A0A3Q0KQX1_SCHMA Loading...

BED-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KQX1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,873 aa.

>A0A3Q0KQX1_SCHMA|A0A3Q0KQX1
MTDSQILFPIMTIKGHEMDNTLHMDESVDNENYIGDSCDNLDDDNISFTSNDLSQKVNHHEHEHEHQDTRDQHQFNVQQQQQNSPYNLENEDGPETHNSDEISSNINMTDIKMDTMEDIEKDDNSMNTYQVNSKQQFNDNQSSNCHRQLTKINKLSNSSTSISTSTNTTTTTKACAKKSFVWKYFHHPEIKHGIPDRSRTQCVLCDSQLAFNASGTTTTMLNHLKSRHGEIAEQEETLRRLNRDSRKNQLRNMILSSNDCKLSPTSINSNSTIIKNNEMINSFNENTQTIRNLSTNLINGNNKYNRGTLSVGQRGRPPGSGRRQKSMNCSKLNENVDFLNQDTITNGNLKAEGNAVYPVTNYQTTLSDQQKAFLNEMLLSAAAAVSASTVSVSKSDNRLNGSFINQTSSPAATSSPSFFASPTLLGQLPSNDSNPTKSPFTLLNNITGLPNIPFQLPVNTPQINCSSGTTTSIPTSGIHELSPSSSSGLGLSSVNSPFETSTITVTTLANTVFMSSPSSSSSPTNSLGYRSITSPGGCSSGGQSNINIRNNLLSNMRTTHKSQEFNHLHTNNILMNGQSLNLMDSCNSGSQEVTNLPLNMQNITQDKEKFLNLSNENNENIFNLTQLNKTPNSSTILSTGINNNSINSLPMLNCPSDMMMSALGSFVHLMPSVNNLLTETTTNNFTNSSMNNGTTMNRIDEINQSNHFTNQLSKSMLQSISPQHHHQHQQQLLMANAWLTNLTNGKFSNYPNNLIDPCVMFNLLNLNSNTIGNKLNNEISNILPSTDLNCSENLKFKTNTTDLNSVNINSINSDNINTTNITTISNNITYPINWSNFNNSIPINVNNLKINNNNNEISHPATSTFNNFTSSFQLNNNNETMIGMNLTNNQQIKLNKSIQDGNTNVFTSSSSPSSSSSSSSSSSMNNEAESYPLMSRISLSNNNNNNGYGNINNSNNMSCLFPNLTYPSLGQDKFSYMNTLPFMMNGINKVLDMKNQEITDLSLDLSTTSTTINNNNIDNNGVTMVTNSNNNNINGNDYKYNNNTNDCNFDIIKNIKTNDTKNCILDMRSNNQLMNDKYSSIEQQMINSSLYSSTNYTVSTKRKRSRPVYISPEKELKRSSIEFNQSFDGEDMKMKRYHTEKTNLSINNHNNSDSCIDDKKSCWKIKQNVQNISEHVIEEHDSDEEHRLTINQSSSCSSSSSSSSMSLTRNTFMQSKSNNTVTRNQLSYHVAQYLIKDMKPPETIGGEGFRKLLSLFTNHKLPTIKEISEITFPELYTEIEDHLNELLDNRMIQSNSFNPAFSFSIELWNTINNDNNNSNLSKDCIVTENKQQFANIGIHYNSSQPTITHNYLYKSIQNPNRTNLLEVMDKCRQRLLSKLQLTTNENMSGISSTSLEVNTITTTSTTSPSSSLSSFETTSTGISDKNINIKTPEQSQSLMKVMQWPVPIITNDVEFLKHLIDETESNIIILPCLVSELSKALLVGLNTDIIRNLIKNLLKVYQCKTMKNITEYSVNKLSLDEVKKSNCCKAVYDLLNWYLNEYSVDKDNSENNNHEIIINGDKENTNENDLDEIDLQNVKGIISVFDTIGQTLEFIHKKDLILTGSMIKPILTNLCDIRLAHESSNLTIVEEFKSTIVSYLMNSFPNNGAVYETLWIASLLDPRFKSQVQDKKPTVIKLLRMKVDAMFTQSPTSNVCNNTPKSNSDNHLPTETTTSSVDSTTISNKHSGLETVFGLNYFPRTSLSEVDRYLREDPIGLEEDPYQWWQTKSSNYPNLSLLAMYYLAISLICITPERLKSLDHSEANNQSIPDIKLNLLTSIYGSKNKGQFPSTSLLLLDLPNINDVFGQGRLNIHNDNQIMYNYLWHNWHLTKFV
Structure Viewer
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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M30.8Very low30.7Very low233 Ų233151.2 Ų151.2100%1.14879%0.792SS**  0120.80-68.2165.586.300106.5
2T33.9Very low30.3Very low120 Ų120147.3 Ų147.374%0.73678%0.78SS**  trans44.892.2158.456.80000119.8
3D33Very low30.5Very low137 Ų137147.5 Ų147.573%0.73378%0.779SS**  73112.5118-46.2-35.5000123
4S28.6Very low30.2Very low98 Ų98151.6 Ų151.669%0.68579%0.786SS**  37.1140.595.5-54.30000118.7
5Q32.4Very low29.9Very low167 Ų167146.4 Ų146.478%0.7879%0.785SS**  cis-155.51439.8-103.5150.44.500108
6I32.9Very low29.9Very low150 Ų150148.8 Ų148.877%0.76979%0.789SS**  71118.584.2-59.9-179.5000117
7L27.7Very low29.7Very low148 Ų148148.5 Ų148.578%0.77578%0.783SS**  trans20.6130156.5-83.761.6000124.3
8F24.3Very low29.7Very low191 Ų191147.9 Ų147.984%0.83878%0.777SS**  18.2156.9110.6-74.8-83.8000120.6
9P41.7Very low29.8Very low96 Ų96146.3 Ų146.362%0.62377%0.769SS**  cis-146.2-159.5-46.439.2-17.3000114
10I25.9Very low29.9Very low155 Ų155145 Ų14580%0.79576%0.762SS**  trans83.7157.3162.6-64.2157.3000116.4
11M26Very low29.9Very low168 Ų168143 Ų14383%0.82876%0.756SS**  trans82.9141.7-172.3-60.5-162.1166.600114.7
12T26.8Very low30Very low105 Ų105140 Ų14064%0.64474%0.744SS**  cis-164.5170.6-8.815.90000110.5
13I32.5Very low29.8Very low150 Ų150141.2 Ų141.277%0.76974%0.741SS**  trans46106.9141-63.9162.9000116.8
14K26.2Very low29.6Very low204 Ų204141.1 Ų141.189%0.88774%0.738SS**  73.2111.867.6-171-175.8-174.4179.30114.2
15G25.5Very low29.4Very low74 Ų74142.6 Ų142.676%0.76374%0.738SS**  trans111.3112.2175.400000111.9
16H30.6Very low29.4Very low185 Ų185143.5 Ų143.586%0.85674%0.742SS**  -144.5165.571.2-139-86.5000115
17E27.1Very low29.2Very low144 Ų144141.1 Ų141.167%0.67374%0.739SS**  trans-109.9157.2178.4-141.5174.5-178.500109.9
18M29.5Very low29.4Very low138 Ų138139.6 Ų139.668%0.6874%0.735SS**  trans63.4160.1163.1-58.1176.5-176.200117.7
19D30.2Very low29.8Very low117 Ų117136.2 Ų136.263%0.62673%0.726SS**  cis-162.5155.2-36.1-103.2-27000108.3
20N32.3Very low29.2Very low120 Ų120137.8 Ų137.864%0.64273%0.729SS**  trans175.9113.6135.5-90.7-49.9000108.2
21T30.7Very low29.6Very low103 Ų103138.1 Ų138.163%0.63273%0.727SS**  68.310371.6-550000112.5
22L32.5Very low30.1Very low169 Ų169134.9 Ų134.989%0.88571%0.713SS**  -157.7160.4117.8-106.5169.2000111.3
23H30.1Very low30.5Very low147 Ų147138.4 Ų138.468%0.68172%0.716SS**  trans-102.9158.4-167.5-103.6-79.4000112.1
24M27.6Very low30.6Very low135 Ų135137.7 Ų137.767%0.66571%0.712SS**  trans52.8157140.4-64.3-4-153.500119.5
25D25.7Very low30.7Very low129 Ų129130.8 Ų130.869%0.6970%0.699SS**  cis-162.6129.7-25.1-102.9-27.5000103.8
26E31.7Very low31.1Very low186 Ų186135.1 Ų135.187%0.86971%0.705SS**  trans-161.1113.3150.3-119.5167.3-17000111.8
27S29.5Very low31.5Very low99 Ų99131.3 Ų131.369%0.69270%0.699SS**  trans-16.6153.8131.667.90000115.4
28V31.1Very low31.5Very low116 Ų116129.4 Ų129.470%0.70370%0.7SS**  cis-173.7176.312.6103.30000109.2
29D32.1Very low31.5Very low121 Ų121129.5 Ų129.565%0.64770%0.704SS**  trans64115.3162.5-76.9-1.6000118.4
30N28.9Very low31.6Very low129 Ų129131.4 Ų131.469%0.6971%0.714SS**  89.4150.396.6-65-23.7000111.6
31E35Very low31.7Very low161 Ų161132.9 Ų132.975%0.75272%0.721SS**  cis-145.2140.936-92.6-164.8174.800115.1
32N37Very low31.7Very low100 Ų100135 Ų13554%0.53573%0.728SS.*  71.6146.1128.6-57.1-14.8000121.2
33Y35.6Very low31.9Very low179 Ų179133.8 Ų133.870%0.70272%0.723SS**  cis-148.4146.3-4.3-121.9-157.3000108.5
34I33Very low32.1Very low135 Ų135133 Ų13369%0.69272%0.724SS**  53.5136.288.3-54.4-170.7000113.3
35G28.2Very low32.1Very low59 Ų59132.8 Ų132.861%0.60873%0.725SS**  cis128.1147.63.100000112
36D35.4Very low32.7Very low166 Ų166133.3 Ų133.389%0.88873%0.727SS**  trans-160.9145178.5-96.3-47.4000107.6
37S37.3Very low32.5Very low105 Ų105129.2 Ų129.273%0.73472%0.719SS**  cis-153.9154.3-5.1-171.20000108.6
38C28Very low32.3Very low103 Ų103132.6 Ų132.670%0.69672%0.721SS**  trans-128.6163.8-174.9-56.50000112.1
39D30.1Very low32.2Very low141 Ų141132.4 Ų132.475%0.75472%0.721SS**  trans58.9131.6156-46.1-37.6000118
40N32.2Very low32.1Very low157 Ų157129.5 Ų129.584%0.8471%0.709SS**  -162172.169.7-89.3-87.3000112.3
41L34.2Very low32.1Very low151 Ų151131.2 Ų131.279%0.79172%0.719SS**  trans-92159.5169.2-63.9166.7000110.6
42D30Very low31.9Very low146 Ų146128.6 Ų128.678%0.78171%0.71SS**  177166.1117.3-89.2-19.1000112.6
43D36.2Very low31.4Very low145 Ų145130.5 Ų130.578%0.77572%0.719SS**  trans68.8128.1159.8-66.4-21.6000123.8
44D35.7Very low31.1Very low129 Ų129125.9 Ų125.969%0.6971%0.713SS**  trans69.797.4139.3-82.9-20.2000123.9
45N28.1Very low31Very low131 Ų131127.4 Ų127.470%0.70172%0.717SS**  65.6155.999.8-92.9-53.6000123.2
46I37Very low31.2Very low141 Ų141133 Ų13372%0.72373%0.725SS**  trans64.498153.3-66.7159.2000116.3
47S27.2Very low31.1Very low100 Ų100130.8 Ų130.870%0.69972%0.717SS**  55.6153.7117.4105.40000120.2
48F25.9Very low30.8Very low169 Ų169131.3 Ų131.374%0.74171%0.712SS**  cis-168.6168.9-4.9-137.7-53.6000104.1
49T28.9Very low31Very low113 Ų113134.5 Ų134.569%0.69372%0.716SS**  trans61.6151.5153.8560000118.5
50S31.1Very low30.9Very low59 Ų59136 Ų13641%0.41372%0.718SS.*  cis-159144.6-18.8-1050000111.1D52S50-D52 WeakPolarHBondContact CB-OD1 3.49Å; S50-D52 PolarHBondContact OG-OD1 2.93Å
51N28.8Very low30.8Very low166 Ų166135.9 Ų135.989%0.88871%0.713SS**SBend-149.7118.795.9-83.1-24.6000109
52D29Very low30.6Very low106 Ų106135.7 Ų135.757%0.56771%0.707SS**  cis-159.1130.9-19-157.417.3000109.4S50S50-D52 WeakPolarHBondContact CB-OD1 3.49Å; S50-D52 PolarHBondContact OG-OD1 2.93Å
53L27.2Very low30.6Very low139 Ų139135.5 Ų135.573%0.72870%0.702SS**  trans58.5167.9173.8-84.271000116.8
54S28.6Very low30.4Very low82 Ų82135 Ų13557%0.57370%0.695SS**  cis-168.3169.6-34.4-106.40000110.9
55Q32.7Very low30.3Very low168 Ų168135.9 Ų135.979%0.78569%0.694SS**  trans88.4136.7160.9-51.7-155.241.800118.9
56K31.3Very low30.5Very low175 Ų175137.5 Ų137.576%0.76170%0.697SS**  cis-174159.9-23.9-125.4177.5180-178.60112
57V33.1Very low30.2Very low120 Ų120137.5 Ų137.573%0.72770%0.695SS**  trans74137.9148.1158.70000119.5
58N31.3Very low30.5Very low117 Ų117138.5 Ų138.563%0.62669%0.692SS**  cis-174163.5-33.7-119.235.3000113.1
59H33Very low30.7Very low170 Ų170135.8 Ų135.879%0.78769%0.69SS**  trans83.8139.2151.3-69.4-54.3000124.3
60H27.6Very low30.8Very low172 Ų172140.6 Ų140.680%0.79670%0.695SS**  trans-77.5-172.9161.5-74.9-20.6000111
61E29.2Very low30.7Very low155 Ų155143.8 Ų143.872%0.72471%0.707SS**  cis-173.6170.937.3-150.7165.9-13000113.5
62H30.3Very low30.6Very low146 Ų146143.9 Ų143.968%0.67670%0.703SS**  trans64.2137.4171.2-75.7-94.3000116.5
63E29.5Very low30.5Very low143 Ų143147 Ų14767%0.66871%0.713SS**  cis-176.5169.921.2-136.2160.7-145.600113.6
64H33.6Very low30.6Very low134 Ų134148.2 Ų148.262%0.6272%0.715SS**  trans69.9111.1157.6-74.3-70.5000124.5
65E31.7Very low30.3Very low147 Ų147153.3 Ų153.369%0.68773%0.728SS**  trans75.1126.6131.1-70.2168.3-157.400120.4
66H32.5Very low30.1Very low165 Ų165151.4 Ų151.476%0.76472%0.723SS**  67.7136.459.7-67.4-51.6000112.4
67Q32.4Very low29.8Very low142 Ų142147.6 Ų147.666%0.66471%0.714SS**  cis-158.8170.7-3.7-14937.344.700106.1
68D33.1Very low29.4Very low120 Ų120147.9 Ų147.964%0.64271%0.707SS**  cis-150.917513.6-163.118.4000111.8
69T30.1Very low29.1Very low113 Ų113147.8 Ų147.869%0.69370%0.703SS**  trans-95.9139.2176.651.20000114.2
70R31.6Very low29Very low213 Ų213149.2 Ų149.280%0.80471%0.71SS**  trans-170.5128.4143.7-109.9-170177.197.82.7116.1
71D28.3Very low28.8Very low126 Ų126147.3 Ų147.367%0.67470%0.702SS**  trans47.1136130.8-55.1-15.7000124.5
72Q26.8Very low28.8Very low169 Ų169147.8 Ų147.879%0.7970%0.704SS**  trans79.1126.9147.4-74.7-178.620.800123.3
73H26.4Very low28.8Very low171 Ų171146.9 Ų146.979%0.79270%0.704SS**  trans64.7167.2142.6-81.7-70000121.6
74Q29.1Very low28.7Very low164 Ų164144.5 Ų144.577%0.76670%0.703SS**  trans66.9145.5175.7-68.1179.1-4.700115.7
75F23.6Very low28.6Very low190 Ų190143.8 Ų143.883%0.83371%0.71SS**  cis75.650.214.2-135.4-51.9000115.5
76N26.9Very low28.5Very low128 Ų128147.7 Ų147.768%0.68472%0.72SS**  trans-153.3138.3142.7-88.4-45.2000107.1
77V25.4Very low28.3Very low94 Ų94146.7 Ų146.757%0.5772%0.721SS**  cis75.2115.334.6-177.50000112.4
78Q24.5Very low28Very low127 Ų127145.9 Ų145.959%0.59372%0.72SS**  trans66.1156.4169.1-66.4171.2-6.400114.6
79Q26.2Very low27.7Very low114 Ų114147.4 Ų147.453%0.53372%0.724SS.*  cis-155151.5-9.5-126164.339.600109
80Q29.5Very low27.9Very low200 Ų200148.5 Ų148.594%0.93573%0.725SS**  trans-148.894.6134.7-119.8164.461.300109.9
81Q25Very low28Very low133 Ų133146 Ų14662%0.62172%0.723SS**  trans-68.9131.9157.2-66.6174.7-17.100107.5
82Q27.9Very low28.3Very low164 Ų164147.3 Ų147.377%0.76673%0.729SS**  -172.7153.7120.5-107.1175.247.100113.6
83N31.5Very low28.4Very low128 Ų128142.5 Ų142.568%0.68473%0.725SS**  trans67.383.8154.9-54.2-19.9000118.4
84S26.5Very low29.1Very low93 Ų93139.3 Ų139.365%0.6572%0.72SS**  52.3134.2117-160.80000120.4
85P31.1Very low29.2Very low119 Ų119139.6 Ų139.677%0.77372%0.721SS**  trans-64.1154.215932-34.9000110.6
86Y31.4Very low29.5Very low228 Ų228135 Ų13589%0.89471%0.709SS**  trans-97.6158171.9-89-93.4000111.4
87N26.5Very low29.7Very low145 Ų145136.4 Ų136.478%0.77571%0.711SS**  trans-134.8155.5-176.5-151.6-6.7000109.8
88L27.7Very low29.7Very low125 Ų125138 Ų13865%0.65472%0.716SS**  trans74.8138.2179.1-83.766.5000119.1
89E26.8Very low29.8Very low152 Ų152135.9 Ų135.971%0.7172%0.715SS**  trans60.4105.8146-64.6170.9-16700117.4
90N33Very low29.8Very low136 Ų136137 Ų13773%0.72773%0.725SS**  -173.4172.263.6-84.6-67.4000114
91E35Very low29.7Very low160 Ų160135.3 Ų135.375%0.74872%0.717SS**  trans57.9108.5165.1-51.7-698600119.3
92D33.5Very low30Very low153 Ų153135.9 Ų135.982%0.81872%0.723SS**  trans56121.5131.3-63.42.9000123.4
93G28.6Very low29.8Very low68 Ų68133 Ų13370%0.70172%0.721SS**  trans-95.8-129.9150.700000110.5
94P42.1Very low29.7Very low105 Ų105131.8 Ų131.868%0.68272%0.723SS**  cis-141.8-163-1.243.1-23.3000114
95E30.4Very low29.7Very low169 Ų169134.3 Ų134.379%0.7973%0.729SS**  trans71.4151.4151.3-71.4178.8-150.100120
96T29.5Very low29.5Very low93 Ų93135.9 Ų135.957%0.57173%0.729SS**  cis-165.3169.3-18.725.30000112.1
97H31.1Very low29.2Very low158 Ų158131.5 Ų131.573%0.73172%0.721SS**  trans65.3170.8142.2-73.3-37.1000120.3
98N25.6Very low29.2Very low127 Ų127132.7 Ų132.768%0.67972%0.724SS**  -167.1155.4-53.5-114.913.2000109.8
99S27.1Very low29.4Very low83 Ų83131.9 Ų131.958%0.5872%0.724SS**  trans53.5170.614962.10000122
100D26.8Very low29.5Very low139 Ų139132.1 Ų132.174%0.74373%0.731SS**  trans72.4143.1153.8-50.9-35.6000118.9
101E27.1Very low29.3Very low164 Ų164131.7 Ų131.777%0.76673%0.727SS**  cis-156.2-155.2-18.5-141.4-161.3165.300111.8
102I30.5Very low28.9Very low144 Ų144132.9 Ų132.974%0.73873%0.73SS**  trans-64.5159.3-179.4-72166000113.8
103S24.6Very low28.7Very low103 Ų103132.5 Ų132.572%0.7273%0.725SS**  trans-42.2142.6-179-52.40000119
104S28.4Very low28.7Very low103 Ų103134.9 Ų134.972%0.7272%0.722SS**  trans84.1105141.765.40000121.7
105N26.4Very low28.3Very low147 Ų147135.9 Ų135.979%0.78673%0.726SS**  86.9115.6127.9-77.1-0.5000122.3
106I27.5Very low28.2Very low151 Ų151134.5 Ų134.577%0.77472%0.721SS**  trans98.699.6143.3-58.8156.1000118
107N26Very low28.4Very low137 Ų137137.5 Ų137.573%0.73373%0.729SS**  trans28.3131.3143.1-65.70.6000122.9
108M26.1Very low28.5Very low170 Ų170136.1 Ų136.184%0.83773%0.727SS**  trans70.4149.7137.9-88.3145.616600118.6
109T30.6Very low28.8Very low107 Ų107136.1 Ų136.166%0.65673%0.725SS**  cis-168.8156.6-18.111.80000108.7
110D28.8Very low29Very low157 Ų157139.2 Ų139.284%0.8473%0.731SS**  trans-107.3110.1151.3-87.4-50.3000108.3
111I30.1Very low29.3Very low128 Ų128139.7 Ų139.766%0.65673%0.726SS**  88.395.960.9-68.2170.2000113.4
112K26.9Very low29.5Very low184 Ų184138.6 Ų138.680%0.873%0.725SS**  -173.7142.3118.5-94.8169.5-173.7171.40108.1
113M28Very low29.4Very low145 Ų145138.7 Ų138.771%0.71473%0.727SS**  cis-150.8173.19.1-121.4-35-154.100111.1
114D30Very low29.5Very low119 Ų119140.7 Ų140.764%0.63673%0.73SS**  trans73104.9153.7-56.8-24.2000122.8
115T33.4Very low29.4Very low126 Ų126141 Ų14177%0.77373%0.733SS**  trans63.2145.5131.258.40000122
116M28.6Very low29.2Very low139 Ų139141.7 Ų141.769%0.68573%0.733SS**  cis-171.2164-22.6-125.9167.368.600108.3
117E32.2Very low29Very low157 Ų157141 Ų14173%0.73473%0.731SS**  trans66.4145160.9-68.2167.3-18000117.2
118D33.1Very low29.1Very low128 Ų128140.9 Ų140.968%0.68474%0.735SS**  cis-164.4162.9-10.5-128.3-9000114.1
119I32.9Very low29Very low127 Ų127142.2 Ų142.265%0.65173%0.732SS**  trans72.1119.5142.6-73.7165.3000123.5
120E31.8Very low28.8Very low148 Ų148145.4 Ų145.469%0.69274%0.74SS**  trans66151.2144.4-73.5-170.2150.600123
121K32.9Very low28.6Very low149 Ų149143.3 Ų143.365%0.64873%0.732SS**  cis-171.8166.7-24.6-124.3-179.2-161.4154.10113.3
122D31.1Very low28.4Very low141 Ų141143.6 Ų143.675%0.75474%0.735SS**  trans68157.4150.7-60.8-14.1000122.3
123D27.8Very low28.5Very low146 Ų146140 Ų14078%0.78173%0.733SS**  trans-114.1174.3-161.1-69.8-63.6000116.1
124N26.7Very low28.5Very low145 Ų145141.7 Ų141.778%0.77574%0.736SS**  trans89.9119.4145.6-75.8-59.5000122.6
125S25.6Very low28.4Very low111 Ų111143.3 Ų143.378%0.77674%0.74SS**  trans91.5129.8134.480.20000122.6
126M22.8Very low28.2Very low160 Ų160144.8 Ų144.879%0.78874%0.738SS**  trans54.4134.9141.7-87.9-66.5177.200123.9
127N22.9Very low28.2Very low138 Ų138145.4 Ų145.474%0.73874%0.738SS**  trans64.5130158.2-61.2-47.5000119
128T29.8Very low28.2Very low134 Ų134144.1 Ų144.182%0.82274%0.736SS**  174.1155.9100.6-69.50000112.5
129Y22.8Very low28.2Very low197 Ų197143.3 Ų143.377%0.77373%0.731SS**  trans-63.3164.1175.8-74-99000116.5
130Q25.7Very low28.1Very low175 Ų175142.7 Ų142.782%0.81873%0.729SS**  trans69.6162.3141.5-81.8176.914.300119.2
131V26Very low28.1Very low112 Ų112142.9 Ų142.968%0.67973%0.73SS**  cis-162.3160.1-38102.90000110.7
132N24.7Very low27.9Very low135 Ų135140.3 Ų140.372%0.72273%0.731SS**  trans2.6130.4163.7-50-37.5000120.9
133S29Very low28.1Very low108 Ų108138.4 Ų138.476%0.75573%0.729SS**  -174.8127.8111.7-820000110.2
134K28.9Very low28.1Very low180 Ų180138.1 Ų138.178%0.78373%0.727SS**  63.7136.176-80.1-170173.1-175.70113.6
135Q27.1Very low28.1Very low153 Ų153135.4 Ų135.472%0.71572%0.718SS**  cis-171.2-178.2-5.7-172.6164.2-10.200108.1
136Q29.7Very low28.4Very low157 Ų157136.8 Ų136.873%0.73471%0.712SS**  trans78.2153.5170.1-58-177.9-3.800115.2
137F29.7Very low28.9Very low153 Ų153137 Ų13767%0.67170%0.704SS**  cis-157.1148.9-16.2-109.6-49.1000104.3
138N31.6Very low29.3Very low129 Ų129138 Ų13869%0.6971%0.705SS**  cis-157.6151.145.8-101.2-9.4000108.3
139D32.6Very low29Very low111 Ų111136.2 Ų136.259%0.59469%0.69SS**  61.1132.274.8-75.59.8000113.3
140N31.3Very low29.2Very low114 Ų114132.2 Ų132.261%0.6169%0.686SS**  cis-149.6135.919.2-100.1-31000112.8
141Q32.2Very low29.4Very low153 Ų153132.1 Ų132.172%0.71568%0.683SS**  71.7127.1101.1-67.3-175.343.200116.3
142S27.9Very low29.5Very low94 Ų94133.4 Ų133.466%0.65768%0.684SS**  78.9148.261109.70000113.1
143S34.3Very low29.5Very low102 Ų102134 Ų13471%0.71369%0.688SS**  cis-144.2166.944.562.70000113.4
144N29.4Very low29.3Very low140 Ų140138.5 Ų138.575%0.74969%0.694SS**  cis65.7148.442.6-120.3-16000111.8
145C26.8Very low29.2Very low87 Ų87138.1 Ų138.159%0.58870%0.699SS**  cis-162.3-168.57.6-160.80000108.6
146H31.8Very low29.1Very low140 Ų140135.9 Ų135.965%0.64870%0.7SS**  156.3161.276.3-116.69.3000108.3
147R32.9Very low29Very low164 Ų164135.9 Ų135.962%0.61971%0.706SS**  cis-172.4148.9-13.5-143-175.1-165.9-173.69.3107.2L149R147-L149 HydrophobicContact CG-CD1 3.83Å
148Q30.8Very low28.7Very low159 Ų159133.4 Ų133.474%0.74371%0.707SS**  168.8154.682.6-80.3-136.738.600108.9
149L23.7Very low28.4Very low97 Ų97133.4 Ų133.451%0.50872%0.717SS.*  cis-168.4148.4-25.4-152.477.7000109.3R147R147-L149 HydrophobicContact CG-CD1 3.83Å
150T26.3Very low28.1Very low114 Ų114134.8 Ų134.870%0.69973%0.73SS**  trans63.9147.8165.760.80000119
151K30.5Very low27.7Very low172 Ų172134.8 Ų134.875%0.74874%0.739SS**  cis-159.6136.5-4.3-118.3168.1-177.51790110.9
152I27.5Very low27.7Very low139 Ų139134.8 Ų134.871%0.71374%0.742SS**  trans43.1133.1132.3-58.9177000119.4
153N26.2Very low27.5Very low149 Ų149135.6 Ų135.680%0.79775%0.748SS**  cis-168.2151.6-15.5-104.5-2.5000108.8
154K24.5Very low27.3Very low202 Ų202135.8 Ų135.888%0.87875%0.745SS**  trans-167.5127.1156.7-122.7-174-177.6-174.50110.4
155L25.4Very low27.1Very low172 Ų172134.9 Ų134.990%0.90175%0.75SS**  trans-169.5173.5155.2-134.572.9000110.5
156S26Very low27.1Very low105 Ų105137.2 Ų137.273%0.73476%0.761SS**  trans67.8143.9-17177.70000114.3
157N27.5Very low26.9Very low158 Ų158138.4 Ų138.485%0.84577%0.773SS**  cis-139.7160.14.2-120.5-9.3000112.8
158S23.5Very low26.5Very low101 Ų101136.6 Ų136.671%0.70678%0.78SS**  trans-102.5139.317352.30000111.7
159S26.2Very low26.3Very low129 Ų129136.1 Ų136.190%0.90279%0.788SS**  trans-166.9142151.6-82.30000109.6
160T25.2Very low26.3Very low139 Ų139137.7 Ų137.785%0.85380%0.802SS**  trans-117.7129.6-169.5-53.70000111.2
161S22.5Very low26.3Very low115 Ų115138.7 Ų138.780%0.80481%0.808SS**  trans-152.3138.6152.260.20000109.4
162I32.6Very low26.2Very low152 Ų152136.8 Ų136.878%0.77981%0.811SS**  trans-137.2122.9171.7-69.9-177.1000107.6
163S23.8Very low26.3Very low112 Ų112139.7 Ų139.778%0.78382%0.818SS**  trans-87.7154.716548.70000110
164T30.2Very low26.3Very low106 Ų106137.6 Ų137.665%0.6582%0.822SS**  trans-129.7123.9172.7430000110.3K394T164-K394 PolarHBondContact OG1-NZ 3.31Å
165S25.7Very low26.4Very low121 Ų121132.8 Ų132.885%0.84681%0.813SS**  trans-116.7154.9167.951.20000109.4
166T26.8Very low26.6Very low135 Ų135128.6 Ų128.683%0.82880%0.802SS**  trans-88.4147.8-172.142.30000112.7
167N27.2Very low27.2Very low166 Ų166134.1 Ų134.189%0.88881%0.813SS**  trans-157.2153145.7-118.9-34.8000111.5
168T24.7Very low28.8Very low125 Ų125134.2 Ų134.277%0.76781%0.806SS**  trans-101.8138.5-167.849.40000113.6
169T25.4Very low31.4Very low149 Ų149131.1 Ų131.191%0.91479%0.785SS**  trans-161.6146.7148.2-10000111.6
170T24Very low34.4Very low130 Ų130126.1 Ų126.180%0.79875%0.747SS**  trans-100.6127.5-172.151.80000113.2
171T26.7Very low37.5Very low135 Ų135119.5 Ų119.583%0.82871%0.706SS**  trans-134.393.9162.257.80000111.9
172T27.8Very low40.8Very low133 Ų133117.4 Ų117.482%0.81668%0.681SS**  trans-78139.3171.950.70000111
173K29.5Very low43.5Very low199 Ų199116.1 Ų116.187%0.86567%0.669SS**  trans-112.5120.5177.5-86.1-179.6177.1170.70112.5
174A26.4Very low46.8Very low106 Ų106112.4 Ų112.488%0.87664%0.638SS**  trans58.668.315200000119.3
175C26.5Very low49.9Very low101 Ų101107.6 Ų107.668%0.68261%0.609SS**  trans-96.3166.1150.1-171.40000110.7
176A30.5Very low53Low83 Ų83105.3 Ų105.369%0.68658%0.584SS**SBendtrans-52.2146.4-169.400000114.6K178A176-K178 VanDerWaalsContact C-N 3.33Å; A176-K178 PolarHBondContact O-N 3.18Å
177K39.6Very low56Low221 Ų221100.9 Ų100.996%0.96155%0.554SS**  trans-39.572.6-167.4-62.6168.4-176.5160.40116.9
178K60.5Low58.6Low160 Ų16093.7 Ų93.770%0.69652%0.517SS*.  trans-60.9143.8166.5-69.5-177.6-178.4179.10109.7A176A176-K178 VanDerWaalsContact C-N 3.33Å; A176-K178 PolarHBondContact O-N 3.18Å
179S78.6Confident61.2Low36 Ų3694.9 Ų94.925%0.25251%0.513SS..  trans-62.1145.1175.9-170.30000110.6V181 W182S179-V181 PolarHBondContact O-N 2.94Å; S179-W182 PolarHBondContact O-N 3Å
180F89Confident63.1Low24 Ų2492.5 Ų92.511%0.10549%0.494CS..G310 helixtrans-54.4-26178.580.9-77.7000113.2W182 K183 Y184 L221 L224 E235F180-W182 PolarHBondContact O-N 3.36Å; F180-K183 WeakPolarHBondContact O-CB 3.08Å; F180-K183 PolarHBondContact O-N 2.82Å; F180-Y184 HydrophobicContact CD2-CE2 4.19Å; F180-L221 HydrophobicContact CE1-CD1 3.87Å; F180-L221 HydrophobicContact CZ-CD1 3.57Å; F180-L224 HydrophobicContact CE2-CD1 4.18Å; F180-E235 HydrophobicContact CB-CG 4.19Å; F180-E235 HydrophobicContact CD2-CB 3.78Å; F180-E235 HydrophobicContact CD2-CG 3.52Å; F180-E235 HydrophobicContact CE2-CB 3.83Å; F180-E235 HydrophobicContact CE2-CG 4.11Å; F180-E235 HydrophobicContact CG-CG 4.04Å
181V89.5Confident64.2Low0 Ų095.2 Ų95.20%050%0.495CS..G310 helixtrans-49.8-41.1176.7177.40000110.8S179 K183 Y184 F185 M220 L221 L224S179-V181 PolarHBondContact O-N 2.94Å; V181-K183 PolarHBondContact O-N 3.26Å; V181-Y184 PolarHBondContact O-N 2.92Å; V181-F185 HydrophobicContact CG1-CD2 3.71Å; V181-F185 HydrophobicContact CG1-CE2 3.76Å; V181-F185 WeakPolarHBondContact O-CD2 3.47Å; V181-M220 HydrophobicContact CG1-CB 3.27Å; V181-M220 HydrophobicContact CG1-CE 4.33Å; V181-M220 HydrophobicContact CG1-CG 4.37Å; V181-M220 HydrophobicContact CG1-SD 4.32Å; V181-L221 HydrophobicContact CG2-CB 4Å; V181-L221 HydrophobicContact CG2-CD1 4.02Å; V181-L224 HydrophobicContact CB-CD1 4.36Å; V181-L224 HydrophobicContact CG1-CD1 4.11Å; V181-L224 HydrophobicContact CG2-CD1 4.27Å
182W91.4Very high65.4Low72 Ų7297.5 Ų97.527%0.27350%0.496SS..G310 helixtrans-64.2-7.9177.7-68.4113.5000115.4S179 F180 Y184 F185 H187 T200 F211 M220S179-W182 PolarHBondContact O-N 3Å; F180-W182 PolarHBondContact O-N 3.36Å; W182-Y184 PolarHBondContact O-N 3.49Å; W182-F185 HydrophobicContact CE3-CB 4.33Å; W182-H187 AromaticContact CH2-CE1 3.99Å; W182-T200 HydrophobicContact CH2-CG2 3.79Å; W182-T200 HydrophobicContact CZ3-CG2 3.77Å; W182-F211 HydrophobicContact CH2-CD2 4.19Å; W182-F211 AromaticContact CH2-CE2 3.61Å; W182-F211 HydrophobicContact CH2-CE2 3.61Å; W182-F211 HydrophobicContact CH2-CZ 4.22Å; W182-F211 AromaticContact CZ2-CE2 3.7Å; W182-F211 HydrophobicContact CZ2-CE2 3.7Å; W182-F211 HydrophobicContact CZ2-CZ 4.15Å; W182-M220 HydrophobicContact CD2-CE 4.35Å; W182-M220 HydrophobicContact CE3-SD 4.26Å; W182-M220 HydrophobicContact CH2-CE 3.9Å; W182-M220 HydrophobicContact CH2-SD 4.07Å; W182-M220 HydrophobicContact CZ2-CE 3.67Å; W182-M220 HydrophobicContact CZ2-SD 4.4Å; W182-M220 HydrophobicContact CZ3-CE 4.32Å; W182-M220 HydrophobicContact CZ3-SD 3.99Å
183K90.6Very high67Low125 Ų12593.1 Ų93.154%0.54348%0.477SS..G310 helixtrans-70.5-14.1168-162.6-173.7-177.2-1640112.1F180 V181 E235F180-K183 WeakPolarHBondContact O-CB 3.08Å; F180-K183 PolarHBondContact O-N 2.82Å; V181-K183 PolarHBondContact O-N 3.26Å; K183-E235 WeakPolarHBondContact CD-OE1 3.48Å; K183-E235 VanDerWaalsContact NZ-CD 3.27Å; K183-E235 IonicContact NZ-OE1 2.72Å; K183-E235 PolarHBondContact NZ-OE1 3.37Å; K183-E235 IonicContact NZ-OE2 3.89Å; K183-E235 PolarHBondContact NZ-OE2 3.1Å
184Y93.3Very high68.1Low33 Ų3387.2 Ų87.213%0.12945%0.454CS..SBendtrans-129.39.3-174.8-51.9-71000113.5F180 V181 W182 C202 V203 L204 L224 I231F180-Y184 HydrophobicContact CD2-CE2 4.19Å; V181-Y184 PolarHBondContact O-N 2.92Å; W182-Y184 PolarHBondContact O-N 3.49Å; Y184-C202 WeakPolarHBondContact O-CA 3.21Å; Y184-C202 PolarHBondContact O-SG 2.92Å; Y184-V203 PolarHBondContact O-N 3.23Å; Y184-V203 VanDerWaalsContact O-N 3.09Å; Y184-L204 HydrophobicContact CD1-CD1 3.73Å; Y184-L204 HydrophobicContact CD1-CD2 4.19Å; Y184-L204 HydrophobicContact CD1-CG 4.15Å; Y184-L204 HydrophobicContact CG-CD1 4.04Å; Y184-L224 HydrophobicContact CD2-CD1 3.92Å; Y184-L224 HydrophobicContact CD2-CD2 3.97Å; Y184-L224 HydrophobicContact CG-CD2 4.13Å; Y184-I231 HydrophobicContact CD1-CG2 4.15Å; Y184-I231 HydrophobicContact CD2-CG2 4.42Å; Y184-I231 HydrophobicContact CE1-CG2 3.59Å; Y184-I231 HydrophobicContact CE2-CG2 3.87Å; Y184-I231 VanDerWaalsContact CZ-CG2 3.42Å
185F93.8Very high70.4Confident6 Ų684.7 Ų84.73%0.02643%0.429CS..EExtended strand (participates in β ladder)trans-142.4141.5174.9-63.8-96.8000111.8V181 W182 Q201 C202 L209 M220 H223 L224V181-F185 HydrophobicContact CG1-CD2 3.71Å; V181-F185 HydrophobicContact CG1-CE2 3.76Å; V181-F185 WeakPolarHBondContact O-CD2 3.47Å; W182-F185 HydrophobicContact CE3-CB 4.33Å; F185-Q201 CarbonylContact C-O 3.56Å; F185-Q201 WeakPolarHBondContact CA-O 3.33Å; F185-C202 HydrophobicContact CD1-CB 3.75Å; F185-C202 HydrophobicContact CE1-CB 3.41Å; F185-C202 VanDerWaalsContact CE1-CB 3.41Å; F185-C202 HydrophobicContact CZ-CB 4.03Å; F185-L209 HydrophobicContact CD1-CD1 4.24Å; F185-L209 HydrophobicContact CE1-CD1 3.53Å; F185-L209 HydrophobicContact CZ-CD1 4.46Å; F185-M220 HydrophobicContact CB-SD 3.8Å; F185-M220 HydrophobicContact CD1-CB 4.26Å; F185-M220 HydrophobicContact CD1-CG 3.83Å; F185-M220 HydrophobicContact CD1-SD 4.14Å; F185-M220 HydrophobicContact CD2-CB 3.82Å; F185-M220 HydrophobicContact CD2-CG 4.11Å; F185-M220 HydrophobicContact CD2-SD 4.11Å; F185-M220 HydrophobicContact CE1-CB 4.06Å; F185-M220 HydrophobicContact CE1-CG 3.97Å; F185-M220 HydrophobicContact CE2-CB 3.62Å; F185-M220 HydrophobicContact CE2-CG 4.25Å; F185-M220 WeakPolarHBondContact CE2-O 3.21Å; F185-M220 HydrophobicContact CG-CB 4.16Å; F185-M220 HydrophobicContact CG-CG 3.92Å; F185-M220 HydrophobicContact CG-SD 3.75Å; F185-M220 HydrophobicContact CZ-CB 3.74Å; F185-M220 HydrophobicContact CZ-CG 4.18Å; F185-M220 VanDerWaalsContact CZ-O 3.29Å; F185-M220 WeakPolarHBondContact CZ-O 3.17Å; F185-H223 HydrophobicContact CE1-CB 4.44Å; F185-H223 AromaticContact CE1-CD2 3.87Å; F185-H223 HydrophobicContact CZ-CB 4.03Å; F185-H223 AromaticContact CZ-CD2 3.6Å; F185-L224 HydrophobicContact CE2-CD1 3.9Å; F185-L224 HydrophobicContact CE2-CG 3.9Å; F185-L224 HydrophobicContact CZ-CG 4.44Å
186H90.7Very high72.9Confident73 Ų7381.3 Ų81.334%0.33840%0.404SS..EExtended strand (participates in β ladder)trans-124.1177.9167.764.799.7000110.4T200 Q201H186-T200 CarbonylContact O-C 3.52Å; H186-T200 VanDerWaalsContact O-CA 3.3Å; H186-T200 WeakPolarHBondContact O-CA 3.42Å; H186-Q201 PolarHBondContact N-O 3.19Å; H186-Q201 PolarHBondContact O-N 2.79Å
187H90.4Very high75.3Confident41 Ų4183.8 Ų83.819%0.1940%0.396CS..PPolyproline II helixtrans-91.4136.9162.1-66.9-45.2000108W182 P195 R199W182-H187 AromaticContact CH2-CE1 3.99Å; H187-P195 HydrophobicContact CB-CB 3.62Å; H187-R199 PolarHBondContact ND1-O 3.27Å
188P81.3Confident77.2Confident16 Ų1676.3 Ų76.310%0.10437%0.371CS..PPolyproline II helixtrans-69.9144.3171.929.1-31.1000110D196 R199P188-D196 HydrophobicContact CG-CB 4.23Å; P188-D196 WeakPolarHBondContact O-CB 3.17Å; P188-D196 PolarHBondContact O-N 2.93Å; P188-R199 HydrophobicContact CG-CB 4.12Å
189E80.4Confident78.3Confident149 Ų14974.5 Ų74.570%0.69636%0.36SS*.EExtended strand (participates in β ladder)trans-84.8137.8179.3-72.1171.1-155.400111.7
190I65.1Low78.8Confident100 Ų10072.8 Ų72.851%0.51335%0.348SS..EExtended strand (participates in β ladder)trans-86.2154.9165-53.2178.2000107.2H192 G193 I194 D196I190-H192 PolarHBondContact O-N 2.79Å; I190-G193 PolarHBondContact O-N 2.82Å; I190-I194 PolarHBondContact N-O 2.91Å; I190-I194 PolarHBondContact O-N 3.18Å; I190-D196 HydrophobicContact CD1-CB 3.98Å; I190-D196 HydrophobicContact CG1-CB 3.99Å
191K46.6Very low79Confident186 Ų18673.2 Ų73.281%0.80935%0.35SS*.THydrogen-bonded Turntrans-44134.5176.2-70.4-172.8174.6-173.30111
192H51.9Low79.3Confident183 Ų18373.2 Ų73.285%0.84735%0.35SS*.THydrogen-bonded Turntrans79.620.4-168.7-40.998.1000116.2I190 I194I190-H192 PolarHBondContact O-N 2.79Å; H192-I194 VanDerWaalsContact C-N 3.33Å; H192-I194 PolarHBondContact O-N 3.48Å
193G61.1Low79.4Confident42 Ų4273.9 Ų73.943%0.43336%0.362SS..THydrogen-bonded Turntrans78.212.5165.900000115.3I190 P195I190-G193 PolarHBondContact O-N 2.82Å; G193-P195 WeakPolarHBondContact O-CD 3.16Å
194I53.9Low79.5Confident74 Ų7471 Ų7138%0.37935%0.353SS..EExtended strand (participates in β ladder)trans-88.7118-178.6-57.2175.9000109.1I190 H192 D196I190-I194 PolarHBondContact N-O 2.91Å; I190-I194 PolarHBondContact O-N 3.18Å; H192-I194 VanDerWaalsContact C-N 3.33Å; H192-I194 PolarHBondContact O-N 3.48Å; I194-D196 PolarHBondContact O-N 2.84Å
195P74.2Confident79.5Confident53 Ų5371.7 Ų71.734%0.34436%0.361SS..EExtended strand (participates in β ladder)trans-71.7125.2-178.124.2-31.9000113.4H187 G193 R197H187-P195 HydrophobicContact CB-CB 3.62Å; G193-P195 WeakPolarHBondContact O-CD 3.16Å; P195-R197 PolarHBondContact O-N 3.46Å
196D78.1Confident79.4Confident31 Ų3176.2 Ų76.217%0.16639%0.386CS..  trans-65.298.3175.1178.611.2000111.4P188 I190 I194 S198 R199P188-D196 HydrophobicContact CG-CB 4.23Å; P188-D196 WeakPolarHBondContact O-CB 3.17Å; P188-D196 PolarHBondContact O-N 2.93Å; I190-D196 HydrophobicContact CD1-CB 3.98Å; I190-D196 HydrophobicContact CG1-CB 3.99Å; I194-D196 PolarHBondContact O-N 2.84Å; D196-S198 VanDerWaalsContact CG-OG 3.24Å; D196-S198 PolarHBondContact O-N 2.92Å; D196-S198 WeakPolarHBondContact OD1-CA 3.19Å; D196-S198 WeakPolarHBondContact OD1-CB 3.2Å; D196-S198 PolarHBondContact OD1-N 2.76Å; D196-S198 PolarHBondContact OD1-OG 3.42Å; D196-S198 PolarHBondContact OD2-OG 2.79Å; D196-S198 VanDerWaalsContact OD2-OG 3.08Å; D196-R199 PolarHBondContact O-N 3.28Å; D196-R199 WeakPolarHBondContact OD2-CD 3.12Å; D196-R199 VanDerWaalsContact OD2-CG 3.27Å; D196-R199 WeakPolarHBondContact OD2-CG 3.31Å; D196-R199 IonicContact OD2-NE 2.68Å; D196-R199 PolarHBondContact OD2-NE 2.71Å
197R80.9Confident79.3Confident134 Ų13474.1 Ų74.151%0.50638%0.38SS..THydrogen-bonded Turntrans-72.6-2.8176.6-65.3-173.1177.9-165.30.3114.2P195 R199 F211P195-R197 PolarHBondContact O-N 3.46Å; R197-R199 VanDerWaalsContact C-N 3.35Å; R197-F211 VanDerWaalsContact O-CD1 3.3Å; R197-F211 WeakPolarHBondContact O-CD1 3.34Å
198S80.1Confident79.3Confident64 Ų6476.8 Ų76.845%0.44839%0.392SS..THydrogen-bonded Turntrans-81.6-14.1170810000112.9D196 F211D196-S198 VanDerWaalsContact CG-OG 3.24Å; D196-S198 PolarHBondContact O-N 2.92Å; D196-S198 WeakPolarHBondContact OD1-CA 3.19Å; D196-S198 WeakPolarHBondContact OD1-CB 3.2Å; D196-S198 PolarHBondContact OD1-N 2.76Å; D196-S198 PolarHBondContact OD1-OG 3.42Å; D196-S198 PolarHBondContact OD2-OG 2.79Å; D196-S198 VanDerWaalsContact OD2-OG 3.08Å; S198-F211 PolarHBondContact O-N 3.27Å
199R83.6Confident79.6Confident122 Ų12277.8 Ų77.846%0.4640%0.397SS..EExtended strand (participates in β ladder)trans-133.9158.2-175-62.5177.7-161.4-127.1-4.7112.6H187 P188 D196 R197 L209H187-R199 PolarHBondContact ND1-O 3.27Å; P188-R199 HydrophobicContact CG-CB 4.12Å; D196-R199 PolarHBondContact O-N 3.28Å; D196-R199 WeakPolarHBondContact OD2-CD 3.12Å; D196-R199 VanDerWaalsContact OD2-CG 3.27Å; D196-R199 WeakPolarHBondContact OD2-CG 3.31Å; D196-R199 IonicContact OD2-NE 2.68Å; D196-R199 PolarHBondContact OD2-NE 2.71Å; R197-R199 VanDerWaalsContact C-N 3.35Å; R199-L209 CarbonylContact C-O 3.36Å; R199-L209 WeakPolarHBondContact CA-O 3.27Å
200T90.1Very high79.8Confident0 Ų074.1 Ų74.10%039%0.392CS..EExtended strand (participates in β ladder)trans-136.8120174.434.70000109W182 H186 Q208 L209 F211 M220W182-T200 HydrophobicContact CH2-CG2 3.79Å; W182-T200 HydrophobicContact CZ3-CG2 3.77Å; H186-T200 CarbonylContact O-C 3.52Å; H186-T200 VanDerWaalsContact O-CA 3.3Å; H186-T200 WeakPolarHBondContact O-CA 3.42Å; T200-Q208 CarbonylContact O-C 3.46Å; T200-Q208 WeakPolarHBondContact O-CA 3.46Å; T200-L209 PolarHBondContact N-O 2.86Å; T200-L209 PolarHBondContact O-N 3.06Å; T200-L209 PolarHBondContact OG1-O 3.1Å; T200-F211 HydrophobicContact CG2-CB 4.17Å; T200-F211 HydrophobicContact CG2-CD2 3.58Å; T200-F211 HydrophobicContact CG2-CE2 4.35Å; T200-F211 HydrophobicContact CG2-CG 4.15Å; T200-M220 HydrophobicContact CG2-SD 3.8Å
201Q91.6Very high80.5Confident33 Ų3371.6 Ų71.615%0.15438%0.377CS..EExtended strand (participates in β ladder)trans-96.3132.4-179.1-177.9159.7-30.100109.5F185 H186 D206 Q208F185-Q201 CarbonylContact C-O 3.56Å; F185-Q201 WeakPolarHBondContact CA-O 3.33Å; H186-Q201 PolarHBondContact N-O 3.19Å; H186-Q201 PolarHBondContact O-N 2.79Å; Q201-D206 PolarHBondContact NE2-OD1 3.15Å; Q201-Q208 HydrophobicContact CB-CG 4.24Å; Q201-Q208 HydrophobicContact CG-CG 4.41Å
202C95.6Very high81.4Confident0 Ų065.9 Ų65.90%036%0.356CS..EExtended strand (participates in β ladder)trans-82123.2173.9-165.30000110.4Y184 F185 L204 C205 D206 S207Y184-C202 WeakPolarHBondContact O-CA 3.21Å; Y184-C202 PolarHBondContact O-SG 2.92Å; F185-C202 HydrophobicContact CD1-CB 3.75Å; F185-C202 HydrophobicContact CE1-CB 3.41Å; F185-C202 VanDerWaalsContact CE1-CB 3.41Å; F185-C202 HydrophobicContact CZ-CB 4.03Å; C202-L204 PolarHBondContact O-N 3.07Å; C202-C205 PolarHBondContact O-N 3Å; C202-D206 VanDerWaalsContact O-CA 3.26Å; C202-D206 WeakPolarHBondContact O-CA 3.35Å; C202-D206 PolarHBondContact O-N 3.17Å; C202-S207 PolarHBondContact N-O 3.43Å; C202-S207 VanDerWaalsContact N-O 3.17Å
203V93.2Very high81.8Confident86 Ų8662.1 Ų62.152%0.52136%0.356SS..THydrogen-bonded Turntrans-70.2-2.8-179.8-129.40000113.6Y184Y184-V203 PolarHBondContact O-N 3.23Å; Y184-V203 VanDerWaalsContact O-N 3.09Å
204L92.9Very high81.9Confident66 Ų6663.4 Ų63.435%0.34636%0.358SS..THydrogen-bonded Turntrans-101.7-12.2-176.9-59.2171.7000113.5Y184 C202 L224 H228 I231Y184-L204 HydrophobicContact CD1-CD1 3.73Å; Y184-L204 HydrophobicContact CD1-CD2 4.19Å; Y184-L204 HydrophobicContact CD1-CG 4.15Å; Y184-L204 HydrophobicContact CG-CD1 4.04Å; C202-L204 PolarHBondContact O-N 3.07Å; L204-L224 HydrophobicContact CD1-CD2 4.11Å; L204-H228 WeakPolarHBondContact CB-CE1 3.31Å; L204-H228 WeakPolarHBondContact CB-NE2 3.31Å; L204-H228 HydrophobicContact CD1-CB 4.04Å; L204-H228 PolarHBondContact O-CE1 2.87Å; L204-H228 VanDerWaalsContact O-CE1 3.3Å; L204-I231 HydrophobicContact CD1-CD1 3.73Å; L204-I231 HydrophobicContact CD1-CG2 4.33Å; L204-I231 HydrophobicContact CD2-CD1 3.97Å; L204-I231 HydrophobicContact CG-CD1 4.46Å
205C93.9Very high82.2Confident46 Ų4662.3 Ų62.331%0.31137%0.365SS..THydrogen-bonded Turntrans-163.220.5176.966.50000114.5C202 S207 H223 H228C202-C205 PolarHBondContact O-N 3Å; C205-S207 PolarHBondContact O-N 3.41Å; C205-S207 PolarHBondContact O-OG 2.86Å; C205-S207 PolarHBondContact SG-OG 3.39Å; C205-H223 PolarHBondContact SG-NE2 3.39Å; C205-H228 PolarHBondContact SG-NE2 3.12Å
206D91.7Very high82.1Confident101 Ų10163 Ų6354%0.5437%0.368SS..  trans49.113.9-179.7-63.6-61.4000117.1Q201 C202 Q208Q201-D206 PolarHBondContact NE2-OD1 3.15Å; C202-D206 VanDerWaalsContact O-CA 3.26Å; C202-D206 WeakPolarHBondContact O-CA 3.35Å; C202-D206 PolarHBondContact O-N 3.17Å; D206-Q208 PolarHBondContact O-N 3.33Å; D206-Q208 VanDerWaalsContact O-N 3.13Å
207S89.3Confident82.6Confident30 Ų3063 Ų6321%0.2137%0.37CS..  trans-70.9111.9-177.9-69.80000110.3C202 C205 H223 R227C202-S207 PolarHBondContact N-O 3.43Å; C202-S207 VanDerWaalsContact N-O 3.17Å; C205-S207 PolarHBondContact O-N 3.41Å; C205-S207 PolarHBondContact O-OG 2.86Å; C205-S207 PolarHBondContact SG-OG 3.39Å; S207-H223 WeakPolarHBondContact CB-CE1 3.29Å; S207-R227 PolarHBondContact OG-NH1 3.46Å
208Q90.4Very high82.9Confident96 Ų9660.3 Ų60.345%0.44937%0.368SS..EExtended strand (participates in β ladder)trans-75.7129.3172.9-65.6-173.4-200111.4T200 Q201 D206T200-Q208 CarbonylContact O-C 3.46Å; T200-Q208 WeakPolarHBondContact O-CA 3.46Å; Q201-Q208 HydrophobicContact CB-CG 4.24Å; Q201-Q208 HydrophobicContact CG-CG 4.41Å; D206-Q208 PolarHBondContact O-N 3.33Å; D206-Q208 VanDerWaalsContact O-N 3.13Å
209L88Confident83.3Confident38 Ų3858.6 Ų58.620%0.19936%0.355CS..EExtended strand (participates in β ladder)trans-116.6139171.5-60.6109.2000110.4F185 R199 T200 F211 H223F185-L209 HydrophobicContact CD1-CD1 4.24Å; F185-L209 HydrophobicContact CE1-CD1 3.53Å; F185-L209 HydrophobicContact CZ-CD1 4.46Å; R199-L209 CarbonylContact C-O 3.36Å; R199-L209 WeakPolarHBondContact CA-O 3.27Å; T200-L209 PolarHBondContact N-O 2.86Å; T200-L209 PolarHBondContact O-N 3.06Å; T200-L209 PolarHBondContact OG1-O 3.1Å; L209-F211 PolarHBondContact O-N 3.5Å; L209-H223 HydrophobicContact CD1-CB 4.08Å; L209-H223 HydrophobicContact CD2-CB 3.92Å
210A82.8Confident83.7Confident72 Ų7252.8 Ų52.860%0.59533%0.333SS*.EExtended strand (participates in β ladder)trans-58.3127.6171.900000111
211F80.4Confident83.7Confident47 Ų4755 Ų5521%0.20634%0.344CS..PPolyproline II helixtrans-92.3116.7178.4-172.9-102.4000110.2W182 R197 S198 T200 L209 M220W182-F211 HydrophobicContact CH2-CD2 4.19Å; W182-F211 AromaticContact CH2-CE2 3.61Å; W182-F211 HydrophobicContact CH2-CE2 3.61Å; W182-F211 HydrophobicContact CH2-CZ 4.22Å; W182-F211 AromaticContact CZ2-CE2 3.7Å; W182-F211 HydrophobicContact CZ2-CE2 3.7Å; W182-F211 HydrophobicContact CZ2-CZ 4.15Å; R197-F211 VanDerWaalsContact O-CD1 3.3Å; R197-F211 WeakPolarHBondContact O-CD1 3.34Å; S198-F211 PolarHBondContact O-N 3.27Å; T200-F211 HydrophobicContact CG2-CB 4.17Å; T200-F211 HydrophobicContact CG2-CD2 3.58Å; T200-F211 HydrophobicContact CG2-CE2 4.35Å; T200-F211 HydrophobicContact CG2-CG 4.15Å; L209-F211 PolarHBondContact O-N 3.5Å; F211-M220 HydrophobicContact CE2-CE 4.28Å
212N65.6Low83.8Confident66 Ų6658 Ų5835%0.35336%0.362SS..PPolyproline II helixtrans-78.6125.7174.1-53.3-23000108.6S214 G215N212-S214 PolarHBondContact O-N 2.94Å; N212-G215 PolarHBondContact O-N 3.26Å
213A61Low83.7Confident104 Ų10458.7 Ų58.786%0.8637%0.365SS*.THydrogen-bonded Turntrans-54-15173.600000114.4G215A213-G215 PolarHBondContact O-N 3.34Å
214S61.7Low83.7Confident69 Ų6954.6 Ų54.648%0.48334%0.34SS..THydrogen-bonded Turntrans-61.90.9172.6-46.40000116.1N212 T216N212-S214 PolarHBondContact O-N 2.94Å; S214-T216 PolarHBondContact O-N 3.38Å
215G60.9Low83.8Confident50 Ų5057.4 Ų57.452%0.51535%0.349SS..  trans67-2.5173.800000116.7N212 A213 T217N212-G215 PolarHBondContact O-N 3.26Å; A213-G215 PolarHBondContact O-N 3.34Å; G215-T217 PolarHBondContact O-N 3.22Å
216T72.1Confident83.7Confident68 Ų6859.6 Ų59.642%0.41737%0.365SS..  trans-74.3108.2-175.155.80000111.9S214 T218S214-T216 PolarHBondContact O-N 3.38Å; T216-T218 PolarHBondContact O-N 3.32Å
217T89Confident83.7Confident31 Ų3162 Ų6219%0.1937%0.367CS..THydrogen-bonded Turntrans-688.3178.460.80000115.3G215 T219 M220 L221G215-T217 PolarHBondContact O-N 3.22Å; T217-T219 PolarHBondContact O-N 3.27Å; T217-M220 HydrophobicContact CG2-CE 3.75Å; T217-M220 PolarHBondContact O-N 3.26Å; T217-L221 WeakPolarHBondContact O-CB 3.12Å; T217-L221 PolarHBondContact O-N 2.7Å
218T86.8Confident84Confident77 Ų7762 Ų6247%0.47236%0.364SS..Hα-helixtrans-64.5-35.9-175-41.10000113.8T216 N222T216-T218 PolarHBondContact O-N 3.32Å; T218-N222 WeakPolarHBondContact O-CB 3.46Å; T218-N222 PolarHBondContact O-N 3.07Å; T218-N222 PolarHBondContact O-OD1 2.76Å
219T88Confident83.9Confident28 Ų2859.2 Ų59.217%0.17236%0.361CS..Hα-helixtrans-65.1-49.1177.237.90000111.4T217 N222 H223T217-T219 PolarHBondContact O-N 3.27Å; T219-N222 PolarHBondContact O-N 2.89Å; T219-H223 PolarHBondContact O-N 3.38Å
220M91.8Very high84Confident0 Ų064.9 Ų64.90%039%0.386CS..Hα-helixtrans-64.6-38.4175.7-67.5178.8-68.600112.3V181 W182 F185 T200 F211 T217 H223 L224V181-M220 HydrophobicContact CG1-CB 3.27Å; V181-M220 HydrophobicContact CG1-CE 4.33Å; V181-M220 HydrophobicContact CG1-CG 4.37Å; V181-M220 HydrophobicContact CG1-SD 4.32Å; W182-M220 HydrophobicContact CD2-CE 4.35Å; W182-M220 HydrophobicContact CE3-SD 4.26Å; W182-M220 HydrophobicContact CH2-CE 3.9Å; W182-M220 HydrophobicContact CH2-SD 4.07Å; W182-M220 HydrophobicContact CZ2-CE 3.67Å; W182-M220 HydrophobicContact CZ2-SD 4.4Å; W182-M220 HydrophobicContact CZ3-CE 4.32Å; W182-M220 HydrophobicContact CZ3-SD 3.99Å; F185-M220 HydrophobicContact CB-SD 3.8Å; F185-M220 HydrophobicContact CD1-CB 4.26Å; F185-M220 HydrophobicContact CD1-CG 3.83Å; F185-M220 HydrophobicContact CD1-SD 4.14Å; F185-M220 HydrophobicContact CD2-CB 3.82Å; F185-M220 HydrophobicContact CD2-CG 4.11Å; F185-M220 HydrophobicContact CD2-SD 4.11Å; F185-M220 HydrophobicContact CE1-CB 4.06Å; F185-M220 HydrophobicContact CE1-CG 3.97Å; F185-M220 HydrophobicContact CE2-CB 3.62Å; F185-M220 HydrophobicContact CE2-CG 4.25Å; F185-M220 WeakPolarHBondContact CE2-O 3.21Å; F185-M220 HydrophobicContact CG-CB 4.16Å; F185-M220 HydrophobicContact CG-CG 3.92Å; F185-M220 HydrophobicContact CG-SD 3.75Å; F185-M220 HydrophobicContact CZ-CB 3.74Å; F185-M220 HydrophobicContact CZ-CG 4.18Å; F185-M220 VanDerWaalsContact CZ-O 3.29Å; F185-M220 WeakPolarHBondContact CZ-O 3.17Å; T200-M220 HydrophobicContact CG2-SD 3.8Å; F211-M220 HydrophobicContact CE2-CE 4.28Å; T217-M220 HydrophobicContact CG2-CE 3.75Å; T217-M220 PolarHBondContact O-N 3.26Å; M220-H223 PolarHBondContact O-N 3.08Å; M220-L224 PolarHBondContact O-N 2.85Å
221L92Very high84.3Confident46 Ų4663.5 Ų63.524%0.24137%0.368CS..Hα-helixtrans-64.7-39.4173.7-178.159.9000112.3F180 V181 T217 H223 L224 K225F180-L221 HydrophobicContact CE1-CD1 3.87Å; F180-L221 HydrophobicContact CZ-CD1 3.57Å; V181-L221 HydrophobicContact CG2-CB 4Å; V181-L221 HydrophobicContact CG2-CD1 4.02Å; T217-L221 WeakPolarHBondContact O-CB 3.12Å; T217-L221 PolarHBondContact O-N 2.7Å; L221-H223 VanDerWaalsContact C-N 3.33Å; L221-L224 PolarHBondContact O-N 2.93Å; L221-K225 WeakPolarHBondContact O-CG 3.18Å; L221-K225 PolarHBondContact O-N 2.83Å
222N91.9Very high84.8Confident96 Ų9661.6 Ų61.651%0.51336%0.361SS..Hα-helixtrans-67.7-35.3175.7-74.61.9000111.5T218 T219 K225 S226T218-N222 WeakPolarHBondContact O-CB 3.46Å; T218-N222 PolarHBondContact O-N 3.07Å; T218-N222 PolarHBondContact O-OD1 2.76Å; T219-N222 PolarHBondContact O-N 2.89Å; N222-K225 PolarHBondContact O-N 2.69Å; N222-S226 WeakPolarHBondContact O-CB 2.99Å; N222-S226 PolarHBondContact O-N 2.94Å; N222-S226 PolarHBondContact O-OG 2.96Å; N222-S226 VanDerWaalsContact O-OG 3.08Å
223H94Very high85.9Confident16 Ų1664.8 Ų64.87%0.07437%0.374CS..Hα-helixtrans-64.3-48.7172.2179.793.5000112F185 C205 S207 L209 T219 M220 L221 K225 S226 R227 H228F185-H223 HydrophobicContact CE1-CB 4.44Å; F185-H223 AromaticContact CE1-CD2 3.87Å; F185-H223 HydrophobicContact CZ-CB 4.03Å; F185-H223 AromaticContact CZ-CD2 3.6Å; C205-H223 PolarHBondContact SG-NE2 3.39Å; S207-H223 WeakPolarHBondContact CB-CE1 3.29Å; L209-H223 HydrophobicContact CD1-CB 4.08Å; L209-H223 HydrophobicContact CD2-CB 3.92Å; T219-H223 PolarHBondContact O-N 3.38Å; M220-H223 PolarHBondContact O-N 3.08Å; L221-H223 VanDerWaalsContact C-N 3.33Å; H223-K225 VanDerWaalsContact C-N 3.26Å; H223-K225 PolarHBondContact O-N 2.96Å; H223-S226 PolarHBondContact O-N 3.3Å; H223-S226 VanDerWaalsContact O-N 3.1Å; H223-S226 PolarHBondContact O-OG 3.41Å; H223-R227 PolarHBondContact O-N 3.39Å; H223-H228 AromaticContact NE2-CD2 3.93Å; H223-H228 AromaticContact NE2-NE2 3.78Å
224L94.1Very high87.2Confident0 Ų065.7 Ų65.70%036%0.36CS..Hα-helixtrans-50.3-48.8171.1-98.3163.6000110.7F180 V181 Y184 F185 L204 M220 L221 S226 H228 G229 I231 A232F180-L224 HydrophobicContact CE2-CD1 4.18Å; V181-L224 HydrophobicContact CB-CD1 4.36Å; V181-L224 HydrophobicContact CG1-CD1 4.11Å; V181-L224 HydrophobicContact CG2-CD1 4.27Å; Y184-L224 HydrophobicContact CD2-CD1 3.92Å; Y184-L224 HydrophobicContact CD2-CD2 3.97Å; Y184-L224 HydrophobicContact CG-CD2 4.13Å; F185-L224 HydrophobicContact CE2-CD1 3.9Å; F185-L224 HydrophobicContact CE2-CG 3.9Å; F185-L224 HydrophobicContact CZ-CG 4.44Å; L204-L224 HydrophobicContact CD1-CD2 4.11Å; M220-L224 PolarHBondContact O-N 2.85Å; L221-L224 PolarHBondContact O-N 2.93Å; L224-S226 VanDerWaalsContact C-N 3.34Å; L224-S226 PolarHBondContact O-N 3.5Å; L224-H228 HydrophobicContact CD2-CB 4.12Å; L224-H228 CarbonylContact O-C 3.53Å; L224-H228 WeakPolarHBondContact O-CA 3.37Å; L224-H228 WeakPolarHBondContact O-CB 3.46Å; L224-H228 PolarHBondContact O-N 3.4Å; L224-H228 VanDerWaalsContact O-O 3.1Å; L224-G229 PolarHBondContact O-N 3.23Å; L224-I231 HydrophobicContact CD2-CG2 4.05Å; L224-A232 HydrophobicContact CB-CB 4.2Å
225K93.5Very high88.5Confident124 Ų12463.6 Ų63.654%0.53934%0.343SS..Hα-helixtrans-68.9-22.9-179.4-72.9-175.3175.2-162.70115.3L221 N222 H223 A232L221-K225 WeakPolarHBondContact O-CG 3.18Å; L221-K225 PolarHBondContact O-N 2.83Å; N222-K225 PolarHBondContact O-N 2.69Å; H223-K225 VanDerWaalsContact C-N 3.26Å; H223-K225 PolarHBondContact O-N 2.96Å; K225-A232 HydrophobicContact CG-CB 3.88Å
226S93Very high89.7Confident92 Ų9264.4 Ų64.464%0.64333%0.333SS*.Hα-helixtrans-104.1-20.1-17766.90000115N222 H223 L224N222-S226 WeakPolarHBondContact O-CB 2.99Å; N222-S226 PolarHBondContact O-N 2.94Å; N222-S226 PolarHBondContact O-OG 2.96Å; N222-S226 VanDerWaalsContact O-OG 3.08Å; H223-S226 PolarHBondContact O-N 3.3Å; H223-S226 VanDerWaalsContact O-N 3.1Å; H223-S226 PolarHBondContact O-OG 3.41Å; L224-S226 VanDerWaalsContact C-N 3.34Å; L224-S226 PolarHBondContact O-N 3.5Å
227R90.8Very high90.2Very high153 Ų15363.9 Ų63.958%0.57733%0.33SS*.Hα-helixtrans-114.6-22.8177.4-70.8-67-167.876.8-5.8113.9S207 H223S207-R227 PolarHBondContact OG-NH1 3.46Å; H223-R227 PolarHBondContact O-N 3.39Å
228H95.8Very high89.9Confident30 Ų3066.5 Ų66.514%0.13934%0.342CS..  trans-138.845.6-172.7-55.7-64.1000110.8L204 C205 H223 L224 E230 I231 A232L204-H228 WeakPolarHBondContact CB-CE1 3.31Å; L204-H228 WeakPolarHBondContact CB-NE2 3.31Å; L204-H228 HydrophobicContact CD1-CB 4.04Å; L204-H228 PolarHBondContact O-CE1 2.87Å; L204-H228 VanDerWaalsContact O-CE1 3.3Å; C205-H228 PolarHBondContact SG-NE2 3.12Å; H223-H228 AromaticContact NE2-CD2 3.93Å; H223-H228 AromaticContact NE2-NE2 3.78Å; L224-H228 HydrophobicContact CD2-CB 4.12Å; L224-H228 CarbonylContact O-C 3.53Å; L224-H228 WeakPolarHBondContact O-CA 3.37Å; L224-H228 WeakPolarHBondContact O-CB 3.46Å; L224-H228 PolarHBondContact O-N 3.4Å; L224-H228 VanDerWaalsContact O-O 3.1Å; H228-E230 VanDerWaalsContact C-N 3.27Å; H228-E230 PolarHBondContact O-N 2.84Å; H228-I231 HydrophobicContact CB-CB 4.33Å; H228-I231 HydrophobicContact CB-CD1 4.37Å; H228-I231 PolarHBondContact O-N 3.39Å; H228-A232 PolarHBondContact O-N 3.39Å
229G88.1Confident89.7Confident37 Ų3768.2 Ų68.238%0.38134%0.34SS..Hα-helixtrans-53.3-41.5-169.400000113.6L224 I231 A232 E233L224-G229 PolarHBondContact O-N 3.23Å; G229-I231 PolarHBondContact O-N 3.02Å; G229-A232 WeakPolarHBondContact O-CB 3.14Å; G229-A232 PolarHBondContact O-N 2.71Å; G229-E233 PolarHBondContact O-N 3.01Å
230E90.3Very high89.1Confident156 Ų15673.4 Ų73.473%0.72936%0.357SS*.Hα-helixtrans-59.6-45.7176.5-60.8177179.500112.5H228 A232 E233 Q234H228-E230 VanDerWaalsContact C-N 3.27Å; H228-E230 PolarHBondContact O-N 2.84Å; E230-A232 VanDerWaalsContact C-N 3.32Å; E230-A232 PolarHBondContact O-N 2.81Å; E230-E233 PolarHBondContact O-N 3.2Å; E230-Q234 WeakPolarHBondContact O-CB 3.32Å; E230-Q234 WeakPolarHBondContact O-CG 2.96Å; E230-Q234 PolarHBondContact O-N 3.09Å
231I90.3Very high88.3Confident44 Ų4479.3 Ų79.323%0.22639%0.388CS..Hα-helixtrans-67.4-36.2178-64.9171000110.4Y184 L204 L224 H228 G229 E233 E235Y184-I231 HydrophobicContact CD1-CG2 4.15Å; Y184-I231 HydrophobicContact CD2-CG2 4.42Å; Y184-I231 HydrophobicContact CE1-CG2 3.59Å; Y184-I231 HydrophobicContact CE2-CG2 3.87Å; Y184-I231 VanDerWaalsContact CZ-CG2 3.42Å; L204-I231 HydrophobicContact CD1-CD1 3.73Å; L204-I231 HydrophobicContact CD1-CG2 4.33Å; L204-I231 HydrophobicContact CD2-CD1 3.97Å; L204-I231 HydrophobicContact CG-CD1 4.46Å; L224-I231 HydrophobicContact CD2-CG2 4.05Å; H228-I231 HydrophobicContact CB-CB 4.33Å; H228-I231 HydrophobicContact CB-CD1 4.37Å; H228-I231 PolarHBondContact O-N 3.39Å; G229-I231 PolarHBondContact O-N 3.02Å; I231-E233 VanDerWaalsContact C-N 3.34Å; I231-E235 PolarHBondContact O-N 2.88Å; I231-E235 VanDerWaalsContact O-N 3.15Å
232A90.2Very high87.4Confident7 Ų781 Ų816%0.05840%0.397CS..Hα-helixtrans-67-33.1174.200000112.6L224 K225 H228 G229 E230 E236L224-A232 HydrophobicContact CB-CB 4.2Å; K225-A232 HydrophobicContact CG-CB 3.88Å; H228-A232 PolarHBondContact O-N 3.39Å; G229-A232 WeakPolarHBondContact O-CB 3.14Å; G229-A232 PolarHBondContact O-N 2.71Å; E230-A232 VanDerWaalsContact C-N 3.32Å; E230-A232 PolarHBondContact O-N 2.81Å; A232-E236 VanDerWaalsContact O-CB 3.23Å; A232-E236 WeakPolarHBondContact O-CB 3.46Å; A232-E236 PolarHBondContact O-N 3.02Å
233E87.7Confident86.2Confident132 Ų13285.3 Ų85.362%0.61741%0.406SS*.Hα-helixtrans-80.1-38.9176.1-178.2155.1-136.800112.8G229 E230 I231 E236 T237G229-E233 PolarHBondContact O-N 3.01Å; E230-E233 PolarHBondContact O-N 3.2Å; I231-E233 VanDerWaalsContact C-N 3.34Å; E233-E236 PolarHBondContact O-N 3.29Å; E233-T237 HydrophobicContact CG-CG2 4.45Å; E233-T237 WeakPolarHBondContact O-CB 2.87Å; E233-T237 WeakPolarHBondContact O-CG2 3.18Å; E233-T237 PolarHBondContact O-N 2.84Å; E233-T237 PolarHBondContact O-OG1 2.77Å
234Q88.7Confident85.1Confident123 Ų12388 Ų8858%0.57542%0.421SS*.Hα-helixtrans-58.3-50.1173-77.8-176.23.400111.4E230 E236 T237 L238E230-Q234 WeakPolarHBondContact O-CB 3.32Å; E230-Q234 WeakPolarHBondContact O-CG 2.96Å; E230-Q234 PolarHBondContact O-N 3.09Å; Q234-E236 PolarHBondContact O-N 3.28Å; Q234-T237 WeakPolarHBondContact CA-OG1 3.44Å; Q234-T237 PolarHBondContact O-N 2.99Å; Q234-T237 PolarHBondContact O-OG1 2.92Å; Q234-L238 WeakPolarHBondContact O-CB 3.49Å; Q234-L238 PolarHBondContact O-N 2.89Å
235E90.5Very high83.7Confident25 Ų2591 Ų9112%0.11744%0.441CS..Hα-helixtrans-73.3-28.7-179.8-157.593.7138.200112.1F180 K183 I231 R239F180-E235 HydrophobicContact CB-CG 4.19Å; F180-E235 HydrophobicContact CD2-CB 3.78Å; F180-E235 HydrophobicContact CD2-CG 3.52Å; F180-E235 HydrophobicContact CE2-CB 3.83Å; F180-E235 HydrophobicContact CE2-CG 4.11Å; F180-E235 HydrophobicContact CG-CG 4.04Å; K183-E235 WeakPolarHBondContact CD-OE1 3.48Å; K183-E235 VanDerWaalsContact NZ-CD 3.27Å; K183-E235 IonicContact NZ-OE1 2.72Å; K183-E235 PolarHBondContact NZ-OE1 3.37Å; K183-E235 IonicContact NZ-OE2 3.89Å; K183-E235 PolarHBondContact NZ-OE2 3.1Å; I231-E235 PolarHBondContact O-N 2.88Å; I231-E235 VanDerWaalsContact O-N 3.15Å; E235-R239 WeakPolarHBondContact O-CB 3.32Å; E235-R239 VanDerWaalsContact O-CD 3.24Å; E235-R239 WeakPolarHBondContact O-CD 3.38Å; E235-R239 WeakPolarHBondContact O-CG 3.22Å; E235-R239 PolarHBondContact O-N 2.93Å
236E85.4Confident82.1Confident68 Ų6893 Ų9332%0.31845%0.446SS..Hα-helixtrans-65.6-39.6171.4172.264.8-159.600111.7A232 E233 Q234 R239 R240A232-E236 VanDerWaalsContact O-CB 3.23Å; A232-E236 WeakPolarHBondContact O-CB 3.46Å; A232-E236 PolarHBondContact O-N 3.02Å; E233-E236 PolarHBondContact O-N 3.29Å; Q234-E236 PolarHBondContact O-N 3.28Å; E236-R239 WeakPolarHBondContact O-CB 3.46Å; E236-R239 PolarHBondContact O-N 3.3Å; E236-R240 WeakPolarHBondContact O-CG 3.46Å; E236-R240 PolarHBondContact O-N 3.38Å; E236-R240 IonicContact OE1-CZ 3.71Å; E236-R240 VanDerWaalsContact OE1-CZ 3.24Å; E236-R240 IonicContact OE1-NE 2.77Å; E236-R240 PolarHBondContact OE1-NE 3.32Å; E236-R240 IonicContact OE1-NH2 3.58Å; E236-R240 PolarHBondContact OE1-NH2 3.3Å
237T82.7Confident80.6Confident56 Ų5694.1 Ų94.134%0.34444%0.439SS..Hα-helixtrans-72.3-41.8174.948.60000112E233 Q234 R239 R240 L241E233-T237 HydrophobicContact CG-CG2 4.45Å; E233-T237 WeakPolarHBondContact O-CB 2.87Å; E233-T237 WeakPolarHBondContact O-CG2 3.18Å; E233-T237 PolarHBondContact O-N 2.84Å; E233-T237 PolarHBondContact O-OG1 2.77Å; Q234-T237 WeakPolarHBondContact CA-OG1 3.44Å; Q234-T237 PolarHBondContact O-N 2.99Å; Q234-T237 PolarHBondContact O-OG1 2.92Å; T237-R239 PolarHBondContact O-N 3.25Å; T237-R240 PolarHBondContact O-N 3.25Å; T237-R240 VanDerWaalsContact O-N 3.09Å; T237-L241 WeakPolarHBondContact O-CG 3.13Å; T237-L241 PolarHBondContact O-N 2.98Å
238L82.6Confident79.1Confident87 Ų8791.1 Ų91.146%0.45543%0.434SS..Hα-helixtrans-55.2-39.2169.8-124.784.6000111.7Q234 N242Q234-L238 WeakPolarHBondContact O-CB 3.49Å; Q234-L238 PolarHBondContact O-N 2.89Å; L238-N242 WeakPolarHBondContact O-CB 3.37Å; L238-N242 PolarHBondContact O-N 3.47Å; L238-N242 PolarHBondContact O-ND2 3.29Å
239R82.8Confident77.3Confident113 Ų11395.4 Ų95.443%0.42645%0.454SS..Hα-helixtrans-69.3-36.2176.6-79.7165.7153.1-120.2-15.5113.1E235 E236 T237 R243E235-R239 WeakPolarHBondContact O-CB 3.32Å; E235-R239 VanDerWaalsContact O-CD 3.24Å; E235-R239 WeakPolarHBondContact O-CD 3.38Å; E235-R239 WeakPolarHBondContact O-CG 3.22Å; E235-R239 PolarHBondContact O-N 2.93Å; E236-R239 WeakPolarHBondContact O-CB 3.46Å; E236-R239 PolarHBondContact O-N 3.3Å; T237-R239 PolarHBondContact O-N 3.25Å; R239-R243 WeakPolarHBondContact O-CB 3.49Å; R239-R243 PolarHBondContact O-N 2.91Å
240R74.6Confident75.5Confident137 Ų13798.4 Ų98.452%0.51746%0.461SS..Hα-helixtrans-64.4-52.3172.6-70.7167.6-169.7-175.25.9110.5E236 T237 N242 R243 D244E236-R240 WeakPolarHBondContact O-CG 3.46Å; E236-R240 PolarHBondContact O-N 3.38Å; E236-R240 IonicContact OE1-CZ 3.71Å; E236-R240 VanDerWaalsContact OE1-CZ 3.24Å; E236-R240 IonicContact OE1-NE 2.77Å; E236-R240 PolarHBondContact OE1-NE 3.32Å; E236-R240 IonicContact OE1-NH2 3.58Å; E236-R240 PolarHBondContact OE1-NH2 3.3Å; T237-R240 PolarHBondContact O-N 3.25Å; T237-R240 VanDerWaalsContact O-N 3.09Å; R240-N242 PolarHBondContact O-N 3.46Å; R240-R243 PolarHBondContact O-N 2.79Å; R240-D244 PolarHBondContact O-N 3.34Å
241L75.1Confident73.6Confident124 Ų12499.1 Ų99.165%0.64946%0.457SS*.Hα-helixtrans-54.9-47.6176.7-67.7169.3000112.2T237 R243 D244 S245T237-L241 WeakPolarHBondContact O-CG 3.13Å; T237-L241 PolarHBondContact O-N 2.98Å; L241-R243 VanDerWaalsContact C-N 3.34Å; L241-R243 PolarHBondContact O-N 2.94Å; L241-D244 PolarHBondContact O-N 2.73Å; L241-S245 VanDerWaalsContact O-CB 3.25Å; L241-S245 WeakPolarHBondContact O-CB 3.45Å; L241-S245 PolarHBondContact O-N 2.85Å
242N72.4Confident71.6Confident81 Ų81102 Ų10243%0.43347%0.473SS..Hα-helixtrans-64.2-34.8175.7-89-85.7000113.4L238 R240 R246L238-N242 WeakPolarHBondContact O-CB 3.37Å; L238-N242 PolarHBondContact O-N 3.47Å; L238-N242 PolarHBondContact O-ND2 3.29Å; R240-N242 PolarHBondContact O-N 3.46Å; N242-R246 WeakPolarHBondContact O-CB 3.12Å; N242-R246 WeakPolarHBondContact O-CG 3.39Å; N242-R246 PolarHBondContact O-N 3.45Å
243R68.7Low69.5Low186 Ų186106.9 Ų106.970%0.70250%0.496SS*.Hα-helixtrans-73.4-36.7-179.7-172177.3-172.2-1751.9112.1R239 R240 L241 K247R239-R243 WeakPolarHBondContact O-CB 3.49Å; R239-R243 PolarHBondContact O-N 2.91Å; R240-R243 PolarHBondContact O-N 2.79Å; L241-R243 VanDerWaalsContact C-N 3.34Å; L241-R243 PolarHBondContact O-N 2.94Å; R243-K247 PolarHBondContact O-N 2.92Å
244D70.2Confident67.6Low73 Ų73105.9 Ų105.939%0.3949%0.494SS..Hα-helixtrans-80.4-32.5176.8-66.1-43.8000111.9R240 L241 K247 N248R240-D244 PolarHBondContact O-N 3.34Å; L241-D244 PolarHBondContact O-N 2.73Å; D244-K247 WeakPolarHBondContact O-CB 3.37Å; D244-K247 PolarHBondContact O-N 3.33Å; D244-K247 WeakPolarHBondContact OD1-CD 3.25Å; D244-K247 IonicContact OD1-NZ 3.24Å; D244-K247 PolarHBondContact OD1-NZ 2.81Å; D244-N248 PolarHBondContact O-N 2.85Å
245S65.3Low65.3Low62 Ų62106.7 Ų106.743%0.43450%0.501SS..Hα-helixtrans-55.4-50.6164.11760000111.8L241 K247 N248 Q249L241-S245 VanDerWaalsContact O-CB 3.25Å; L241-S245 WeakPolarHBondContact O-CB 3.45Å; L241-S245 PolarHBondContact O-N 2.85Å; S245-K247 PolarHBondContact O-N 3.23Å; S245-N248 PolarHBondContact O-N 3.16Å; S245-N248 VanDerWaalsContact O-N 3.1Å; S245-Q249 PolarHBondContact O-N 2.79Å
246R59Low62.7Low166 Ų166110.2 Ų110.263%0.62653%0.529SS*.Hα-helixtrans-64.7-33.7175.2-73.9-177.9-167.61706.7114N242 N248 L250N242-R246 WeakPolarHBondContact O-CB 3.12Å; N242-R246 WeakPolarHBondContact O-CG 3.39Å; N242-R246 PolarHBondContact O-N 3.45Å; R246-N248 VanDerWaalsContact C-N 3.31Å; R246-L250 WeakPolarHBondContact O-CB 3.46Å; R246-L250 PolarHBondContact O-N 2.75Å
247K62.2Low60.1Low116 Ų116111.1 Ų111.150%0.50454%0.543SS..Hα-helixtrans-63-38.2170.5-90.8179.1-173.1157.40112R243 D244 S245 L250 R251R243-K247 PolarHBondContact O-N 2.92Å; D244-K247 WeakPolarHBondContact O-CB 3.37Å; D244-K247 PolarHBondContact O-N 3.33Å; D244-K247 WeakPolarHBondContact OD1-CD 3.25Å; D244-K247 IonicContact OD1-NZ 3.24Å; D244-K247 PolarHBondContact OD1-NZ 2.81Å; S245-K247 PolarHBondContact O-N 3.23Å; K247-L250 PolarHBondContact O-N 2.67Å; K247-R251 WeakPolarHBondContact O-CB 3.47Å; K247-R251 PolarHBondContact O-N 3.28Å
248N58.6Low57.5Low90 Ų90115.4 Ų115.448%0.48156%0.564SS.*Hα-helixtrans-72.7-40.5178.8-69.8-13.1000110.8D244 S245 R246 R251 N252D244-N248 PolarHBondContact O-N 2.85Å; S245-N248 PolarHBondContact O-N 3.16Å; S245-N248 VanDerWaalsContact O-N 3.1Å; R246-N248 VanDerWaalsContact C-N 3.31Å; N248-R251 PolarHBondContact O-N 3.4Å; N248-N252 WeakPolarHBondContact O-CB 3.48Å; N248-N252 PolarHBondContact O-N 3.01Å; N248-N252 PolarHBondContact O-OD1 3.22Å
249Q57Low54.9Low120 Ų120118.8 Ų118.856%0.56158%0.582SS**Hα-helixtrans-59.5-44.8168.4-81.4-174.9-36.500112.5S245 N252 M253S245-Q249 PolarHBondContact O-N 2.79Å; Q249-N252 PolarHBondContact O-N 3.28Å; Q249-M253 HydrophobicContact CB-CE 4.44Å; Q249-M253 PolarHBondContact O-N 2.68Å
250L52Low52.3Low100 Ų100119.5 Ų119.552%0.52460%0.603SS.*Hα-helixtrans-66.8-36.4176.5-101.9152.8000112.7R246 K247 M253 I254R246-L250 WeakPolarHBondContact O-CB 3.46Å; R246-L250 PolarHBondContact O-N 2.75Å; K247-L250 PolarHBondContact O-N 2.67Å; L250-M253 PolarHBondContact O-N 2.7Å; L250-I254 HydrophobicContact CD2-CD1 4.13Å; L250-I254 WeakPolarHBondContact O-CB 3.45Å; L250-I254 WeakPolarHBondContact O-CD1 3.35Å; L250-I254 WeakPolarHBondContact O-CG1 3.47Å; L250-I254 PolarHBondContact O-N 3.17Å
251R50.4Low50Low172 Ų172122.2 Ų122.265%0.64962%0.618SS**Hα-helixtrans-62.4-46170.8-91.8-177.7159.8178.9-8.2111.2K247 N248 M253 I254 L255K247-R251 WeakPolarHBondContact O-CB 3.47Å; K247-R251 PolarHBondContact O-N 3.28Å; N248-R251 PolarHBondContact O-N 3.4Å; R251-M253 VanDerWaalsContact C-N 3.33Å; R251-M253 PolarHBondContact O-N 2.93Å; R251-I254 PolarHBondContact O-N 2.82Å; R251-L255 VanDerWaalsContact O-CB 3.26Å; R251-L255 WeakPolarHBondContact O-CB 3.32Å; R251-L255 WeakPolarHBondContact O-CD1 3.29Å; R251-L255 VanDerWaalsContact O-CG 3.23Å; R251-L255 WeakPolarHBondContact O-CG 3.31Å; R251-L255 PolarHBondContact O-N 3Å
252N48.5Very low47.8Very low104 Ų104123 Ų12356%0.55662%0.622SS**Hα-helixtrans-67.7-34.1179.9-66.88.5000111.5N248 Q249 S256N248-N252 WeakPolarHBondContact O-CB 3.48Å; N248-N252 PolarHBondContact O-N 3.01Å; N248-N252 PolarHBondContact O-OD1 3.22Å; Q249-N252 PolarHBondContact O-N 3.28Å; N252-S256 VanDerWaalsContact O-CB 3.26Å; N252-S256 WeakPolarHBondContact O-CB 3.37Å; N252-S256 PolarHBondContact O-N 3.11Å; N252-S256 VanDerWaalsContact O-N 3.16Å; N252-S256 PolarHBondContact O-OG 3.41Å
253M45.4Very low45.5Very low110 Ų110123.4 Ų123.454%0.54263%0.631SS.*Hα-helixtrans-63.9-50.6168.8-106.6172.2-84.200112Q249 L250 R251 L255 S256 S257Q249-M253 HydrophobicContact CB-CE 4.44Å; Q249-M253 PolarHBondContact O-N 2.68Å; L250-M253 PolarHBondContact O-N 2.7Å; R251-M253 VanDerWaalsContact C-N 3.33Å; R251-M253 PolarHBondContact O-N 2.93Å; M253-L255 VanDerWaalsContact C-N 3.27Å; M253-L255 PolarHBondContact O-N 3.49Å; M253-S256 CarbonylContact O-C 2.91Å; M253-S256 VanDerWaalsContact O-C 3.29Å; M253-S256 WeakPolarHBondContact O-CA 3.18Å; M253-S256 PolarHBondContact O-N 3.38Å; M253-S257 WeakPolarHBondContact O-CB 3.24Å; M253-S257 PolarHBondContact O-N 2.86Å; M253-S257 PolarHBondContact O-OG 3.17Å; M253-S257 VanDerWaalsContact O-OG 3.13Å
254I48.7Very low44Very low110 Ų110119.2 Ų119.256%0.56463%0.628SS**Hα-helixtrans-65.9-29.7-178.3-68.8165.2000112L250 R251 S256L250-I254 HydrophobicContact CD2-CD1 4.13Å; L250-I254 WeakPolarHBondContact O-CB 3.45Å; L250-I254 WeakPolarHBondContact O-CD1 3.35Å; L250-I254 WeakPolarHBondContact O-CG1 3.47Å; L250-I254 PolarHBondContact O-N 3.17Å; R251-I254 PolarHBondContact O-N 2.82Å; I254-S256 VanDerWaalsContact C-N 3.31Å
255L39.4Very low42Very low140 Ų140121.8 Ų121.873%0.73365%0.647SS**Hα-helixtrans-79.2-11.3172.4-70.9165.9000113.5R251 M253R251-L255 VanDerWaalsContact O-CB 3.26Å; R251-L255 WeakPolarHBondContact O-CB 3.32Å; R251-L255 WeakPolarHBondContact O-CD1 3.29Å; R251-L255 VanDerWaalsContact O-CG 3.23Å; R251-L255 WeakPolarHBondContact O-CG 3.31Å; R251-L255 PolarHBondContact O-N 3Å; M253-L255 VanDerWaalsContact C-N 3.27Å; M253-L255 PolarHBondContact O-N 3.49Å
256S36.5Very low40.1Very low99 Ų99123.4 Ų123.469%0.69266%0.659SS**THydrogen-bonded Turntrans-116.728.4177.5-590000112.1N252 M253 I254N252-S256 VanDerWaalsContact O-CB 3.26Å; N252-S256 WeakPolarHBondContact O-CB 3.37Å; N252-S256 PolarHBondContact O-N 3.11Å; N252-S256 VanDerWaalsContact O-N 3.16Å; N252-S256 PolarHBondContact O-OG 3.41Å; M253-S256 CarbonylContact O-C 2.91Å; M253-S256 VanDerWaalsContact O-C 3.29Å; M253-S256 WeakPolarHBondContact O-CA 3.18Å; M253-S256 PolarHBondContact O-N 3.38Å; I254-S256 VanDerWaalsContact C-N 3.31Å
257S29.4Very low38.7Very low88 Ų88121.6 Ų121.662%0.61566%0.66SS**SBendtrans-146.939-177.8-66.60000112.5M253M253-S257 WeakPolarHBondContact O-CB 3.24Å; M253-S257 PolarHBondContact O-N 2.86Å; M253-S257 PolarHBondContact O-OG 3.17Å; M253-S257 VanDerWaalsContact O-OG 3.13Å
258N27.8Very low36.9Very low146 Ų146120.7 Ų120.778%0.78166%0.661SS**  trans-133.148.3173.2-96-19.7000110.6
259D28.4Very low35.5Very low158 Ų158119.5 Ų119.585%0.84566%0.659SS**  trans-146.7147.1167.8-108.1-42.4000113
260C28Very low34.1Very low127 Ų127117.9 Ų117.986%0.85865%0.654SS**  trans58.9139.4174-71.40000120.7
261K27.5Very low33Very low195 Ų195118.3 Ų118.385%0.84867%0.666SS**  trans-98.6173.5165.8-59.5173.5179.11740109.4
262L27.4Very low31.9Very low140 Ų140116 Ų11673%0.73367%0.671SS**  trans78.6146.6162.8-60.6166.6000117.2F454L262-F454 HydrophobicContact CD2-CE2 3.76Å; L262-F454 HydrophobicContact CD2-CZ 4.36Å
263S24.9Very low31.1Very low89 Ų89117.9 Ų117.962%0.62268%0.68SS**  trans-120.7-177.8172.263.20000107.4
264P38Very low30.4Very low98 Ų98118.3 Ų118.364%0.63668%0.683SS**  cis-135.7-157.50.133.2-9.3000113.3
265T28.3Very low29.6Very low127 Ų127120.6 Ų120.678%0.77969%0.689SS**  trans103.1142.6149.9-39.90000117
266S24.9Very low29.3Very low97 Ų97119.1 Ų119.168%0.67868%0.681SS**  trans-105143.6-167.453.60000113.7
267I28.5Very low29Very low127 Ų127120.2 Ų120.265%0.65168%0.68SS**  trans-179.994.1134.8-90.4149.1000104.2N444I267-N444 VanDerWaalsContact CG2-ND2 3.3Å; I267-N444 WeakPolarHBondContact CG2-ND2 3.45Å
268N26.1Very low28.8Very low98 Ų98123.6 Ų123.652%0.52469%0.686SS.*  66.811281.4-171.215.7000112.7L442 L443N268-L442 WeakPolarHBondContact OD1-CD2 3.35Å; N268-L443 HydrophobicContact CB-CD2 4.23Å
269S29.2Very low28.8Very low65 Ų65123.5 Ų123.546%0.45568%0.682SS.*  trans-163.9133.2163.7-152.30000111.7L443 N444S269-L443 VanDerWaalsContact OG-C 3.26Å; S269-L443 PolarHBondContact OG-O 2.88Å; S269-N444 WeakPolarHBondContact OG-CB 3.31Å; S269-N444 PolarHBondContact OG-N 2.68Å
270N26.2Very low28.8Very low85 Ų85122.5 Ų122.546%0.45568%0.676SS.*  trans-74.3163147.9-72.83.1000106.8L442N270-L442 HydrophobicContact CB-CB 3.78Å
271S28.4Very low28.8Very low109 Ų109124 Ų12476%0.76268%0.675SS**  cis-150.5160.535.335.50000112.3
272T28.8Very low28.7Very low125 Ų125118.9 Ų118.977%0.76766%0.664SS**  trans-63.2168.2167.250.90000109.6
273I30.7Very low28.6Very low143 Ų143119 Ų11973%0.73366%0.659SS**  -172.9149.478-151.6161.3000111.9
274I31.7Very low28.7Very low119 Ų119119.6 Ų119.661%0.6166%0.655SS**  trans57.7139175.336.1174.9000118.1
275K31.3Very low28.1Very low158 Ų158122.2 Ų122.269%0.68766%0.659SS**SBendcis-137.7154.79.7-63.5-175.4179.4172.70109.9
276N33.6Very low28.2Very low108 Ų108120.8 Ų120.858%0.57865%0.646SS**  cis-158.7149.1-12.2-107.311.3000107.8
277N29.5Very low28.2Very low123 Ų123119.2 Ų119.266%0.65863%0.633SS**  trans27.2122.8135.4-48.623000116.8
278E25.9Very low28.2Very low158 Ų158121.4 Ų121.474%0.73864%0.64SS**  cis54.816046-36.3-177.511900112.4
279M27.8Very low28.1Very low144 Ų144122.3 Ų122.371%0.70965%0.65SS**  cis-153.8-124.81.2-155.8-175.7-7300106.5
280I28.2Very low28.1Very low138 Ų138127.1 Ų127.171%0.70867%0.668SS**  trans73.4134153.9-19.8163.5000111.1
281N28.7Very low28.2Very low157 Ų157133.8 Ų133.884%0.8469%0.687SS**  cis-119.314435.8-63.7-14.6000116.4
282S24.6Very low28.2Very low88 Ų88135.2 Ų135.262%0.61569%0.686SS**  trans-113.6150.2142.856.60000108.7
283F25.4Very low28.1Very low143 Ų143136 Ų13663%0.62769%0.685SS**SBendtrans72.5110.7174.9-60.1-74.4000119.1
284N26.3Very low28Very low101 Ų101134 Ų13454%0.5468%0.684SS.*  trans85.990.1140.2-68.130.7000120.5E997N284-E997 PolarHBondContact ND2-O 3.48Å
285E26.4Very low27.8Very low153 Ų153135.2 Ų135.272%0.71570%0.697SS**  -47152.7115-53.4175.5148.600110I998E285-I998 CarbonylContact C-O 3.57Å; E285-I998 CarbonylContact O-C 3.29Å
286N29Very low28.1Very low98 Ų98135 Ų13552%0.52470%0.704SS.*  cis-146.3-168.3-4.3-133.1-2.5000108.9I998 T999 D1000N286-I998 PolarHBondContact N-O 3.44Å; N286-T999 WeakPolarHBondContact CB-O 3.41Å; N286-D1000 HydrophobicContact CB-CB 4.46Å; N286-D1000 PolarHBondContact ND2-O 3.16Å
287T26.5Very low27.8Very low64 Ų64135.9 Ų135.939%0.39371%0.707SS.*  cis-133.5154.6-3.419.20000110.3D1000T287-D1000 HydrophobicContact CG2-CB 3.65Å; T287-D1000 WeakPolarHBondContact CG2-O 3.13Å
288Q26.9Very low28Very low172 Ų172135.4 Ų135.480%0.80470%0.704SS**  -178.6144108.4-98.6-176.511.900113.6
289T24Very low28Very low118 Ų118132.6 Ų132.672%0.72469%0.694SS**  trans-19.7130.5165.853.60000118.4
290I31Very low27.9Very low166 Ų166126.6 Ų126.685%0.85167%0.669SS**  -163.5156.9119.3-104.8160.2000112.7
291R28.3Very low28Very low225 Ų225124.6 Ų124.685%0.84966%0.66SS**  trans-52.8139.3-178.8-68.7168.1-170.8134.71.5113.1
292N26.5Very low28.1Very low138 Ų138121.9 Ų121.974%0.73865%0.645SS**  91.6144.656.5-156.212.1000112.9
293L27.8Very low28.6Very low141 Ų141124 Ų12474%0.73864%0.643SS**  trans65.1130.9-172.1-75.769.3000115.1
294S29.4Very low28.9Very low102 Ų102122.6 Ų122.671%0.71364%0.635SS**  cis80.3118.421.4-43.80000116.5
295T26.2Very low29.1Very low145 Ų145125 Ų12589%0.8965%0.648SS**  trans-169.8146.5139.611.60000112
296N37.6Very low29.3Very low154 Ų154129.2 Ų129.282%0.82466%0.657SS**  trans-100.7164.9171.4-76.4-62.5000110.8
297L27.6Very low29.4Very low126 Ų126128 Ų12866%0.6667%0.667SS**  trans-157148.1163.3-110145.8000113.1L332L297-L332 HydrophobicContact CD2-CD2 4.34Å
298I33.1Very low30Very low112 Ų112131.4 Ų131.457%0.57469%0.688SS**  trans-131167.2-154.2-38.9176.1000113.4K331 L332I298-K331 VanDerWaalsContact O-CG 3.29Å; I298-K331 WeakPolarHBondContact O-CG 3.46Å; I298-L332 PolarHBondContact O-N 2.79Å
299N26.4Very low30.2Very low100 Ų100131 Ų13154%0.53569%0.69SS.*  trans111.6171.6135.9-155.58.8000120.8S330 K331 L332N299-S330 CarbonylContact O-C 3.59Å; N299-S330 WeakPolarHBondContact O-CA 3.38Å; N299-S330 PolarHBondContact O-OG 2.87Å; N299-K331 PolarHBondContact O-N 2.75Å; N299-L332 PolarHBondContact ND2-O 2.95Å
300G27.1Very low30.5Very low18 Ų18130.4 Ų130.419%0.18669%0.691CS.*  trans101.2-174.6145.600000126.6C329 S330G300-C329 VanDerWaalsContact C-C 3.47Å; G300-C329 VanDerWaalsContact C-CA 3.49Å; G300-C329 WeakPolarHBondContact O-CA 3.48Å; G300-C329 PolarHBondContact O-N 2.82Å; G300-S330 VanDerWaalsContact C-CA 3.45Å
301N30Very low30.6Very low96 Ų96128.8 Ų128.851%0.51369%0.689SS.*  trans-144.8143.2-157.8-47.3-81.6000117.1N328 C329 S330N301-N328 HydrophobicContact CB-CB 4.36Å; N301-N328 PolarHBondContact OD1-ND2 3.19Å; N301-C329 VanDerWaalsContact C-C 3.4Å; N301-C329 CarbonylContact C-O 3.52Å; N301-C329 VanDerWaalsContact CA-C 3.5Å; N301-C329 VanDerWaalsContact O-O 3.05Å; N301-S330 VanDerWaalsContact N-N 3.15Å
302N31.1Very low30.7Very low100 Ų100121.2 Ų121.254%0.53568%0.681SS.*  179.5143.363.9-95.7-81.9000118.8M327 C329N302-M327 CarbonylContact C-O 2.88Å; N302-M327 WeakPolarHBondContact CA-O 3.5Å; N302-C329 PolarHBondContact N-O 2.85Å; N302-C329 VanDerWaalsContact N-O 3.07Å
303K33.6Very low30.8Very low131 Ų131123.3 Ų123.357%0.5769%0.686SS**  trans60.5129133.6-67.9175.3-176.9127.20133.6S326 M327K303-S326 WeakPolarHBondContact CE-O 3.3Å; K303-S326 WeakPolarHBondContact CG-O 3.47Å; K303-M327 PolarHBondContact N-O 2.99Å
304Y33.2Very low30.8Very low115 Ų115127.7 Ų127.745%0.45169%0.693SS.*  58.5132.9128.7-75.5-49.4000131.4K325 S326Y304-K325 HydrophobicContact CE2-CB 4.18Å; Y304-K325 HydrophobicContact CE2-CD 4.44Å; Y304-K325 VanDerWaalsContact OH-CA 3.32Å; Y304-K325 WeakPolarHBondContact OH-CA 3.3Å; Y304-K325 WeakPolarHBondContact OH-CB 3.29Å; Y304-K325 VanDerWaalsContact OH-CG 3.31Å; Y304-K325 WeakPolarHBondContact OH-CG 3.46Å; Y304-S326 VanDerWaalsContact CE2-O 3.31Å; Y304-S326 WeakPolarHBondContact CE2-O 3.16Å; Y304-S326 PolarHBondContact OH-N 3.41Å; Y304-S326 PolarHBondContact OH-OG 3.18Å
305N29.3Very low30.6Very low152 Ų152126.5 Ų126.581%0.81370%0.697SS**  -176.9-177.6106.4-116.3-45.5000119.3
306R30.2Very low31.1Very low241 Ų241131.2 Ų131.291%0.90970%0.698SS**  trans-50.1166.7-174.4-58.4169.4172.2163.9-5.3119
307G32.5Very low31.8Very low72 Ų72129.2 Ų129.274%0.74269%0.694SS**  cis134.9113.1-17.400000119.1
308T37.8Very low32.3Very low136 Ų136128.8 Ų128.883%0.83470%0.698SS**  trans-157.5148.4169.742.60000115.5
309L31Very low31.9Very low162 Ų162126.5 Ų126.585%0.84870%0.702SS**  trans53.3114.7161-63.3166.8000119.3
310S30.1Very low32.2Very low106 Ų106128.1 Ų128.174%0.74172%0.721SS**  7811480.9-150.30000112.1
311V34.4Very low32.2Very low132 Ų132130.8 Ų130.880%0.875%0.749SS**  cis-148.5146.522.7177.50000108.8
312G28.9Very low32.2Very low66 Ų66136.4 Ų136.468%0.6876%0.763SS**  cis105.9105.3-14.700000116.1
313Q29.9Very low32.1Very low182 Ų182141.3 Ų141.385%0.8577%0.774SS**  cis-148-145.37-70176.7-5.400107.6
314R27.3Very low31.8Very low234 Ų234142.3 Ų142.388%0.88378%0.781SS**  cis-153.9172.59.2-64.3-179.6-179.7162.93107.7
315G25.5Very low31.4Very low77 Ų77144.6 Ų144.679%0.79479%0.793SS**  cis162.7127.5-11.500000114.3
316R37.3Very low31.4Very low244 Ų244140.3 Ų140.392%0.92178%0.775SS**  trans-88.1-172154.8-83.2-175.6169.9-160.5-0.5109
317P51.6Low31.3Very low112 Ų112134.7 Ų134.773%0.72776%0.76SS**  cis-110.6-108.9-29.916.46.8000111.2
318P37.1Very low31.1Very low117 Ų117136.3 Ų136.376%0.7675%0.752SS**  cis-134.1165.838.841.8-25000117.1
319G25.6Very low30.5Very low63 Ų63134.3 Ų134.365%0.64974%0.743SS**  trans-101.2152.1142.900000108.6
320S31.7Very low30.1Very low134 Ų134130 Ų13094%0.93773%0.726SS**  trans-61.9143.6175.448.20000110.7
321G27.3Very low29.8Very low75 Ų75131.4 Ų131.477%0.77372%0.719SS**  trans-160.4163.8-173.500000115.9
322R30.2Very low29.5Very low214 Ų214130.7 Ų130.781%0.80871%0.71SS**  trans-159.2125.4165.9-120.8-178-179.4-165.42.7111
323R28.8Very low29.3Very low203 Ų203132.7 Ų132.777%0.76671%0.705SS**  trans53.2149.3143.7-69176.6178.4-173.3-2.1120.6
324Q27.4Very low29.1Very low152 Ų152132.8 Ų132.871%0.7171%0.705SS**  cis-172.1144.2-30.3-125-17711.400111
325K26.4Very low29Very low163 Ų163128.3 Ų128.371%0.70970%0.699SS**  trans79.6150.9153.4-64.7-172.1178.2-177.30120.9Y304Y304-K325 HydrophobicContact CE2-CB 4.18Å; Y304-K325 HydrophobicContact CE2-CD 4.44Å; Y304-K325 VanDerWaalsContact OH-CA 3.32Å; Y304-K325 WeakPolarHBondContact OH-CA 3.3Å; Y304-K325 WeakPolarHBondContact OH-CB 3.29Å; Y304-K325 VanDerWaalsContact OH-CG 3.31Å; Y304-K325 WeakPolarHBondContact OH-CG 3.46Å
326S27.9Very low29.1Very low62 Ų62130.7 Ų130.743%0.43470%0.698SS.*  trans-126.5-159.3-162.650.60000112.2K303 Y304K303-S326 WeakPolarHBondContact CE-O 3.3Å; K303-S326 WeakPolarHBondContact CG-O 3.47Å; Y304-S326 VanDerWaalsContact CE2-O 3.31Å; Y304-S326 WeakPolarHBondContact CE2-O 3.16Å; Y304-S326 PolarHBondContact OH-N 3.41Å; Y304-S326 PolarHBondContact OH-OG 3.18Å
327M29Very low28.6Very low122 Ų122125.4 Ų125.460%0.60169%0.688SS**  cis-163.1163.615.9-172170.3170.900109.7N302 K303N302-M327 CarbonylContact C-O 2.88Å; N302-M327 WeakPolarHBondContact CA-O 3.5Å; K303-M327 PolarHBondContact N-O 2.99Å
328N28.6Very low27.3Very low106 Ų106130.3 Ų130.357%0.56770%0.698SS**  trans-143.5133.2-152.4-42.966000118.3N301N301-N328 HydrophobicContact CB-CB 4.36Å; N301-N328 PolarHBondContact OD1-ND2 3.19Å
329C24.8Very low26.6Very low94 Ų94131 Ų13164%0.63570%0.695SS**  trans-173.6141.5151.6-151.10000110.3G300 N301 N302G300-C329 VanDerWaalsContact C-C 3.47Å; G300-C329 VanDerWaalsContact C-CA 3.49Å; G300-C329 WeakPolarHBondContact O-CA 3.48Å; G300-C329 PolarHBondContact O-N 2.82Å; N301-C329 VanDerWaalsContact C-C 3.4Å; N301-C329 CarbonylContact C-O 3.52Å; N301-C329 VanDerWaalsContact CA-C 3.5Å; N301-C329 VanDerWaalsContact O-O 3.05Å; N302-C329 PolarHBondContact N-O 2.85Å; N302-C329 VanDerWaalsContact N-O 3.07Å
330S23.1Very low26.8Very low71 Ų71134.1 Ų134.150%0.49770%0.696SS.*  cis-155.9164.69.6-162.20000116.4N299 G300 N301N299-S330 CarbonylContact O-C 3.59Å; N299-S330 WeakPolarHBondContact O-CA 3.38Å; N299-S330 PolarHBondContact O-OG 2.87Å; G300-S330 VanDerWaalsContact C-CA 3.45Å; N301-S330 VanDerWaalsContact N-N 3.15Å
331K23.6Very low26.5Very low136 Ų136134.5 Ų134.559%0.59168%0.683SS**  trans84.9151.2158.2-89.9169.1-176.2-177.70130.4I298 N299I298-K331 VanDerWaalsContact O-CG 3.29Å; I298-K331 WeakPolarHBondContact O-CG 3.46Å; N299-K331 PolarHBondContact O-N 2.75Å
332L26.8Very low26.5Very low118 Ų118136.5 Ų136.562%0.61868%0.676SS**  trans93.2163.6159.5-81.4169.4000123.9L297 I298 N299L297-L332 HydrophobicContact CD2-CD2 4.34Å; I298-L332 PolarHBondContact O-N 2.79Å; N299-L332 PolarHBondContact ND2-O 2.95Å
333N24.5Very low26.2Very low107 Ų107131.7 Ų131.757%0.57267%0.671SS**  trans-158.8145.4-154.3168.693000110.8
334E26.3Very low26.1Very low184 Ų184129.2 Ų129.286%0.8667%0.671SS**  trans-138.2122.6167.7-96.6177.6-173.200112.4
335N25.2Very low26.2Very low141 Ų141127.3 Ų127.375%0.75467%0.671SS**  trans-126.7132.9154.7-94.8-0.2000105.2
336V28.5Very low26.1Very low126 Ų126127.2 Ų127.276%0.76468%0.678SS**  trans-146.492.7162.8-179.50000104.5
337D25.6Very low26Very low134 Ų134128.1 Ų128.172%0.71770%0.696SS**  69.2121.593.2-63.3-40.4000114
338F24.7Very low25.9Very low214 Ų214129.2 Ų129.294%0.93971%0.705SS**  -145.2148.9118.9-124.3-81.3000110.6
339L23.6Very low25.6Very low133 Ų133131.2 Ų131.270%0.69672%0.715SS**  trans-117153.2-170.4-162.581.7000110.7
340N28.2Very low25.7Very low127 Ų127135.9 Ų135.968%0.67972%0.724SS**  trans162.7124.8141.2-80.4-3.4000108.7
341Q27Very low25.7Very low142 Ų142136.8 Ų136.866%0.66474%0.736SS**  69.1131.870.9-66.8-170.3-85.800113
342D25.8Very low25.7Very low117 Ų117140.1 Ų140.163%0.62675%0.754SS**  cis-164.9165.5-1-111.6-23000114.1
343T25.3Very low25.5Very low114 Ų114138.2 Ų138.270%0.69976%0.763SS**  trans68.6141.1146.748.10000127.2
344I26.3Very low25.5Very low150 Ų150141.1 Ų141.177%0.76978%0.778SS**  trans77.6136144.7-72.7161000117.4
345T28.2Very low25.4Very low113 Ų113136.6 Ų136.669%0.69377%0.773SS**  cis-150157.423.7-19.40000115.4
346N24.4Very low25.4Very low161 Ų161136.7 Ų136.786%0.86178%0.778SS**  trans1.8153.7153.6-51.1-10.4000123.8
347G27.2Very low25.1Very low80 Ų80140.7 Ų140.783%0.82578%0.78SS**  trans-170.922.6174.600000123.8
348N25.6Very low25.2Very low146 Ų146139.6 Ų139.678%0.78178%0.781SS**  trans13.2123.4163.3-89.6-3.7000125.1
349L23.8Very low25.1Very low147 Ų147135.3 Ų135.377%0.7777%0.772SS**  68.8150.8120.1-71.3172.4000125.9
350K26.1Very low25.2Very low192 Ų192135.2 Ų135.284%0.83578%0.777SS**  trans72.3125.9167.1-66.4179.5-179.8-177.80117.2
351A23Very low25Very low91 Ų91136.1 Ų136.175%0.75278%0.782SS**  cis98.611711.200000117.9
352E22.8Very low24.9Very low206 Ų206139 Ų13996%0.96379%0.788SS**  trans58.3144155.1-59.4-168.6162.300122.7
353G24.3Very low24.8Very low78 Ų78142 Ų14280%0.80480%0.798SS**  trans162.897.1173.900000113.3
354N23.8Very low25Very low168 Ų168141.5 Ų141.590%0.89880%0.795SS**  trans-71.7152.8-177.7-67-44.5000113.8
355A23.1Very low25.2Very low89 Ų89139.1 Ų139.174%0.73679%0.788SS**  166.5169.5104.400000115.6
356V26Very low25.5Very low142 Ų142139.4 Ų139.486%0.86178%0.784SS**  trans87.8129.1157.7-164.20000119
357Y22.6Very low26.1Very low210 Ų210134.6 Ų134.682%0.82476%0.763SS**  trans-80.2169.2173.5-82.7-103.2000112.5
358P26.5Very low26.7Very low112 Ų112135 Ų13573%0.72775%0.747SS**  -143161.3104.936.8-23.4000115.8
359V23.3Very low27.4Very low123 Ų123133.1 Ų133.175%0.74573%0.733SS**  trans-80.8142172.71740000111.1
360T25.8Very low28.2Very low132 Ų132129.9 Ų129.981%0.8171%0.714SS**  trans-148.3134.1157.542.40000111.7
361N23.6Very low29.1Very low145 Ų145125 Ų12578%0.77569%0.693SS**  trans-66.9159.2171.4-63.2-34.7000112.3
362Y25.5Very low30.1Very low203 Ų203123.3 Ų123.380%0.79668%0.679SS**  trans-160.3144.5135.9-102-63.3000113.2
363Q24.2Very low31.2Very low180 Ų180116.7 Ų116.784%0.84165%0.647SS**  trans-59.4144.3175.3-128.997.2-0.600112.3
364T29.1Very low32.2Very low104 Ų104113.5 Ų113.564%0.63861%0.612SS**  trans-132161.5157.9500000110.4
365T29.6Very low33.3Very low100 Ų100109.7 Ų109.761%0.61359%0.591SS**  trans-83.8123.7-165.235.40000113.5S367 D368T365-S367 VanDerWaalsContact C-N 3.25Å; T365-S367 PolarHBondContact O-N 2.97Å; T365-D368 PolarHBondContact O-N 3.11Å
366L34.7Very low34.4Very low118 Ų118109.1 Ų109.162%0.61857%0.574SS**Hα-helixtrans-45.9-41.2-173.4-165.173.1000114.7D368 Q369 Q370L366-D368 VanDerWaalsContact C-N 3.27Å; L366-D368 PolarHBondContact O-N 2.94Å; L366-Q369 PolarHBondContact O-N 2.78Å; L366-Q370 HydrophobicContact CG-CG 4.47Å; L366-Q370 WeakPolarHBondContact O-CB 3.35Å; L366-Q370 WeakPolarHBondContact O-CG 3.21Å; L366-Q370 PolarHBondContact O-N 3.07Å
367S38Very low35.4Very low60 Ų60103.3 Ų103.342%0.4254%0.537SS..Hα-helixtrans-59.3-33.6-177.9-172.90000113.8T365 K371T365-S367 VanDerWaalsContact C-N 3.25Å; T365-S367 PolarHBondContact O-N 2.97Å; S367-K371 VanDerWaalsContact O-CG 3.31Å; S367-K371 WeakPolarHBondContact O-CG 3.43Å; S367-K371 PolarHBondContact O-N 2.95Å; S367-K371 VanDerWaalsContact O-N 3.14Å; S367-K371 WeakPolarHBondContact OG-CE 3.44Å; S367-K371 PolarHBondContact OG-NZ 2.97Å
368D39.7Very low36.3Very low89 Ų8995.3 Ų95.348%0.47651%0.508SS..Hα-helixtrans-89.9-26.8-177.6-61-41.3000112T365 L366 K371 A372T365-D368 PolarHBondContact O-N 3.11Å; L366-D368 VanDerWaalsContact C-N 3.27Å; L366-D368 PolarHBondContact O-N 2.94Å; D368-K371 PolarHBondContact O-N 3.42Å; D368-K371 IonicContact OD1-NZ 2.75Å; D368-K371 PolarHBondContact OD1-NZ 3.44Å; D368-A372 WeakPolarHBondContact O-CB 3.35Å; D368-A372 PolarHBondContact O-N 3.19Å
369Q40.7Very low37Very low107 Ų10792.4 Ų92.450%0.549%0.487SS..Hα-helixtrans-64.3-43.1164.7-69.6-176.1-77.300111.1L366 K371 A372 F373L366-Q369 PolarHBondContact O-N 2.78Å; Q369-K371 PolarHBondContact O-N 3.31Å; Q369-A372 WeakPolarHBondContact O-CB 3.26Å; Q369-A372 PolarHBondContact O-N 3.4Å; Q369-F373 WeakPolarHBondContact O-CB 3.41Å; Q369-F373 PolarHBondContact O-N 3.08Å
370Q39.3Very low37.6Very low78 Ų7888.8 Ų88.836%0.36447%0.466SS..Hα-helixtrans-61.5-42.1174.8-74.1172.1-28.400111.9L366 F373 L374L366-Q370 HydrophobicContact CG-CG 4.47Å; L366-Q370 WeakPolarHBondContact O-CB 3.35Å; L366-Q370 WeakPolarHBondContact O-CG 3.21Å; L366-Q370 PolarHBondContact O-N 3.07Å; Q370-F373 PolarHBondContact O-N 2.91Å; Q370-L374 WeakPolarHBondContact O-CB 3.29Å; Q370-L374 WeakPolarHBondContact O-CD1 3.23Å; Q370-L374 WeakPolarHBondContact O-CG 3.48Å; Q370-L374 PolarHBondContact O-N 3.48Å
371K44.7Very low37.8Very low89 Ų8982.6 Ų82.639%0.38743%0.429SS..Hα-helixtrans-66.1-35.6173.1-70.8167.9-153.6142.70113S367 D368 Q369 N375S367-K371 VanDerWaalsContact O-CG 3.31Å; S367-K371 WeakPolarHBondContact O-CG 3.43Å; S367-K371 PolarHBondContact O-N 2.95Å; S367-K371 VanDerWaalsContact O-N 3.14Å; S367-K371 WeakPolarHBondContact OG-CE 3.44Å; S367-K371 PolarHBondContact OG-NZ 2.97Å; D368-K371 PolarHBondContact O-N 3.42Å; D368-K371 IonicContact OD1-NZ 2.75Å; D368-K371 PolarHBondContact OD1-NZ 3.44Å; Q369-K371 PolarHBondContact O-N 3.31Å; K371-N375 PolarHBondContact O-N 3.33Å; K371-N375 PolarHBondContact O-ND2 2.85Å
372A44.8Very low38Very low56 Ų5679.3 Ų79.346%0.46342%0.422SS..Hα-helixtrans-65.1-48.1174.100000110.9D368 Q369 L374 N375 E376D368-A372 WeakPolarHBondContact O-CB 3.35Å; D368-A372 PolarHBondContact O-N 3.19Å; Q369-A372 WeakPolarHBondContact O-CB 3.26Å; Q369-A372 PolarHBondContact O-N 3.4Å; A372-L374 PolarHBondContact O-N 3.46Å; A372-N375 CarbonylContact O-C 3.52Å; A372-N375 WeakPolarHBondContact O-CA 3.45Å; A372-N375 WeakPolarHBondContact O-CB 3.34Å; A372-N375 PolarHBondContact O-N 3.43Å; A372-E376 PolarHBondContact O-N 2.87Å
373F46.7Very low38.1Very low67 Ų6772.7 Ų72.729%0.29441%0.409SS..Hα-helixtrans-58.9-44.5176.8-178.5-102000112.8Q369 Q370 N375 E376 M377 Q1590Q369-F373 WeakPolarHBondContact O-CB 3.41Å; Q369-F373 PolarHBondContact O-N 3.08Å; Q370-F373 PolarHBondContact O-N 2.91Å; F373-N375 PolarHBondContact O-N 3.42Å; F373-E376 PolarHBondContact O-N 3.13Å; F373-E376 VanDerWaalsContact O-N 3.15Å; F373-M377 PolarHBondContact O-N 2.99Å; F373-Q1590 HydrophobicContact CZ-CB 3.97Å; F373-Q1590 HydrophobicContact CZ-CG 4.43Å
374L44Very low38.2Very low11 Ų1166.5 Ų66.56%0.05839%0.389CS..Hα-helixtrans-57-35.8172.8-77.9164.3000112.9Q370 A372 F1594 E1758Q370-L374 WeakPolarHBondContact O-CB 3.29Å; Q370-L374 WeakPolarHBondContact O-CD1 3.23Å; Q370-L374 WeakPolarHBondContact O-CG 3.48Å; Q370-L374 PolarHBondContact O-N 3.48Å; A372-L374 PolarHBondContact O-N 3.46Å; L374-F1594 HydrophobicContact CD2-CD2 3.44Å; L374-F1594 VanDerWaalsContact CD2-CD2 3.44Å; L374-F1594 HydrophobicContact CD2-CE2 3.36Å; L374-E1758 WeakPolarHBondContact CD1-OE1 3.35Å
375N47.2Very low38.1Very low89 Ų8967 Ų6748%0.47639%0.392SS..Hα-helixtrans-76.9-42.9174.1-80.2-88000111.6K371 A372 F373 M377 L378 L379K371-N375 PolarHBondContact O-N 3.33Å; K371-N375 PolarHBondContact O-ND2 2.85Å; A372-N375 CarbonylContact O-C 3.52Å; A372-N375 WeakPolarHBondContact O-CA 3.45Å; A372-N375 WeakPolarHBondContact O-CB 3.34Å; A372-N375 PolarHBondContact O-N 3.43Å; F373-N375 PolarHBondContact O-N 3.42Å; N375-M377 VanDerWaalsContact C-N 3.32Å; N375-M377 PolarHBondContact O-N 2.69Å; N375-L378 PolarHBondContact O-N 3.26Å; N375-L378 VanDerWaalsContact O-N 3.1Å; N375-L379 HydrophobicContact CB-CD1 4.42Å; N375-L379 WeakPolarHBondContact O-CB 3.43Å; N375-L379 VanDerWaalsContact O-CD1 3.28Å; N375-L379 WeakPolarHBondContact O-CD1 3.19Å; N375-L379 PolarHBondContact O-N 2.75Å
376E47.3Very low37.9Very low77 Ų7766.6 Ų66.636%0.3639%0.393SS..Hα-helixtrans-55.1-44.6175.5-74-138.7114.300112.6A372 F373 L378 L379 S380A372-E376 PolarHBondContact O-N 2.87Å; F373-E376 PolarHBondContact O-N 3.13Å; F373-E376 VanDerWaalsContact O-N 3.15Å; E376-L378 PolarHBondContact O-N 3.34Å; E376-L379 PolarHBondContact O-N 2.97Å; E376-S380 WeakPolarHBondContact O-CB 3.41Å; E376-S380 PolarHBondContact O-N 3.08Å; E376-S380 PolarHBondContact O-OG 3.47Å
377M47.1Very low37.4Very low19 Ų1965 Ų659%0.09440%0.396CS..Hα-helixtrans-56.8-24.8179-167.1176.96500113.1F373 N375 F1594 N1613F373-M377 PolarHBondContact O-N 2.99Å; N375-M377 VanDerWaalsContact C-N 3.32Å; N375-M377 PolarHBondContact O-N 2.69Å; M377-F1594 HydrophobicContact CE-CD1 3.76Å; M377-F1594 HydrophobicContact CE-CD2 3.8Å; M377-F1594 HydrophobicContact CE-CE1 3.68Å; M377-F1594 HydrophobicContact CE-CE2 3.71Å; M377-F1594 HydrophobicContact CE-CG 3.82Å; M377-F1594 HydrophobicContact CE-CZ 3.65Å; M377-F1594 HydrophobicContact SD-CD1 4.3Å; M377-F1594 HydrophobicContact SD-CG 4.32Å; M377-N1613 PolarHBondContact O-ND2 3.33Å
378L41.7Very low36.6Very low42 Ų4268.1 Ų68.122%0.2242%0.418CS..Hα-helixtrans-103.9-24.8172.8-88.2144.9000114.4N375 E376 A381 A382 L1757N375-L378 PolarHBondContact O-N 3.26Å; N375-L378 VanDerWaalsContact O-N 3.1Å; E376-L378 PolarHBondContact O-N 3.34Å; L378-A381 CarbonylContact O-C 3.53Å; L378-A381 PolarHBondContact O-N 2.99Å; L378-A382 PolarHBondContact O-N 3.29Å; L378-L1757 HydrophobicContact CD1-CD1 3.48Å; L378-L1757 VanDerWaalsContact CD1-CD1 3.48Å; L378-L1757 HydrophobicContact CD1-CD2 3.36Å; L378-L1757 HydrophobicContact CD1-CG 3.98Å
379L39.3Very low35.8Very low52 Ų5269.9 Ų69.927%0.27243%0.432SS..Hα-helixtrans-68.2-44.3174.2-98.660.7000111.7N375 E376 A381 A382 A383N375-L379 HydrophobicContact CB-CD1 4.42Å; N375-L379 WeakPolarHBondContact O-CB 3.43Å; N375-L379 VanDerWaalsContact O-CD1 3.28Å; N375-L379 WeakPolarHBondContact O-CD1 3.19Å; N375-L379 PolarHBondContact O-N 2.75Å; E376-L379 PolarHBondContact O-N 2.97Å; L379-A381 PolarHBondContact O-N 3.19Å; L379-A382 CarbonylContact O-C 3.6Å; L379-A382 WeakPolarHBondContact O-CA 3.3Å; L379-A382 WeakPolarHBondContact O-CB 3.3Å; L379-A382 PolarHBondContact O-N 3.01Å; L379-A383 PolarHBondContact O-N 3.36Å
380S37.1Very low35.1Very low46 Ų4670.7 Ų70.732%0.32245%0.445SS..Hα-helixtrans-61-36.6173.4-590000110.6E376 A382 A383 A384E376-S380 WeakPolarHBondContact O-CB 3.41Å; E376-S380 PolarHBondContact O-N 3.08Å; E376-S380 PolarHBondContact O-OG 3.47Å; S380-A382 PolarHBondContact O-N 3.03Å; S380-A383 PolarHBondContact O-N 2.94Å; S380-A384 PolarHBondContact O-N 2.83Å; S380-A384 VanDerWaalsContact O-N 3.08Å
381A29.1Very low34.3Very low2 Ų270.8 Ų70.82%0.01745%0.454CS..Hα-helixtrans-71.6-4174.100000115.4L378 L379 I1617 Q1667 K1671L378-A381 CarbonylContact O-C 3.53Å; L378-A381 PolarHBondContact O-N 2.99Å; L379-A381 PolarHBondContact O-N 3.19Å; A381-I1617 HydrophobicContact CB-CD1 3.6Å; A381-Q1667 VanDerWaalsContact CB-NE2 3.33Å; A381-Q1667 PolarHBondContact O-NE2 2.85Å; A381-K1671 WeakPolarHBondContact O-CE 3.27Å; A381-K1671 PolarHBondContact O-NZ 3.03Å
382A27.5Very low33.3Very low77 Ų7772.1 Ų72.164%0.63647%0.469SS*.Hα-helixtrans-107.3-10.3165.400000113.3L378 L379 S380L378-A382 PolarHBondContact O-N 3.29Å; L379-A382 CarbonylContact O-C 3.6Å; L379-A382 WeakPolarHBondContact O-CA 3.3Å; L379-A382 WeakPolarHBondContact O-CB 3.3Å; L379-A382 PolarHBondContact O-N 3.01Å; S380-A382 PolarHBondContact O-N 3.03Å
383A28.2Very low32.4Very low64 Ų6474 Ų7453%0.52948%0.479SS..Hα-helixtrans-91.8-29.2177.800000113.3L379 S380 V385 S386L379-A383 PolarHBondContact O-N 3.36Å; S380-A383 PolarHBondContact O-N 2.94Å; A383-V385 PolarHBondContact O-N 3.47Å; A383-S386 PolarHBondContact O-N 2.95Å
384A27.4Very low31.6Very low50 Ų5077.6 Ų77.641%0.41349%0.494SS..THydrogen-bonded Turntrans-66.729.4-177.700000116.2S380 I1617S380-A384 PolarHBondContact O-N 2.83Å; S380-A384 VanDerWaalsContact O-N 3.08Å; A384-I1617 HydrophobicContact CB-CD1 4.29Å; A384-I1617 HydrophobicContact CB-CG1 3.97Å; A384-I1617 HydrophobicContact CB-CG2 4.34Å
385V26.8Very low30.7Very low114 Ų11482.5 Ų82.569%0.69153%0.53SS*.THydrogen-bonded Turntrans-130.129.4173.7-161.70000109.9A383A383-V385 PolarHBondContact O-N 3.47Å
386S23.9Very low29.7Very low91 Ų9184.7 Ų84.764%0.63654%0.541SS*.SBendtrans-152.119.3-176.1-70.80000115.6A383A383-S386 PolarHBondContact O-N 2.95Å
387A24.5Very low28.8Very low84 Ų8487.7 Ų87.769%0.69456%0.56SS**  trans-148.1120.4169.500000111.8
388S21.6Very low27.7Very low126 Ų12697.1 Ų97.188%0.88159%0.594SS**  trans-154.640.7165.4-66.70000110.3
389T22.9Very low27.1Very low126 Ų126101.7 Ų101.777%0.77362%0.618SS**  trans-158.2135.1172.150.10000106.5
390V25.9Very low26.6Very low125 Ų125106.6 Ų106.676%0.75865%0.645SS**  cis-152.2169.7-7.4119.80000106.8
391S22.6Very low26.1Very low79 Ų79107.8 Ų107.855%0.55266%0.664SS**  trans-34.8139.5179580000117
392V24.6Very low26.1Very low118 Ų118113.2 Ų113.272%0.71570%0.702SS**  trans-105.5132.1158.1176.80000109
393S25.3Very low26.1Very low96 Ų96117.9 Ų117.967%0.67171%0.708SS**  trans-149.5144.2161.362.80000110.1
394K29.1Very low26.1Very low141 Ų141121.2 Ų121.261%0.61372%0.716SS**  trans141.4130.1144.1-80.8173.6178.5-1800113.2T164T164-K394 PolarHBondContact OG1-NZ 3.31Å
395S25.4Very low26.2Very low115 Ų115123.9 Ų123.980%0.80472%0.724SS**  trans-171.2147.5137.357.20000108.8
396D26.2Very low26.3Very low134 Ų134126 Ų12672%0.71773%0.726SS**  cis-172138.1-41.6-117.8-29.6000107.4
397N28.1Very low26.5Very low141 Ų141128 Ų12875%0.75474%0.735SS**  trans173.3141.7166.2-95-38.4000109.4
398R24.3Very low26.8Very low216 Ų216129 Ų12982%0.81574%0.737SS**  cis-165.5164.5-16.5-144.4179.1-175.3-179.3-1.1108.9
399L29.8Very low27Very low138 Ų138128.4 Ų128.472%0.72373%0.732SS**  trans79.7122.1162.2-57.6162.6000120.6
400N27.9Very low27.9Very low156 Ų156128.1 Ų128.183%0.83473%0.733SS**  28144.8126.5-46-11.4000120.9
401G26.6Very low28.1Very low70 Ų70126.7 Ų126.772%0.72273%0.734SS**  cis147157.3-200000113.5
402S29.3Very low28.5Very low117 Ų117126.9 Ų126.982%0.81874%0.74SS**  trans69.7153.8176.7-85.30000119.1
403F27.2Very low28.7Very low174 Ų174128 Ų12876%0.76375%0.748SS**  cis-179.1144.9-38.1-119.1-43.6000111.3
404I29.7Very low29.2Very low134 Ų134129 Ų12969%0.68775%0.754SS**  trans65.2146.2142.2-87.1163.5000119.2
405N29.2Very low29Very low107 Ų107127.6 Ų127.657%0.57276%0.762SS**  cis-161.5160.61.6-127.3-10.1000114
406Q28.4Very low29.6Very low158 Ų158127.5 Ų127.574%0.73876%0.759SS**  trans54144.1144.3-66.8162.5-100120
407T28.4Very low29.7Very low134 Ų134125.7 Ų125.782%0.82276%0.757SS**  cis-158.4-170.916.9-13.90000108.3
408S29.5Very low29.6Very low105 Ų105127.5 Ų127.573%0.73476%0.758SS**  cis-158-157.15.356.50000111.1
409S27.2Very low29.7Very low113 Ų113126.2 Ų126.279%0.7976%0.759SS**  trans-165.3-164.5-175.8-68.50000109.6
410P41.3Very low29.5Very low120 Ų120124.2 Ų124.278%0.77976%0.762SS**  cis-145.9-168.1-0.644.6-23.8000118.3
411A30.2Very low29.5Very low95 Ų95120.5 Ų120.579%0.78575%0.748SS**  trans78.4150147.300000122.1
412A30.2Very low30.2Very low82 Ų82122.6 Ų122.668%0.67875%0.749SS**  cis-170.9176.8-16.800000114.1
413T30.3Very low30.3Very low143 Ų143122.7 Ų122.788%0.87775%0.745SS**  trans80.2150.1166.6760000118.4
414S34Very low30.6Very low116 Ų116121.8 Ų121.881%0.81175%0.747SS**  cis-152.4177.40.556.20000113.7
415S25.5Very low30.6Very low112 Ų112123.5 Ų123.578%0.78376%0.757SS**  trans-132.6-168.3-178.3-29.60000111.6
416P39Very low30.8Very low113 Ų113121.7 Ų121.773%0.73476%0.764SS**  cis-141.4-168.1-21.338.2-16.4000116.2
417S28Very low31Very low96 Ų96123.8 Ų123.867%0.67177%0.773SS**  trans94117.8134.665.90000128
418F25.4Very low31Very low178 Ų178125.3 Ų125.378%0.78178%0.776SS**  82.1146.2125.4-88.2-101.1000128.4
419F26.8Very low31.5Very low190 Ų190125.2 Ų125.283%0.83377%0.773SS**  trans65.2162.8163.6-59.8-64.8000120.4
420A25.8Very low31.7Very low95 Ų95125.1 Ų125.179%0.78577%0.772SS**  cis-165.4172.3-34.200000112.1
421S27.4Very low31.2Very low79 Ų79126.9 Ų126.955%0.55278%0.775SS**  trans-102.8-174-170.5-12.10000115.3
422P42.3Very low31.2Very low114 Ų114129.2 Ų129.274%0.7477%0.774SS**  cis-141.3-169.5-20.937.5-15.7000116.2
423T31.2Very low31.3Very low118 Ų118130 Ų13072%0.72477%0.774SS**  trans137.3115.7135.4-54.10000121.5
424L33.6Very low31.3Very low156 Ų156128.9 Ų128.982%0.81776%0.763SS**  trans61.4148.3147.8-75.8168.5000128.6
425L29.3Very low31.7Very low170 Ų170128.2 Ų128.289%0.8976%0.756SS**  trans80155.9167.3-94.765000120.2
426G32.4Very low31.9Very low69 Ų69128.4 Ų128.471%0.71175%0.753SS**  cis169.6154.5-11.700000117.9
427Q32.5Very low31.4Very low202 Ų202132 Ų13294%0.94476%0.757SS**  trans71.3165.1168.7-70.1-170.3-10.500122.3
428L28.8Very low31.1Very low166 Ų166132.6 Ų132.687%0.86976%0.761SS**  trans-143.6-172.7-160.7-121.784.2000110.5
429P40Very low31.6Very low103 Ų103129 Ų12967%0.66976%0.756SS**  cis-135.8174.6-2.643-26.3000116.5
430S32.6Very low31.5Very low111 Ų111128.5 Ų128.578%0.77675%0.753SS**  154147124.156.60000116.2
431N30.8Very low31.5Very low157 Ų157129 Ų12984%0.8475%0.747SS**  trans-11.8138.8171.5-49.78.5000118.1
432D30.4Very low31.4Very low143 Ų143128.1 Ų128.177%0.76574%0.736SS**  cis-164.6-160.3-13.2-155.5-137.4000106
433S31.6Very low30.7Very low98 Ų98127.4 Ų127.469%0.68573%0.725SS**  cis-150.6-144.77.2710000113.9
434N29.3Very low30.6Very low121 Ų121125.3 Ų125.365%0.64771%0.709SS**  trans-159.5167.2-149.8-85-62.1000112.7
435P42.6Very low30.2Very low101 Ų101124.1 Ų124.166%0.65670%0.704SS**  cis-144.4154.9-38.839.4-22.7000116.3
436T29.7Very low30Very low117 Ų117122.6 Ų122.672%0.71870%0.695SS**  trans-55.5173.4151.158.50000114
437K29Very low29.8Very low187 Ų187126 Ų12681%0.81370%0.702SS**  -166.4153.4112.2-109151.1-170165.10119.1
438S21.2Very low29.6Very low109 Ų109120.1 Ų120.176%0.76270%0.696SS**  trans-133.2-171.8161.4780000106.9
439P35.9Very low29.4Very low104 Ų104119.8 Ų119.868%0.67569%0.694SS**  trans-115.2-176.8-135.627.4-6.1000117.6
440F25Very low29.1Very low178 Ų178119.8 Ų119.878%0.78169%0.694SS**  trans86.2113.2166.1-73.9-83.7000120.8
441T26.6Very low28.9Very low105 Ų105121.4 Ų121.464%0.64469%0.694SS**  trans38.7140133.660.50000121.7
442L25.9Very low28.7Very low62 Ų62119.8 Ų119.833%0.32568%0.684SS.*  cis-165.9122.5-0.3-110.2161.2000108.7N268 N270N268-L442 WeakPolarHBondContact OD1-CD2 3.35Å; N270-L442 HydrophobicContact CB-CB 3.78Å
443L26.8Very low28.9Very low99 Ų99117.4 Ų117.452%0.51868%0.677SS.*  trans48168131-10263.4000121.1N268 S269N268-L443 HydrophobicContact CB-CD2 4.23Å; S269-L443 VanDerWaalsContact OG-C 3.26Å; S269-L443 PolarHBondContact OG-O 2.88Å
444N28.8Very low28.5Very low73 Ų73120 Ų12039%0.3968%0.676SS.*  cis-160.1159.5-6.2-179.134.8000108.5I267 S269I267-N444 VanDerWaalsContact CG2-ND2 3.3Å; I267-N444 WeakPolarHBondContact CG2-ND2 3.45Å; S269-N444 WeakPolarHBondContact OG-CB 3.31Å; S269-N444 PolarHBondContact OG-N 2.68Å
445N24.5Very low28.2Very low132 Ų132121.7 Ų121.771%0.70668%0.68SS**  trans-172.5137136.3-115.4-25000114.3
446I25.8Very low27.4Very low138 Ų138123.1 Ų123.171%0.70868%0.681SS**  trans66.1135.8154.1-56.6167.1000115.1
447T27.3Very low27.2Very low140 Ų140123 Ų12386%0.85968%0.682SS**  cis-138149.99.9-6.30000108.7
448G29Very low27Very low78 Ų78119.4 Ų119.480%0.80468%0.676SS**  trans167.567.3172.600000117
449L25.5Very low27.1Very low160 Ų160120.4 Ų120.484%0.83867%0.673SS**  trans-129.1142.6166.8-93.9169.5000108.2
450P32.5Very low26.8Very low103 Ų103121.3 Ų121.367%0.66968%0.676SS**  -148.8165.791.840.3-24.6000116.3
451N29.2Very low27.1Very low144 Ų144118.3 Ų118.377%0.7768%0.675SS**  trans58.6124.1150.2-59.4-9.2000118.8
452I26.2Very low27.2Very low124 Ų124121.5 Ų121.564%0.63668%0.682SS**  cis64.7127.332.9-79.2173.5000113.9
453P34Very low27.2Very low93 Ų93124.2 Ų124.260%0.60470%0.696SS**  cis-149.6-167.4-20.245.4-26.7000116
454F23.1Very low27.3Very low153 Ų153125.4 Ų125.467%0.67170%0.703SS**  trans39.5141.6148.8-66.6-60.9000121.5L262L262-F454 HydrophobicContact CD2-CE2 3.76Å; L262-F454 HydrophobicContact CD2-CZ 4.36Å
455Q23.7Very low27.3Very low155 Ų155127.6 Ų127.672%0.72472%0.723SS**  -174.416971.9-1726516.200111.5
456L25.9Very low27.5Very low131 Ų131125.6 Ų125.669%0.68672%0.719SS**  trans-70.2158.9165.8-56.391.7000112.8
457P26.4Very low27.6Very low115 Ų115124.7 Ų124.775%0.74773%0.725SS**  -135.4159.2122.936.3-25.9000112.7
458V23.3Very low27.6Very low111 Ų111121.2 Ų121.267%0.67372%0.717SS**  cis52.694.3-6-1680000113.8
459N24.7Very low27.6Very low131 Ų131123.9 Ų123.970%0.70172%0.718SS**  cis-166.917035.1-117.2-5.8000111.9
460T28.2Very low27.7Very low122 Ų122121.9 Ų121.975%0.74871%0.712SS**  trans50.9129.7151.651.90000121
461P31Very low27.5Very low116 Ų116123 Ų12375%0.75372%0.717SS**  trans-91.2174.8173.540.1-37.2000113.5
462Q29Very low27.6Very low171 Ų171120.9 Ų120.980%0.79971%0.714SS**  trans75.7140.3160.8-63.5-151.9-12.100118.1
463I27.4Very low27.9Very low119 Ų119122.6 Ų122.661%0.6172%0.723SS**  cis-152160.2-10.8-128.2175.5000112.8
464N27.5Very low28.2Very low125 Ų125123 Ų12367%0.66873%0.726SS**  trans6138.6159.8-46.7-19.1000120.7
465C28.7Very low28.6Very low119 Ų119122 Ų12280%0.80473%0.732SS**  -150117.994.2-101.70000109.6
466S29.7Very low29Very low89 Ų89120.1 Ų120.162%0.62274%0.736SS**  80.590.990-62.60000111.4
467S27.7Very low29.3Very low120 Ų120117.4 Ų117.484%0.83974%0.739SS**  86.610677.866.20000112.9
468G27.4Very low29.5Very low67 Ų67119.6 Ų119.669%0.69174%0.743SS**  trans161.4115.1175.300000113.8
469T28.7Very low30Very low134 Ų134121.8 Ų121.882%0.82275%0.746SS**  trans31.596.7145.69.10000119.8
470T27.4Very low30.2Very low117 Ų117122.9 Ų122.972%0.71875%0.747SS**  trans36.5125.113057.40000121.6
471T29.6Very low30.6Very low126 Ų126124.7 Ų124.777%0.77375%0.751SS**  trans73118.214451.60000121.9
472S31.1Very low30.5Very low100 Ų100124.5 Ų124.570%0.69975%0.752SS**  trans72.1105.9142.651.10000123.4
473I31.8Very low30.5Very low161 Ų161122 Ų12283%0.82675%0.751SS**  63.4130.6109.5-69.3161000119.4
474P40.9Very low30.6Very low102 Ų102121.2 Ų121.266%0.66276%0.756SS**  -138.1-165.7-57.136.1-12.6000114
475T30.5Very low30.7Very low131 Ų131121 Ų12180%0.80476%0.764SS**  trans72153.6165.166.60000120.2
476S31.2Very low30.7Very low116 Ų116120.7 Ų120.781%0.81176%0.763SS**  cis-176.8132-48.250.30000113.4
477G32.3Very low30.6Very low73 Ų73121.9 Ų121.975%0.75377%0.772SS**  trans151.9116.7152.100000123.8
478I31.3Very low30.9Very low161 Ų161119 Ų11983%0.82676%0.762SS**  trans67.6148134-29.4-173000123.3
479H34.9Very low30.8Very low158 Ų158124.8 Ų124.873%0.73178%0.775SS**  trans77.6143.5170.8-78.6-89.9000118.4
480E28.2Very low30.5Very low154 Ų154121.7 Ų121.772%0.7277%0.771SS**  cis-167.2-175.6-24.9-145.3178.7-177.900111.3
481L36.8Very low30.4Very low159 Ų159123.7 Ų123.783%0.83278%0.776SS**  trans78.4161.5173.1-55.4176.9000117.4
482S28.3Very low30.2Very low113 Ų113121.9 Ų121.979%0.7977%0.768SS**  trans-146.9160.8-160.8-39.80000111.2
483P29.9Very low30.1Very low117 Ų117122.6 Ų122.676%0.7677%0.773SS**  -139.3149.465.839.1-23.3000116.9
484S27.8Very low29.7Very low103 Ų103121.1 Ų121.172%0.7277%0.771SS**  trans49.6134.9147.659.80000121.8
485S30.7Very low29Very low120 Ų120123.7 Ų123.784%0.83978%0.78SS**  cis-159.9140.4-10.1-85.40000109.5
486S29.3Very low28.9Very low113 Ų113122.5 Ų122.579%0.7978%0.777SS**  trans-136.3-157.1173.268.90000109.9
487S27Very low29.5Very low114 Ų114121.6 Ų121.680%0.79777%0.768SS**  trans73.2145.5-174.877.20000115.6
488G33.8Very low29.1Very low61 Ų61126.6 Ų126.663%0.62977%0.77SS**  cis105.2151.4-1.400000114.1
489L24.9Very low28.8Very low187 Ų187126.2 Ų126.298%0.97976%0.764SS**  trans71.1140.5-166.6-49.9174.1000113.5
490G23.6Very low28.4Very low70 Ų70124.2 Ų124.272%0.72276%0.763SS**  trans174.423.9-172.200000120.4
491L24.5Very low28.3Very low159 Ų159122 Ų12283%0.83277%0.765SS**  trans61.3116.5160.3-55.5-179.4000117.7
492S25.8Very low27.9Very low87 Ų87120.4 Ų120.461%0.60876%0.762SS**  58.497.973.385.60000112.5
493S27.6Very low28Very low116 Ų116122.9 Ų122.981%0.81177%0.765SS**  84.1152.481.771.50000114.4
494V24.8Very low28Very low129 Ų129123.7 Ų123.778%0.78277%0.767SS**  trans-72.4129.9-177.6-162.20000110.9
495N25.4Very low28Very low156 Ų156124.8 Ų124.883%0.83477%0.769SS**  173.2160.4127-84.1-21.5000112
496S28.9Very low28Very low107 Ų107124.8 Ų124.875%0.74877%0.765SS**  trans-103.6178.2179.558.30000111.4
497P43.7Very low27.8Very low96 Ų96125.4 Ų125.462%0.62376%0.764SS**  cis-131.2-168.7-18.6197.2000112.7
498F25Very low27.7Very low179 Ų179127.5 Ų127.579%0.78577%0.765SS**  trans68.9148.7161.6-69.2-67.7000117.3
499E24.1Very low27.3Very low152 Ų152128.2 Ų128.271%0.7177%0.765SS**  cis-154.4179.5-12.3-147.2157.9-150.700111
500T26.1Very low27.3Very low117 Ų117126.5 Ų126.572%0.71876%0.757SS**  trans-3.8154.6157.8450000121.7
501S26.3Very low27.3Very low108 Ų108129 Ų12976%0.75576%0.759SS**  cis-173.1-177.22.847.20000113
502T28.4Very low27.3Very low124 Ų124127.1 Ų127.176%0.76175%0.754SS**  trans-60.2156.7171.550.20000116.6
503I31.3Very low27.2Very low166 Ų166131.2 Ų131.285%0.85176%0.76SS**  trans-163.2156.1133.9-105.3156000111
504T28.8Very low27.1Very low133 Ų133133 Ų13382%0.81676%0.758SS**  trans-131.116517949.70000112.2
505V28.7Very low27.2Very low126 Ų126131.4 Ų131.476%0.76475%0.753SS**  trans-134.3113.7163.3-167.10000105.5
506T29.1Very low27.3Very low121 Ų121129.6 Ų129.674%0.74275%0.752SS**  39.5134100.914.70000115.2
507T26.9Very low27.9Very low125 Ų125129.8 Ų129.877%0.76775%0.751SS**  cis-122.41658.951.70000110.7
508L24.8Very low27.1Very low158 Ų158129.9 Ų129.983%0.82775%0.754SS**SBendcis-153.4147.826.9-171.772.8000111.8
509A25Very low27.4Very low77 Ų77126.4 Ų126.464%0.63675%0.751SS**  trans61106.5168.300000118.3
510N24.6Very low27.9Very low150 Ų150124.6 Ų124.680%0.80276%0.756SS**  76.4127.288.6-67.3-5.7000114.3
511T22.6Very low28.1Very low123 Ų123124 Ų12476%0.75576%0.757SS**  cis-165.9149.99.410.60000113.5
512V25.2Very low28.3Very low120 Ų120124.5 Ų124.573%0.72776%0.76SS**  trans84.4109.3141.9168.10000123.7
513F24.7Very low28.4Very low172 Ų172123.6 Ų123.675%0.75476%0.756SS**  trans74.6125.2135.8-80.1-127000126.2
514M24.9Very low28.4Very low155 Ų155122.3 Ų122.376%0.76476%0.756SS**  trans73.2169.8141.9-61.3-64.518000122.4
515S25.8Very low28.2Very low95 Ų95123.3 Ų123.366%0.66476%0.757SS**  179.6153.9-57.8-91.20000114.4
516S28.8Very low28.3Very low117 Ų117121.8 Ų121.882%0.81875%0.752SS**  trans66.7-179.5161.7-63.60000118.3
517P40.5Very low28.6Very low111 Ų111124 Ų12472%0.72176%0.758SS**  -136.7175.6-61.841.9-26.9000116.6
518S27.2Very low28.7Very low99 Ų99120.2 Ų120.269%0.69274%0.743SS**  trans37.5116.214666.60000124.5
519S31.9Very low29Very low105 Ų105123.3 Ų123.373%0.73475%0.745SS**  trans54.1121.9132.967.70000123.8
520S35.1Very low28.9Very low115 Ų115131.3 Ų131.380%0.80476%0.759SS**  trans73127.4148.477.20000120
521S28.2Very low29.1Very low105 Ų105127.8 Ų127.873%0.73475%0.746SS**  trans172159.9136.152.60000111.2
522S32.5Very low29.1Very low118 Ų118129.7 Ų129.783%0.82575%0.75SS**  trans-89.1127.1133.5-57.10000105.2
523P30.4Very low29Very low105 Ų105130.3 Ų130.368%0.68275%0.754SS**  -134.6128.975.435.5-22.3000114.2N525P523-N525 PolarHBondContact O-N 2.85Å
524T29.9Very low29.3Very low138 Ų138127.2 Ų127.285%0.84775%0.754SS**  trans-83.381.216350.60000110.2S526T524-S526 PolarHBondContact O-N 2.85Å
525N25.4Very low30.1Very low155 Ų155125.8 Ų125.883%0.82976%0.756SS**  trans-76.8105.2147.6-94.74.9000107.4P523P523-N525 PolarHBondContact O-N 2.85Å
526S31.6Very low30.4Very low94 Ų94125 Ų12566%0.65776%0.763SS**  17.6127.1128.3177.90000116.7T524T524-S526 PolarHBondContact O-N 2.85Å
527L33.9Very low30.3Very low168 Ų168123.1 Ų123.188%0.8876%0.763SS**  cis-171.6168.6-0.6-125.1158.9000108.6
528G29.8Very low29.7Very low44 Ų44124 Ų12445%0.45477%0.77SS.*  trans112.5114.3143.700000118.7
529Y30.1Very low30.2Very low223 Ų223124.6 Ų124.688%0.87577%0.774SS**SBend-119.8139.5113.6-84.2-98.2000105.7S531Y529-S531 WeakPolarHBondContact CD1-OG 3.42Å; Y529-S531 WeakPolarHBondContact CE1-OG 3.46Å
530R23Very low30Very low246 Ų246125.7 Ų125.793%0.92878%0.782SS**SBendcis-71.3155.814.3-63.8179.9173.9-129.5-2.4115.5
531S28.9Very low29.5Very low75 Ų75124.2 Ų124.252%0.52478%0.784SS.*  trans-95.8-171.9-179-40.60000112.6Y529Y529-S531 WeakPolarHBondContact CD1-OG 3.42Å; Y529-S531 WeakPolarHBondContact CE1-OG 3.46Å
532I23.2Very low29.3Very low163 Ų163122.9 Ų122.984%0.83679%0.788SS**  trans87.3113.8-166-57.1170000109.6
533T22.2Very low28.9Very low133 Ų133126.1 Ų126.182%0.81679%0.79SS**  cis-136.4162.610-25.50000112.3
534S32.7Very low28.8Very low107 Ų107125.6 Ų125.675%0.74879%0.788SS**  trans-117.4-172.3173.7-37.40000109.5
535P40.7Very low28.7Very low125 Ų125125.8 Ų125.881%0.81278%0.784SS**  cis-130-169.8-12.939.7-22.1000112.7
536G31.5Very low28.9Very low78 Ų78124.5 Ų124.580%0.80478%0.776SS**  trans-91.2162.8162.700000112.9
537G26.8Very low28.9Very low79 Ų79126.5 Ų126.581%0.81478%0.779SS**  trans173.6146.5176.600000111.3
538C27.6Very low28.8Very low130 Ų130123.8 Ų123.888%0.87877%0.765SS**  trans-91.1134.7-176.3-64.70000112.5
539S39.6Very low28.9Very low110 Ų110131.1 Ų131.177%0.76978%0.779SS**SBendtrans52.9115.7152.2-59.10000120.5
540S27.6Very low29Very low129 Ų129126.3 Ų126.390%0.90277%0.768SS**  trans76.9130.5154.975.10000120.1
541G23.5Very low29.4Very low83 Ų83121.1 Ų121.186%0.85676%0.759SS**  trans106.7120.6153.500000118.3
542G23.9Very low29.4Very low78 Ų78123.9 Ų123.980%0.80477%0.767SS**  trans97.481.5140.800000120.7
543Q24.6Very low29.7Very low186 Ų186123.3 Ų123.387%0.86977%0.765SS**  trans25.4143.5139.4-66.8-172.2-19.300124.2
544S28Very low29.9Very low93 Ų93121 Ų12165%0.6575%0.754SS**  trans80119.5142.180.60000117.9
545N29Very low29.6Very low143 Ų143123.3 Ų123.377%0.76576%0.758SS**  98.5149.585.4-80.8-11.2000111.3
546I28.9Very low28.9Very low128 Ų128125.1 Ų125.166%0.65676%0.757SS**  cis-151.3130.21.8-120.2157000106
547N32.2Very low28.6Very low135 Ų135132 Ų13272%0.72276%0.759SS**  90.8164.569.8-160.14.2000113.6
548I31.5Very low29Very low112 Ų112134.5 Ų134.557%0.57476%0.759SS**  trans78.9131.5162.2-71.1154.2000116.6
549R30.8Very low29Very low198 Ų198134.1 Ų134.175%0.74775%0.753SS**  cis-157.9139.2-1.7-113.7-178.9-178.1130.50.6110.3
550N33.2Very low28.4Very low121 Ų121136.9 Ų136.965%0.64775%0.753SS**  71.5152.292.5-74.756.9000115.7
551N30.8Very low28.4Very low138 Ų138139.6 Ų139.674%0.73875%0.749SS**  cis-153.5-176.919.1-99.4-21.5000109.1
552L28.8Very low28.6Very low132 Ų132140.2 Ų140.269%0.69174%0.74SS**  -177.7172.7-50.8-127.8151.1000108.9
553L29.3Very low28.8Very low151 Ų151145.6 Ų145.679%0.79174%0.744SS**  trans73.8157.7173.9-82.168000118.5
554S27.8Very low28.8Very low86 Ų86145.2 Ų145.260%0.60174%0.742SS**  cis-174.2135.5-39.453.80000114.4
555N26.3Very low28.7Very low154 Ų154149.8 Ų149.882%0.82475%0.751SS**  trans66.2135.7148.5-69.2-9.2000124.5
556M25.7Very low28.6Very low163 Ų163150.5 Ų150.580%0.80376%0.755SS**  trans82.3104.1145.2-71.5-82.6-98.500122.9
557R24.8Very low28.7Very low222 Ų222153 Ų15384%0.83876%0.764SS**  trans65147.3152.1-81.3-175.8171.4173.7-2119.9
558T35.5Very low28.4Very low132 Ų132154 Ų15481%0.8177%0.768SS**  trans65.1141.8177.668.20000115.7
559T27.6Very low28.2Very low123 Ų123156.8 Ų156.876%0.75578%0.778SS**  cis-153.1161.5-20.910.20000108.9
560H26.3Very low28Very low168 Ų168152.5 Ų152.578%0.77877%0.774SS**  trans74.8122.4176.6-80.8-118.9000119.1
561K27.5Very low27.6Very low185 Ų185153.5 Ų153.580%0.80478%0.78SS**  trans13.5143.2141.7-60177-178.3177.30120.2
562S27.1Very low27.4Very low97 Ų97154.2 Ų154.268%0.67878%0.783SS**  cis-178158.5-1048.50000111.7
563Q28.8Very low27.5Very low191 Ų191155.6 Ų155.689%0.89379%0.79SS**  trans85.2100.4169-57.9-170.8-78.200117.6
564E24.5Very low27.9Very low177 Ų177155.7 Ų155.783%0.82779%0.79SS**  trans-112.8168.3167.3-65.1-173.3122.600108.1
565F26Very low28.1Very low189 Ų189160.4 Ų160.483%0.82981%0.805SS**  cis-155.5179.5-11.8-133.4-122.3000108
566N26.4Very low28.1Very low158 Ų158160.9 Ų160.985%0.84581%0.807SS**  trans-92.4154.6175-84.3-56.9000114.1
567H32Very low28.3Very low182 Ų182156.7 Ų156.784%0.84381%0.806SS**  trans-68.5141.3176.6-83.6-81.4000114.2
568L26.7Very low28.6Very low154 Ų154155.8 Ų155.881%0.80681%0.811SS**  -167.7163.9122.2-113173.3000113.8
569H26.1Very low28.2Very low171 Ų171154.2 Ų154.279%0.79281%0.806SS**  trans76.1153.4168.1-92.387.9000120.9
570T27.3Very low28Very low109 Ų109155.1 Ų155.167%0.66981%0.805SS**  trans-91.2134.3-168.945.90000113
571N25Very low28.1Very low142 Ų142153.8 Ų153.876%0.75980%0.804SS**  179131.6110.4-89.2-31.6000111.8
572N25.4Very low27.9Very low152 Ų152152.3 Ų152.381%0.81380%0.804SS**SBendtrans63.6142.6169-61.6-32.9000118.5
573I32.4Very low27.8Very low162 Ų162155 Ų15583%0.83181%0.808SS**SBendtrans75.2113.5165.8-60.5170.7000117.4
574L36.5Very low27.7Very low153 Ų153152.7 Ų152.780%0.80180%0.801SS**SBendtrans66.396.7155.4-112.164.4000122.2
575M31.5Very low27.8Very low185 Ų185148.4 Ų148.491%0.91179%0.791SS**  trans66.2132.6147.6-61.4-55.6-158.200119.9
576N26.2Very low27.9Very low163 Ų163144.9 Ų144.987%0.87279%0.789SS**  trans-155.8156.1-165.2-151.1-1000109.9
577G31.1Very low28Very low75 Ų75144.4 Ų144.477%0.77379%0.786SS**  trans177.6120176.500000116.3
578Q30Very low28Very low203 Ų203141 Ų14195%0.94978%0.783SS**  trans-96.2-176.9178.2-68.1172.6-92.200112.8
579S27Very low28.1Very low100 Ų100137 Ų13770%0.69978%0.78SS**  trans-116.8159.5178.5600000113.4
580L25.4Very low28.2Very low142 Ų142134.2 Ų134.274%0.74378%0.779SS**  trans73.6102.2154.8-67.4163.2000121.7
581N26.5Very low28.3Very low140 Ų140137 Ų13775%0.74978%0.784SS**  82.3136.9120.4-77.9-1.2000124.9
582L24.6Very low28.3Very low154 Ų154137.3 Ų137.381%0.80678%0.781SS**  trans83.6144.4155-101.474.8000120.8
583M24.4Very low28.6Very low153 Ų153135.3 Ų135.375%0.75477%0.774SS**  trans-21.9145.2167.4-8369.8169.800116.4
584D26.1Very low28.4Very low142 Ų142133.2 Ų133.276%0.75977%0.769SS**  cis-139.4144.230.4-95.6-43.2000111.4
585S27.3Very low28.1Very low87 Ų87132.7 Ų132.761%0.60877%0.767SS**  97.1154.255.4-62.60000113.1
586C28.3Very low28Very low116 Ų116131.5 Ų131.578%0.78476%0.764SS**  trans74.2114.5-168.1-48.80000114.6
587N29.2Very low28.8Very low147 Ų147128.7 Ų128.779%0.78675%0.754SS**SBendcis-152148.9-3.8-88.1-34.6000108.9
588S30.2Very low28.7Very low110 Ų110133.6 Ų133.677%0.76976%0.762SS**  cis-176.1125.9-15.948.10000110.2
589G30Very low28.5Very low72 Ų72130.5 Ų130.574%0.74275%0.752SS**  trans136.6105.216300000118.5
590S28.5Very low28.6Very low111 Ų111131.9 Ų131.978%0.77675%0.749SS**  trans13.2153.9143.755.80000123.5
591Q28.4Very low29.1Very low168 Ų168131.2 Ų131.279%0.78574%0.742SS**  cis178.6169.5-12.1-99.8-171.2-7500106.7
592E26.2Very low29.6Very low149 Ų149131 Ų13170%0.69674%0.741SS**  cis-175169.5-31.1-160-172-43.800110.2
593V30Very low30Very low110 Ų110129 Ų12967%0.66773%0.73SS**  trans81136159.4-168.20000122
594T29.1Very low30.4Very low117 Ų117127 Ų12772%0.71873%0.726SS**  trans79.9116.1158.633.10000125.8
595N30.4Very low30.6Very low142 Ų142127.8 Ų127.876%0.75973%0.725SS**  51.3125.7128.6-72.5-8.5000125.6
596L30.1Very low30.8Very low161 Ų161129.1 Ų129.184%0.84373%0.726SS**  trans73160.7142.5-86164.5000117.5
597P41.3Very low31Very low103 Ų103130.8 Ų130.867%0.66972%0.72SS**  -119.1169.4-107.143.2-35.6000117.2
598L29.6Very low31.1Very low179 Ų179129.2 Ų129.294%0.93771%0.707SS**  trans5.6133.5154.4-59.8172.7000119.2
599N26.5Very low31.1Very low138 Ų138130.8 Ų130.874%0.73870%0.7SS**  trans-146.3165.2179.6-170.412.9000111.4
600M27.9Very low31.1Very low129 Ų129135.2 Ų135.264%0.63570%0.7SS**  trans68.9160.8162.9-81.7149.355.100116.9
601Q36.8Very low31.2Very low127 Ų127136.3 Ų136.359%0.59370%0.696SS**  cis-144.9166.515.5-125.3134.7-30.800109.1I603Q601-I603 HydrophobicContact CG-CD1 3.68Å; Q601-I603 HydrophobicContact CG-CG1 3.98Å
602N36.5Very low31.1Very low137 Ų137134.2 Ų134.273%0.73369%0.69SS**  cis-146.1145.835.6-86-57.3000110.5
603I33.8Very low31Very low112 Ų112134.2 Ų134.257%0.57469%0.694SS**  76.4126.556.8-71.9-171.2000111.7Q601Q601-I603 HydrophobicContact CG-CD1 3.68Å; Q601-I603 HydrophobicContact CG-CG1 3.98Å
604T31.6Very low30.8Very low111 Ų111133.8 Ų133.868%0.68170%0.696SS**  cis-155.9172.2-2.517.20000108.8
605Q31.7Very low30.9Very low157 Ų157136 Ų13673%0.73470%0.703SS**  cis-139.7-175.46.1-125.8167.6-80.600106.8
606D30.6Very low30.8Very low116 Ų116137.5 Ų137.562%0.6271%0.706SS**  cis-148.1-175.110.1-136.1-5.5000106.8
607K32.7Very low30.7Very low151 Ų151136.4 Ų136.466%0.65770%0.701SS**  cis-146.7-168.610.6-137.5-137.5177.5-170.80113
608E30.9Very low30.1Very low113 Ų113137.5 Ų137.553%0.52870%0.701SS.*  trans-44.5148.9168.8-62-177.4113.100115.1
609K31.3Very low30Very low143 Ų143136.4 Ų136.462%0.62269%0.691SS**  cis-166.5153.9-5.7-116.5165.4-179.1164.20112.8
610F29.5Very low30.2Very low166 Ų166135.6 Ų135.673%0.72869%0.687SS**  trans65.5108.7147.4-68.1-48.9000124.7
611L29.5Very low30.2Very low133 Ų133136 Ų13670%0.69669%0.691SS**  73.3113118.9-73.2169.5000124.6
612N26.4Very low29.9Very low125 Ų125137.6 Ų137.667%0.66870%0.696SS**  65.4125117.8-76.215.4000125.3
613L25Very low29.5Very low148 Ų148134 Ų13478%0.77568%0.676SS**  63.4114.3128.5-63.7169000120.5
614S25.1Very low29.4Very low101 Ų101134.6 Ų134.671%0.70668%0.68SS**  156.8141104.3-65.20000115.2
615N31Very low29.8Very low163 Ų163133.4 Ų133.487%0.87267%0.673SS**  trans66.1151.8148.4-67.4-2000123.1
616E28.3Very low29.8Very low174 Ų174132.2 Ų132.281%0.81367%0.667SS**  trans-87151.1177-52.6165.3127.200111.2
617N28.7Very low30Very low138 Ų138132.6 Ų132.674%0.73867%0.669SS**  170.1147.2117.9-91.5-67.2000113.4
618N27.9Very low30.1Very low126 Ų126133.1 Ų133.167%0.67468%0.679SS**  trans51.1114.6148.3-60.6-3.2000122.9
619E27.5Very low30.5Very low157 Ų157134.4 Ų134.473%0.73468%0.682SS**  86.2137.8124.7-73.9-171.3-139.600123.6
620N31.2Very low30.2Very low121 Ų121132.6 Ų132.665%0.64768%0.684SS**  trans75.967149.2-56.2-28000122.2
621I28.2Very low30.3Very low138 Ų138128.9 Ų128.971%0.70868%0.676SS**  69.3131.5109.2-70.5169.4000121.6
622F30.9Very low30.2Very low160 Ų160126.9 Ų126.970%0.70267%0.666SS**  trans64.8149.6172.4-66.8-67.9000118.5S634F622-S634 WeakPolarHBondContact CD1-OG 3.32Å
623N28.1Very low30.2Very low60 Ų60124.4 Ų124.432%0.32166%0.658SS.*  cis178.5121.4-42.4-119.9-72.5000109.7N632 S633 S634N623-N632 WeakPolarHBondContact OD1-CA 3.47Å; N623-N632 WeakPolarHBondContact OD1-CB 3.23Å; N623-N632 VanDerWaalsContact OD1-CG 3.23Å; N623-N632 PolarHBondContact OD1-OD1 3.47Å; N623-S633 CarbonylContact O-C 3.53Å; N623-S633 PolarHBondContact OD1-N 2.85Å; N623-S634 WeakPolarHBondContact CB-OG 3.37Å
624L32.6Very low30.3Very low126 Ų126119.4 Ų119.466%0.6664%0.636SS**  trans-157.6155156.6-165.158.1000114N632 S633L624-N632 WeakPolarHBondContact O-CB 3.41Å; L624-N632 PolarHBondContact O-ND2 2.8Å; L624-S633 WeakPolarHBondContact CA-O 3.2Å; L624-S633 WeakPolarHBondContact CD1-O 3.5Å
625T39.9Very low30.5Very low86 Ų86120.2 Ų120.253%0.52864%0.637SS.*  trans93.8103.3169.5790000119P631 N632T625-P631 CarbonylContact O-C 3.4Å; T625-P631 WeakPolarHBondContact O-CA 3.28Å; T625-N632 PolarHBondContact O-N 3.2Å
626Q30.8Very low30.3Very low131 Ų131119.3 Ų119.361%0.61263%0.631SS**  trans-90.1114130.3-74-171.70.300108.2K629 P631Q626-K629 VanDerWaalsContact CB-O 3.31Å; Q626-K629 WeakPolarHBondContact CB-O 3.41Å; Q626-K629 WeakPolarHBondContact CG-O 3.44Å; Q626-P631 HydrophobicContact CG-CB 4.23Å
627L34.4Very low30.2Very low125 Ų125118.2 Ų118.265%0.65463%0.629SS**SBendtrans-158.87.9154-114.6148.8000117.3K629L627-K629 HydrophobicContact CD2-CD 4.18Å; L627-K629 HydrophobicContact CG-CD 4.47Å
628N35Very low30Very low162 Ų162115.7 Ų115.787%0.86662%0.623SS**SBendtrans-125.860.4149.2-131.7-3.4000114.3
629K40.2Very low29.9Very low139 Ų139116.7 Ų116.760%0.60463%0.633SS**SBendcis-10535.3-45.9-58.1-138.5179.6-172.30110.4Q626 L627Q626-K629 VanDerWaalsContact CB-O 3.31Å; Q626-K629 WeakPolarHBondContact CB-O 3.41Å; Q626-K629 WeakPolarHBondContact CG-O 3.44Å; L627-K629 HydrophobicContact CD2-CD 4.18Å; L627-K629 HydrophobicContact CG-CD 4.47Å
630T23.6Very low29.9Very low106 Ų106112.1 Ų112.165%0.6563%0.628SS**  trans-113.7166.7175.263.80000109.4
631P31.6Very low30Very low88 Ų88113.9 Ų113.957%0.57164%0.636SS**  -137.3144.6-76.635.3-18.1000114.3T625 Q626T625-P631 CarbonylContact O-C 3.4Å; T625-P631 WeakPolarHBondContact O-CA 3.28Å; Q626-P631 HydrophobicContact CG-CB 4.23Å
632N27.7Very low30.2Very low91 Ų91113.3 Ų113.349%0.48764%0.635SS.*  trans-167.6157.8172-90.9-25.8000110N623 L624 T625N623-N632 WeakPolarHBondContact OD1-CA 3.47Å; N623-N632 WeakPolarHBondContact OD1-CB 3.23Å; N623-N632 VanDerWaalsContact OD1-CG 3.23Å; N623-N632 PolarHBondContact OD1-OD1 3.47Å; L624-N632 WeakPolarHBondContact O-CB 3.41Å; L624-N632 PolarHBondContact O-ND2 2.8Å; T625-N632 PolarHBondContact O-N 3.2Å
633S27Very low30.2Very low72 Ų72111.5 Ų111.550%0.50363%0.632SS.*  trans-85.2-142.6-175.5-52.10000112.8N623 L624N623-S633 CarbonylContact O-C 3.53Å; N623-S633 PolarHBondContact OD1-N 2.85Å; L624-S633 WeakPolarHBondContact CA-O 3.2Å; L624-S633 WeakPolarHBondContact CD1-O 3.5Å
634S27.7Very low30.7Very low43 Ų43115.5 Ų115.530%0.30165%0.653SS.*  cis-161.5140.7-10.833.90000111.6F622 N623F622-S634 WeakPolarHBondContact CD1-OG 3.32Å; N623-S634 WeakPolarHBondContact CB-OG 3.37Å
635T28.5Very low30.5Very low119 Ų119113.8 Ų113.873%0.7365%0.652SS**  trans52.9137.1149.148.40000124.1
636I27.2Very low29.9Very low144 Ų144116.7 Ų116.774%0.73866%0.663SS**  trans74.2111.5145.1-71.2164.7000115.6
637L25.1Very low29.9Very low151 Ų151117.7 Ų117.779%0.79167%0.673SS**  63.7128.475.2-78.7167.6000112.4
638S25.1Very low29.9Very low85 Ų85117.1 Ų117.159%0.59468%0.679SS**  cis-154.7165.718.4-65.20000112.6
639T25.6Very low29.5Very low146 Ų146117.2 Ų117.290%0.89668%0.678SS**  trans58.8137.6149.347.20000120.2
640G28.4Very low29.5Very low61 Ų61115.8 Ų115.863%0.62968%0.683SS**  cis161.3-1502.700000110.7
641I33.3Very low29.7Very low158 Ų158118.2 Ų118.281%0.8169%0.689SS**  trans71.8122.2166.4-60.7172.7000112.4
642N31.3Very low29.6Very low127 Ų127119.9 Ų119.968%0.67969%0.693SS**  cis-164.4174.112.7-1103.6000109.4
643N31Very low29.6Very low121 Ų121121.9 Ų121.965%0.64770%0.704SS**  cis-172-172.9-35.4-119.37.2000110.2
644N38.7Very low29.7Very low144 Ų144124.1 Ų124.177%0.7772%0.718SS**  trans94.8102.2169.8-51.2-10.8000114
645S28.2Very low30.3Very low91 Ų91127.7 Ų127.764%0.63674%0.74SS**  cis73.3145.615.7110.50000114.8
646I27.6Very low30.3Very low146 Ų146126.6 Ų126.675%0.74974%0.737SS**  cis-160.9157.4-5.9-120.9163.4000109.5
647N30.5Very low30.4Very low153 Ų153126.2 Ų126.282%0.81874%0.736SS**  trans167.9142.3149.2-88.2-25.2000110.1
648S34.4Very low30.5Very low112 Ų112126.3 Ų126.378%0.78374%0.735SS**  cis-158.2156.9-10.251.30000112.3
649L27.3Very low30.6Very low164 Ų164130.7 Ų130.786%0.85975%0.748SS**  trans-54173.5-178.1-80151000117.2
650P39Very low30.7Very low109 Ų109132.6 Ų132.671%0.70875%0.749SS**  cis-150.3168.928.746.4-26.9000121.7
651M29.4Very low30.7Very low157 Ų157135.2 Ų135.277%0.77376%0.758SS**  trans67.1150157.1-52.1-134.811700118.7
652L28.7Very low30.2Very low123 Ų123131.8 Ų131.864%0.64475%0.753SS**  cis-159.5146.4-12.5-114.3171.3000109.6
653N28.6Very low29.8Very low134 Ų134134.2 Ų134.272%0.71777%0.765SS**  trans40113.5162.3-60.9-4.2000120.1
654C29Very low29.6Very low119 Ų119131.6 Ų131.680%0.80477%0.766SS**  77132.968.8-73.70000115.6
655P38.7Very low28.9Very low118 Ų118130 Ų13077%0.76677%0.766SS**  cis-114.5-145.8-13.340.7-23.4000110.1
656S29.8Very low28.7Very low95 Ų95135.2 Ų135.266%0.66478%0.778SS**  cis-159.4-155.10.7-121.70000109.1
657D28.3Very low28.7Very low136 Ų136135.3 Ų135.373%0.72779%0.785SS**  -158.7155.1-96.5-74.1-52.2000109.9
658M27.6Very low28.4Very low154 Ų154135.4 Ų135.476%0.75978%0.78SS**  cis-158.8111.5-27-177.8-175.2178.700110.7
659M27.6Very low27.9Very low177 Ų177137.6 Ų137.687%0.87278%0.782SS**  trans64.3153160.4-70.9-173.315700121.8
660M28.1Very low27.9Very low185 Ų185137.4 Ų137.491%0.91178%0.779SS**  trans-86.3155.2173.8-67.8-170.2-177.400113
661S27.2Very low27.9Very low117 Ų117136.8 Ų136.882%0.81878%0.775SS**  154.4107.796.2-177.30000114.7
662A23.7Very low27.8Very low85 Ų85134.1 Ų134.170%0.70277%0.771SS**  trans170150.6143.700000112.4
663L22Very low27.8Very low179 Ų179133.6 Ų133.694%0.93777%0.773SS**  trans64.7158.5174.3-69.9122.7000117.2
664G27.7Very low27.7Very low65 Ų65133.4 Ų133.467%0.6777%0.772SS**  trans97.290.8-173.900000111.5
665S23.8Very low27.6Very low110 Ų110133.8 Ų133.877%0.76977%0.766SS**  77.2111.757.1-58.20000114.6
666F23.4Very low27Very low201 Ų201135 Ų13588%0.88277%0.766SS**  trans46.1101.5148.2-79.4-99.4000118.9
667V27.5Very low26.7Very low149 Ų149136.6 Ų136.690%0.90377%0.766SS**  trans-117.3150151.8177.20000108.4
668H24.9Very low26.9Very low155 Ų155135.9 Ų135.972%0.71877%0.767SS**  trans-116.4145.1-166.1-153.7-97.2000111.5
669L23.7Very low27Very low157 Ų157135.4 Ų135.482%0.82276%0.763SS**  trans70133.7161.1-126.167.7000121
670M26.7Very low27Very low161 Ų161132.1 Ų132.179%0.79375%0.753SS**  trans-87.7-174.9161.1-85.6-16580.300109.2
671P39.2Very low27.1Very low96 Ų96129 Ų12962%0.62374%0.744SS**  cis-150.417923.744.7-23.3000120.8
672S28.4Very low27.2Very low100 Ų100128.6 Ų128.670%0.69974%0.737SS**  trans65.2160.4155.666.80000117.4
673V26.8Very low27.5Very low113 Ų113130.3 Ų130.369%0.68573%0.734SS**  cis-140.6149.422.4175.30000112.5
674N28Very low27.9Very low129 Ų129127.4 Ų127.469%0.6972%0.72SS**  trans63.6117.5158.9-75-3.4000123.6
675N26.9Very low28Very low128 Ų128134.4 Ų134.468%0.68473%0.732SS**  83.2100.9118.9-69.1-6.2000123.4
676L25.1Very low28.2Very low144 Ų144133.8 Ų133.875%0.75472%0.724SS**  81.2139.295.2-167.367.9000119.6
677L24.6Very low28.4Very low128 Ų128131 Ų13167%0.6772%0.718SS**  trans66.1126.8162-87.5161.3000118.2
678T31.6Very low28.5Very low120 Ų120129.1 Ų129.174%0.73671%0.711SS**  -169.1147.711834.80000108
679E30.7Very low28.7Very low144 Ų144126.5 Ų126.567%0.67371%0.711SS**  cis-162.6136.9-23.9-119.8169-175.800106
680T27.7Very low28.8Very low108 Ų108126.9 Ų126.966%0.66371%0.71SS**  55.7-164.5107.381.40000113.7
681T29.2Very low29Very low119 Ų119127.6 Ų127.673%0.7372%0.717SS**  cis-92.5-138.15.255.90000112.3
682T29.2Very low28.4Very low109 Ų109130.2 Ų130.267%0.66973%0.726SS**  trans-158.6-160.6-156.548.70000110.8
683N30.8Very low28.3Very low122 Ų122128.4 Ų128.465%0.65272%0.723SS**  trans112.2144.2151.6-52.9-29000116.8
684N30.3Very low28.4Very low117 Ų117129 Ų12963%0.62673%0.727SS**  cis-172.1153-29-103.1-16.1000107.4
685F28.6Very low28.5Very low213 Ų213128.5 Ų128.593%0.93473%0.729SS**  trans-159.1155.1136.5-106.7-66.7000110.6
686T29.4Very low28.6Very low96 Ų96129.6 Ų129.659%0.58973%0.732SS**  trans-135.4157-155.251.90000113.8
687N27.9Very low28.8Very low143 Ų143128.3 Ų128.377%0.76573%0.726SS**  trans81.4109.8151.5-65.7-6.9000120.5
688S28.9Very low29Very low109 Ų109132.4 Ų132.476%0.76273%0.732SS**  88.8120.2111.975.60000121.9
689S28.2Very low29Very low101 Ų101132.3 Ų132.371%0.70673%0.726SS**  107.9124.2123.6-146.10000119.7
690M26Very low28.8Very low165 Ų165131.3 Ų131.381%0.81373%0.725SS**  trans50.7119.6145.9-67.5172.669.400121
691N30.8Very low28.7Very low175 Ų175134.4 Ų134.494%0.93673%0.732SS**  -143.6149.8128.7-111.1-35.5000109.2
692N27.2Very low28.9Very low152 Ų152135.1 Ų135.181%0.81373%0.73SS**  trans-153.3136.9-166.8-162.112.6000112.9
693G27.3Very low28.8Very low62 Ų62136.3 Ų136.364%0.63973%0.732SS**  trans76.5170.5170.800000117.1
694T28.4Very low28.8Very low125 Ų125137.9 Ų137.977%0.76774%0.736SS**  cis-160.5168.71.9-32.30000112
695T29.6Very low28.6Very low119 Ų119136.6 Ų136.673%0.7374%0.736SS**  trans80.8142.6162.178.20000117.9
696M28.1Very low28.7Very low150 Ų150133 Ų13374%0.73973%0.727SS**  cis-157.5163.5-17-130.964.3-177.600106.2
697N31.3Very low28.6Very low118 Ų118135.6 Ų135.663%0.63173%0.732SS**  cis-168.9139.734.3-121.7-34000110.1
698R28.1Very low28.6Very low214 Ų214136.9 Ų136.981%0.80873%0.731SS**  trans54.4154.4130.4-73.3-176149.7170.4-4.5121.2
699I30.3Very low28.6Very low117 Ų117137 Ų13760%0.673%0.727SS**  cis-158.3119.57.4-116.1161.5000105.1
700D28Very low28.6Very low123 Ų123139.3 Ų139.366%0.65873%0.731SS**  108.8133.896.4-72.63.2000112.9
701E25.7Very low28.6Very low174 Ų174140.8 Ų140.881%0.81374%0.736SS**  trans47.9150.5136.3-49.1-174.1156.200121.2
702I31.9Very low28.4Very low134 Ų134140.6 Ų140.669%0.68773%0.734SS**  cis-161.1139.147.1-79.7178000110.3
703N29Very low28.5Very low133 Ų133137.2 Ų137.271%0.71172%0.723SS**  trans44.5152.3152.7-63.6-23.2000122.1
704Q29.4Very low28.4Very low156 Ų156145 Ų14573%0.72974%0.739SS**  cis-159.6167.1-3.5-119.916326.100111.8
705S26.7Very low28.2Very low89 Ų89143 Ų14362%0.62273%0.73SS**  trans-14.1151.2153.350.70000119.2
706N29.9Very low28.1Very low139 Ų139146.5 Ų146.574%0.74374%0.74SS**  cis-166.514525.5-126.9-0.4000115.5
707H27.2Very low27.9Very low149 Ų149147.5 Ų147.569%0.6975%0.748SS**  trans64.2150.6138.9-102.1-99.5000125.5
708F28Very low27.7Very low171 Ų171151.2 Ų151.275%0.7576%0.761SS**  trans77.4108165.5-77.1-76.6000121.9
709T29.8Very low27.5Very low110 Ų110146 Ų14668%0.67576%0.758SS**  trans45.4127.7140.153.70000120.3
710N28.4Very low27.5Very low150 Ų150148.9 Ų148.980%0.80277%0.773SS**  cis-146.5131.26.5-91.7-30.3000110.8
711Q24.5Very low27.5Very low196 Ų196148.4 Ų148.492%0.91678%0.779SS**  trans-143.5110.9162.5-76.1-162.9-0.500112
712L27.9Very low27.9Very low171 Ų171146 Ų14690%0.89578%0.779SS**  trans-154.6137167.5-131.481.4000105.3
713S29.6Very low27.6Very low82 Ų82148.7 Ų148.757%0.57379%0.788SS**  cis-163.1147.1-14.932.20000108.7S715S713-S715 PolarHBondContact O-N 3.35Å; S713-S715 PolarHBondContact OG-OG 2.84Å
714K24.5Very low27.8Very low226 Ų226149.9 Ų149.998%0.98379%0.789SS**SBendtrans-73.871.8169.4-86.7-172172179.50111.3
715S24Very low28Very low83 Ų83150.6 Ų150.658%0.5879%0.792SS**  trans-164.771.3178.157.60000114.1S713S713-S715 PolarHBondContact O-N 3.35Å; S713-S715 PolarHBondContact OG-OG 2.84Å
716M27.5Very low28.4Very low191 Ų191153.9 Ų153.994%0.94180%0.797SS**  trans-164.373150.7-111.6174.6-165.900112
717L25.1Very low28.6Very low172 Ų172152.9 Ų152.990%0.90179%0.788SS**  trans-76.9164.1144.6-86.5162.8000108.4
718Q26Very low29.1Very low195 Ų195152 Ų15291%0.91178%0.784SS**  trans82.155.7160-155.7168.752.400118.6
719S23.9Very low29.6Very low106 Ų106149.8 Ų149.874%0.74178%0.776SS**  trans-154.1109.8146.561.70000113.9
720I29.8Very low30.2Very low177 Ų177150.7 Ų150.791%0.90877%0.773SS**  trans-178.1146.4141.5-95.6156.4000108
721S29.4Very low30.7Very low113 Ų113150.1 Ų150.179%0.7977%0.765SS**  trans-94159.2-165.3-64.70000114.4
722P32.6Very low31.5Very low124 Ų124145.7 Ų145.781%0.80575%0.747SS**  trans-92121.2-173.534.1-33.4000114.3
723Q26.6Very low32.1Very low190 Ų190143.8 Ų143.889%0.88874%0.737SS**  trans-141.878.2161.8-74.3-164-4.400111.8
724H32.3Very low32.4Very low158 Ų158146.5 Ų146.573%0.73174%0.743SS**  trans-152.419.4172.9-129.7-77.1000116.5
725H33.5Very low33Very low171 Ų171138.3 Ų138.379%0.79272%0.717SS**SBendtrans-110.5-5.6-171.7-104.130.2000117
726H35.2Very low33.7Very low157 Ų157138.3 Ų138.373%0.72771%0.711SS**SBendtrans-91.9-29.5-179.2-102.1-22.5000115.8
727Q34.8Very low34.4Very low118 Ų118131.5 Ų131.555%0.55169%0.685SS**Hα-helixtrans-68.4-40.7178.2-77.8179-37.600112.6Q729 Q730 Q731Q727-Q729 PolarHBondContact O-N 2.85Å; Q727-Q730 PolarHBondContact O-N 3.01Å; Q727-Q731 PolarHBondContact O-N 3.22Å
728H38.5Very low34.9Very low130 Ų130129.4 Ų129.460%0.60267%0.665SS**Hα-helixtrans-64.6-24.8-177.8-154.8-43.6000113L732H728-L732 PolarHBondContact O-N 3.02Å
729Q38.1Very low35.3Very low126 Ų126124.9 Ų124.959%0.58965%0.646SS**Hα-helixtrans-83.8-31.6-179-151.4172.922.900112.7Q727 L733Q727-Q729 PolarHBondContact O-N 2.85Å; Q729-L733 PolarHBondContact O-N 3.33Å; Q729-L733 VanDerWaalsContact O-N 3.07Å
730Q41.8Very low36Very low129 Ų129123.5 Ų123.560%0.60363%0.634SS**Hα-helixtrans-69.5-41.2174.3-76.1-171.9-12.900112.4Q727 L732 L733 M734Q727-Q730 PolarHBondContact O-N 3.01Å; Q730-L732 VanDerWaalsContact C-N 3.34Å; Q730-L732 PolarHBondContact O-N 3.41Å; Q730-L733 PolarHBondContact O-N 3.5Å; Q730-M734 PolarHBondContact O-N 2.89Å
731Q39.6Very low36.4Very low137 Ų137120.8 Ų120.864%0.6462%0.621SS**Hα-helixtrans-61.2-43.2176-68.6-179.3-5.600111.4Q727 L733 M734 A735Q727-Q731 PolarHBondContact O-N 3.22Å; Q731-L733 VanDerWaalsContact C-N 3.32Å; Q731-L733 PolarHBondContact O-N 3.02Å; Q731-M734 PolarHBondContact O-N 3.29Å; Q731-A735 WeakPolarHBondContact O-CB 3.21Å; Q731-A735 PolarHBondContact O-N 3.3Å
732L40.1Very low36.6Very low104 Ų104121.3 Ų121.355%0.54561%0.614SS.*Hα-helixtrans-65.3-34.1176-169.664000112.4H728 Q730 N736H728-L732 PolarHBondContact O-N 3.02Å; Q730-L732 VanDerWaalsContact C-N 3.34Å; Q730-L732 PolarHBondContact O-N 3.41Å; L732-N736 WeakPolarHBondContact O-CB 3.47Å; L732-N736 PolarHBondContact O-N 2.87Å; L732-N736 VanDerWaalsContact O-N 3.12Å; L732-N736 PolarHBondContact O-ND2 2.78Å
733L41.9Very low36.6Very low130 Ų130120.7 Ų120.768%0.68161%0.609SS**Hα-helixtrans-69.5-40.5175.7-151.377.2000112Q729 Q730 Q731 N736 A737Q729-L733 PolarHBondContact O-N 3.33Å; Q729-L733 VanDerWaalsContact O-N 3.07Å; Q730-L733 PolarHBondContact O-N 3.5Å; Q731-L733 VanDerWaalsContact C-N 3.32Å; Q731-L733 PolarHBondContact O-N 3.02Å; L733-N736 PolarHBondContact O-N 3.19Å; L733-A737 WeakPolarHBondContact O-CB 3.5Å; L733-A737 PolarHBondContact O-N 3.34Å
734M34.3Very low36.7Very low140 Ų140117 Ų11769%0.6960%0.595SS**Hα-helixtrans-66.6-42.6175.4-72.9-174.6172.400112.3Q730 Q731 N736 A737 W738Q730-M734 PolarHBondContact O-N 2.89Å; Q731-M734 PolarHBondContact O-N 3.29Å; M734-N736 PolarHBondContact O-N 3.18Å; M734-A737 PolarHBondContact O-N 3.37Å; M734-W738 PolarHBondContact O-N 3.25Å
735A37Very low36.5Very low54 Ų54113.1 Ų113.145%0.44660%0.597SS.*Hα-helixtrans-59.4-44.9175.500000111.8Q731 W738 L739Q731-A735 WeakPolarHBondContact O-CB 3.21Å; Q731-A735 PolarHBondContact O-N 3.3Å; A735-W738 PolarHBondContact O-N 3.22Å; A735-L739 PolarHBondContact O-N 2.84Å
736N39.9Very low36.1Very low83 Ų83113.8 Ų113.844%0.44460%0.598SS.*Hα-helixtrans-66.5-41.1176.3-75.8-48.2000112.6L732 L733 M734 W738 L739 T740L732-N736 WeakPolarHBondContact O-CB 3.47Å; L732-N736 PolarHBondContact O-N 2.87Å; L732-N736 VanDerWaalsContact O-N 3.12Å; L732-N736 PolarHBondContact O-ND2 2.78Å; L733-N736 PolarHBondContact O-N 3.19Å; M734-N736 PolarHBondContact O-N 3.18Å; N736-W738 VanDerWaalsContact C-N 3.31Å; N736-W738 PolarHBondContact O-N 3.13Å; N736-L739 PolarHBondContact O-N 3.03Å; N736-T740 WeakPolarHBondContact O-CG2 3.47Å; N736-T740 PolarHBondContact O-N 2.74Å; N736-T740 PolarHBondContact O-OG1 3.03Å
737A41.2Very low35.9Very low48 Ų48116.7 Ų116.740%0.39761%0.609SS.*Hα-helixtrans-60.8-39.7175.500000112.1L733 M734 T740 N741L733-A737 WeakPolarHBondContact O-CB 3.5Å; L733-A737 PolarHBondContact O-N 3.34Å; M734-A737 PolarHBondContact O-N 3.37Å; A737-T740 WeakPolarHBondContact CA-OG1 3.31Å; A737-T740 PolarHBondContact O-N 3.17Å; A737-T740 PolarHBondContact O-OG1 3.21Å; A737-N741 PolarHBondContact O-N 3.24Å; A737-N741 PolarHBondContact O-ND2 3.39Å
738W35.8Very low35.4Very low127 Ų127116 Ų11648%0.48162%0.617SS.*Hα-helixtrans-64.3-46.3173.8-170.673.5000111.6M734 A735 N736 T740 N741 L742 L763M734-W738 PolarHBondContact O-N 3.25Å; A735-W738 PolarHBondContact O-N 3.22Å; N736-W738 VanDerWaalsContact C-N 3.31Å; N736-W738 PolarHBondContact O-N 3.13Å; W738-T740 VanDerWaalsContact C-N 3.32Å; W738-T740 PolarHBondContact O-N 3.21Å; W738-N741 PolarHBondContact O-N 3.11Å; W738-L742 HydrophobicContact CH2-CD1 4.28Å; W738-L742 HydrophobicContact CZ2-CD1 4.23Å; W738-L742 PolarHBondContact O-N 2.96Å; W738-L763 HydrophobicContact CH2-CB 4.15Å; W738-L763 HydrophobicContact CH2-CD1 4.46Å; W738-L763 HydrophobicContact CH2-CD2 4.24Å; W738-L763 HydrophobicContact CZ2-CD1 4.24Å; W738-L763 HydrophobicContact CZ2-CD2 4.13Å
739L35.8Very low34.9Very low100 Ų100117.1 Ų117.152%0.52463%0.628SS.*Hα-helixtrans-59.2-40.2177.4-141.175.4000112.6A735 N736 N741 L742 T743A735-L739 PolarHBondContact O-N 2.84Å; N736-L739 PolarHBondContact O-N 3.03Å; L739-N741 VanDerWaalsContact C-N 3.26Å; L739-N741 PolarHBondContact O-N 2.94Å; L739-L742 WeakPolarHBondContact O-CB 3.37Å; L739-L742 PolarHBondContact O-N 2.71Å; L739-T743 PolarHBondContact O-N 2.78Å
740T38.5Very low34.4Very low77 Ų77122 Ų12247%0.47264%0.642SS.*Hα-helixtrans-69.6-16.1176.955.30000114.7N736 A737 W738 T743 N744N736-T740 WeakPolarHBondContact O-CG2 3.47Å; N736-T740 PolarHBondContact O-N 2.74Å; N736-T740 PolarHBondContact O-OG1 3.03Å; A737-T740 WeakPolarHBondContact CA-OG1 3.31Å; A737-T740 PolarHBondContact O-N 3.17Å; A737-T740 PolarHBondContact O-OG1 3.21Å; W738-T740 VanDerWaalsContact C-N 3.32Å; W738-T740 PolarHBondContact O-N 3.21Å; T740-T743 PolarHBondContact O-OG1 3.24Å; T740-N744 PolarHBondContact O-ND2 3.31Å
741N36.7Very low33.7Very low121 Ų121121.4 Ų121.465%0.64765%0.65SS**Hα-helixtrans-84.2-34.5170.8-77.7-73.2000111.4A737 W738 L739 T743 N744A737-N741 PolarHBondContact O-N 3.24Å; A737-N741 PolarHBondContact O-ND2 3.39Å; W738-N741 PolarHBondContact O-N 3.11Å; L739-N741 VanDerWaalsContact C-N 3.26Å; L739-N741 PolarHBondContact O-N 2.94Å; N741-T743 PolarHBondContact O-N 3.37Å; N741-N744 PolarHBondContact O-N 3.02Å
742L33.9Very low33.1Very low123 Ų123122 Ų12264%0.64466%0.657SS**Hα-helixtrans-61.6-32.9176.9-136104.9000112.5W738 L739W738-L742 HydrophobicContact CH2-CD1 4.28Å; W738-L742 HydrophobicContact CZ2-CD1 4.23Å; W738-L742 PolarHBondContact O-N 2.96Å; L739-L742 WeakPolarHBondContact O-CB 3.37Å; L739-L742 PolarHBondContact O-N 2.71Å
743T32.6Very low32.5Very low112 Ų112124.3 Ų124.369%0.68767%0.67SS**THydrogen-bonded Turntrans-81.9-6.6179.252.50000114.8L739 T740 N741L739-T743 PolarHBondContact O-N 2.78Å; T740-T743 PolarHBondContact O-OG1 3.24Å; N741-T743 PolarHBondContact O-N 3.37Å
744N28.6Very low32.1Very low113 Ų113126.3 Ų126.360%0.60468%0.681SS**THydrogen-bonded Turntrans-103.914.7-171.8-89.5-57.8000115.6T740 N741 K746T740-N744 PolarHBondContact O-ND2 3.31Å; N741-N744 PolarHBondContact O-N 3.02Å; N744-K746 PolarHBondContact O-N 3.05Å; N744-K746 VanDerWaalsContact O-N 3.1Å
745G27.7Very low31.9Very low75 Ų75126.7 Ų126.777%0.77368%0.684SS**  trans58.734.1148.200000118.2
746K26.4Very low31.8Very low185 Ų185126.8 Ų126.880%0.80468%0.677SS**  trans-135.178.3-178.5-75.1-175.4179176.40114.4N744N744-K746 PolarHBondContact O-N 3.05Å; N744-K746 VanDerWaalsContact O-N 3.1Å
747F30.4Very low31.4Very low218 Ų218125.6 Ų125.696%0.95667%0.673SS**  trans-140.5139.9144.6-86.5-72000109.8
748S25.4Very low30.9Very low105 Ų105127 Ų12773%0.73468%0.679SS**  trans-130149.8176.8-550000108.9
749N26.5Very low30.8Very low153 Ų153125 Ų12582%0.81868%0.681SS**  trans69.779.6173.5-53.1-12.6000116.4
750Y28.3Very low30.5Very low227 Ų227126.1 Ų126.189%0.8969%0.685SS**  trans-130.3127.7140.1-100.5-88.7000108.6
751P26.7Very low30.2Very low118 Ų118128.9 Ų128.977%0.76669%0.691SS**  trans-85117.5178.731.8-31.5000111.7N753P751-N753 PolarHBondContact O-N 3.22Å
752N26.9Very low30.1Very low148 Ų148129.3 Ų129.379%0.79169%0.693SS**SBendtrans6.298.2162.7-56-7.3000118.3
753N28.6Very low29.9Very low153 Ų153128.2 Ų128.282%0.81869%0.688SS**  179.5167.6110.9-88.8-20.2000111.6P751P751-N753 PolarHBondContact O-N 3.22Å
754L31.9Very low29.7Very low173 Ų173128.9 Ų128.991%0.90669%0.686SS**  trans62.891177.4-64.5167.7000116.2
755I30.5Very low29.8Very low148 Ų148128.7 Ų128.776%0.75969%0.685SS**  trans-118123148.9-65.4178.1000107
756D35.9Very low29.7Very low56 Ų56132.3 Ų132.330%0.29969%0.686SS.*  trans-78.7122.4178.9178.8-10.7000110.5C758 V759 M760 K1598D756-C758 PolarHBondContact O-N 3.4Å; D756-C758 VanDerWaalsContact O-N 3.13Å; D756-C758 WeakPolarHBondContact OD1-CB 3.31Å; D756-C758 PolarHBondContact OD1-N 3.08Å; D756-V759 HydrophobicContact CB-CG2 4.02Å; D756-V759 PolarHBondContact O-N 2.71Å; D756-M760 PolarHBondContact O-N 2.94Å; D756-K1598 IonicContact OD2-NZ 2.66Å; D756-K1598 PolarHBondContact OD2-NZ 2.62Å
757P30.8Very low29.8Very low57 Ų57131.1 Ų131.137%0.3769%0.688SS.*Hα-helixtrans-54.6-28.7177.2-27.236000114.8M760 F761P757-M760 PolarHBondContact O-N 2.94Å; P757-F761 PolarHBondContact O-N 2.8Å; P757-F761 VanDerWaalsContact O-N 3.07Å
758C31.2Very low29.7Very low77 Ų77125 Ų12552%0.5267%0.673SS.*Hα-helixtrans-68.4-34.2178.1-64.50000112.2D756 M760 F761 N762D756-C758 PolarHBondContact O-N 3.4Å; D756-C758 VanDerWaalsContact O-N 3.13Å; D756-C758 WeakPolarHBondContact OD1-CB 3.31Å; D756-C758 PolarHBondContact OD1-N 3.08Å; C758-M760 VanDerWaalsContact C-N 3.28Å; C758-M760 PolarHBondContact O-N 2.81Å; C758-F761 PolarHBondContact O-N 3.34Å; C758-N762 PolarHBondContact O-N 2.9Å
759V34.5Very low29.7Very low85 Ų85127.8 Ų127.852%0.51568%0.679SS.*Hα-helixtrans-68.6-32175.1-179.60000110.8D756D756-V759 HydrophobicContact CB-CG2 4.02Å; D756-V759 PolarHBondContact O-N 2.71Å
760M28.3Very low29.7Very low124 Ų124126 Ų12661%0.61167%0.674SS**Hα-helixtrans-74.4-30.1175.8-162.8171.5-173.100112.8D756 P757 C758D756-M760 PolarHBondContact O-N 2.94Å; P757-M760 PolarHBondContact O-N 2.94Å; C758-M760 VanDerWaalsContact C-N 3.28Å; C758-M760 PolarHBondContact O-N 2.81Å
761F32.7Very low29.6Very low135 Ų135123.9 Ų123.959%0.59268%0.677SS**Hα-helixtrans-75.4-39.8178.7-118.7-91.9000113.2P757 C758 L763 L764 N765P757-F761 PolarHBondContact O-N 2.8Å; P757-F761 VanDerWaalsContact O-N 3.07Å; C758-F761 PolarHBondContact O-N 3.34Å; F761-L763 PolarHBondContact O-N 2.95Å; F761-L763 VanDerWaalsContact O-N 3.14Å; F761-L764 PolarHBondContact O-N 3.47Å; F761-N765 PolarHBondContact O-N 2.78Å; F761-N765 VanDerWaalsContact O-N 3.1Å
762N33.3Very low29.6Very low131 Ų131121.7 Ų121.770%0.70168%0.675SS**THydrogen-bonded Turntrans-68.6-11.3179.6-71.83.1000113.7C758C758-N762 PolarHBondContact O-N 2.9Å
763L30.9Very low29.6Very low100 Ų100122.7 Ų122.752%0.52468%0.681SS.*THydrogen-bonded Turntrans-96.5-2.2170.5-74.7167.6000114W738 F761W738-L763 HydrophobicContact CH2-CB 4.15Å; W738-L763 HydrophobicContact CH2-CD1 4.46Å; W738-L763 HydrophobicContact CH2-CD2 4.24Å; W738-L763 HydrophobicContact CZ2-CD1 4.24Å; W738-L763 HydrophobicContact CZ2-CD2 4.13Å; F761-L763 PolarHBondContact O-N 2.95Å; F761-L763 VanDerWaalsContact O-N 3.14Å
764L28.4Very low29.4Very low126 Ų126125.1 Ų125.166%0.6668%0.684SS**THydrogen-bonded Turntrans-118.6-12.6-180-76.1169.8000113.9F761 L766F761-L764 PolarHBondContact O-N 3.47Å; L764-L766 VanDerWaalsContact C-N 3.32Å; L764-L766 PolarHBondContact O-N 3.12Å
765N29.6Very low29.1Very low108 Ų108124.5 Ų124.558%0.57868%0.68SS**  trans-92.932.3-176.6-146.628000114.6F761F761-N765 PolarHBondContact O-N 2.78Å; F761-N765 VanDerWaalsContact O-N 3.1Å
766L27.3Very low28.9Very low151 Ų151124.4 Ų124.479%0.79168%0.682SS**SBendtrans-112.749.8175.3-79172.9000111.8L764L764-L766 VanDerWaalsContact C-N 3.32Å; L764-L766 PolarHBondContact O-N 3.12Å
767N28.4Very low28.4Very low160 Ų160129.7 Ų129.786%0.85671%0.71SS**SBendtrans-164.754.3169-106.8-33.3000114.3
768S26.9Very low28.1Very low90 Ų90135.9 Ų135.963%0.62973%0.734SS**SBendtrans-157.753.4170.962.40000113.8
769N26.6Very low27.9Very low163 Ų163140.8 Ų140.887%0.87275%0.753SS**SBendtrans-159.352.5167.4-107.4-17.5000112.9
770T26.6Very low27.4Very low116 Ų116141.5 Ų141.571%0.71276%0.762SS**SBendtrans-152.9141.916612.90000108.6
771I26.6Very low27.2Very low183 Ų183142.8 Ų142.894%0.93877%0.771SS**SBendtrans78.5110.8-163.1-52.7164000111.7
772G25.9Very low27Very low71 Ų71144 Ų14473%0.73278%0.782SS**  trans151.8-2.7174.100000118.7
773N26Very low26.7Very low170 Ų170145.2 Ų145.291%0.90979%0.788SS**  trans-142.169177.9-100.9-21.6000112.3
774K25.8Very low26.6Very low203 Ų203145.4 Ų145.488%0.88380%0.795SS**SBendtrans-157.558.3166.7-153.9170.1-172.3174.10113.1
775L25Very low26.4Very low160 Ų160144.2 Ų144.284%0.83880%0.797SS**SBendtrans-160.3160.3166.4-108.9162.4000108.6
776N26.1Very low26.3Very low147 Ų147145.9 Ų145.979%0.78681%0.811SS**  trans65.861.9176-561.5000116
777N24.9Very low26.1Very low167 Ų167145.6 Ų145.689%0.89381%0.811SS**  trans-137.959.4145.2-146.416.1000110.6
778E24.4Very low26.1Very low186 Ų186146 Ų14687%0.86981%0.812SS**  trans-169.198.9163-117.4179.3-146.300108.6
779I27.8Very low26Very low181 Ų181149.4 Ų149.493%0.92882%0.823SS**  trans-172.3100.3145.7-90.4149.1000104.2
780S23.3Very low26Very low99 Ų99147.8 Ų147.869%0.69282%0.823SS**  trans-122.6146.6164.650.80000107.9
781N24.7Very low26Very low152 Ų152147.3 Ų147.381%0.81382%0.824SS**  trans63.5102.4171-52.3-21.7000117.3
782I28.9Very low25.9Very low161 Ų161145.3 Ų145.383%0.82681%0.811SS**  trans-161.1130.7139-107.1156.4000110.4
783L25.6Very low26Very low156 Ų156148.2 Ų148.282%0.81781%0.81SS**  trans68.7157.7166.2-10060.4000118.3
784P30Very low26Very low104 Ų104148.4 Ų148.468%0.67581%0.81SS**  -141.5-176.9-107.144.3-25.4000116.6
785S23Very low26.1Very low101 Ų101147.7 Ų147.771%0.70681%0.807SS**  trans3.9120.1152.461.20000119.6
786T28.4Very low26.4Very low142 Ų142150.3 Ų150.387%0.87181%0.812SS**  -162.5146.1118.75.60000110.8
787D23.7Very low26.5Very low146 Ų146152.1 Ų152.178%0.78181%0.813SS**  trans-71.7153.1176.1-50.4-95.7000112.4
788L28.5Very low26.7Very low167 Ų167149.2 Ų149.287%0.87480%0.801SS**  176.1130.2112.4-92.7164.7000111.5
789N24.7Very low26.7Very low162 Ų162147.3 Ų147.387%0.86680%0.797SS**  trans-76.6126.6164.5-81.3-48.8000110
790C26.2Very low26.8Very low130 Ų130144.2 Ų144.288%0.87879%0.787SS**  trans-161.2109.6154.3-136.10000113.7
791S25.8Very low27.1Very low105 Ų105145 Ų14573%0.73479%0.788SS**  trans-86157.2157.7-31.60000108.4
792E25.6Very low27.3Very low141 Ų141144.4 Ų144.466%0.65978%0.784SS**  cis-146158.28.3-83.4-166.482.400112.2
793N27.4Very low27.4Very low133 Ų133143.2 Ų143.271%0.71178%0.779SS**  trans38.6128.1139.2-66-46.7000122.6
794L27.1Very low27.5Very low174 Ų174141.8 Ų141.891%0.91177%0.772SS**  trans-123129.4152.5-127.1174.7000110.7
795K26.8Very low27.2Very low187 Ų187141.6 Ų141.681%0.81377%0.773SS**PPolyproline II helixtrans-81.7153-168.1-55.3172.3-179.1175.60112.6
796F32.5Very low27.4Very low216 Ų216141.3 Ų141.395%0.94777%0.767SS**SBendtrans-67157151-87-81.8000110.3
797K27.6Very low27.2Very low185 Ų185141.1 Ų141.180%0.80476%0.761SS**SBendtrans-94.3143-137.3-156.7169.9-177.7176.80115.4
798T27.7Very low27.3Very low105 Ų105141.1 Ų141.164%0.64476%0.759SS**  trans71127158.332.10000121.1
799N26.1Very low27.2Very low147 Ų147140.1 Ų140.179%0.78676%0.755SS**  trans75.2131.2143.5-61.75.2000118.4
800T28.7Very low27.4Very low116 Ų116138.1 Ų138.171%0.71275%0.754SS**  cis-143.3151.3-343.40000110.7
801T29.9Very low27.4Very low116 Ų116139 Ų13971%0.71275%0.748SS**  trans37.4121.4152.860.20000119.4
802D28.7Very low27.5Very low139 Ų139140.2 Ų140.274%0.74375%0.746SS**  cis-172.8-178.6-7-113.7-52.7000106.3
803L30.9Very low27.5Very low135 Ų135138.2 Ų138.271%0.70775%0.747SS**  cis-143.3-138.57.5-139.7179.8000109.4
804N28Very low27.4Very low126 Ų126138.4 Ų138.467%0.67475%0.749SS**  trans-124.6155-173.6-56.1-35.7000110.1
805S24.8Very low27.3Very low100 Ų100136.3 Ų136.370%0.69974%0.738SS**  cis76.7149.524.899.50000114.3
806V26.1Very low27.2Very low96 Ų96133.7 Ų133.758%0.58273%0.732SS**  cis-170.1154.6-11.9114.50000110.7
807N25.4Very low26.8Very low138 Ų138129.9 Ų129.974%0.73872%0.721SS**  trans59.1-178.9165-67.2-8.1000117.7
808I24.7Very low26.7Very low146 Ų146126.3 Ų126.375%0.74972%0.715SS**  cis-145.5138.720.9-67171.3000114.1
809N25.8Very low26.5Very low146 Ų146126.7 Ų126.778%0.78172%0.717SS**  trans20.5140.2151.8-48.3-6.2000125.1
810S28.7Very low26.4Very low120 Ų120126 Ų12684%0.83971%0.714SS**  trans-167177.4144.757.90000112
811I26.8Very low26.3Very low148 Ų148127.3 Ų127.376%0.75972%0.715SS**  -153.5161-74.5-148.8172.5000112.3
812N29.1Very low26.1Very low131 Ų131126.8 Ų126.870%0.70171%0.712SS**  trans59.3111.6163.8-73.24.7000123.4
813S23.9Very low25.8Very low98 Ų98125.5 Ų125.569%0.68571%0.709SS**  43.7147.3104.1-40.30000125.2
814D25.5Very low25.8Very low138 Ų138126.6 Ų126.674%0.73871%0.714SS**  trans90.4104.5140.5-65.7-32.6000123.2
815N24.6Very low25.6Very low129 Ų129124.5 Ų124.569%0.6971%0.709SS**  78.5131.5119-78.3-44.5000124.3
816I25.6Very low25.8Very low133 Ų133126.5 Ų126.568%0.68271%0.712SS**  trans83.3111.1130.8-71.1170.8000120.2
817N23.4Very low25.7Very low135 Ų135129 Ų12972%0.72272%0.722SS**  trans79.6137.7138.6-76.93000124.8
818T25.3Very low25.7Very low110 Ų110129.8 Ų129.868%0.67573%0.725SS**  trans74.896.7136.950.90000121.8
819T24.6Very low25.7Very low113 Ų113128.9 Ų128.969%0.69373%0.726SS**  68133.511960.70000122.2
820N23.5Very low25.9Very low132 Ų132132.4 Ų132.471%0.70673%0.73SS**  trans91.5134.6130.5-79.15.3000121.7
821I26.4Very low26.2Very low144 Ų144131.8 Ų131.874%0.73872%0.723SS**  trans73.8128.6139.4-68.2168.2000116.5
822T26Very low26.3Very low105 Ų105132.4 Ų132.464%0.64473%0.726SS**  cis-167.9142.9-7.226.30000111.5
823T23.6Very low26.2Very low113 Ų113132 Ų13269%0.69372%0.724SS**  trans56.9166.2139.966.60000122.7
824I29.7Very low26.3Very low157 Ų157137.9 Ų137.981%0.80573%0.732SS**  trans74.3138.5163.3-56.4164.6000115.1
825S24.1Very low26.4Very low82 Ų82135.4 Ų135.457%0.57373%0.725SS**  cis-176.8160.5-36.561.90000108.4
826N28.3Very low26.7Very low142 Ų142135.8 Ų135.876%0.75973%0.727SS**  trans70.7106.3154.7-55.3-15.8000121.3
827N24.7Very low26.8Very low148 Ų148137.2 Ų137.279%0.79173%0.728SS**  30.8148.1124.5-65.5-14.8000124
828I25.8Very low27Very low155 Ų155136.7 Ų136.780%0.79573%0.726SS**  trans79.9139.6152.5-82.6166.6000116.4
829T25Very low27Very low127 Ų127138 Ų13878%0.77973%0.729SS**  cis-148.1177.99.2-70000114.7
830Y28.9Very low27Very low221 Ų221137.8 Ų137.887%0.86773%0.732SS**  trans-92.9-173.6162.4-66.9-83000112.1
831P35.6Very low27.1Very low107 Ų107139.4 Ų139.470%0.69574%0.738SS**  cis-140.2-162.60.639.1-16.1000117.2
832I29.1Very low27.8Very low160 Ų160137.9 Ų137.982%0.82174%0.738SS**  trans85.7155156.4-75.7166000120.7
833N26.5Very low27.7Very low122 Ų122140.3 Ų140.365%0.65275%0.745SS**  cis-173.2163-47-148.2-6.5000114.3
834W25.9Very low27.7Very low223 Ų223142.2 Ų142.285%0.84575%0.751SS**  trans64.8155.4158.8-75.511.2000121.6
835S28.6Very low27.4Very low85 Ų85139.4 Ų139.459%0.59474%0.742SS**  cis-171.3148.4-19560000116.1
836N29.3Very low27.4Very low137 Ų137141.9 Ų141.973%0.73375%0.748SS**  trans62.9164150.4-64.7-3.5000122.2
837F28.3Very low27.3Very low163 Ų163141.9 Ų141.972%0.71575%0.748SS**  cis-160.315311.4-126.1-42.8000114.3
838N27.2Very low27.3Very low125 Ų125139.9 Ų139.967%0.66874%0.737SS**  trans63.7147.3154.3-66.6-22.4000120.6
839N26.1Very low27.2Very low138 Ų138142.4 Ų142.474%0.73874%0.742SS**  cis-146.5156.17.3-108.3-16.6000111.5
840S25.4Very low27.4Very low108 Ų108142 Ų14276%0.75573%0.734SS**  trans67.4100.4162.8-570000120.9
841I25.3Very low27.1Very low165 Ų165136.7 Ų136.785%0.84672%0.721SS**  trans31.3133.1136.1-50.3171.2000119.1
842P39.7Very low26.7Very low113 Ų113138.1 Ų138.173%0.73472%0.723SS**SBendcis-123.2-161.92.939.7-22.2000113.2
843I25.3Very low26.7Very low155 Ų155135.2 Ų135.280%0.79571%0.709SS**  trans61.499.7-163.1-54.6179000110.8
844N23.5Very low26.7Very low153 Ų153135 Ų13582%0.81871%0.708SS**  trans-160.8144161-12119.5000109.2
845V23.7Very low26.8Very low99 Ų99129.9 Ų129.960%0.670%0.697SS**  cis-176.9164.7-31.1113.50000107.1
846N24.2Very low26.6Very low133 Ų133132.8 Ų132.871%0.71170%0.701SS**  trans21.3133.2153.2-56.8-8.4000119.5
847N25.2Very low26.4Very low142 Ų142132.9 Ų132.976%0.75970%0.7SS**  49.8120.386.8-137.82.7000113.3
848L25.2Very low26.3Very low106 Ų106129.6 Ų129.656%0.55570%0.697SS**  trans72.880.3166.3-61.1164.5000119I850L848-I850 HydrophobicContact CB-CG1 4.16Å; L848-I850 HydrophobicContact CD2-CG1 4.46Å
849K24.2Very low26.2Very low208 Ų208132.2 Ų132.290%0.90471%0.705SS**SBend-86.898.496.2-88.6-173.8174.3-178.80105.7
850I27.3Very low26.4Very low118 Ų118131 Ų13161%0.60570%0.704SS**  60.583.682.9-62.6174.6000105.3L848L848-I850 HydrophobicContact CB-CG1 4.16Å; L848-I850 HydrophobicContact CD2-CG1 4.46Å
851N23.9Very low26.4Very low111 Ų111129.7 Ų129.759%0.59470%0.7SS**  43.3114.884-64.719.2000109.2
852N27.5Very low26.4Very low137 Ų137127.2 Ų127.273%0.73369%0.693SS**  -159.3152.481.4-78.3-13.3000109
853N28.7Very low25.8Very low98 Ų98125.1 Ų125.152%0.52468%0.681SS.*  cis-164161.5-10.7-113.5-4.2000109.9
854N27Very low25.9Very low118 Ų118121 Ų12163%0.63166%0.663SS**  trans51.1129.8135-60.29.4000121.6
855N26.9Very low26Very low116 Ų116119.7 Ų119.762%0.6265%0.651SS**  85.7119.5127.9-70.633000120.8
856E24.1Very low26.3Very low146 Ų146120.3 Ų120.368%0.68265%0.65SS**  74.1117.5120.6-64.4176.4130.300121.3
857I26.7Very low26.6Very low139 Ų139118 Ų11871%0.71364%0.638SS**  59.9108.2120.9-56167.3000117.3
858S24.5Very low26.6Very low93 Ų93116.2 Ų116.265%0.6562%0.624SS**  trans85.6152.7142.979.10000120.8
859H26.7Very low26.9Very low180 Ų180117.1 Ų117.183%0.83363%0.634SS**  trans68.4152.8171.6-66.9-73.2000119.2
860P30.5Very low27.1Very low112 Ų112110.7 Ų110.773%0.72762%0.615SS**  trans-126.6179.1-155.642-25.8000115.5
861A24.7Very low26.9Very low81 Ų81109.3 Ų109.367%0.66962%0.616SS**  trans78.9136.715300000120.7
862T25.8Very low27.1Very low114 Ų114112.6 Ų112.670%0.69963%0.625SS**  trans54.49914851.20000118.9
863S27.1Very low26.9Very low68 Ų68113.5 Ų113.548%0.47663%0.625SS.*  88.2164.285.375.50000113.1
864T27Very low26.7Very low68 Ų68115.2 Ų115.242%0.41763%0.633SS.*  cis-165.9166.725.8-21.70000111.8
865F25.9Very low26.5Very low127 Ų127114.2 Ų114.256%0.55763%0.628SS**  trans66.9147157-70-52.6000120.3I951F865-I951 HydrophobicContact CD1-CG2 4.48Å; F865-I951 WeakPolarHBondContact CD1-O 3.26Å; F865-I951 VanDerWaalsContact CE1-O 3.29Å; F865-I951 WeakPolarHBondContact CE1-O 3.43Å
866N28.6Very low26.4Very low112 Ų112113.9 Ų113.960%0.59963%0.626SS**  cis-146.5125.75.4-83.7-45.4000114.6N950N866-N950 CarbonylContact C-O 3.55Å; N866-N950 VanDerWaalsContact C-O 3.29Å; N866-N950 WeakPolarHBondContact CA-O 3.37Å; N866-N950 PolarHBondContact OD1-O 2.66Å
867N30.3Very low26.4Very low84 Ų84113.2 Ų113.245%0.44963%0.627SS.*  trans-171.4145.6163.9-115.4-70.2000120.2G949 N950 I951N867-G949 PolarHBondContact OD1-N 2.74Å; N867-N950 VanDerWaalsContact C-C 3.44Å; N867-N950 VanDerWaalsContact C-CA 3.45Å; N867-N950 PolarHBondContact N-O 2.91Å; N867-N950 CarbonylContact O-C 2.99Å; N867-N950 WeakPolarHBondContact O-CA 3.46Å; N867-N950 VanDerWaalsContact O-CB 3.24Å; N867-N950 WeakPolarHBondContact O-CB 3.44Å; N867-I951 HydrophobicContact CB-CD1 4.18Å; N867-I951 HydrophobicContact CB-CG1 4.17Å; N867-I951 VanDerWaalsContact N-CG1 3.26Å; N867-I951 PolarHBondContact O-N 3.34Å
868F25.9Very low26.4Very low105 Ų105112.7 Ų112.746%0.46163%0.626SS.*  trans-82.5-169.4-160.6-138.2-11.5000119.4Y948 G949 N950F868-Y948 WeakPolarHBondContact CB-O 3.32Å; F868-Y948 WeakPolarHBondContact CD2-O 3.4Å; F868-G949 VanDerWaalsContact CB-O 3.3Å; F868-G949 WeakPolarHBondContact CB-O 3.31Å; F868-G949 WeakPolarHBondContact CD2-O 3.46Å; F868-G949 VanDerWaalsContact CG-C 3.45Å; F868-G949 WeakPolarHBondContact CG-O 3.39Å; F868-G949 VanDerWaalsContact N-CA 3.27Å; F868-N950 HydrophobicContact CB-CB 4.44Å; F868-N950 HydrophobicContact CD1-CB 3.66Å; F868-N950 HydrophobicContact CE1-CB 4.37Å; F868-N950 HydrophobicContact CG-CB 4.35Å
869T30.8Very low26.4Very low125 Ų125115.4 Ų115.477%0.76763%0.628SS**  cis-138.6157.744.2-43.80000116.3
870S28.9Very low26.4Very low72 Ų72112.6 Ų112.650%0.50362%0.624SS.*  trans-75.9177.7171.3450000115
871S24.2Very low26.1Very low89 Ų89115.2 Ų115.262%0.62263%0.629SS**  cis-172.8169.3-24.4-83.60000109.8
872F26.6Very low26.2Very low181 Ų181118 Ų11879%0.79463%0.631SS**  trans71.1137.3173.5-58.1-80.6000116
873Q23.3Very low26.3Very low156 Ų156115.4 Ų115.473%0.72963%0.627SS**  cis69.1136.446.2-70.4-175.8-44.200113.3
874L25.4Very low26.3Very low133 Ų133120 Ų12070%0.69664%0.643SS**  cis-133.9142.11.7-89.6120.9000108.4
875N22.6Very low26.4Very low97 Ų97123.6 Ų123.652%0.51966%0.66SS.*  72.8110.581-156.410.1000116.3
876N24.3Very low26.5Very low110 Ų110123.5 Ų123.559%0.58866%0.664SS**  trans63.4140.9157.5-74.9-11.7000124.1
877N25.4Very low26.3Very low132 Ų132123.6 Ų123.671%0.70667%0.669SS**  trans75.2114.3157.3-59.1-11.6000120.5
878N26Very low26.1Very low128 Ų128126.9 Ų126.968%0.68469%0.687SS**  trans67.3148.3144.3-63.532.2000117.9
879E24.2Very low26Very low150 Ų150127.8 Ų127.870%0.70170%0.696SS**  cis-160.3170.9-11.5-121.1173.5133.500109.2
880T26.2Very low25.8Very low121 Ų121129.7 Ų129.774%0.74270%0.696SS**  trans63122159.949.80000118.7
881M25.1Very low25.5Very low167 Ų167135.1 Ų135.182%0.82371%0.714SS**  72.5130.791.7-142-161.1173.900112
882I27.5Very low25.7Very low138 Ų138137.8 Ų137.871%0.70872%0.72SS**  cis-148.1147.634.2-65.2158.5000108.3
883G26.8Very low25.6Very low61 Ų61138.1 Ų138.163%0.62972%0.721SS**  cis153.7-172.8-4.300000113.4
884M26.8Very low25.7Very low165 Ų165137.4 Ų137.481%0.81372%0.721SS**  trans70128.6173.3-54.1-178.7-179.700116.2
885N29.7Very low25.8Very low143 Ų143138 Ų13877%0.76573%0.725SS**  cis-111.2126.214.7-78.3-43.2000115
886L27.7Very low25.9Very low124 Ų124143.5 Ų143.565%0.64975%0.745SS**  28.4115.9112.1-59.7164.4000116.1
887T24Very low26.1Very low115 Ų115143.8 Ų143.871%0.70676%0.755SS**  56.5142.574.372.80000114.1
888N27.1Very low26.2Very low153 Ų153144.9 Ų144.982%0.81876%0.759SS**  cis-155.3174.519.4-148.9-0.9000113.9
889N23.9Very low26.4Very low123 Ų123147.9 Ų147.966%0.65877%0.769SS**  trans-87.7138.2171-114-43.2000112.5
890Q25.3Very low26.6Very low165 Ų165148 Ų14877%0.77178%0.775SS**  trans60.7162.5142.1-66.8175.126.100122.3
891Q24.1Very low26.6Very low187 Ų187145.1 Ų145.187%0.87477%0.769SS**  trans70.1141.7-175.6-48.6-170.412.100113.1
892I27.3Very low26.8Very low145 Ų145144.6 Ų144.674%0.74477%0.77SS**  cis-126.2143.222.2-70.2167.2000112.2L894I892-L894 HydrophobicContact CG2-CB 4.2Å; I892-L894 HydrophobicContact CG2-CD1 4.42Å
893K23.9Very low26.9Very low188 Ų188143.7 Ų143.782%0.81777%0.771SS**  trans-85.9115.5163.6-126.8-177.6-175.6178.20107.7
894L26.9Very low26.8Very low141 Ų141148.1 Ų148.174%0.73878%0.78SS**  trans-155.8121.2164.5-111.2172.8000113.7I892I892-L894 HydrophobicContact CG2-CB 4.2Å; I892-L894 HydrophobicContact CG2-CD1 4.42Å
895N27.1Very low26.8Very low145 Ų145145.3 Ų145.378%0.77577%0.772SS**  trans28.5126.1157.2-60.9-4.4000122.5
896K24.8Very low26.7Very low213 Ų213147.4 Ų147.493%0.92678%0.775SS**  trans-73.9132.4147.8-70.2174.9175.7173.10110.4
897S28.4Very low26.6Very low116 Ų116148 Ų14881%0.81178%0.784SS**  trans-157.5129.2142.354.10000110.2
898I27.9Very low26.7Very low155 Ų155147.2 Ų147.280%0.79578%0.783SS**  trans-79.2136.7-171.1-65.9154.4000111.4
899Q29.3Very low26.6Very low190 Ų190145 Ų14589%0.88878%0.779SS**  trans-160.9138.9134.4-118.4173.1-12.500112.1
900D27.9Very low26.8Very low153 Ų153145.1 Ų145.182%0.81879%0.79SS**  trans-81159176.6-53.9-89.7000111.3
901G27.2Very low27Very low61 Ų61142.6 Ų142.663%0.62979%0.79SS**  cis163.2173.5-4.500000110.6
902N29.4Very low27.7Very low155 Ų155139 Ų13983%0.82978%0.783SS**  trans-171.5126145.8-108.3-15000116
903T28.7Very low27.8Very low120 Ų120136.9 Ų136.974%0.73678%0.781SS**  trans46.699.1139.858.90000122.4
904N25.3Very low28.1Very low154 Ų154132.7 Ų132.782%0.82478%0.776SS**  -48.6156.5119.3-81.9-30.6000111.4
905V27.1Very low28.2Very low106 Ų106131.1 Ų131.164%0.64278%0.776SS**  cis-165.4142.19.8119.60000110.6
906F27.6Very low28.2Very low187 Ų187129.1 Ų129.182%0.8277%0.774SS**  trans37.3135.3152-67.4-126.8000123.1
907T26.4Very low28.4Very low136 Ų136123.7 Ų123.783%0.83476%0.763SS**  -144.7133.8119.441.90000113.7
908S25.4Very low28.4Very low98 Ų98123.8 Ų123.869%0.68576%0.763SS**  trans-18158.9148.447.30000120
909S25.6Very low28.4Very low107 Ų107121.1 Ų121.175%0.74876%0.758SS**  cis177143-8.751.90000112
910S28.3Very low28.4Very low126 Ų126117.4 Ų117.488%0.88175%0.753SS**  trans-179162.9149.845.30000114.3
911S29.6Very low28.4Very low112 Ų112115 Ų11578%0.78375%0.749SS**  trans-108.2-169.6176.5-40.60000110
912P38.6Very low28.6Very low112 Ų112117.5 Ų117.573%0.72776%0.757SS**  cis-143.3179.9-2.837.4-14.8000118
913S28.8Very low28.6Very low99 Ų99114.9 Ų114.969%0.69275%0.75SS**  trans72.2139.3138.359.50000126.4
914S29.8Very low28.5Very low101 Ų101116.8 Ų116.871%0.70675%0.753SS**  trans86.4101.4133.260.80000125
915S28.4Very low28.7Very low107 Ų107115.5 Ų115.575%0.74875%0.746SS**  73.9128.711768.90000126.1
916S28.1Very low28.7Very low103 Ų103116.4 Ų116.472%0.7275%0.747SS**  87.2117.1126.862.60000125
917S28.8Very low28.8Very low100 Ų100115.4 Ų115.470%0.69975%0.745SS**  82.4110.3123.866.20000125.2
918S29Very low28.8Very low118 Ų118113.4 Ų113.483%0.82574%0.742SS**  trans73.3155.4131.982.70000119.3
919S28.3Very low28.8Very low98 Ų98118 Ų11869%0.68575%0.753SS**  cis-160.2175.81063.80000113.2
920S28.7Very low28.9Very low112 Ų112118.4 Ų118.478%0.78376%0.756SS**  trans74.2148.4160760000119.6
921S27.6Very low28.6Very low103 Ų103123.1 Ų123.172%0.7276%0.756SS**  cis-167.5169-17.550.10000112.6
922S31.3Very low29.1Very low114 Ų114123 Ų12380%0.79775%0.753SS**  trans70.2148.5175.476.30000116.8
923S29.4Very low28.5Very low100 Ų100125.2 Ų125.270%0.69976%0.757SS**  cis-174.1163.5-18.348.70000108.7
924M27.5Very low28.3Very low159 Ų159128.9 Ų128.978%0.78377%0.765SS**  cis-166.3170.8-19.3-105.617167.400110.2
925N28.1Very low28.2Very low127 Ų127129 Ų12968%0.67977%0.766SS**  trans71.3108.2160.5-64.44.8000121.9
926N28.7Very low28.1Very low126 Ų126135.9 Ų135.967%0.67478%0.776SS**  trans78.6135.5132.8-65.637.9000123.7
927E29.2Very low28.1Very low165 Ų165138.6 Ų138.677%0.77178%0.781SS**  trans69.238.8143.3-72.1150.4-124.900120.5
928A25.6Very low27.8Very low94 Ų94138.6 Ų138.678%0.77778%0.781SS**  48.776.6122.600000120.5
929E25.7Very low27.6Very low196 Ų196140.6 Ų140.692%0.91678%0.782SS**  trans-110.7144.1149.9-64.9-175.4151.700109.2
930S27Very low27.3Very low114 Ų114141.1 Ų141.180%0.79779%0.785SS**  trans-127.1130.5-159.4-65.10000116.7
931Y23.6Very low27.2Very low225 Ų225141.9 Ų141.988%0.88278%0.78SS**  trans-116-165163.3-81.4-92.1000108.8
932P39.2Very low27.2Very low111 Ų111142.2 Ų142.272%0.72177%0.774SS**  -132.4-167-94.441.1-21.2000115
933L26.7Very low27Very low158 Ų158142.5 Ų142.583%0.82777%0.767SS**  trans91.6149.3154.6-15077000119.6
934M24.7Very low27Very low175 Ų175143.9 Ų143.986%0.86277%0.766SS**  trans87.8152.5161-12864.6156.900118.4
935S26.1Very low27Very low104 Ų104142.1 Ų142.173%0.72776%0.76SS**  trans-126.3143.9-157.657.90000115.1
936R27.6Very low27Very low251 Ų251143.5 Ų143.595%0.94777%0.768SS**  trans-177.4169.4137.9-101.7169.9-166.1-146.54.2111.4
937I26.8Very low27Very low160 Ų160140.8 Ų140.882%0.82177%0.769SS**  trans-126.7134.3-162.7-57.2163.4000110.3
938S24.1Very low27Very low101 Ų101142.2 Ų142.271%0.70677%0.769SS**  trans160.2122.3132.2-73.80000115.9
939L23.5Very low27.3Very low160 Ų160139.4 Ų139.484%0.83875%0.749SS**  trans61.2135.3133.6-67.7163.9000123.4
940S22.9Very low27.5Very low108 Ų108134.6 Ų134.676%0.75573%0.73SS**  trans77.1154.8156.587.40000116.6
941N25.6Very low27.6Very low128 Ų128131.2 Ų131.268%0.68470%0.702SS**  cis-156.9168.56.9-144.4-3.7000114
942N27.5Very low27.9Very low110 Ų110126 Ų12659%0.58869%0.69SS**  trans69.8108.6148.9-68-24.8000123.1
943N27.4Very low27.5Very low120 Ų120125.6 Ų125.664%0.64268%0.681SS**  78.7128110-59.6-11.7000124
944N29.7Very low27.5Very low129 Ų129122.1 Ų122.169%0.6967%0.67SS**  trans74143.6134.4-61.3-2000120.1
945N26.7Very low27.7Very low122 Ų122121.5 Ų121.565%0.65267%0.67SS**  cis-168.5167.6-13.1-110.8-12.1000112.7
946N29.4Very low27.9Very low157 Ų157124.3 Ų124.384%0.8468%0.678SS**  trans77.6139.8164.2-46.8-37.2000118.5
947G28.5Very low27.8Very low68 Ų68121 Ų12170%0.70168%0.675SS**  cis163.7166.8-1300000116.7
948Y28.8Very low27.7Very low195 Ų195117.7 Ų117.777%0.76567%0.666SS**  trans93.3119.9157.3-69.2-80.1000125.9F868F868-Y948 WeakPolarHBondContact CB-O 3.32Å; F868-Y948 WeakPolarHBondContact CD2-O 3.4Å
949G31.4Very low27.6Very low36 Ų36118.2 Ų118.237%0.37167%0.669SS.*  trans60.4127.4153.400000126.2N867 F868N867-G949 PolarHBondContact OD1-N 2.74Å; F868-G949 VanDerWaalsContact CB-O 3.3Å; F868-G949 WeakPolarHBondContact CB-O 3.31Å; F868-G949 WeakPolarHBondContact CD2-O 3.46Å; F868-G949 VanDerWaalsContact CG-C 3.45Å; F868-G949 WeakPolarHBondContact CG-O 3.39Å; F868-G949 VanDerWaalsContact N-CA 3.27Å
950N29.9Very low27.6Very low95 Ų95117.6 Ų117.651%0.50867%0.665SS.*  cis46.2-140.2-30.8-144.243.6000131.9N866 N867 F868N866-N950 CarbonylContact C-O 3.55Å; N866-N950 VanDerWaalsContact C-O 3.29Å; N866-N950 WeakPolarHBondContact CA-O 3.37Å; N866-N950 PolarHBondContact OD1-O 2.66Å; N867-N950 VanDerWaalsContact C-C 3.44Å; N867-N950 VanDerWaalsContact C-CA 3.45Å; N867-N950 PolarHBondContact N-O 2.91Å; N867-N950 CarbonylContact O-C 2.99Å; N867-N950 WeakPolarHBondContact O-CA 3.46Å; N867-N950 VanDerWaalsContact O-CB 3.24Å; N867-N950 WeakPolarHBondContact O-CB 3.44Å; F868-N950 HydrophobicContact CB-CB 4.44Å; F868-N950 HydrophobicContact CD1-CB 3.66Å; F868-N950 HydrophobicContact CE1-CB 4.37Å; F868-N950 HydrophobicContact CG-CB 4.35Å
951I30.5Very low27.7Very low43 Ų43120.9 Ų120.922%0.22167%0.666CS.*  trans68.5139.4-155.2-77.7177.4000114.4F865 N867F865-I951 HydrophobicContact CD1-CG2 4.48Å; F865-I951 WeakPolarHBondContact CD1-O 3.26Å; F865-I951 VanDerWaalsContact CE1-O 3.29Å; F865-I951 WeakPolarHBondContact CE1-O 3.43Å; N867-I951 HydrophobicContact CB-CD1 4.18Å; N867-I951 HydrophobicContact CB-CG1 4.17Å; N867-I951 VanDerWaalsContact N-CG1 3.26Å; N867-I951 PolarHBondContact O-N 3.34Å
952N29.3Very low27.8Very low116 Ų116120.8 Ų120.862%0.6267%0.673SS**  cis-157.2-126.2-21.7-91.3-10.2000107.4
953N29.6Very low27.6Very low101 Ų101122 Ų12254%0.5468%0.679SS.*  cis-168.2133.7-5.9-147.786.3000114.6
954S27.6Very low27.4Very low86 Ų86123.6 Ų123.660%0.60169%0.687SS**  trans59.2156.8152.256.60000122
955N29.4Very low27.2Very low161 Ų161123.8 Ų123.886%0.86169%0.693SS**  cis-166.1173.2-21.7-99.7-11.6000110.6
956N29.1Very low27.1Very low164 Ų164128 Ų12888%0.87770%0.701SS**  trans-56.6149.5177.2-71-31.6000116.2
957M25.1Very low27.2Very low181 Ų181126.5 Ų126.589%0.89270%0.7SS**  trans-151170.4138.6-121.5-57.7171.700111.5
958S24.7Very low27.3Very low91 Ų91127.5 Ų127.564%0.63670%0.696SS**  trans-125.1166.3-172.964.70000112.6
959C23.5Very low27.3Very low112 Ų112124.3 Ų124.376%0.75769%0.692SS**  trans52.2111.2173.8680000119
960L22.7Very low27.2Very low146 Ų146125.8 Ų125.876%0.76471%0.707SS**  170.3128.3113.5-89.7162.3000110.5
961F25.2Very low27.1Very low177 Ų177127.4 Ų127.478%0.77671%0.711SS**  trans42.1139.6167.7-67.3-83.2000120.5
962P27.6Very low27.1Very low127 Ų127131 Ų13183%0.82573%0.731SS**  -131.3129.911634.9-27.5000113.9
963N23Very low27.1Very low134 Ų134132.5 Ų132.572%0.71773%0.732SS**  trans-61.2150.9141.4-81.6-49.5000108.9
964L23.6Very low26.9Very low155 Ų155137.6 Ų137.681%0.81275%0.75SS**  trans24.3125.4141.5-56.3164.5000116.9
965T26.8Very low26.8Very low132 Ų132137.8 Ų137.881%0.8175%0.751SS**  -156.6158.658.340.80000115.1
966Y24.6Very low26.5Very low212 Ų212139.6 Ų139.683%0.83175%0.747SS**  trans-68.6151.7158.5-91-101.7000111.9
967P31.4Very low26.3Very low124 Ų124139 Ų13981%0.80574%0.741SS**  trans-98.2106.9140.833-25.6000110.5
968S29Very low26.2Very low90 Ų90137.9 Ų137.963%0.62974%0.739SS**  trans-89.4177.1154.757.40000108.9
969L29.2Very low26.2Very low128 Ų128139.7 Ų139.767%0.6775%0.746SS**  cis-174172.433.8-165.355.4000110.5Q971L969-Q971 HydrophobicContact CD1-CG 3.86Å; L969-Q971 HydrophobicContact CD2-CG 4.3Å; L969-Q971 HydrophobicContact CG-CB 4.39Å; L969-Q971 HydrophobicContact CG-CG 3.81Å
970G28.9Very low26.1Very low67 Ų67140.1 Ų140.169%0.69174%0.74SS**  trans147.268.8170.800000111.4
971Q29.5Very low26.2Very low129 Ų129139.4 Ų139.460%0.60374%0.744SS**  51.7129.364.7-75.1-169.9-700112.4L969L969-Q971 HydrophobicContact CD1-CG 3.86Å; L969-Q971 HydrophobicContact CD2-CG 4.3Å; L969-Q971 HydrophobicContact CG-CB 4.39Å; L969-Q971 HydrophobicContact CG-CG 3.81Å
972D29.4Very low26Very low119 Ų119139.8 Ų139.864%0.63675%0.746SS**  cis-117.4172.934.3-79-23.3000115.1
973K28.9Very low25.8Very low147 Ų147142 Ų14264%0.63975%0.747SS**  cis-161.7124.7-22.1-104.9163.2177.488.20106.3
974F26Very low25.9Very low208 Ų208143.9 Ų143.991%0.91275%0.754SS**  -174.7135.1112.3-106-75.4000111.3
975S24.9Very low25.8Very low90 Ų90145 Ų14563%0.62976%0.761SS**  trans-98.5164.4-169.3-50.40000110.6
976Y23Very low25.7Very low198 Ų198141.7 Ų141.778%0.77675%0.753SS**  cis-169.9-171.4-1.7-141.1-112.2000110.9
977M25.1Very low25.7Very low151 Ų151139.4 Ų139.474%0.74475%0.753SS**  trans86115.5156.6-71.9-56.8170.700121.1
978N22.4Very low25.4Very low159 Ų159141.2 Ų141.285%0.8576%0.756SS**  trans-63.3144146.6-74.6-42.9000110.6
979T25.3Very low25.3Very low128 Ų128146 Ų14679%0.78577%0.765SS**  trans-158.2148.9151.4-17.50000112.7
980L21Very low25.1Very low122 Ų122145.7 Ų145.764%0.63977%0.769SS**  trans-56.1141.9164-7847.6000110.5F982L980-F982 HydrophobicContact CB-CB 3.95Å; L980-F982 HydrophobicContact CB-CD2 3.98Å; L980-F982 HydrophobicContact CB-CG 4.38Å; L980-F982 HydrophobicContact CD2-CB 4.26Å; L980-F982 HydrophobicContact CD2-CD2 3.67Å; L980-F982 HydrophobicContact CD2-CE2 4.18Å; L980-F982 HydrophobicContact CD2-CG 4.06Å; L980-F982 HydrophobicContact CG-CD2 4.06Å; L980-F982 PolarHBondContact O-N 3.44Å
981P24.6Very low24.8Very low131 Ų131149.9 Ų149.985%0.85177%0.774SS**  trans-75.946.815834.3-34.8000111.4M983P981-M983 VanDerWaalsContact C-N 3.3Å; P981-M983 PolarHBondContact O-N 3.16Å; P981-M983 VanDerWaalsContact O-N 3.1Å
982F21.3Very low24.5Very low185 Ų185151.3 Ų151.381%0.81179%0.786SS**  trans-81.178.4169.4-105.1-110.9000108.7L980L980-F982 HydrophobicContact CB-CB 3.95Å; L980-F982 HydrophobicContact CB-CD2 3.98Å; L980-F982 HydrophobicContact CB-CG 4.38Å; L980-F982 HydrophobicContact CD2-CB 4.26Å; L980-F982 HydrophobicContact CD2-CD2 3.67Å; L980-F982 HydrophobicContact CD2-CE2 4.18Å; L980-F982 HydrophobicContact CD2-CG 4.06Å; L980-F982 HydrophobicContact CG-CD2 4.06Å; L980-F982 PolarHBondContact O-N 3.44Å
983M24.8Very low24.2Very low173 Ų173154.1 Ų154.185%0.85280%0.798SS**  trans-97.3114.7171.2-80-167.6166.500111P981P981-M983 VanDerWaalsContact C-N 3.3Å; P981-M983 PolarHBondContact O-N 3.16Å; P981-M983 VanDerWaalsContact O-N 3.1Å
984M23.7Very low24.1Very low173 Ų173155.9 Ų155.985%0.85281%0.805SS**  trans48.883.5165.8-81.364.9-178.500116.5
985N22.4Very low24.1Very low179 Ų179152.4 Ų152.496%0.95780%0.796SS**  -113.6103.7127.6-154.31.3000107.1
986G24.3Very low24.3Very low62 Ų62154.4 Ų154.464%0.63980%0.796SS**  trans179.244.3-156.800000115.9
987I24.9Very low24.5Very low164 Ų164150 Ų15084%0.84178%0.782SS**  trans-112.2108.6161.2-63.3178.4000107.1
988N24.3Very low24.7Very low162 Ų162147.9 Ų147.987%0.86677%0.773SS**  trans-148.156.1170.8-142.6-9000113
989K27.2Very low25Very low190 Ų190144 Ų14483%0.82676%0.755SS**  trans-148.2137.1153.5-75.1-164.7-179.4-179.30107.6
990V24.5Very low25.2Very low123 Ų123141.2 Ų141.275%0.74574%0.735SS**  cis-150.1172.7-15.2107.60000107.1D992V990-D992 PolarHBondContact O-N 3.2Å
991L23.2Very low25.7Very low154 Ų154141.3 Ų141.381%0.80674%0.736SS**  trans-23.5128.9175.3-7464.8000115.4
992D23.4Very low26Very low160 Ų160139.9 Ų139.986%0.85673%0.729SS**  -145.1115.1112.9-137.9-14.4000110.9V990V990-D992 PolarHBondContact O-N 3.2Å
993M23.3Very low26.5Very low177 Ų177138.4 Ų138.487%0.87273%0.728SS**  trans-102.5109.2174.3-102.8-172.869.700109
994K26Very low26.7Very low184 Ų184136.3 Ų136.380%0.872%0.721SS**  trans-140.1108.1156-93-163.1167.9-164.20110.6
995N26.5Very low27Very low135 Ų135134.9 Ų134.972%0.72272%0.716SS**  trans-99.7153.8165.3-119.918.3000108.8
996Q28.3Very low27.2Very low132 Ų132130.9 Ų130.962%0.61770%0.702SS**  trans67.2149.4160.4-63.6166.7-84.400115.3
997E27.1Very low27.5Very low107 Ų107133.2 Ų133.250%0.570%0.704SS.*  cis-161.6175.2-7-123156.1-157.600109N284N284-E997 PolarHBondContact ND2-O 3.48Å
998I30.3Very low27.7Very low105 Ų105131.3 Ų131.354%0.53870%0.7SS.*  167.588.5110.7-80.7172.8000108.2E285 N286E285-I998 CarbonylContact C-O 3.57Å; E285-I998 CarbonylContact O-C 3.29Å; N286-I998 PolarHBondContact N-O 3.44Å
999T29.1Very low27.8Very low78 Ų78128.1 Ų128.148%0.47969%0.691SS.*  23.9164.813061.10000122N286N286-T999 WeakPolarHBondContact CB-O 3.41Å
1000D29.7Very low27.8Very low70 Ų70125 Ų12537%0.37469%0.687SS.*  trans144.5156.6134.7-76.64.1000111.1N286 T287N286-D1000 HydrophobicContact CB-CB 4.46Å; N286-D1000 PolarHBondContact ND2-O 3.16Å; T287-D1000 HydrophobicContact CG2-CB 3.65Å; T287-D1000 WeakPolarHBondContact CG2-O 3.13Å
1001L31.4Very low28Very low124 Ų124124.8 Ų124.865%0.64969%0.687SS**  cis-158.5134.3-24.3-94163.6000103.1
1002S30.6Very low28.2Very low100 Ų100125.1 Ų125.170%0.69969%0.688SS**  93.9164.351.3-67.70000114.3
1003L32.3Very low28.4Very low154 Ų154125.2 Ų125.281%0.80669%0.688SS**  trans127.7140.2152.6-66.9170.4000114.6
1004D28.7Very low28.6Very low129 Ų129123.3 Ų123.369%0.6968%0.681SS**  cis-171.1-177.5-28.1-149-12.2000112.5
1005L29Very low28.7Very low144 Ų144120.4 Ų120.475%0.75468%0.675SS**  trans80.7124.9160.4-53.9124.8000116.9
1006S27.7Very low28.7Very low95 Ų95120.5 Ų120.566%0.66468%0.675SS**  cis105.7148.525.677.90000112.9
1007T30.5Very low28.8Very low111 Ų111121.1 Ų121.168%0.68168%0.681SS**  cis-158.9155.834.248.10000114.5
1008T28.2Very low28.9Very low123 Ų123122.3 Ų122.376%0.75569%0.691SS**  trans43.2157.1141.659.50000124.7
1009S26.7Very low28.9Very low96 Ų96123.7 Ų123.767%0.67170%0.7SS**  cis-174.3154.3-20.1-86.80000113.9
1010T28Very low29Very low123 Ų123127.1 Ų127.176%0.75572%0.715SS**  trans55.8111.8145.353.20000126
1011T27.6Very low28.9Very low120 Ų120127.1 Ų127.174%0.73673%0.731SS**  45119.6129.8540000125.9
1012I28.4Very low28.8Very low161 Ų161127.5 Ų127.583%0.82674%0.738SS**  44.8114.7126.9-52.4172.2000120.1
1013N26.7Very low28.6Very low161 Ų161128.4 Ų128.486%0.86174%0.74SS**  -158.2171.5116.7-145.1-13.5000112.2
1014N27.1Very low28.2Very low137 Ų137128.8 Ų128.873%0.73374%0.74SS**  trans-109.5158.7-166.4-108.9-2.7000115.5
1015N28.9Very low28.1Very low124 Ų124127.9 Ų127.966%0.66374%0.738SS**  trans78.4109.9151.7-64.3-1.4000122.6
1016N27.5Very low28Very low137 Ų137125.9 Ų125.973%0.73373%0.732SS**  98.7151.3118.4-69.87.7000123.1
1017I30.4Very low27.9Very low145 Ų145128 Ų12874%0.74474%0.736SS**  trans75.692.5168.6-63152.4000113.9
1018D28.9Very low27.8Very low132 Ų132126.1 Ų126.171%0.70673%0.727SS**  83.8125.262.1-66.4-40.6000113.6
1019N30.3Very low27.8Very low134 Ų134126.3 Ų126.372%0.71772%0.724SS**  178.4163.989.7-117.1-54.6000116.5
1020N30.9Very low27.8Very low150 Ų150127 Ų12780%0.80272%0.72SS**  trans66.1132.4163.3-56.5-30.1000118.5
1021G28Very low27.8Very low69 Ų69126.9 Ų126.971%0.71172%0.715SS**  cis-163.5146.5-7.400000109.3
1022V28.5Very low27.8Very low132 Ų132126.9 Ų126.980%0.871%0.711SS**  cis88.892.844.7176.40000113.3
1023T26.3Very low27.8Very low120 Ų120125.5 Ų125.574%0.73670%0.703SS**  trans68.2120.4146.955.60000123.5
1024M23.9Very low28Very low162 Ų162125.6 Ų125.680%0.79870%0.704SS**  84124.5123.9-67-75.7-92.200121.8
1025V25.7Very low28.1Very low109 Ų109122.1 Ų122.166%0.66170%0.701SS**  trans75128.8130.2169.50000118.2
1026T26.8Very low28Very low102 Ų102123 Ų12363%0.62671%0.705SS**  cis-171.2168.6-12.334.90000109.9
1027N26.5Very low28.1Very low140 Ų140122 Ų12275%0.74970%0.7SS**  trans77.8153.4136.7-82.15.4000119
1028S28.9Very low27.8Very low71 Ų71124 Ų12450%0.49770%0.699SS.*  cis-166.9156.56.5-122.30000115.2
1029N26.9Very low27.7Very low128 Ų128125.3 Ų125.368%0.68470%0.699SS**  trans73.2155.1131.8-66.912.8000120.3
1030N27.8Very low27.6Very low111 Ų111127.4 Ų127.459%0.59470%0.698SS**  cis-166.9167.7-5.7-117.63.4000115.2
1031N28.7Very low27.4Very low119 Ų119125.5 Ų125.564%0.63669%0.688SS**  trans73.5150.3141.3-72.44.5000119.6
1032N26.6Very low27.5Very low121 Ų121128 Ų12865%0.64769%0.685SS**  cis-163.91665.1-127.7-9.4000116.6
1033I28.9Very low27.5Very low131 Ų131127.8 Ų127.867%0.67268%0.679SS**  trans85140140.6-77.7162.9000122.7
1034N30.6Very low27.6Very low164 Ų164126.3 Ų126.388%0.87767%0.67SS**  trans68.6144.2172.7-64.9-20.9000117.9
1035G28.8Very low27.8Very low64 Ų64125 Ų12566%0.6667%0.667SS**  cis-176.6137.1-6.800000109.9
1036N27.7Very low28Very low142 Ų142126.3 Ų126.376%0.75967%0.67SS**  81134.292.9-107.457.8000116.8
1037D28.4Very low27.9Very low117 Ų117126.2 Ų126.263%0.62667%0.672SS**  trans69.4153.8147.8-54.6-22.7000120
1038Y23.9Very low27.7Very low186 Ų186126.4 Ų126.473%0.72967%0.673SS**  cis-172.2174.7-29.7-117.1-55.3000109.4
1039K27.9Very low27.5Very low160 Ų160131.4 Ų131.470%0.69669%0.686SS**  trans76.1142.3149.5-78.9155.7-179.5172.70119.5
1040Y27.5Very low27.5Very low177 Ų177132.3 Ų132.369%0.69469%0.691SS**  cis-168.4152.7-12.2-127.4-160.6000112.7
1041N26.9Very low27.4Very low111 Ų111134.2 Ų134.259%0.59470%0.7SS**  trans40.1158.5130.3-61.325.3000121.9
1042N30.2Very low27.3Very low121 Ų121136.8 Ų136.865%0.64771%0.712SS**  cis-164.5178.8-12.1-109.645.9000105.9
1043N28.2Very low27.4Very low128 Ų128139.5 Ų139.568%0.68472%0.718SS**  cis-137.1159.54.9-121.558.2000105
1044T28.3Very low27.2Very low89 Ų89139.7 Ų139.755%0.54672%0.72SS.*  cis81.9118.624.471.70000117.7
1045N28.8Very low26.9Very low135 Ų135138.3 Ų138.372%0.72271%0.711SS**  trans82.3149.3150.3-64.731.9000118.7
1046D28.6Very low26.8Very low135 Ų135143.9 Ų143.972%0.72272%0.717SS**  cis-152.8-173.7-4.2-129.9-43.9000114.9
1047C25Very low26.7Very low101 Ų101142.2 Ų142.268%0.68271%0.712SS**  trans-99.3152.5-161.7-480000117.7
1048N23.9Very low26.7Very low144 Ų144142.8 Ų142.877%0.7772%0.716SS**  92.2137.8128.7-96.8-9000125.5
1049F24.5Very low27.1Very low175 Ų175139.6 Ų139.677%0.76871%0.711SS**  trans87.2142.5147.7-92-76.4000125
1050D25.3Very low27.3Very low147 Ų147136.6 Ų136.679%0.78671%0.706SS**  trans82153.8162.1-75.4-30.2000123.6
1051I26.7Very low27.6Very low152 Ų152136.6 Ų136.678%0.77971%0.71SS**  trans-126.1133.2-155.4-61.9166.7000109.9
1052I26.5Very low27.7Very low172 Ų172137.7 Ų137.788%0.88272%0.716SS**  trans-162.7166.3144.1-109.6156.4000112.2
1053K28.2Very low27.7Very low178 Ų178136.7 Ų136.777%0.77472%0.717SS**  trans-83.8155.7-161.9-61.9173.3176.6169.90115.5
1054N24.9Very low27.7Very low135 Ų135137.1 Ų137.172%0.72272%0.718SS**  trans88.4129.6132.6-85.82.1000122.4
1055I25.3Very low27.7Very low136 Ų136138.9 Ų138.970%0.69772%0.724SS**  trans92.1110.8133-73.2169.9000119.4
1056K25.2Very low27.7Very low180 Ų180138.3 Ų138.378%0.78372%0.72SS**  trans88.5112.7142.8-83.5179.3178.2-175.50122.6
1057T26.4Very low27.5Very low107 Ų107139 Ų13966%0.65672%0.721SS**  83.1121.2122.954.50000122.4
1058N27.6Very low27.5Very low130 Ų130144.3 Ų144.370%0.69573%0.727SS**  trans81.4147.1131.3-70.342.3000118
1059D32.5Very low27.7Very low119 Ų119141.3 Ų141.364%0.63672%0.717SS**  cis-155.5163.47.6-138.2-36.9000115.9
1060T32.7Very low27.7Very low97 Ų97139.2 Ų139.260%0.59571%0.714SS**  trans66.7150.8156.965.10000120.6
1061K33.6Very low27.7Very low176 Ų176139.2 Ų139.277%0.76571%0.714SS**  cis-166.7150.9-17-105.3167.4-1731580105.4
1062N29Very low27.7Very low135 Ų135140.5 Ų140.572%0.72272%0.717SS**  cis-142.5175.111.3-81.2-30.9000106.2
1063C29.7Very low27.7Very low99 Ų99139.3 Ų139.367%0.66971%0.711SS**  cis-172.2174.4-19.9-94.70000105.3
1064I28.7Very low27.6Very low137 Ų137138.3 Ų138.370%0.70371%0.711SS**  cis-143.7130.23.2-130.9154.2000106
1065L29.5Very low27.6Very low127 Ų127138.4 Ų138.467%0.66571%0.712SS**  52.2129.1100-48-173.2000115.2
1066D27.6Very low27.6Very low122 Ų122137 Ų13765%0.65271%0.706SS**  cis-157150.3-3.9-98.3-31.8000108.7
1067M25.7Very low27.7Very low150 Ų150135.4 Ų135.474%0.73970%0.699SS**  71.1140.559.3-63.4-73.6-178.700115
1068R25.1Very low27.6Very low212 Ų212139.5 Ų139.580%0.870%0.704SS**  cis-170.8151.5-23.2-156.3-170-176.7159.61111.9
1069S26.5Very low27.6Very low82 Ų82138.4 Ų138.457%0.57371%0.706SS**  trans73124.9146.3-88.50000125.9
1070N25.5Very low27.3Very low131 Ų131136.8 Ų136.870%0.70170%0.704SS**  75.8121.1126.8-60.218.8000124.4
1071N24.8Very low27.2Very low147 Ų147140.1 Ų140.179%0.78672%0.716SS**  trans56.8107.3137.7-59.9-3.6000122
1072Q27Very low26.8Very low179 Ų179136.6 Ų136.684%0.83670%0.703SS**  -178.1159.3105.2-98.9-178.7900114
1073L27.1Very low26.8Very low146 Ų146136.7 Ų136.776%0.76470%0.699SS**  trans38.1122.8158.5-93.561.7000123.3
1074M25.8Very low26.8Very low157 Ų157139.2 Ų139.277%0.77370%0.701SS**  40.3125129.1-65.4-65.8-176.500122.2
1075N23.6Very low26.6Very low138 Ų138138.3 Ų138.374%0.73870%0.695SS**  trans45141134.4-57.23.3000120.4
1076D27.1Very low26.5Very low107 Ų107139.5 Ų139.557%0.57270%0.701SS**  cis-161.8155.419.4-140.4-7.1000113.3
1077K25.8Very low26.5Very low146 Ų146141.1 Ų141.164%0.63571%0.709SS**  trans48.2130.8145.3-78.4165-164.9130.70125.7
1078Y25.5Very low26.5Very low192 Ų192139.9 Ų139.975%0.75372%0.715SS**  trans60.2153.2143.4-64.7-61.9000118.4
1079S27.9Very low26.6Very low108 Ų108135.1 Ų135.176%0.75571%0.714SS**  cis-150.3136.936.4-167.20000109.8
1080S26.2Very low26.5Very low84 Ų84139.5 Ų139.559%0.58773%0.731SS**  77.4121.171.7-147.10000116.9
1081I29.9Very low26.7Very low167 Ų167144 Ų14486%0.85674%0.739SS**  trans-171.6117.8151.9-92.1152.6000103.1
1082E25.7Very low26.7Very low103 Ų103142.9 Ų142.948%0.48174%0.743SS.*  cis104.7151.714.5-154.9-164.4-96.900113.9
1083Q28.8Very low26.6Very low137 Ų137138.2 Ų138.264%0.6473%0.73SS**  trans76.5136.1173.3-54-170.222.700114.4
1084Q28.9Very low26.7Very low152 Ų152137.8 Ų137.871%0.7173%0.734SS**  cis-157.3168.90.7-106.5161.535.500106.1
1085M24.4Very low26.7Very low117 Ų117136.1 Ų136.158%0.57673%0.728SS**  cis177.1143.5-23.9-108.5-171.1-172.900106.3D1157M1085-D1157 WeakPolarHBondContact CE-OD2 3.23Å
1086I28Very low27Very low153 Ų153140.9 Ų140.979%0.78574%0.737SS**  trans64.5147.9141.8-60.2172.9000120.9
1087N27.8Very low26.9Very low156 Ų156140.9 Ų140.983%0.83474%0.742SS**  trans-68145.5179-61.9-45.7000114.6
1088S25.4Very low27Very low124 Ų124140 Ų14087%0.86775%0.748SS**  -162.7156.8123.249.30000111
1089S27.4Very low26.9Very low111 Ų111135.5 Ų135.578%0.77675%0.745SS**  trans-97.8133.7179.4490000111.4
1090L25.1Very low27Very low175 Ų175136.9 Ų136.992%0.91675%0.749SS**  trans-172.5157.3136.3-104.8163.6000112.5
1091Y28Very low27Very low224 Ų224141.6 Ų141.688%0.87876%0.759SS**  trans-75.6145.6176.6-90.8-115.3000112
1092S25.7Very low26.9Very low125 Ų125144.5 Ų144.587%0.87476%0.759SS**  trans-145.7144.5137.5-167.50000110.9
1093S24.8Very low27Very low80 Ų80148.8 Ų148.856%0.55978%0.776SS**  trans-117.6132.1-170.259.10000112.3
1094T29.8Very low26.9Very low138 Ų138152.9 Ų152.985%0.84779%0.786SS**  trans-125.8104.8148.847.30000106.9
1095N25.2Very low26.9Very low121 Ų121151 Ų15165%0.64779%0.789SS**  51.987.175.6-71.8-21.4000113.4
1096Y30.7Very low27.1Very low238 Ų238155.1 Ų155.193%0.93380%0.798SS**  -127.9151.4125.5-104.4-82.2000109.8
1097T23.6Very low27.1Very low108 Ų108153.8 Ų153.866%0.66380%0.799SS**  trans-124-173.5-163.551.80000111.5
1098V28.7Very low27.3Very low126 Ų126153 Ų15376%0.76480%0.8SS**  trans7698.5173.1-170.60000113
1099S23.6Very low27.3Very low98 Ų98156.6 Ų156.669%0.68580%0.796SS**  66.5116.961.1-169.40000114.5
1100T29.8Very low27.4Very low138 Ų138159.2 Ų159.285%0.84780%0.8SS**  -173.7162.3111.124.40000115
1101K24.9Very low27.5Very low182 Ų182154.8 Ų154.879%0.79178%0.783SS**  trans-59.1154.6173.6-68.1160.7174.1162.20114.5
1102R27.8Very low28.1Very low229 Ų229149.8 Ų149.886%0.86478%0.778SS**  trans89.9146.9137.3-85.1164176.6-176.7-1.6121
1103K29.2Very low28.3Very low192 Ų192151.3 Ų151.384%0.83577%0.771SS**  trans75.2112.9160.2-72.1175.5177.3-1770117.7S1105K1103-S1105 PolarHBondContact O-N 3.28Å
1104R26.2Very low28.7Very low224 Ų224154.9 Ų154.985%0.84578%0.777SS**  trans-64.3118.2145.8-70.7179.7174.6179.6-3.5108.9
1105S29.5Very low28.5Very low111 Ų111156 Ų15678%0.77677%0.773SS**  trans-110.6153.2144.536.10000107.9K1103K1103-S1105 PolarHBondContact O-N 3.28Å
1106R28.9Very low28.7Very low205 Ų205155.8 Ų155.877%0.77477%0.771SS**  trans-71147.1-164.6-71.4172.4166.6166.1-9.4112.6
1107P27.9Very low28.6Very low124 Ų124152.7 Ų152.781%0.80576%0.762SS**  trans-70.4150.4164.132.6-34.5000110.3
1108V30.8Very low28.8Very low141 Ų141158.3 Ų158.386%0.85577%0.771SS**  trans-125.3131.9162.1175.90000106.8
1109Y25.1Very low28.7Very low198 Ų198157.4 Ų157.478%0.77677%0.77SS**  trans-84.7144.3179.8-124.1-96.9000110.4
1110I29.8Very low28.8Very low167 Ų167157.5 Ų157.586%0.85677%0.771SS**  trans-163.8146.6138.1-98.3149.4000106.5
1111S27.8Very low28.7Very low81 Ų81157.4 Ų157.457%0.56676%0.764SS**  trans-115.1-152.2-171-53.60000111.2
1112P39.8Very low28.8Very low119 Ų119155.6 Ų155.677%0.77376%0.758SS**  -121.2180-118.737.6-18.6000114.5
1113E29.7Very low28.8Very low157 Ų157152 Ų15273%0.73475%0.749SS**  trans154.8151.1160.2-90.9-173.4167.900107.4
1114K34.3Very low28.7Very low155 Ų155148.5 Ų148.567%0.67474%0.74SS**  cis-142.5132.9-14.8-94.7145.1177.5151.90104.9
1115E25Very low29Very low163 Ų163146.9 Ų146.976%0.76274%0.741SS**  75.6140.272.9-143.5-163.2-138.300115.8
1116L29.5Very low29Very low116 Ų116144.8 Ų144.861%0.60773%0.727SS**  trans100.599.8156.7-56167.5000122.4
1117K29.4Very low29.1Very low173 Ų173143.4 Ų143.475%0.75273%0.727SS**  72.3107.8123.1-68.2174.2-174.4160.60123.5
1118R26.7Very low29.4Very low226 Ų226144.9 Ų144.985%0.85373%0.728SS**  71.5145.7116.3-73-172.2169.7-167.8-3.2123
1119S27Very low29.5Very low107 Ų107141.4 Ų141.475%0.74872%0.721SS**  trans69.2148.2145.845.40000119.4
1120S26.2Very low29.7Very low99 Ų99141.3 Ų141.369%0.69273%0.727SS**  cis-173.7174.5-15.3-92.20000108.8
1121I27.8Very low29.7Very low136 Ų136139.7 Ų139.770%0.69772%0.72SS**  trans72.7109.6153.1-75.9155.4000114.8
1122E26.2Very low29.7Very low145 Ų145141.7 Ų141.768%0.67872%0.722SS**  82.7155.679-78.5169.8-158.700113
1123F27.3Very low29.2Very low152 Ų152143.9 Ų143.967%0.66772%0.72SS**  cis-161.5167.5-2.2-124.4-38.2000112.4
1124N28.1Very low29.2Very low120 Ų120142.9 Ų142.964%0.64272%0.717SS**  trans46.5140.2141.2-65.5-25.3000123.9
1125Q32Very low29.1Very low189 Ų189143.5 Ų143.588%0.88372%0.719SS**  -173157.7108.5-101.4175.222.500110.9
1126S29.5Very low29.3Very low68 Ų68146.9 Ų146.948%0.47673%0.725SS.*  cis-158.5170.22.443.80000112.9
1127F31.5Very low29.2Very low176 Ų176150.7 Ų150.777%0.77273%0.733SS**  trans76.4151170.8-41.9-61.2000116
1128D33.4Very low29.3Very low154 Ų154150 Ų15082%0.82473%0.732SS**  cis-165.7167.6-24.2-95.1-18.3000106.4
1129G32.5Very low29.5Very low68 Ų68144.4 Ų144.470%0.70172%0.723SS**  cis-176.2-172.92.500000109.6
1130E29.8Very low29.4Very low196 Ų196146.2 Ų146.292%0.91672%0.72SS**  trans-121.5151-168.7-59.8-173.5128.500116.5
1131D30.5Very low29.6Very low133 Ų133148.9 Ų148.971%0.71172%0.719SS**  138.8152.8111.5-156.114.4000117.6
1132M27.3Very low29.7Very low123 Ų123148 Ų14861%0.60672%0.72SS**  trans74.7119.7158.5-70.6-73.2151.500124.4
1133K29.9Very low29.8Very low166 Ų166147.7 Ų147.772%0.72272%0.723SS**  91.2122128.5-77.9166.4-177.8143.40124.2
1134M28.6Very low29.7Very low135 Ų135148 Ų14867%0.66573%0.731SS**  trans91.6119.7130.5-83.3-161.7-7000123.3
1135K32.1Very low29.8Very low169 Ų169146.9 Ų146.974%0.73573%0.733SS**  trans74.5149.9144.4-65.8163.9179.8161.10116.2
1136R30.5Very low29.7Very low234 Ų234144.8 Ų144.888%0.88373%0.726SS**  cis-147.2166.710.8-141.6177-158.21500.2112.4
1137Y27.1Very low29.8Very low195 Ų195148.1 Ų148.177%0.76574%0.738SS**  trans-104.2161.5179.9-94-97.4000112.9
1138H30.9Very low29.8Very low158 Ų158145.8 Ų145.873%0.73173%0.734SS**  trans66155149.5-66.5-39.1000118.5
1139T30.5Very low29.8Very low110 Ų110145.6 Ų145.668%0.67573%0.728SS**  cis-165.2148.6-921.90000112.1
1140E26.8Very low29.7Very low145 Ų145148 Ų14868%0.67873%0.725SS**  trans61.1131.3140.5-71.1-165.4151.300125.6
1141K29.8Very low29.7Very low154 Ų154146 Ų14667%0.6772%0.72SS**  94.4117129.4-79.9168-174.4149.50123.4
1142T28.6Very low29.6Very low118 Ų118144 Ų14472%0.72472%0.716SS**  trans84.1129.9132.850.20000123.7
1143N29Very low29.6Very low138 Ų138144.9 Ų144.974%0.73872%0.724SS**  trans80.1101.9145.1-61.6-5.7000121.8
1144L25.8Very low29.4Very low158 Ų158142.1 Ų142.183%0.82773%0.726SS**  41.7108.7121.5-69.2157.4000119.3
1145S29.8Very low29.4Very low98 Ų98141.6 Ų141.669%0.68573%0.734SS**  167.6130105.3-72.30000114.8
1146I29Very low29.2Very low144 Ų144141.2 Ų141.274%0.73874%0.738SS**  trans47.5103.3135.6-52.3167.5000118.3
1147N32Very low29.3Very low138 Ų138135.3 Ų135.374%0.73872%0.724SS**  -176.2130.894.4-120.5-28.8000116
1148N31.9Very low29.5Very low128 Ų128129.6 Ų129.668%0.68471%0.707SS**  trans23.4129.4151.8-71.20.9000125.9
1149H32.8Very low29.3Very low150 Ų150128.9 Ų128.969%0.69470%0.702SS**  96.8110.4129.7-80.5-47.9000123.6
1150N31.6Very low29.2Very low118 Ų118131.8 Ų131.863%0.63171%0.705SS**  trans85.8111.4130.3-61.1-10.5000121.7
1151N29.6Very low29.3Very low153 Ų153130.8 Ų130.882%0.81871%0.714SS**  trans68.6141134.1-62.33.4000119
1152S27.9Very low29.3Very low91 Ų91128.7 Ų128.764%0.63672%0.717SS**  cis-153.4172.62.253.40000113.7
1153D26.8Very low28.9Very low143 Ų143134.6 Ų134.677%0.76573%0.726SS**  trans82.8134.9150.9-56.4-47.2000123.7
1154S27.4Very low28.8Very low108 Ų108137.1 Ų137.176%0.75573%0.731SS**  trans86.591.9152.567.90000122.9
1155C26.7Very low28.7Very low124 Ų124135.9 Ų135.984%0.83872%0.724SS**  trans70.5167.1130.3-660000123.2
1156I29.4Very low28.4Very low160 Ų160139.8 Ų139.882%0.82173%0.728SS**  trans87.7134.4172.1-59172000117.2
1157D32.7Very low28.1Very low110 Ų110139.9 Ų139.959%0.58873%0.726SS**  cis-166-177.5-45.8-130.5-62000112.9M1085M1085-D1157 WeakPolarHBondContact CE-OD2 3.23Å
1158D30.6Very low27.7Very low76 Ų76139.2 Ų139.241%0.40672%0.722SS.*  trans82.6100.6145.6-11243.3000124.7
1159K27.8Very low27.4Very low143 Ų143138.9 Ų138.962%0.62273%0.725SS**  trans54.9110.7130.4-61.5-176.6-169.578.50121.8
1160K27.7Very low27.2Very low171 Ų171139.8 Ų139.874%0.74373%0.729SS**  173.8148.3100.7-99.9170.9-176.7169.30117.1
1161S28.5Very low27Very low124 Ų124140.2 Ų140.287%0.86773%0.731SS**  trans94.7161.7145.482.50000121.9
1162C29.1Very low26.8Very low110 Ų110139.4 Ų139.474%0.74373%0.725SS**  trans-48.8142-162.3-59.80000121.3K1164C1162-K1164 PolarHBondContact O-N 2.98Å
1163W22.1Very low26.8Very low241 Ų241139.2 Ų139.291%0.91372%0.724SS**  19.995.1108.2-74.480.9000118.2
1164K25.2Very low26.8Very low191 Ų191140 Ų14083%0.8372%0.724SS**  trans-178.3132.3141.2-103.7171.3-178.7-1760106.7C1162C1162-K1164 PolarHBondContact O-N 2.98Å
1165I23.7Very low27Very low132 Ų132142.7 Ų142.768%0.67772%0.724SS**  cis61.3107.247.5-57.3-177.6000112.7
1166K23.7Very low27.2Very low180 Ų180141.9 Ų141.978%0.78372%0.715SS**  trans67.4145.1171.8-66.2176.9-179.3175.90113.7
1167Q23.7Very low27.3Very low146 Ų146141.8 Ų141.868%0.68271%0.714SS**  cis-162.1165.54.4-130169.6-10.100112.3
1168N22.7Very low27.3Very low124 Ų124142.1 Ų142.166%0.66371%0.712SS**  trans58.2123.8146.4-72.30.1000123.1
1169V25.3Very low27.4Very low122 Ų122146.2 Ų146.274%0.73973%0.729SS**  43.7113.3117.5-172.50000118.7
1170Q29Very low27.7Very low168 Ų168146.1 Ų146.179%0.78573%0.73SS**  -170.6131.4121.4-107.2165.1-5.700113.6
1171N27.6Very low28Very low128 Ų128144.4 Ų144.468%0.68473%0.729SS**  trans59.1149.4135-67.819.5000122.1
1172I25.2Very low28.3Very low135 Ų135142.9 Ų142.969%0.69272%0.719SS**  cis-171.5158.3-25.7-131.5165.9000108.3
1173S27.9Very low28.7Very low88 Ų88144.4 Ų144.462%0.61572%0.72SS**  trans63.8158.9164.8-68.40000119.8
1174E27.3Very low29.4Very low160 Ų160140.4 Ų140.475%0.74871%0.711SS**  cis-175.5-173.9-37.7-117.8160.3135.400111
1175H30.7Very low29.8Very low164 Ų164135.6 Ų135.676%0.75969%0.692SS**  trans74.2153.3170.2-71-79000116.9
1176V30.6Very low30.4Very low106 Ų106138 Ų13864%0.64270%0.699SS**  cis-134.1179.613.1-1330000111.9E1178V1176-E1178 WeakPolarHBondContact CG1-OE2 3.39Å
1177I33.1Very low30.9Very low158 Ų158137.4 Ų137.481%0.8169%0.692SS**  trans92.8124.1175.5-53.9173.6000115.6
1178E32.5Very low31.3Very low117 Ų117137 Ų13755%0.54769%0.694SS.*  cis-169.6164.8-47.7-122.266.3-78.700110.3V1176V1176-E1178 WeakPolarHBondContact CG1-OE2 3.39Å
1179E31.8Very low31.6Very low162 Ų162136.1 Ų136.176%0.75769%0.693SS**  trans64.2146.7157.1-72.2171.1-16900119.5
1180H35.2Very low32Very low141 Ų141137.1 Ų137.165%0.65369%0.693SS**  cis-151.5155.13.6-121.1-64.3000110.8
1181D33.4Very low32Very low136 Ų136134.8 Ų134.873%0.72769%0.686SS**  trans7.2157149-61.5-36.3000122.7
1182S35.1Very low32.2Very low92 Ų92136.5 Ų136.564%0.64369%0.69SS**  cis-164.2168.6-10.852.20000108.3
1183D37.4Very low32.3Very low142 Ų142135 Ų13576%0.75969%0.691SS**  -173143.275.1-93.5-18.7000114.3
1184E35.7Very low32.4Very low157 Ų157135.8 Ų135.873%0.73470%0.697SS**  trans90.7147.5138.2-76.3-71.8-14400128.1
1185E34.3Very low32.4Very low90 Ų90133 Ų13342%0.42170%0.695SS.*  trans-36.1149.9-176.8-93.3175.7-165.200119.3R1187E1185-R1187 VanDerWaalsContact CD-CD 3.43Å; E1185-R1187 HydrophobicContact CG-CG 3.86Å; E1185-R1187 WeakPolarHBondContact OE1-CD 3.36Å; E1185-R1187 IonicContact OE1-CZ 3.9Å; E1185-R1187 IonicContact OE1-NE 3.56Å; E1185-R1187 IonicContact OE1-NH1 2.79Å; E1185-R1187 PolarHBondContact OE1-NH1 3.21Å
1186H36.5Very low32Very low181 Ų181130.8 Ų130.884%0.83870%0.696SS**  -127.5150.150.8-110.8-78000118.3
1187R33.2Very low31.8Very low168 Ų168130.5 Ų130.563%0.63470%0.699SS**  trans-89.9144.7-169-78.1155.673.9-176.23.6114E1185E1185-R1187 VanDerWaalsContact CD-CD 3.43Å; E1185-R1187 HydrophobicContact CG-CG 3.86Å; E1185-R1187 WeakPolarHBondContact OE1-CD 3.36Å; E1185-R1187 IonicContact OE1-CZ 3.9Å; E1185-R1187 IonicContact OE1-NE 3.56Å; E1185-R1187 IonicContact OE1-NH1 2.79Å; E1185-R1187 PolarHBondContact OE1-NH1 3.21Å
1188L32.2Very low31.4Very low138 Ų138128.1 Ų128.172%0.72370%0.697SS**  60.6154.392.4-45.4177000114.4
1189T30.5Very low31Very low106 Ų106128.3 Ų128.365%0.6571%0.711SS**  cis-169.5176.33.53.40000111.4
1190I32.4Very low30.9Very low143 Ų143125.5 Ų125.573%0.73371%0.709SS**  trans75.8147141.2-81.3157.2000118.5
1191N30.1Very low30.7Very low119 Ų119124.6 Ų124.664%0.63672%0.719SS**  cis-175150.7-39.6-128.6-20.9000109.4
1192Q32.1Very low30.5Very low164 Ų164123.1 Ų123.177%0.76672%0.719SS**  trans65154.4154.9-63.9164.238.600117.4
1193S27.6Very low30.3Very low102 Ų102124 Ų12471%0.71373%0.725SS**  cis-164.5174.3-17.556.20000111.6
1194S29.6Very low30.1Very low106 Ų106123 Ų12374%0.74173%0.729SS**  trans83.8117.9158.277.80000122.3
1195S26.2Very low29.7Very low100 Ų100123.7 Ų123.770%0.69973%0.734SS**  trans41121138.456.10000125.4
1196C22.2Very low29.3Very low118 Ų118123.9 Ų123.980%0.79775%0.746SS**  84.2149.9128.585.50000123.8
1197S26.1Very low28.9Very low101 Ų101122.8 Ų122.871%0.70675%0.745SS**  trans85.671.1151.4-51.50000122.2
1198S25.1Very low28.7Very low107 Ų107120.6 Ų120.675%0.74875%0.751SS**  55.7127.4128.759.40000124.2
1199S25.6Very low28.7Very low122 Ų122124.3 Ų124.385%0.85376%0.755SS**  trans69.8137.2159.670.90000117.3
1200S29.1Very low28.7Very low102 Ų102126.9 Ų126.971%0.71377%0.765SS**  cis-156.8152.326.557.20000114.4
1201S30.8Very low28.7Very low122 Ų122126.2 Ų126.285%0.85377%0.768SS**  trans61.2142.4164.9680000118.7
1202S29.5Very low28.9Very low106 Ų106128.3 Ų128.374%0.74177%0.771SS**  cis-145.7150.112.157.50000114.5
1203S30.4Very low29.1Very low109 Ų109128.3 Ų128.376%0.76277%0.774SS**  trans65135.6150.7-58.50000123.1
1204S34.1Very low29.4Very low121 Ų121132.9 Ų132.985%0.84678%0.784SS**  trans61.8100.5158.835.50000118.7
1205M26.7Very low29.8Very low172 Ų172132.2 Ų132.285%0.84778%0.779SS**  trans-100.9159.1169.3-68.4176.459.600112.8
1206S26.3Very low30.4Very low95 Ų95137.8 Ų137.866%0.66479%0.79SS**  trans68.7141.7141.167.40000120.9
1207L28Very low31.3Very low157 Ų157135 Ų13582%0.82277%0.772SS**  trans64.4162.6175.7-77.969.8000115.2
1208T28.5Very low32.1Very low122 Ų122137.5 Ų137.575%0.74878%0.778SS**  trans66138.5-168.32.10000113.2
1209R31.3Very low33.5Very low217 Ų217138.6 Ų138.682%0.81978%0.775SS**SBendcis-144.257.58.8-164-178.7-163.9107.7-0.4113.1
1210N30.9Very low35.2Very low159 Ų159138.7 Ų138.785%0.8577%0.771SS**  trans-113.264.2163.7-102.3-11.3000110.7F1212N1210-F1212 PolarHBondContact O-N 3.05Å
1211T33.5Very low37.2Very low129 Ų129138.2 Ų138.279%0.79176%0.763SS**  trans-82.244.5177.9-38.80000111.1
1212F34.1Very low39.5Very low163 Ų163135.7 Ų135.772%0.71574%0.743SS**  trans-145.3149.1-171.9-134.9-114.9000110.7N1210 Q1214N1210-F1212 PolarHBondContact O-N 3.05Å; F1212-Q1214 PolarHBondContact O-N 3.02Å
1213M36.3Very low42Very low165 Ų165140.5 Ų140.581%0.81375%0.745SS**SBendtrans66.715.7176.5-50.7-47.5-163.900119.2
1214Q33.2Very low44.6Very low198 Ų198141.5 Ų141.593%0.92574%0.742SS**  trans-126.272.2152.7-75.9-1596.600112.8F1212F1212-Q1214 PolarHBondContact O-N 3.02Å
1215S38.4Very low47.1Very low91 Ų91140.4 Ų140.464%0.63672%0.723SS**  trans-139.9107.7142.2800000110.3S1217S1215-S1217 PolarHBondContact O-N 3.43Å; S1215-S1217 VanDerWaalsContact O-N 3.09Å; S1215-S1217 PolarHBondContact OG-OG 3.37Å
1216K38.3Very low49.9Very low217 Ų217135.8 Ų135.894%0.94370%0.702SS**  trans-78.367.6152.4-80.3-173.7175.3179.50107.2N1218K1216-N1218 PolarHBondContact O-N 3.36Å
1217S41.1Very low52.9Low59 Ų59134.4 Ų134.441%0.41369%0.692SS.*  trans-72111.2172.137.70000107.9S1215 N1219S1215-S1217 PolarHBondContact O-N 3.43Å; S1215-S1217 VanDerWaalsContact O-N 3.09Å; S1215-S1217 PolarHBondContact OG-OG 3.37Å; S1217-N1219 PolarHBondContact O-N 3Å
1218N44Very low56Low155 Ų155133.8 Ų133.883%0.82968%0.68SS**  trans-69.671.4159.5-77.4-10.8000107.6K1216 T1220K1216-N1218 PolarHBondContact O-N 3.36Å; N1218-T1220 PolarHBondContact O-N 3.13Å
1219N53Low58.9Low130 Ų130133 Ų13370%0.69567%0.667SS**  trans-67.488.9172.9-84.4-9000107.8S1217 V1221S1217-N1219 PolarHBondContact O-N 3Å; N1219-V1221 PolarHBondContact O-N 3.44Å
1220T60.9Low61.7Low123 Ų123123.7 Ų123.776%0.75564%0.635SS**  trans-65.287.1169.451.90000108.1N1218 T1222N1218-T1220 PolarHBondContact O-N 3.13Å; T1220-T1222 PolarHBondContact O-N 3.34Å
1221V71Confident64.6Low92 Ų92118.1 Ų118.156%0.55861%0.611SS**  trans-52.8115176.1-179.20000107.5N1219 Q1225 L1226N1219-V1221 PolarHBondContact O-N 3.44Å; V1221-Q1225 HydrophobicContact CG1-CB 3.91Å; V1221-L1226 HydrophobicContact CG1-CB 4.08Å
1222T80.6Confident67.3Low70 Ų70114.9 Ų114.943%0.42959%0.586SS.*  trans-65.3150.9-177.962.50000109.5T1220 N1224 Q1225 L1226T1220-T1222 PolarHBondContact O-N 3.34Å; T1222-N1224 PolarHBondContact O-N 3.44Å; T1222-N1224 VanDerWaalsContact O-N 3.08Å; T1222-Q1225 PolarHBondContact O-N 2.98Å; T1222-Q1225 VanDerWaalsContact OG1-CD 3.26Å; T1222-Q1225 VanDerWaalsContact OG1-CG 3.3Å; T1222-Q1225 WeakPolarHBondContact OG1-CG 3.12Å; T1222-Q1225 PolarHBondContact OG1-N 3.02Å; T1222-Q1225 PolarHBondContact OG1-OE1 3.25Å; T1222-L1226 PolarHBondContact O-N 2.86Å
1223R81.3Confident70Confident206 Ų206110.8 Ų110.878%0.77757%0.567SS**Hα-helixtrans-50-39.2176.6-178.7176.9172.687.8-0.9111.5L1226 S1227R1223-L1226 PolarHBondContact O-N 3.03Å; R1223-S1227 WeakPolarHBondContact O-CB 3.42Å; R1223-S1227 PolarHBondContact O-N 3.13Å; R1223-S1227 PolarHBondContact O-OG 3.35Å
1224N84.2Confident72.4Confident130 Ų130104.1 Ų104.170%0.69553%0.534SS*.Hα-helixtrans-68.2-41.1-179.6-619.4000112.3T1222 Y1228T1222-N1224 PolarHBondContact O-N 3.44Å; T1222-N1224 VanDerWaalsContact O-N 3.08Å; N1224-Y1228 VanDerWaalsContact O-CB 3.3Å; N1224-Y1228 WeakPolarHBondContact O-CB 3.36Å; N1224-Y1228 PolarHBondContact O-N 3.19Å
1225Q86.5Confident74.8Confident99 Ų99100.9 Ų100.946%0.46352%0.522SS..Hα-helixtrans-65.2-42173.9-74.7162-43.700111.7V1221 T1222 Y1228 H1229V1221-Q1225 HydrophobicContact CG1-CB 3.91Å; T1222-Q1225 PolarHBondContact O-N 2.98Å; T1222-Q1225 VanDerWaalsContact OG1-CD 3.26Å; T1222-Q1225 VanDerWaalsContact OG1-CG 3.3Å; T1222-Q1225 WeakPolarHBondContact OG1-CG 3.12Å; T1222-Q1225 PolarHBondContact OG1-N 3.02Å; T1222-Q1225 PolarHBondContact OG1-OE1 3.25Å; Q1225-Y1228 PolarHBondContact O-N 3.42Å; Q1225-H1229 PolarHBondContact O-CD2 2.86Å; Q1225-H1229 PolarHBondContact O-N 2.76Å
1226L86.7Confident76.8Confident75 Ų75104 Ų10439%0.39352%0.524SS..Hα-helixtrans-62.4-49.4175.6178.660.5000111.1V1221 T1222 R1223 Y1228 H1229 V1230 L1253V1221-L1226 HydrophobicContact CG1-CB 4.08Å; T1222-L1226 PolarHBondContact O-N 2.86Å; R1223-L1226 PolarHBondContact O-N 3.03Å; L1226-Y1228 VanDerWaalsContact C-N 3.31Å; L1226-Y1228 PolarHBondContact O-N 3.23Å; L1226-H1229 PolarHBondContact O-N 3.47Å; L1226-V1230 HydrophobicContact CD1-CG2 4.05Å; L1226-V1230 HydrophobicContact CG-CG2 4.46Å; L1226-V1230 WeakPolarHBondContact O-CB 3.35Å; L1226-V1230 VanDerWaalsContact O-CG2 3.29Å; L1226-V1230 WeakPolarHBondContact O-CG2 3.33Å; L1226-V1230 PolarHBondContact O-N 3.26Å; L1226-L1253 HydrophobicContact CD1-CD1 4.25Å
1227S89.4Confident78.9Confident66 Ų6697.6 Ų97.646%0.46250%0.5SS..Hα-helixtrans-59.4-39.9176-70.60000112.5R1223 A1231R1223-S1227 WeakPolarHBondContact O-CB 3.42Å; R1223-S1227 PolarHBondContact O-N 3.13Å; R1223-S1227 PolarHBondContact O-OG 3.35Å; S1227-A1231 WeakPolarHBondContact O-CB 3.3Å; S1227-A1231 PolarHBondContact O-N 3.2Å
1228Y92.8Very high80.7Confident143 Ų143102.8 Ų102.856%0.56152%0.52SS*.Hα-helixtrans-64.4-46.9176.7179.6-104.6000112.3N1224 Q1225 L1226 A1231 Q1232N1224-Y1228 VanDerWaalsContact O-CB 3.3Å; N1224-Y1228 WeakPolarHBondContact O-CB 3.36Å; N1224-Y1228 PolarHBondContact O-N 3.19Å; Q1225-Y1228 PolarHBondContact O-N 3.42Å; L1226-Y1228 VanDerWaalsContact C-N 3.31Å; L1226-Y1228 PolarHBondContact O-N 3.23Å; Y1228-A1231 PolarHBondContact O-N 3.49Å; Y1228-Q1232 HydrophobicContact CD1-CG 4.46Å; Y1228-Q1232 VanDerWaalsContact CE1-CD 3.48Å; Y1228-Q1232 HydrophobicContact CE1-CG 4.13Å; Y1228-Q1232 VanDerWaalsContact CE1-NE2 3.27Å; Y1228-Q1232 WeakPolarHBondContact O-CG 3.38Å; Y1228-Q1232 PolarHBondContact O-N 2.78Å; Y1228-Q1232 PolarHBondContact OH-NE2 3.33Å; Y1228-Q1232 VanDerWaalsContact OH-NE2 3.15Å
1229H90.1Very high82.2Confident107 Ų10799.3 Ų99.350%0.49550%0.497SS..Hα-helixtrans-70.7-32.1178.2-70.6-53.1000113.2Q1225 L1226 Q1232 Y1233Q1225-H1229 PolarHBondContact O-CD2 2.86Å; Q1225-H1229 PolarHBondContact O-N 2.76Å; L1226-H1229 PolarHBondContact O-N 3.47Å; H1229-Q1232 PolarHBondContact ND1-OE1 2.78Å; H1229-Q1232 PolarHBondContact O-N 2.92Å; H1229-Y1233 PolarHBondContact O-N 2.95Å
1230V90.3Very high83.2Confident21 Ų2196.4 Ų96.413%0.12749%0.485CS..Hα-helixtrans-66.2-41170.8171.10000110.9L1226 Y1233 L1234 I1244L1226-V1230 HydrophobicContact CD1-CG2 4.05Å; L1226-V1230 HydrophobicContact CG-CG2 4.46Å; L1226-V1230 WeakPolarHBondContact O-CB 3.35Å; L1226-V1230 VanDerWaalsContact O-CG2 3.29Å; L1226-V1230 WeakPolarHBondContact O-CG2 3.33Å; L1226-V1230 PolarHBondContact O-N 3.26Å; V1230-Y1233 WeakPolarHBondContact O-CB 3.45Å; V1230-Y1233 PolarHBondContact O-N 3.28Å; V1230-L1234 WeakPolarHBondContact O-CG 3.36Å; V1230-L1234 PolarHBondContact O-N 3.02Å; V1230-I1244 HydrophobicContact CG1-CD1 3.46Å; V1230-I1244 VanDerWaalsContact CG1-CD1 3.46Å; V1230-I1244 HydrophobicContact CG1-CG1 3.78Å
1231A91.1Very high83.9Confident42 Ų4294.7 Ų94.735%0.34748%0.477SS..Hα-helixtrans-64-40.4173.100000112.2S1227 Y1228 Y1233 L1234 I1235S1227-A1231 WeakPolarHBondContact O-CB 3.3Å; S1227-A1231 PolarHBondContact O-N 3.2Å; Y1228-A1231 PolarHBondContact O-N 3.49Å; A1231-Y1233 VanDerWaalsContact C-N 3.32Å; A1231-Y1233 PolarHBondContact O-N 3.28Å; A1231-L1234 PolarHBondContact O-N 3.23Å; A1231-I1235 WeakPolarHBondContact O-CB 3.46Å; A1231-I1235 VanDerWaalsContact O-CG1 3.29Å; A1231-I1235 WeakPolarHBondContact O-CG1 3.4Å; A1231-I1235 PolarHBondContact O-N 3.32Å
1232Q90.7Very high84.1Confident61 Ų6194.9 Ų94.929%0.28547%0.471SS..Hα-helixtrans-60.1-40.6172.5-74.6-172.9-34.400112.4Y1228 H1229 K1236Y1228-Q1232 HydrophobicContact CD1-CG 4.46Å; Y1228-Q1232 VanDerWaalsContact CE1-CD 3.48Å; Y1228-Q1232 HydrophobicContact CE1-CG 4.13Å; Y1228-Q1232 VanDerWaalsContact CE1-NE2 3.27Å; Y1228-Q1232 WeakPolarHBondContact O-CG 3.38Å; Y1228-Q1232 PolarHBondContact O-N 2.78Å; Y1228-Q1232 PolarHBondContact OH-NE2 3.33Å; Y1228-Q1232 VanDerWaalsContact OH-NE2 3.15Å; H1229-Q1232 PolarHBondContact ND1-OE1 2.78Å; H1229-Q1232 PolarHBondContact O-N 2.92Å; Q1232-K1236 VanDerWaalsContact O-CB 3.26Å; Q1232-K1236 WeakPolarHBondContact O-CB 3.4Å; Q1232-K1236 WeakPolarHBondContact O-CG 3.33Å; Q1232-K1236 PolarHBondContact O-N 3.45Å
1233Y89.9Confident84.1Confident77 Ų7793.1 Ų93.130%0.30246%0.461SS..Hα-helixtrans-62-50.5174.6164.2-110.7000111.7H1229 V1230 A1231 I1235 K1236 D1237 K1239 T1243 F1249H1229-Y1233 PolarHBondContact O-N 2.95Å; V1230-Y1233 WeakPolarHBondContact O-CB 3.45Å; V1230-Y1233 PolarHBondContact O-N 3.28Å; A1231-Y1233 VanDerWaalsContact C-N 3.32Å; A1231-Y1233 PolarHBondContact O-N 3.28Å; Y1233-I1235 VanDerWaalsContact C-N 3.33Å; Y1233-I1235 PolarHBondContact O-N 3.47Å; Y1233-K1236 PolarHBondContact O-N 2.71Å; Y1233-D1237 HydrophobicContact CD2-CB 4.2Å; Y1233-D1237 WeakPolarHBondContact CD2-OD2 3.46Å; Y1233-D1237 HydrophobicContact CE2-CB 4.12Å; Y1233-D1237 VanDerWaalsContact CE2-OD2 3.22Å; Y1233-D1237 WeakPolarHBondContact CE2-OD2 3.41Å; Y1233-D1237 WeakPolarHBondContact O-CB 3.48Å; Y1233-D1237 PolarHBondContact O-N 3.14Å; Y1233-K1239 HydrophobicContact CE1-CB 4.49Å; Y1233-K1239 HydrophobicContact CE1-CG 4.27Å; Y1233-K1239 HydrophobicContact CE2-CG 4.34Å; Y1233-T1243 HydrophobicContact CE1-CG2 4.22Å; Y1233-F1249 HydrophobicContact CD1-CE2 4.13Å; Y1233-F1249 HydrophobicContact CD1-CZ 4.46Å; Y1233-F1249 HydrophobicContact CE1-CD2 4.34Å; Y1233-F1249 AromaticContact CE1-CE2 3.64Å; Y1233-F1249 HydrophobicContact CE1-CE2 3.64Å; Y1233-F1249 HydrophobicContact CE1-CZ 4.35Å
1234L86.6Confident84Confident25 Ų2587 Ų8713%0.13144%0.442CS..Hα-helixtrans-56.8-46.6178.3-66.8-176.6000112.1V1230 A1231 M1238 K1239 P1241 I1244V1230-L1234 WeakPolarHBondContact O-CG 3.36Å; V1230-L1234 PolarHBondContact O-N 3.02Å; A1231-L1234 PolarHBondContact O-N 3.23Å; L1234-M1238 WeakPolarHBondContact O-CA 3.46Å; L1234-M1238 PolarHBondContact O-N 3.26Å; L1234-K1239 HydrophobicContact CD2-CB 3.81Å; L1234-K1239 PolarHBondContact O-N 3.05Å; L1234-P1241 HydrophobicContact CD1-CB 4.37Å; L1234-I1244 HydrophobicContact CD1-CD1 3.89Å; L1234-I1244 HydrophobicContact CD1-CG1 4.41Å; L1234-I1244 HydrophobicContact CD2-CG1 4.49Å
1235I84.1Confident83.7Confident129 Ų12983.1 Ų83.166%0.66243%0.433SS*.Hα-helixtrans-71.5-42.5-176.4-65.5166000111.8A1231 Y1233A1231-I1235 WeakPolarHBondContact O-CB 3.46Å; A1231-I1235 VanDerWaalsContact O-CG1 3.29Å; A1231-I1235 WeakPolarHBondContact O-CG1 3.4Å; A1231-I1235 PolarHBondContact O-N 3.32Å; Y1233-I1235 VanDerWaalsContact C-N 3.33Å; Y1233-I1235 PolarHBondContact O-N 3.47Å
1236K79.2Confident83.3Confident157 Ų15779.9 Ų79.968%0.68343%0.426SS*.Hα-helixtrans-74.9-39.8-176.9-75.1-174.4170.3-169.20113.4Q1232 Y1233 M1238Q1232-K1236 VanDerWaalsContact O-CB 3.26Å; Q1232-K1236 WeakPolarHBondContact O-CB 3.4Å; Q1232-K1236 WeakPolarHBondContact O-CG 3.33Å; Q1232-K1236 PolarHBondContact O-N 3.45Å; Y1233-K1236 PolarHBondContact O-N 2.71Å; K1236-M1238 VanDerWaalsContact C-N 3.29Å
1237D82.5Confident82.9Confident83 Ų8379.9 Ų79.944%0.44443%0.425SS..THydrogen-bonded Turntrans-94.59.8-174.7-63.915000111.5Y1233 K1239Y1233-D1237 HydrophobicContact CD2-CB 4.2Å; Y1233-D1237 WeakPolarHBondContact CD2-OD2 3.46Å; Y1233-D1237 HydrophobicContact CE2-CB 4.12Å; Y1233-D1237 VanDerWaalsContact CE2-OD2 3.22Å; Y1233-D1237 WeakPolarHBondContact CE2-OD2 3.41Å; Y1233-D1237 WeakPolarHBondContact O-CB 3.48Å; Y1233-D1237 PolarHBondContact O-N 3.14Å; D1237-K1239 VanDerWaalsContact C-N 3.32Å; D1237-K1239 HydrophobicContact CB-CG 3.88Å; D1237-K1239 WeakPolarHBondContact O-CE 3.26Å; D1237-K1239 PolarHBondContact O-N 3.13Å; D1237-K1239 PolarHBondContact O-NZ 3.47Å
1238M79.7Confident82.6Confident167 Ų16779.5 Ų79.582%0.82343%0.431SS*.THydrogen-bonded Turntrans46.750.9-175.7-67.2-65.5-147.800112.3L1234 K1236L1234-M1238 WeakPolarHBondContact O-CA 3.46Å; L1234-M1238 PolarHBondContact O-N 3.26Å; K1236-M1238 VanDerWaalsContact C-N 3.29Å
1239K75.6Confident82.2Confident82 Ų8274.5 Ų74.536%0.35741%0.412SS..  trans-98.3133.9-178.8-58.8-63.8174.7-110.10111Y1233 L1234 D1237Y1233-K1239 HydrophobicContact CE1-CB 4.49Å; Y1233-K1239 HydrophobicContact CE1-CG 4.27Å; Y1233-K1239 HydrophobicContact CE2-CG 4.34Å; L1234-K1239 HydrophobicContact CD2-CB 3.81Å; L1234-K1239 PolarHBondContact O-N 3.05Å; D1237-K1239 VanDerWaalsContact C-N 3.32Å; D1237-K1239 HydrophobicContact CB-CG 3.88Å; D1237-K1239 WeakPolarHBondContact O-CE 3.26Å; D1237-K1239 PolarHBondContact O-N 3.13Å; D1237-K1239 PolarHBondContact O-NZ 3.47Å
1240P74.6Confident82Confident69 Ų6974 Ų7445%0.44841%0.406SS..  trans-69.3144179.932.9-37.7000109.8E1242 T1243P1240-E1242 WeakPolarHBondContact CB-OE2 3.35Å; P1240-E1242 PolarHBondContact O-N 2.88Å; P1240-T1243 VanDerWaalsContact O-CB 3.22Å; P1240-T1243 WeakPolarHBondContact O-CB 3.42Å; P1240-T1243 PolarHBondContact O-N 2.85Å; P1240-T1243 PolarHBondContact O-OG1 3.4Å
1241P75.1Confident81.6Confident88 Ų8877.9 Ų77.957%0.57142%0.421SS*.G310 helixtrans-53.8-31.1-173-28.235.9000115.2L1234 T1243 I1244L1234-P1241 HydrophobicContact CD1-CB 4.37Å; P1241-T1243 PolarHBondContact O-N 2.67Å; P1241-I1244 PolarHBondContact O-N 2.91Å; P1241-I1244 VanDerWaalsContact O-N 3.13Å
1242E75.9Confident81.3Confident95 Ų9580.2 Ų80.244%0.44443%0.427SS..G310 helixtrans-57.5-18.8176-5978.8-177.100112.7P1240 I1244 G1245 G1246P1240-E1242 WeakPolarHBondContact CB-OE2 3.35Å; P1240-E1242 PolarHBondContact O-N 2.88Å; E1242-I1244 PolarHBondContact O-N 3.37Å; E1242-G1245 CarbonylContact O-C 3.58Å; E1242-G1245 VanDerWaalsContact O-CA 3.24Å; E1242-G1245 WeakPolarHBondContact O-CA 3.4Å; E1242-G1245 PolarHBondContact O-N 3.33Å; E1242-G1246 PolarHBondContact O-N 3.35Å
1243T79.2Confident81Confident34 Ų3480.7 Ų80.721%0.20943%0.431CS..G310 helixtrans-53.8-36.6172.7-54.70000111.9Y1233 P1240 P1241 G1245 G1246 F1249Y1233-T1243 HydrophobicContact CE1-CG2 4.22Å; P1240-T1243 VanDerWaalsContact O-CB 3.22Å; P1240-T1243 WeakPolarHBondContact O-CB 3.42Å; P1240-T1243 PolarHBondContact O-N 2.85Å; P1240-T1243 PolarHBondContact O-OG1 3.4Å; P1241-T1243 PolarHBondContact O-N 2.67Å; T1243-G1245 PolarHBondContact O-N 2.97Å; T1243-G1246 PolarHBondContact O-N 2.92Å; T1243-G1246 VanDerWaalsContact O-N 3.12Å; T1243-F1249 HydrophobicContact CG2-CD2 4.28Å; T1243-F1249 WeakPolarHBondContact O-CB 3.45Å
1244I80.7Confident80.5Confident76 Ų7681.5 Ų81.539%0.3945%0.448SS..G310 helixtrans-65.2-28.9175.8-53.6171.6000111V1230 L1234 P1241 E1242 G1246 F1249V1230-I1244 HydrophobicContact CG1-CD1 3.46Å; V1230-I1244 VanDerWaalsContact CG1-CD1 3.46Å; V1230-I1244 HydrophobicContact CG1-CG1 3.78Å; L1234-I1244 HydrophobicContact CD1-CD1 3.89Å; L1234-I1244 HydrophobicContact CD1-CG1 4.41Å; L1234-I1244 HydrophobicContact CD2-CG1 4.49Å; P1241-I1244 PolarHBondContact O-N 2.91Å; P1241-I1244 VanDerWaalsContact O-N 3.13Å; E1242-I1244 PolarHBondContact O-N 3.37Å; I1244-G1246 VanDerWaalsContact C-N 3.3Å; I1244-G1246 PolarHBondContact O-N 2.71Å; I1244-F1249 HydrophobicContact CG1-CE1 4.45Å; I1244-F1249 HydrophobicContact CG2-CE1 4.4Å
1245G76.1Confident80.1Confident49 Ų4985.6 Ų85.651%0.50547%0.47SS..G310 helixtrans-74.9-7.6174.600000115E1242 T1243 R1250E1242-G1245 CarbonylContact O-C 3.58Å; E1242-G1245 VanDerWaalsContact O-CA 3.24Å; E1242-G1245 WeakPolarHBondContact O-CA 3.4Å; E1242-G1245 PolarHBondContact O-N 3.33Å; T1243-G1245 PolarHBondContact O-N 2.97Å; G1245-R1250 PolarHBondContact O-NH1 2.9Å
1246G79.3Confident79.6Confident31 Ų3184.8 Ų84.832%0.3246%0.461SS..  trans-73.3135.2177.600000113.8E1242 T1243 I1244 G1248 F1249 R1250E1242-G1246 PolarHBondContact O-N 3.35Å; T1243-G1246 PolarHBondContact O-N 2.92Å; T1243-G1246 VanDerWaalsContact O-N 3.12Å; I1244-G1246 VanDerWaalsContact C-N 3.3Å; I1244-G1246 PolarHBondContact O-N 2.71Å; G1246-G1248 VanDerWaalsContact C-N 3.31Å; G1246-G1248 PolarHBondContact O-N 3.33Å; G1246-F1249 PolarHBondContact O-N 3.1Å; G1246-R1250 PolarHBondContact O-N 2.94Å; G1246-R1250 VanDerWaalsContact O-N 3.1Å
1247E78.6Confident78.7Confident76 Ų7681.7 Ų81.736%0.35546%0.456SS..Hα-helixtrans-60.8-40.8174.2-175.8172.914700111.6F1249 R1250 K1251 W1867 K1871E1247-F1249 PolarHBondContact O-N 3.07Å; E1247-R1250 PolarHBondContact O-N 2.73Å; E1247-K1251 WeakPolarHBondContact O-CB 3.3Å; E1247-K1251 PolarHBondContact O-N 2.91Å; E1247-W1867 WeakPolarHBondContact OE1-CH2 3.13Å; E1247-W1867 WeakPolarHBondContact OE1-CZ3 3.24Å; E1247-K1871 WeakPolarHBondContact OE1-CE 3.29Å; E1247-K1871 IonicContact OE1-NZ 3.74Å; E1247-K1871 PolarHBondContact OE1-NZ 2.78Å
1248G82Confident77.7Confident57 Ų5786.2 Ų86.259%0.58848%0.48SS*.Hα-helixtrans-59.7-44.717600000113.2G1246 K1251 L1252G1246-G1248 VanDerWaalsContact C-N 3.31Å; G1246-G1248 PolarHBondContact O-N 3.33Å; G1248-K1251 PolarHBondContact O-N 3.44Å; G1248-L1252 WeakPolarHBondContact O-CB 3.44Å; G1248-L1252 PolarHBondContact O-N 3.41Å
1249F85.3Confident77.1Confident39 Ų3985 Ų8517%0.17147%0.472CS..Hα-helixtrans-64.1-42.5176.9-177.4-95.4000111.7Y1233 T1243 I1244 G1246 E1247 L1252 L1253Y1233-F1249 HydrophobicContact CD1-CE2 4.13Å; Y1233-F1249 HydrophobicContact CD1-CZ 4.46Å; Y1233-F1249 HydrophobicContact CE1-CD2 4.34Å; Y1233-F1249 AromaticContact CE1-CE2 3.64Å; Y1233-F1249 HydrophobicContact CE1-CE2 3.64Å; Y1233-F1249 HydrophobicContact CE1-CZ 4.35Å; T1243-F1249 HydrophobicContact CG2-CD2 4.28Å; T1243-F1249 WeakPolarHBondContact O-CB 3.45Å; I1244-F1249 HydrophobicContact CG1-CE1 4.45Å; I1244-F1249 HydrophobicContact CG2-CE1 4.4Å; G1246-F1249 PolarHBondContact O-N 3.1Å; E1247-F1249 PolarHBondContact O-N 3.07Å; F1249-L1252 PolarHBondContact O-N 3.32Å; F1249-L1253 HydrophobicContact CE1-CD2 4.34Å; F1249-L1253 WeakPolarHBondContact O-CB 3.41Å; F1249-L1253 PolarHBondContact O-N 2.82Å
1250R84.6Confident77.1Confident96 Ų9689.5 Ų89.536%0.36249%0.492SS..Hα-helixtrans-63.2-43.3174-69.7-168.8-63.7-87.8-0.4112.7G1245 G1246 E1247 L1253 S1254G1245-R1250 PolarHBondContact O-NH1 2.9Å; G1246-R1250 PolarHBondContact O-N 2.94Å; G1246-R1250 VanDerWaalsContact O-N 3.1Å; E1247-R1250 PolarHBondContact O-N 2.73Å; R1250-L1253 PolarHBondContact O-N 3.48Å; R1250-S1254 PolarHBondContact O-N 3.25Å
1251K82.8Confident77.3Confident102 Ų10291.8 Ų91.844%0.44350%0.499SS..Hα-helixtrans-61.8-45.6177.3-167.7178.9-179.1-174.50110.1E1247 G1248 S1254 L1255E1247-K1251 WeakPolarHBondContact O-CB 3.3Å; E1247-K1251 PolarHBondContact O-N 2.91Å; G1248-K1251 PolarHBondContact O-N 3.44Å; K1251-S1254 PolarHBondContact O-N 3.09Å; K1251-S1254 PolarHBondContact O-OG 2.85Å; K1251-L1255 WeakPolarHBondContact O-CG 3.47Å
1252L85.2Confident77.8Confident91 Ų9191.3 Ų91.348%0.47650%0.497SS..Hα-helixtrans-60-48.1174.1179.563.8000112.2G1248 F1249 S1254 L1255 F1256G1248-L1252 WeakPolarHBondContact O-CB 3.44Å; G1248-L1252 PolarHBondContact O-N 3.41Å; F1249-L1252 PolarHBondContact O-N 3.32Å; L1252-S1254 PolarHBondContact O-N 3.49Å; L1252-L1255 PolarHBondContact O-N 3.31Å; L1252-F1256 HydrophobicContact CD1-CE2 4.03Å; L1252-F1256 HydrophobicContact CD1-CZ 4.04Å; L1252-F1256 HydrophobicContact CD2-CE2 4.12Å; L1252-F1256 HydrophobicContact CD2-CZ 4.41Å; L1252-F1256 HydrophobicContact CG-CD2 4.4Å; L1252-F1256 HydrophobicContact CG-CE2 3.68Å; L1252-F1256 HydrophobicContact CG-CZ 4.14Å
1253L83.3Confident78.2Confident72 Ų7290 Ų9038%0.37750%0.495SS..Hα-helixtrans-61.4-32179.8-172.261.1000112.6L1226 F1249 R1250 L1255 F1256L1226-L1253 HydrophobicContact CD1-CD1 4.25Å; F1249-L1253 HydrophobicContact CE1-CD2 4.34Å; F1249-L1253 WeakPolarHBondContact O-CB 3.41Å; F1249-L1253 PolarHBondContact O-N 2.82Å; R1250-L1253 PolarHBondContact O-N 3.48Å; L1253-L1255 PolarHBondContact O-N 2.7Å; L1253-F1256 HydrophobicContact CD1-CD2 4.48Å
1254S80.5Confident78.2Confident93 Ų9395.5 Ų95.565%0.6552%0.522SS*.THydrogen-bonded Turntrans-70.8-12.2174.976.50000115R1250 K1251 L1252R1250-S1254 PolarHBondContact O-N 3.25Å; K1251-S1254 PolarHBondContact O-N 3.09Å; K1251-S1254 PolarHBondContact O-OG 2.85Å; L1252-S1254 PolarHBondContact O-N 3.49Å
1255L78.8Confident78.3Confident112 Ų11298 Ų9859%0.58653%0.53SS*.THydrogen-bonded Turntrans-105.6-3.7-176.8-65.7169.9000113.8K1251 L1252 L1253 T1257K1251-L1255 WeakPolarHBondContact O-CG 3.47Å; L1252-L1255 PolarHBondContact O-N 3.31Å; L1253-L1255 PolarHBondContact O-N 2.7Å; L1255-T1257 PolarHBondContact O-N 2.63Å
1256F73.3Confident78.8Confident111 Ų11199.2 Ų99.249%0.48752%0.522SS..  trans-76.586.8-175.8-88.9-56.1000113.4L1252 L1253 L1261L1252-F1256 HydrophobicContact CD1-CE2 4.03Å; L1252-F1256 HydrophobicContact CD1-CZ 4.04Å; L1252-F1256 HydrophobicContact CD2-CE2 4.12Å; L1252-F1256 HydrophobicContact CD2-CZ 4.41Å; L1252-F1256 HydrophobicContact CG-CD2 4.4Å; L1252-F1256 HydrophobicContact CG-CE2 3.68Å; L1252-F1256 HydrophobicContact CG-CZ 4.14Å; L1253-F1256 HydrophobicContact CD1-CD2 4.48Å; F1256-L1261 HydrophobicContact CE1-CD2 3.63Å; F1256-L1261 HydrophobicContact CZ-CD2 3.79Å
1257T60.1Low79.1Confident93 Ų93100.6 Ų100.657%0.57152%0.521SS*.SBendtrans-12480173.953.60000112.4L1255 H1259L1255-T1257 PolarHBondContact O-N 2.63Å; T1257-H1259 PolarHBondContact O-CD2 3.33Å; T1257-H1259 PolarHBondContact O-N 3.08Å; T1257-H1259 PolarHBondContact O-NE2 3.03Å; T1257-H1259 PolarHBondContact OG1-CD2 3.35Å; T1257-H1259 PolarHBondContact OG1-NE2 2.88Å
1258N61.1Low79.3Confident177 Ų17798 Ų9895%0.94751%0.512SS*.SBendtrans53.817.4173.3-66.4-1.9000117
1259H66.7Low79.5Confident141 Ų141101 Ų10165%0.65351%0.511SS*.PPolyproline II helixtrans-79.2147.6175.3-64.9-65.2000111.7T1257T1257-H1259 PolarHBondContact O-CD2 3.33Å; T1257-H1259 PolarHBondContact O-N 3.08Å; T1257-H1259 PolarHBondContact O-NE2 3.03Å; T1257-H1259 PolarHBondContact OG1-CD2 3.35Å; T1257-H1259 PolarHBondContact OG1-NE2 2.88Å
1260K75.5Confident79.7Confident177 Ų177103.2 Ų103.277%0.7752%0.523SS*.PPolyproline II helixtrans-63.9133.7170.9-173.4-163.9171.8-156.30108.9
1261L80Confident80Confident117 Ų117101.8 Ų101.861%0.61353%0.525SS*.PPolyproline II helixtrans-64.5136.5172.7-76.2165.9000110.9F1256F1256-L1261 HydrophobicContact CE1-CD2 3.63Å; F1256-L1261 HydrophobicContact CZ-CD2 3.79Å
1262P84Confident80.2Confident79 Ų7999.4 Ų99.451%0.51352%0.515SS..PPolyproline II helixtrans-70.4150.7167.531.3-34.5000110.6I1267P1262-I1267 HydrophobicContact CB-CG1 4.27Å; P1262-I1267 HydrophobicContact CG-CD1 4.18Å; P1262-I1267 HydrophobicContact CG-CG1 4.29Å
1263T85.3Confident80.5Confident68 Ų6897.3 Ų97.342%0.41751%0.507SS..PPolyproline II helixtrans-81.9162.2174.262.10000111.6K1265 E1266 I1267T1263-K1265 PolarHBondContact O-N 2.87Å; T1263-E1266 VanDerWaalsContact CB-OE2 3.29Å; T1263-E1266 WeakPolarHBondContact CB-OE2 3.36Å; T1263-E1266 WeakPolarHBondContact CG2-OE2 3.17Å; T1263-E1266 PolarHBondContact N-OE2 3.41Å; T1263-E1266 PolarHBondContact O-N 3.44Å; T1263-E1266 VanDerWaalsContact OG1-CD 3.29Å; T1263-E1266 WeakPolarHBondContact OG1-CG 3.44Å; T1263-E1266 PolarHBondContact OG1-N 3.18Å; T1263-E1266 PolarHBondContact OG1-OE2 2.87Å; T1263-I1267 WeakPolarHBondContact O-CG1 3.32Å; T1263-I1267 PolarHBondContact O-N 2.89Å; T1263-I1267 VanDerWaalsContact O-N 3.09Å
1264I80.1Confident80.9Confident148 Ų148100 Ų10076%0.75952%0.517SS*.Hα-helixtrans-53.8-41.5174-60.4173.9000110.7I1267 S1268I1264-I1267 PolarHBondContact O-N 2.9Å; I1264-S1268 PolarHBondContact O-N 3.33Å; I1264-S1268 PolarHBondContact O-OG 3.32Å
1265K82.2Confident81.3Confident130 Ų13098 Ų9857%0.56550%0.499SS*.Hα-helixtrans-65.4-45.3-179.2-167.4174.4-176.9173.30112.8T1263 I1267 S1268 E1269T1263-K1265 PolarHBondContact O-N 2.87Å; K1265-I1267 PolarHBondContact O-N 2.9Å; K1265-S1268 PolarHBondContact O-N 3.39Å; K1265-E1269 WeakPolarHBondContact CE-OE1 3.24Å; K1265-E1269 WeakPolarHBondContact CE-OE2 3.07Å; K1265-E1269 HydrophobicContact CG-CG 4.27Å; K1265-E1269 IonicContact NZ-OE1 3.8Å; K1265-E1269 IonicContact NZ-OE2 3.29Å; K1265-E1269 WeakPolarHBondContact O-CB 3.47Å; K1265-E1269 PolarHBondContact O-N 2.99Å
1266E86.6Confident81.9Confident74 Ų7494.1 Ų94.135%0.34648%0.477SS..Hα-helixtrans-62.8-29.9174.6-71158.4138.300111.8T1263 I1270 T1271T1263-E1266 VanDerWaalsContact CB-OE2 3.29Å; T1263-E1266 WeakPolarHBondContact CB-OE2 3.36Å; T1263-E1266 WeakPolarHBondContact CG2-OE2 3.17Å; T1263-E1266 PolarHBondContact N-OE2 3.41Å; T1263-E1266 PolarHBondContact O-N 3.44Å; T1263-E1266 VanDerWaalsContact OG1-CD 3.29Å; T1263-E1266 WeakPolarHBondContact OG1-CG 3.44Å; T1263-E1266 PolarHBondContact OG1-N 3.18Å; T1263-E1266 PolarHBondContact OG1-OE2 2.87Å; E1266-I1270 WeakPolarHBondContact O-CB 3.21Å; E1266-T1271 PolarHBondContact O-N 3.21Å; E1266-T1271 PolarHBondContact O-OG1 2.93Å
1267I86.1Confident82.8Confident59 Ų5992.4 Ų92.430%0.30348%0.476SS..Iπ-helixtrans-73.8-51.8173.5-64.9171.3000111.2P1262 T1263 I1264 K1265 T1271 F1272P1262-I1267 HydrophobicContact CB-CG1 4.27Å; P1262-I1267 HydrophobicContact CG-CD1 4.18Å; P1262-I1267 HydrophobicContact CG-CG1 4.29Å; T1263-I1267 WeakPolarHBondContact O-CG1 3.32Å; T1263-I1267 PolarHBondContact O-N 2.89Å; T1263-I1267 VanDerWaalsContact O-N 3.09Å; I1264-I1267 PolarHBondContact O-N 2.9Å; K1265-I1267 PolarHBondContact O-N 2.9Å; I1267-T1271 WeakPolarHBondContact O-CB 3.2Å; I1267-T1271 PolarHBondContact O-N 3.47Å; I1267-F1272 HydrophobicContact CG2-CD1 3.96Å; I1267-F1272 HydrophobicContact CG2-CD2 4.31Å; I1267-F1272 HydrophobicContact CG2-CE1 3.51Å; I1267-F1272 HydrophobicContact CG2-CE2 3.91Å; I1267-F1272 HydrophobicContact CG2-CG 4.35Å; I1267-F1272 HydrophobicContact CG2-CZ 3.48Å; I1267-F1272 VanDerWaalsContact CG2-CZ 3.48Å; I1267-F1272 WeakPolarHBondContact O-CG 3.41Å; I1267-F1272 PolarHBondContact O-N 2.98Å
1268S82Confident84.4Confident23 Ų2393.1 Ų93.116%0.16147%0.473CS..Iπ-helixtrans-76.4-38.2-171.559.70000114.6I1264 K1265 P1273I1264-S1268 PolarHBondContact O-N 3.33Å; I1264-S1268 PolarHBondContact O-OG 3.32Å; K1265-S1268 PolarHBondContact O-N 3.39Å; S1268-P1273 WeakPolarHBondContact O-CD 3.47Å
1269E86.5Confident85.8Confident119 Ų11984.7 Ų84.756%0.55643%0.428SS*.Iπ-helixtrans-95.6-15.2-173.3-65.8179.1-16200113.8K1265K1265-E1269 WeakPolarHBondContact CE-OE1 3.24Å; K1265-E1269 WeakPolarHBondContact CE-OE2 3.07Å; K1265-E1269 HydrophobicContact CG-CG 4.27Å; K1265-E1269 IonicContact NZ-OE1 3.8Å; K1265-E1269 IonicContact NZ-OE2 3.29Å; K1265-E1269 WeakPolarHBondContact O-CB 3.47Å; K1265-E1269 PolarHBondContact O-N 2.99Å
1270I89.5Confident87.1Confident85 Ų8579.8 Ų79.844%0.43641%0.405SS..Iπ-helixtrans-125.1-62.3-177.5-50.4174.8000110.3E1266 F1272 P1273 E1274E1266-I1270 WeakPolarHBondContact O-CB 3.21Å; I1270-F1272 PolarHBondContact O-N 3.39Å; I1270-P1273 WeakPolarHBondContact O-CD 3.01Å; I1270-E1274 HydrophobicContact CG2-CG 4.43Å; I1270-E1274 WeakPolarHBondContact O-CB 3.25Å; I1270-E1274 WeakPolarHBondContact O-CG 3.48Å; I1270-E1274 PolarHBondContact O-N 2.95Å
1271T89.6Confident87.8Confident66 Ų6675.4 Ų75.441%0.40539%0.39SS..Iπ-helixtrans-64.5-42.7-170.5-47.30000112.9E1266 I1267 L1275E1266-T1271 PolarHBondContact O-N 3.21Å; E1266-T1271 PolarHBondContact O-OG1 2.93Å; I1267-T1271 WeakPolarHBondContact O-CB 3.2Å; I1267-T1271 PolarHBondContact O-N 3.47Å; T1271-L1275 VanDerWaalsContact O-CB 3.23Å; T1271-L1275 WeakPolarHBondContact O-CB 3.31Å; T1271-L1275 PolarHBondContact O-N 3.27Å; T1271-L1275 VanDerWaalsContact O-N 3.13Å
1272F88.2Confident88.3Confident52 Ų5271.7 Ų71.723%0.22837%0.37CS..Hα-helixtrans-69.6-46.9177.7-69.7-15.3000112.8I1267 I1270 L1275 Y1276 M1859 Y1860 L1863I1267-F1272 HydrophobicContact CG2-CD1 3.96Å; I1267-F1272 HydrophobicContact CG2-CD2 4.31Å; I1267-F1272 HydrophobicContact CG2-CE1 3.51Å; I1267-F1272 HydrophobicContact CG2-CE2 3.91Å; I1267-F1272 HydrophobicContact CG2-CG 4.35Å; I1267-F1272 HydrophobicContact CG2-CZ 3.48Å; I1267-F1272 VanDerWaalsContact CG2-CZ 3.48Å; I1267-F1272 WeakPolarHBondContact O-CG 3.41Å; I1267-F1272 PolarHBondContact O-N 2.98Å; I1270-F1272 PolarHBondContact O-N 3.39Å; F1272-L1275 PolarHBondContact O-N 2.91Å; F1272-Y1276 WeakPolarHBondContact O-CB 3.48Å; F1272-Y1276 PolarHBondContact O-N 3.15Å; F1272-M1859 HydrophobicContact CB-CE 3.57Å; F1272-M1859 HydrophobicContact CB-CG 4.16Å; F1272-M1859 HydrophobicContact CB-SD 3.7Å; F1272-M1859 HydrophobicContact CD2-CE 4.37Å; F1272-Y1860 HydrophobicContact CZ-CD2 4.42Å; F1272-L1863 HydrophobicContact CB-CD1 4.02Å; F1272-L1863 HydrophobicContact CD1-CD1 3.94Å; F1272-L1863 HydrophobicContact CG-CD1 4.07Å
1273P90.6Very high88.6Confident47 Ų4768 Ų6831%0.30535%0.345SS..Hα-helixtrans-62.1-39.9175.9-28.536.6000114.7S1268 I1270 T1277 M1859S1268-P1273 WeakPolarHBondContact O-CD 3.47Å; I1270-P1273 WeakPolarHBondContact O-CD 3.01Å; P1273-T1277 WeakPolarHBondContact O-CB 3.37Å; P1273-T1277 PolarHBondContact O-N 3.09Å; P1273-T1277 PolarHBondContact O-OG1 2.92Å; P1273-M1859 HydrophobicContact CB-SD 4.35Å; P1273-M1859 HydrophobicContact CG-CE 4.04Å; P1273-M1859 HydrophobicContact CG-SD 3.86Å
1274E92.2Very high88.8Confident128 Ų12865.2 Ų65.260%0.59833%0.328SS*.Hα-helixtrans-61.4-53.4174.9-73.6-178.9160.300110.5I1270 Y1276 T1277 E1278I1270-E1274 HydrophobicContact CG2-CG 4.43Å; I1270-E1274 WeakPolarHBondContact O-CB 3.25Å; I1270-E1274 WeakPolarHBondContact O-CG 3.48Å; I1270-E1274 PolarHBondContact O-N 2.95Å; E1274-Y1276 VanDerWaalsContact C-N 3.32Å; E1274-Y1276 PolarHBondContact O-N 3.47Å; E1274-T1277 PolarHBondContact O-N 3.27Å; E1274-E1278 WeakPolarHBondContact O-CB 3.23Å; E1274-E1278 PolarHBondContact O-N 2.9Å
1275L90Very high89.1Confident51 Ų5163 Ų6327%0.26732%0.315SS..Hα-helixtrans-63.3-35.5179.8-172.766.2000112.8T1271 F1272 E1278 I1279 L1863 T1870T1271-L1275 VanDerWaalsContact O-CB 3.23Å; T1271-L1275 WeakPolarHBondContact O-CB 3.31Å; T1271-L1275 PolarHBondContact O-N 3.27Å; T1271-L1275 VanDerWaalsContact O-N 3.13Å; F1272-L1275 PolarHBondContact O-N 2.91Å; L1275-E1278 PolarHBondContact O-N 2.96Å; L1275-I1279 HydrophobicContact CD1-CD1 4.42Å; L1275-I1279 HydrophobicContact CD1-CG1 4.48Å; L1275-I1279 HydrophobicContact CG-CD1 4.16Å; L1275-I1279 WeakPolarHBondContact O-CB 3.48Å; L1275-I1279 VanDerWaalsContact O-CG1 3.28Å; L1275-I1279 WeakPolarHBondContact O-CG1 3.49Å; L1275-I1279 PolarHBondContact O-N 3.02Å; L1275-L1863 HydrophobicContact CB-CD2 4.21Å; L1275-L1863 HydrophobicContact CD2-CD1 4.49Å; L1275-L1863 HydrophobicContact CD2-CD2 3.98Å; L1275-L1863 HydrophobicContact CG-CD2 3.81Å; L1275-T1870 HydrophobicContact CD1-CG2 4Å; L1275-T1870 HydrophobicContact CD2-CG2 4.3Å; L1275-T1870 HydrophobicContact CG-CG2 4.43Å
1276Y91.4Very high89.1Confident32 Ų3259.4 Ų59.413%0.12530%0.301CS..Hα-helixtrans-63-46.1175.7179.4-81.3000110.7F1272 E1274 E1280 K1354 M1859 Y1862F1272-Y1276 WeakPolarHBondContact O-CB 3.48Å; F1272-Y1276 PolarHBondContact O-N 3.15Å; E1274-Y1276 VanDerWaalsContact C-N 3.32Å; E1274-Y1276 PolarHBondContact O-N 3.47Å; Y1276-E1280 VanDerWaalsContact CE1-OE2 3.31Å; Y1276-E1280 WeakPolarHBondContact CE1-OE2 3.45Å; Y1276-E1280 WeakPolarHBondContact O-CB 3.22Å; Y1276-E1280 PolarHBondContact O-N 2.98Å; Y1276-K1354 WeakPolarHBondContact OH-CE 3.31Å; Y1276-K1354 PolarHBondContact OH-NZ 2.87Å; Y1276-M1859 HydrophobicContact CD2-CB 4.29Å; Y1276-M1859 HydrophobicContact CD2-CG 3.79Å; Y1276-M1859 HydrophobicContact CG-CG 4.19Å; Y1276-Y1862 AromaticContact CD2-CD1 3.47Å; Y1276-Y1862 HydrophobicContact CD2-CD1 3.47Å; Y1276-Y1862 VanDerWaalsContact CD2-CD1 3.47Å; Y1276-Y1862 HydrophobicContact CD2-CE1 4.2Å; Y1276-Y1862 AromaticContact CD2-CG 3.92Å; Y1276-Y1862 HydrophobicContact CD2-CG 3.92Å; Y1276-Y1862 AromaticContact CE2-CD1 3.38Å; Y1276-Y1862 HydrophobicContact CE2-CD1 3.38Å; Y1276-Y1862 HydrophobicContact CE2-CD2 4.13Å; Y1276-Y1862 HydrophobicContact CE2-CE1 4.09Å; Y1276-Y1862 AromaticContact CE2-CG 3.41Å; Y1276-Y1862 HydrophobicContact CE2-CG 3.41Å; Y1276-Y1862 VanDerWaalsContact CE2-CG 3.41Å; Y1276-Y1862 HydrophobicContact CG-CD1 4.28Å
1277T92.1Very high89Confident74 Ų7456 Ų5645%0.45429%0.285SS..Hα-helixtrans-66-41.7179.2-51.80000111P1273 E1274 E1280 D1281P1273-T1277 WeakPolarHBondContact O-CB 3.37Å; P1273-T1277 PolarHBondContact O-N 3.09Å; P1273-T1277 PolarHBondContact O-OG1 2.92Å; E1274-T1277 PolarHBondContact O-N 3.27Å; T1277-E1280 PolarHBondContact O-N 3.36Å; T1277-D1281 WeakPolarHBondContact O-CB 3.36Å; T1277-D1281 PolarHBondContact O-N 3.06Å
1278E92.4Very high88.8Confident109 Ų10955 Ų5551%0.50928%0.281SS..Hα-helixtrans-66.7-39.9179.9-160.8169.7-147.700112E1274 L1275 H1282 V1873E1274-E1278 WeakPolarHBondContact O-CB 3.23Å; E1274-E1278 PolarHBondContact O-N 2.9Å; L1275-E1278 PolarHBondContact O-N 2.96Å; E1278-H1282 WeakPolarHBondContact O-CB 3.47Å; E1278-H1282 PolarHBondContact O-N 2.98Å; E1278-H1282 VanDerWaalsContact O-N 3.09Å; E1278-V1873 HydrophobicContact CB-CG1 4.49Å; E1278-V1873 HydrophobicContact CG-CG1 3.6Å; E1278-V1873 HydrophobicContact CG-CG2 4.24Å; E1278-V1873 VanDerWaalsContact OE2-CG1 3.26Å; E1278-V1873 WeakPolarHBondContact OE2-CG1 3.16Å
1279I91.5Very high88.2Confident0 Ų055.8 Ų55.80%028%0.283CS..Hα-helixtrans-69.2-40.6171.4-65.5176.7000111.6L1275 H1282 L1283 Y1862 L1863 N1866 L1869 T1870L1275-I1279 HydrophobicContact CD1-CD1 4.42Å; L1275-I1279 HydrophobicContact CD1-CG1 4.48Å; L1275-I1279 HydrophobicContact CG-CD1 4.16Å; L1275-I1279 WeakPolarHBondContact O-CB 3.48Å; L1275-I1279 VanDerWaalsContact O-CG1 3.28Å; L1275-I1279 WeakPolarHBondContact O-CG1 3.49Å; L1275-I1279 PolarHBondContact O-N 3.02Å; I1279-H1282 PolarHBondContact O-N 2.91Å; I1279-L1283 VanDerWaalsContact O-CB 3.28Å; I1279-L1283 WeakPolarHBondContact O-CB 3.45Å; I1279-L1283 PolarHBondContact O-N 3.19Å; I1279-Y1862 HydrophobicContact CB-CE1 4.31Å; I1279-Y1862 HydrophobicContact CG2-CE1 3.84Å; I1279-L1863 HydrophobicContact CD1-CD2 3.66Å; I1279-N1866 HydrophobicContact CG2-CB 3.76Å; I1279-L1869 HydrophobicContact CG2-CB 4.19Å; I1279-L1869 HydrophobicContact CG2-CD1 3.86Å; I1279-T1870 HydrophobicContact CD1-CG2 3.47Å; I1279-T1870 VanDerWaalsContact CD1-CG2 3.47Å; I1279-T1870 HydrophobicContact CG1-CG2 4.22Å
1280E92.4Very high86.9Confident38 Ų3852.1 Ų52.118%0.17826%0.264CS..Hα-helixtrans-66.1-45.1179.3177162.4-145.500111.7Y1276 T1277 L1283 N1284 K1354 Y1862Y1276-E1280 VanDerWaalsContact CE1-OE2 3.31Å; Y1276-E1280 WeakPolarHBondContact CE1-OE2 3.45Å; Y1276-E1280 WeakPolarHBondContact O-CB 3.22Å; Y1276-E1280 PolarHBondContact O-N 2.98Å; T1277-E1280 PolarHBondContact O-N 3.36Å; E1280-L1283 PolarHBondContact O-N 3.04Å; E1280-N1284 WeakPolarHBondContact CG-ND2 3.48Å; E1280-N1284 VanDerWaalsContact O-CB 3.27Å; E1280-N1284 WeakPolarHBondContact O-CB 3.44Å; E1280-N1284 PolarHBondContact O-N 3.09Å; E1280-N1284 PolarHBondContact O-ND2 3.41Å; E1280-K1354 IonicContact OE1-NZ 3.28Å; E1280-K1354 PolarHBondContact OE1-NZ 2.99Å; E1280-K1354 IonicContact OE2-NZ 3.06Å; E1280-K1354 PolarHBondContact OE2-NZ 2.99Å; E1280-Y1862 WeakPolarHBondContact CA-OH 3.33Å; E1280-Y1862 HydrophobicContact CB-CE1 4.34Å
1281D91.2Very high85.1Confident84 Ų8450.4 Ų50.445%0.44926%0.255SS..Hα-helixtrans-63.1-42.2175.2-86.2-13.5000110.8T1277 N1284 E1285T1277-D1281 WeakPolarHBondContact O-CB 3.36Å; T1277-D1281 PolarHBondContact O-N 3.06Å; D1281-N1284 PolarHBondContact O-N 2.75Å; D1281-E1285 WeakPolarHBondContact O-CB 3.16Å; D1281-E1285 PolarHBondContact O-N 2.92Å
1282H90.3Very high82.9Confident40 Ų4052.9 Ų52.919%0.18526%0.264CS..Hα-helixtrans-68.2-40176.9-173.254.2000113.5E1278 I1279 N1284 E1285 L1286 V1873E1278-H1282 WeakPolarHBondContact O-CB 3.47Å; E1278-H1282 PolarHBondContact O-N 2.98Å; E1278-H1282 VanDerWaalsContact O-N 3.09Å; I1279-H1282 PolarHBondContact O-N 2.91Å; H1282-N1284 VanDerWaalsContact C-N 3.35Å; H1282-E1285 IonicContact ND1-OE2 3.89Å; H1282-E1285 WeakPolarHBondContact O-CB 3.24Å; H1282-E1285 PolarHBondContact O-N 3.03Å; H1282-L1286 WeakPolarHBondContact O-CG 3.38Å; H1282-L1286 PolarHBondContact O-N 3.03Å; H1282-V1873 HydrophobicContact CB-CG2 4.32Å
1283L89.7Confident80.5Confident0 Ų058.5 Ų58.50%029%0.291CS..Hα-helixtrans-63.1-42.8174.2176.760.7000111I1279 E1280 E1285 L1286 L1287 Y1351 Y1353 L1869I1279-L1283 VanDerWaalsContact O-CB 3.28Å; I1279-L1283 WeakPolarHBondContact O-CB 3.45Å; I1279-L1283 PolarHBondContact O-N 3.19Å; E1280-L1283 PolarHBondContact O-N 3.04Å; L1283-E1285 VanDerWaalsContact C-N 3.33Å; L1283-L1286 PolarHBondContact O-N 2.77Å; L1283-L1287 HydrophobicContact CD1-CD1 4.29Å; L1283-L1287 HydrophobicContact CD1-CG 4.33Å; L1283-L1287 HydrophobicContact CG-CD1 4.08Å; L1283-L1287 VanDerWaalsContact O-CG 3.24Å; L1283-L1287 WeakPolarHBondContact O-CG 3.37Å; L1283-L1287 PolarHBondContact O-N 3.01Å; L1283-Y1351 HydrophobicContact CD1-CD1 3.84Å; L1283-Y1351 HydrophobicContact CD1-CD2 3.64Å; L1283-Y1351 HydrophobicContact CD1-CE1 4.24Å; L1283-Y1351 HydrophobicContact CD1-CE2 4.05Å; L1283-Y1351 HydrophobicContact CD1-CG 3.51Å; L1283-Y1353 HydrophobicContact CD2-CD2 4.49Å; L1283-L1869 HydrophobicContact CB-CD1 4.1Å; L1283-L1869 HydrophobicContact CD1-CD1 4.39Å
1284N90Very high78Confident11 Ų1157.4 Ų57.46%0.05928%0.284CS..Hα-helixtrans-60.4-43173.8-78.4-49.5000111.5E1280 D1281 H1282 L1287 D1288 R1374E1280-N1284 WeakPolarHBondContact CG-ND2 3.48Å; E1280-N1284 VanDerWaalsContact O-CB 3.27Å; E1280-N1284 WeakPolarHBondContact O-CB 3.44Å; E1280-N1284 PolarHBondContact O-N 3.09Å; E1280-N1284 PolarHBondContact O-ND2 3.41Å; D1281-N1284 PolarHBondContact O-N 2.75Å; H1282-N1284 VanDerWaalsContact C-N 3.35Å; N1284-L1287 PolarHBondContact O-N 2.6Å; N1284-D1288 WeakPolarHBondContact O-CB 3.25Å; N1284-D1288 PolarHBondContact O-N 2.69Å; N1284-R1374 VanDerWaalsContact CG-NE 3.35Å; N1284-R1374 VanDerWaalsContact OD1-CD 3.22Å; N1284-R1374 WeakPolarHBondContact OD1-CD 3.46Å; N1284-R1374 PolarHBondContact OD1-NE 3.1Å
1285E86.2Confident75.2Confident102 Ų10256.6 Ų56.648%0.47728%0.284SS..Hα-helixtrans-62-43.4176.3-156.1-142.3143.600112.1D1281 H1282 L1283 D1288 N1289D1281-E1285 WeakPolarHBondContact O-CB 3.16Å; D1281-E1285 PolarHBondContact O-N 2.92Å; H1282-E1285 IonicContact ND1-OE2 3.89Å; H1282-E1285 WeakPolarHBondContact O-CB 3.24Å; H1282-E1285 PolarHBondContact O-N 3.03Å; L1283-E1285 VanDerWaalsContact C-N 3.33Å; E1285-D1288 PolarHBondContact O-N 3.23Å; E1285-N1289 WeakPolarHBondContact O-CB 3.49Å; E1285-N1289 VanDerWaalsContact O-CG 3.26Å; E1285-N1289 PolarHBondContact O-N 3.07Å; E1285-N1289 PolarHBondContact O-ND2 3.46Å; E1285-N1289 PolarHBondContact OE1-ND2 2.98Å
1286L83.2Confident72.9Confident54 Ų5456.2 Ų56.228%0.28329%0.286SS..Hα-helixtrans-62.1-42.2175.4-72.2171.7000112.2H1282 L1283 N1289 R1290 L1869H1282-L1286 WeakPolarHBondContact O-CG 3.38Å; H1282-L1286 PolarHBondContact O-N 3.03Å; L1283-L1286 PolarHBondContact O-N 2.77Å; L1286-N1289 PolarHBondContact O-N 3.44Å; L1286-R1290 PolarHBondContact O-N 3.05Å; L1286-L1869 HydrophobicContact CD1-CD2 3.87Å
1287L83.4Confident70.8Confident2 Ų257 Ų571%0.0129%0.29CS..Hα-helixtrans-64.5-46176.4-69.9167.8000111.2L1283 N1284 N1289 I1338 Y1340 Y1353 L1375L1283-L1287 HydrophobicContact CD1-CD1 4.29Å; L1283-L1287 HydrophobicContact CD1-CG 4.33Å; L1283-L1287 HydrophobicContact CG-CD1 4.08Å; L1283-L1287 VanDerWaalsContact O-CG 3.24Å; L1283-L1287 WeakPolarHBondContact O-CG 3.37Å; L1283-L1287 PolarHBondContact O-N 3.01Å; N1284-L1287 PolarHBondContact O-N 2.6Å; L1287-N1289 VanDerWaalsContact C-N 3.32Å; L1287-N1289 PolarHBondContact O-N 3.12Å; L1287-I1338 HydrophobicContact CD2-CD1 4.1Å; L1287-Y1340 HydrophobicContact CD2-CD1 4.36Å; L1287-Y1340 HydrophobicContact CD2-CE1 3.67Å; L1287-Y1353 HydrophobicContact CD1-CD2 3.73Å; L1287-Y1353 HydrophobicContact CD1-CE2 3.77Å; L1287-L1375 HydrophobicContact CB-CD2 4.42Å; L1287-L1375 HydrophobicContact CD2-CD2 3.77Å; L1287-L1375 HydrophobicContact CD2-CG 4.47Å
1288D81.4Confident68.9Low39 Ų3955.3 Ų55.321%0.20928%0.278CS..Hα-helixtrans-63.4-35.9175.4-68.1-8.2000111.6N1284 E1285 R1374 K1378N1284-D1288 WeakPolarHBondContact O-CB 3.25Å; N1284-D1288 PolarHBondContact O-N 2.69Å; E1285-D1288 PolarHBondContact O-N 3.23Å; D1288-R1374 WeakPolarHBondContact OD1-CB 3.33Å; D1288-R1374 WeakPolarHBondContact OD1-CD 3.43Å; D1288-R1374 WeakPolarHBondContact OD1-CG 3.37Å; D1288-R1374 IonicContact OD1-CZ 3.52Å; D1288-R1374 IonicContact OD1-NH1 3.9Å; D1288-R1374 PolarHBondContact OD1-NH1 3.43Å; D1288-R1374 IonicContact OD2-CZ 2.74Å; D1288-R1374 IonicContact OD2-NH1 2.73Å; D1288-R1374 PolarHBondContact OD2-NH1 3.25Å; D1288-K1378 VanDerWaalsContact C-NZ 3.34Å; D1288-K1378 VanDerWaalsContact O-CD 3.3Å; D1288-K1378 WeakPolarHBondContact O-CD 3.35Å; D1288-K1378 VanDerWaalsContact O-CE 3.3Å; D1288-K1378 WeakPolarHBondContact O-CE 3.42Å; D1288-K1378 PolarHBondContact O-NZ 2.8Å
1289N69.4Low67.2Low39 Ų3951 Ų5121%0.20926%0.259CS..Hα-helixtrans-87.1-10.8-170.8-77.6-19.7000115.8E1285 L1286 L1287 M1291 I1292 Q1293 K1378E1285-N1289 WeakPolarHBondContact O-CB 3.49Å; E1285-N1289 VanDerWaalsContact O-CG 3.26Å; E1285-N1289 PolarHBondContact O-N 3.07Å; E1285-N1289 PolarHBondContact O-ND2 3.46Å; E1285-N1289 PolarHBondContact OE1-ND2 2.98Å; L1286-N1289 PolarHBondContact O-N 3.44Å; L1287-N1289 VanDerWaalsContact C-N 3.32Å; L1287-N1289 PolarHBondContact O-N 3.12Å; N1289-M1291 PolarHBondContact O-N 2.74Å; N1289-M1291 VanDerWaalsContact O-N 3.08Å; N1289-I1292 PolarHBondContact O-N 2.9Å; N1289-Q1293 PolarHBondContact O-N 3.04Å; N1289-K1378 PolarHBondContact OD1-NZ 3.13Å
1290R61.3Low66.5Low41 Ų4151.1 Ų51.116%0.15526%0.261CS..Hα-helixtrans-56.6-27.4177.4-85.4-149.5-69.8149.40.3114.4L1286 S1294 Y1340 N1341 L1375L1286-R1290 PolarHBondContact O-N 3.05Å; R1290-S1294 WeakPolarHBondContact O-CB 3.39Å; R1290-S1294 PolarHBondContact O-OG 3.43Å; R1290-Y1340 HydrophobicContact CG-CE2 4.42Å; R1290-Y1340 VanDerWaalsContact NE-CE2 3.3Å; R1290-Y1340 VanDerWaalsContact NH1-CD2 3.32Å; R1290-Y1340 VanDerWaalsContact NH2-CG 3.28Å; R1290-N1341 PolarHBondContact NH1-O 3.06Å; R1290-L1375 VanDerWaalsContact NH2-CD2 3.25Å
1291M49.7Very low66.2Low50 Ų5050.2 Ų50.225%0.24626%0.256CS..Hα-helixtrans-76.6-18.7174.9-84-56-47.600115N1289 K1378 L1379N1289-M1291 PolarHBondContact O-N 2.74Å; N1289-M1291 VanDerWaalsContact O-N 3.08Å; M1291-K1378 HydrophobicContact CB-CB 3.79Å; M1291-K1378 HydrophobicContact CB-CD 4.38Å; M1291-K1378 HydrophobicContact CG-CB 4.24Å; M1291-L1379 HydrophobicContact CE-CD2 3.29Å; M1291-L1379 HydrophobicContact CE-CG 3.87Å; M1291-L1379 HydrophobicContact CG-CD1 4.31Å; M1291-L1379 HydrophobicContact CG-CG 4.08Å; M1291-L1379 HydrophobicContact SD-CD1 3.81Å; M1291-L1379 HydrophobicContact SD-CD2 3.6Å; M1291-L1379 HydrophobicContact SD-CG 3.69Å
1292I43.5Very low66.2Low117 Ų11746.2 Ų46.260%0.624%0.235SC*.Hα-helixtrans-87.4-44.2-179.4-61.7-176.8000110.9N1289 K1378N1289-I1292 PolarHBondContact O-N 2.9Å; I1292-K1378 HydrophobicContact CD1-CD 4.04Å; I1292-K1378 HydrophobicContact CG1-CD 3.88Å
1293Q39.3Very low66.4Low171 Ų17144.4 Ų44.480%0.79923%0.227SC*.Hα-helixtrans-78.5-22.7-175.3-65.4-175.3-1.700113.5N1289N1289-Q1293 PolarHBondContact O-N 3.04Å
1294S36.4Very low66.5Low23 Ų2344.8 Ų44.816%0.16123%0.229CC..  trans-105.8117.9-172.977.20000112.8R1290 S1296 S1343R1290-S1294 WeakPolarHBondContact O-CB 3.39Å; R1290-S1294 PolarHBondContact O-OG 3.43Å; S1294-S1296 WeakPolarHBondContact CB-OG 3.31Å; S1294-S1296 PolarHBondContact O-N 3.42Å; S1294-S1343 WeakPolarHBondContact CB-OG 3.37Å
1295N34.8Very low66.6Low111 Ų11144.2 Ų44.259%0.59423%0.226SC*.  trans-73.624.1171.4-111.6-76.9000112.4K1430N1295-K1430 PolarHBondContact O-NZ 2.91Å
1296S41.5Very low66.7Low44 Ų4439.5 Ų39.531%0.30820%0.204SC..SBendtrans-125.7115.8-169.952.70000111.6S1294 N1298S1294-S1296 WeakPolarHBondContact CB-OG 3.31Å; S1294-S1296 PolarHBondContact O-N 3.42Å; S1296-N1298 PolarHBondContact O-N 3.43Å
1297F47.4Very low66.8Low48 Ų4837.4 Ų37.421%0.21119%0.193CC..  trans-68.259178.7-70.5-92.5000113.3K1430 Q1434 L1438 L1777F1297-K1430 HydrophobicContact CD2-CD 4.47Å; F1297-K1430 HydrophobicContact CE2-CB 3.97Å; F1297-K1430 HydrophobicContact CE2-CD 3.66Å; F1297-K1430 HydrophobicContact CE2-CG 4.46Å; F1297-K1430 HydrophobicContact CZ-CB 4.2Å; F1297-Q1434 HydrophobicContact CD2-CB 3.82Å; F1297-Q1434 HydrophobicContact CE2-CB 3.61Å; F1297-Q1434 HydrophobicContact CG-CB 4.36Å; F1297-Q1434 HydrophobicContact CZ-CB 4.03Å; F1297-L1438 HydrophobicContact CB-CB 4.16Å; F1297-L1438 HydrophobicContact CB-CD1 3.88Å; F1297-L1438 HydrophobicContact CD1-CB 4.07Å; F1297-L1438 HydrophobicContact CD1-CD1 3.9Å; F1297-L1438 HydrophobicContact CD1-CG 4.48Å; F1297-L1438 HydrophobicContact CG-CD1 4.39Å; F1297-L1777 WeakPolarHBondContact O-CD2 3.06Å
1298N51.7Low66.5Low39 Ų3937.4 Ų37.421%0.20919%0.193CC..  trans-133.574.4-172.8-108.3-30.5000113.4S1296 A1300 L1777 M1780S1296-N1298 PolarHBondContact O-N 3.43Å; N1298-A1300 PolarHBondContact O-N 3.07Å; N1298-L1777 WeakPolarHBondContact OD1-CA 3.23Å; N1298-L1777 WeakPolarHBondContact OD1-CD2 3.05Å; N1298-M1780 VanDerWaalsContact ND2-CG 3.31Å; N1298-M1780 WeakPolarHBondContact ND2-CG 3.3Å
1299P57.2Low65.9Low17 Ų1737.4 Ų37.411%0.1119%0.193CC..  trans-74.656.2166.734.8-36.5000110.4F1301 L1376 L1379 L1438P1299-F1301 WeakPolarHBondContact O-CD1 3.19Å; P1299-L1376 HydrophobicContact CB-CD2 3.89Å; P1299-L1376 HydrophobicContact CG-CD2 4.33Å; P1299-L1379 HydrophobicContact CB-CD1 4.27Å; P1299-L1379 HydrophobicContact CG-CD1 4.18Å; P1299-L1438 VanDerWaalsContact CD-CD1 3.47Å; P1299-L1438 HydrophobicContact CG-CD1 3.88Å; P1299-L1438 HydrophobicContact CG-CG 4.25Å
1300A76.5Confident65.5Low4 Ų435.7 Ų35.73%0.03318%0.184CC..  trans-84.6118.3173.500000109.5N1298 M1780 A1784N1298-A1300 PolarHBondContact O-N 3.07Å; A1300-M1780 VanDerWaalsContact CB-C 3.48Å; A1300-M1780 HydrophobicContact CB-CB 3.81Å; A1300-M1780 WeakPolarHBondContact CB-O 3.19Å; A1300-A1784 HydrophobicContact CB-CB 4.18Å
1301F86.4Confident65Low18 Ų1834.8 Ų34.88%0.07918%0.182CC..EExtended strand (participates in β ladder)trans-151.3158.3175.765.5-83.4000110.6P1299 F1303 I1338 H1339 R1372 L1375 V1446P1299-F1301 WeakPolarHBondContact O-CD1 3.19Å; F1301-F1303 HydrophobicContact CD2-CE2 4.44Å; F1301-F1303 HydrophobicContact CD2-CZ 4.35Å; F1301-F1303 AromaticContact CE2-CE2 3.9Å; F1301-F1303 HydrophobicContact CE2-CE2 3.9Å; F1301-F1303 AromaticContact CE2-CZ 3.96Å; F1301-F1303 HydrophobicContact CE2-CZ 3.96Å; F1301-I1338 HydrophobicContact CB-CD1 4.25Å; F1301-I1338 HydrophobicContact CB-CG1 4.36Å; F1301-I1338 HydrophobicContact CD2-CD1 4.25Å; F1301-I1338 HydrophobicContact CG-CD1 4.46Å; F1301-H1339 CarbonylContact C-O 3.12Å; F1301-H1339 VanDerWaalsContact CA-O 3.24Å; F1301-H1339 WeakPolarHBondContact CA-O 3.48Å; F1301-R1372 HydrophobicContact CZ-CB 4.44Å; F1301-R1372 HydrophobicContact CZ-CG 4.32Å; F1301-L1375 HydrophobicContact CD1-CD1 3.87Å; F1301-L1375 HydrophobicContact CD2-CD1 3.98Å; F1301-L1375 HydrophobicContact CE1-CD1 3.95Å; F1301-L1375 HydrophobicContact CE2-CD1 4.04Å; F1301-L1375 HydrophobicContact CG-CD1 3.9Å; F1301-L1375 HydrophobicContact CZ-CD1 4.03Å; F1301-V1446 HydrophobicContact CD2-CG1 4.37Å; F1301-V1446 HydrophobicContact CE2-CG1 3.83Å; F1301-V1446 HydrophobicContact CE2-CG2 4.44Å; F1301-V1446 HydrophobicContact CZ-CG2 4.38Å
1302S91.6Very high64.5Low0 Ų035.1 Ų35.10%019%0.185CC..EExtended strand (participates in β ladder)trans-134162.6164.571.20000110.2H1339 P1447 A1784S1302-H1339 PolarHBondContact N-O 2.86Å; S1302-H1339 PolarHBondContact O-N 3.29Å; S1302-P1447 WeakPolarHBondContact CA-O 3.39Å; S1302-P1447 WeakPolarHBondContact CB-O 3.42Å; S1302-A1784 WeakPolarHBondContact CB-O 3.39Å; S1302-A1784 PolarHBondContact OG-O 2.94Å
1303F93.6Very high64.1Low3 Ų334 Ų341%0.01318%0.18CC..EExtended strand (participates in β ladder)trans-101.8151.9169.7-64.5-66.2000111.3F1301 I1336 G1337 I1338 M1368 C1371 V1446 P1447 I1448 I1449F1301-F1303 HydrophobicContact CD2-CE2 4.44Å; F1301-F1303 HydrophobicContact CD2-CZ 4.35Å; F1301-F1303 AromaticContact CE2-CE2 3.9Å; F1301-F1303 HydrophobicContact CE2-CE2 3.9Å; F1301-F1303 AromaticContact CE2-CZ 3.96Å; F1301-F1303 HydrophobicContact CE2-CZ 3.96Å; F1303-I1336 HydrophobicContact CD1-CG2 4.19Å; F1303-G1337 CarbonylContact C-O 3.6Å; F1303-G1337 VanDerWaalsContact CA-O 3.26Å; F1303-G1337 WeakPolarHBondContact CA-O 3.27Å; F1303-I1338 HydrophobicContact CD1-CB 4.14Å; F1303-I1338 HydrophobicContact CD1-CG1 4.38Å; F1303-I1338 HydrophobicContact CE1-CB 4.23Å; F1303-I1338 HydrophobicContact CE1-CD1 4.31Å; F1303-I1338 HydrophobicContact CE1-CG1 4.29Å; F1303-M1368 HydrophobicContact CD2-CE 4.33Å; F1303-M1368 HydrophobicContact CD2-CG 4.23Å; F1303-M1368 HydrophobicContact CE2-CB 4.05Å; F1303-M1368 HydrophobicContact CE2-CE 4.5Å; F1303-M1368 HydrophobicContact CE2-CG 4.08Å; F1303-M1368 HydrophobicContact CZ-CB 4.28Å; F1303-M1368 HydrophobicContact CZ-CG 4.36Å; F1303-C1371 HydrophobicContact CE1-CB 4.03Å; F1303-C1371 HydrophobicContact CZ-CB 3.97Å; F1303-V1446 HydrophobicContact CD2-CG1 3.68Å; F1303-V1446 HydrophobicContact CE2-CG1 3.84Å; F1303-P1447 PolarHBondContact N-O 2.9Å; F1303-I1448 HydrophobicContact CB-CG1 4.31Å; F1303-I1448 HydrophobicContact CB-CG2 4.42Å; F1303-I1448 CarbonylContact O-C 3.5Å; F1303-I1448 WeakPolarHBondContact O-CA 3.35Å; F1303-I1449 WeakPolarHBondContact O-CD1 3.36Å; F1303-I1449 PolarHBondContact O-N 3.48Å
1304S92.6Very high63.5Low7 Ų732 Ų325%0.04918%0.175CC..EExtended strand (participates in β ladder)trans-112.5131.9157.353.30000109.5N1335 I1336 G1337 H1339 I1449S1304-N1335 VanDerWaalsContact O-O 3.13Å; S1304-I1336 WeakPolarHBondContact O-CA 3.28Å; S1304-G1337 PolarHBondContact N-O 2.91Å; S1304-G1337 PolarHBondContact O-N 3.29Å; S1304-G1337 WeakPolarHBondContact OG-CA 3.28Å; S1304-H1339 WeakPolarHBondContact CB-NE2 3.38Å; S1304-H1339 PolarHBondContact OG-NE2 3.47Å; S1304-I1449 CarbonylContact C-O 3.56Å; S1304-I1449 VanDerWaalsContact CA-O 3.26Å; S1304-I1449 WeakPolarHBondContact CA-O 3.28Å
1305I92.2Very high63.2Low0 Ų036.3 Ų36.30%020%0.196CC..EExtended strand (participates in β ladder)trans-116.2102.4171.2-59.3-178.4000107.6L1307 A1334 N1335 I1336 M1368 I1448 I1449 T1450 L1456I1305-L1307 HydrophobicContact CG2-CG 4.25Å; I1305-A1334 HydrophobicContact CG2-CB 4.26Å; I1305-N1335 WeakPolarHBondContact CA-O 3.33Å; I1305-I1336 HydrophobicContact CG1-CG1 4.36Å; I1305-M1368 HydrophobicContact CD1-SD 3.86Å; I1305-I1448 HydrophobicContact CB-CG2 4.25Å; I1305-I1448 HydrophobicContact CD1-CD1 4.38Å; I1305-I1448 HydrophobicContact CD1-CG2 3.8Å; I1305-I1448 HydrophobicContact CG1-CG2 3.75Å; I1305-I1449 PolarHBondContact N-O 3.48Å; I1305-T1450 VanDerWaalsContact O-CA 3.25Å; I1305-T1450 WeakPolarHBondContact O-CA 3.5Å; I1305-T1450 WeakPolarHBondContact O-CB 3.38Å; I1305-T1450 PolarHBondContact O-OG1 3Å; I1305-L1456 HydrophobicContact CD1-CD1 4.04Å; I1305-L1456 HydrophobicContact CD1-CD2 4.14Å; I1305-L1456 HydrophobicContact CG2-CD1 4.49Å
1306E88.4Confident62.8Low3 Ų338.8 Ų38.81%0.01421%0.209CC..EExtended strand (participates in β ladder)trans-92.8122.8170.4174.6-163.9-147.400109.7A1334 N1335 N1451 C1789 R1794E1306-A1334 WeakPolarHBondContact O-CA 3.49Å; E1306-N1335 HydrophobicContact CB-CB 4.13Å; E1306-N1335 PolarHBondContact N-O 2.88Å; E1306-N1335 PolarHBondContact O-N 3.46Å; E1306-N1335 PolarHBondContact OE2-ND2 3.4Å; E1306-N1451 WeakPolarHBondContact CA-OD1 3.28Å; E1306-C1789 HydrophobicContact CB-CB 4.49Å; E1306-R1794 IonicContact OE1-CZ 3.39Å; E1306-R1794 IonicContact OE1-NH1 3.71Å; E1306-R1794 PolarHBondContact OE1-NH1 3.07Å; E1306-R1794 IonicContact OE1-NH2 3.91Å; E1306-R1794 PolarHBondContact OE1-NH2 3.46Å; E1306-R1794 IonicContact OE2-CZ 3.98Å; E1306-R1794 IonicContact OE2-NH1 2.69Å; E1306-R1794 PolarHBondContact OE2-NH1 3.33Å
1307L85.4Confident62Low9 Ų943.7 Ų43.75%0.04723%0.232CC..EExtended strand (participates in β ladder)trans-100.5131177.8-69.9154.7000109.9I1305 F1333 A1334 P1359 N1451 D1452 F1455I1305-L1307 HydrophobicContact CG2-CG 4.25Å; L1307-F1333 WeakPolarHBondContact CA-O 3.5Å; L1307-A1334 HydrophobicContact CD2-CB 3.87Å; L1307-P1359 HydrophobicContact CD2-CG 3.87Å; L1307-N1451 PolarHBondContact N-OD1 3.3Å; L1307-N1451 PolarHBondContact O-ND2 3.09Å; L1307-D1452 HydrophobicContact CD1-CB 3.87Å; L1307-F1455 HydrophobicContact CD1-CB 4.45Å; L1307-F1455 HydrophobicContact CD1-CD1 3.53Å; L1307-F1455 HydrophobicContact CD1-CE1 4.19Å; L1307-F1455 HydrophobicContact CD1-CG 4.33Å; L1307-F1455 HydrophobicContact CD2-CD1 3.97Å; L1307-F1455 HydrophobicContact CD2-CE1 3.76Å; L1307-F1455 HydrophobicContact CG-CD1 4.39Å
1308W75.7Confident60.9Low2 Ų246.8 Ų46.81%0.00826%0.26CS..EExtended strand (participates in β ladder)trans-147.2165.4-179.360.1-85.5000110.9T1310 Q1332 F1333 N1335 I1841 V1844 Q1857W1308-T1310 HydrophobicContact CZ3-CG2 3.95Å; W1308-Q1332 CarbonylContact O-C 3.59Å; W1308-F1333 HydrophobicContact CD2-CB 3.71Å; W1308-F1333 HydrophobicContact CD2-CD2 4.42Å; W1308-F1333 HydrophobicContact CD2-CG 4.3Å; W1308-F1333 AromaticContact CE2-CG 3.92Å; W1308-F1333 HydrophobicContact CE3-CB 4.19Å; W1308-F1333 HydrophobicContact CE3-CD2 4.02Å; W1308-F1333 HydrophobicContact CE3-CG 4.31Å; W1308-F1333 HydrophobicContact CG-CB 4.24Å; W1308-F1333 HydrophobicContact CH2-CB 3.88Å; W1308-F1333 AromaticContact CH2-CD1 3.84Å; W1308-F1333 HydrophobicContact CH2-CD1 3.84Å; W1308-F1333 AromaticContact CH2-CD2 3.64Å; W1308-F1333 HydrophobicContact CH2-CD2 3.64Å; W1308-F1333 HydrophobicContact CH2-CE1 4.24Å; W1308-F1333 HydrophobicContact CH2-CE2 4.1Å; W1308-F1333 AromaticContact CH2-CG 3.51Å; W1308-F1333 HydrophobicContact CH2-CG 3.51Å; W1308-F1333 HydrophobicContact CH2-CZ 4.37Å; W1308-F1333 HydrophobicContact CZ2-CB 3.41Å; W1308-F1333 VanDerWaalsContact CZ2-CB 3.41Å; W1308-F1333 AromaticContact CZ2-CD1 3.85Å; W1308-F1333 HydrophobicContact CZ2-CD1 3.85Å; W1308-F1333 HydrophobicContact CZ2-CD2 4.11Å; W1308-F1333 AromaticContact CZ2-CG 3.53Å; W1308-F1333 HydrophobicContact CZ2-CG 3.53Å; W1308-F1333 HydrophobicContact CZ3-CB 4.25Å; W1308-F1333 AromaticContact CZ3-CD2 3.6Å; W1308-F1333 HydrophobicContact CZ3-CD2 3.6Å; W1308-F1333 HydrophobicContact CZ3-CE2 4.08Å; W1308-F1333 AromaticContact CZ3-CG 3.93Å; W1308-F1333 HydrophobicContact CZ3-CG 3.93Å; W1308-F1333 PolarHBondContact N-O 3.19Å; W1308-F1333 PolarHBondContact O-N 2.89Å; W1308-N1335 PolarHBondContact NE1-ND2 3.2Å; W1308-N1335 VanDerWaalsContact NE1-ND2 3.19Å; W1308-N1335 PolarHBondContact NE1-OD1 2.99Å; W1308-I1841 HydrophobicContact CB-CG2 3.87Å; W1308-I1841 WeakPolarHBondContact CB-O 3.38Å; W1308-V1844 HydrophobicContact CB-CG2 4.01Å; W1308-V1844 HydrophobicContact CD2-CG2 3.55Å; W1308-V1844 HydrophobicContact CE3-CG2 3.73Å; W1308-V1844 HydrophobicContact CG-CG2 3.69Å; W1308-V1844 HydrophobicContact CZ3-CG2 4.47Å; W1308-Q1857 HydrophobicContact CH2-CG 3.95Å; W1308-Q1857 VanDerWaalsContact CH2-NE2 3.3Å
1309N70.1Confident59.7Low40 Ų4052.6 Ų52.621%0.21429%0.291CS..EExtended strand (participates in β ladder)trans-126.9147.5-178.3-63.7-52.1000110.6Q1331 Q1332N1309-Q1331 WeakPolarHBondContact CA-O 3.42Å; N1309-Q1332 WeakPolarHBondContact OD1-CA 3.41Å; N1309-Q1332 WeakPolarHBondContact OD1-CB 3.5Å; N1309-Q1332 WeakPolarHBondContact OD1-CG 3.22Å
1310T60.4Low58.2Low3 Ų359.7 Ų59.72%0.01833%0.327CS..  trans-73.4142.416647.80000111.5W1308 N1312 Q1331 F1333W1308-T1310 HydrophobicContact CZ3-CG2 3.95Å; T1310-N1312 PolarHBondContact OG1-OD1 2.99Å; T1310-Q1331 PolarHBondContact N-O 3.11Å; T1310-Q1331 PolarHBondContact OG1-O 2.74Å; T1310-F1333 HydrophobicContact CG2-CD2 4.29Å; T1310-F1333 HydrophobicContact CG2-CE2 3.5Å; T1310-F1333 HydrophobicContact CG2-CZ 4.1Å
1311I50.4Low55.8Low21 Ų2164.2 Ų64.211%0.10836%0.358CS..  trans-89.5102.5159.9-61165.4000106.8N1313 K1523 K1524 N1842I1311-N1313 PolarHBondContact O-N 3.05Å; I1311-K1523 HydrophobicContact CD1-CB 3.86Å; I1311-K1523 HydrophobicContact CG1-CB 4.4Å; I1311-K1523 HydrophobicContact CG2-CB 4.12Å; I1311-K1523 HydrophobicContact CG2-CD 3.68Å; I1311-K1523 HydrophobicContact CG2-CG 4.49Å; I1311-K1524 HydrophobicContact CD1-CG 4.38Å; I1311-N1842 HydrophobicContact CD1-CB 3.78Å; I1311-N1842 HydrophobicContact CG1-CB 4.08Å
1312N39.3Very low53Low57 Ų5771.7 Ų71.731%0.30539%0.391SS..  trans-63.8123.7169-65.7-0.9000108.5T1310 D1314 N1329T1310-N1312 PolarHBondContact OG1-OD1 2.99Å; N1312-D1314 VanDerWaalsContact C-N 3.33Å; N1312-N1329 PolarHBondContact ND2-O 3.16Å
1313N35.5Very low49.8Very low93 Ų9379.4 Ų79.450%0.49743%0.432SS..  trans-932.3-178.8-132.350.3000112.2I1311 N1315I1311-N1313 PolarHBondContact O-N 3.05Å; N1313-N1315 PolarHBondContact O-N 2.77Å; N1313-N1315 VanDerWaalsContact O-N 3.08Å
1314D27.5Very low46.5Very low131 Ų13184.4 Ų84.470%0.70147%0.466SS*.  trans-85.372.2-172.8-59.6-49.2000112.2N1312N1312-D1314 VanDerWaalsContact C-N 3.33Å
1315N28.4Very low43.3Very low112 Ų11291.7 Ų91.760%0.59950%0.503SS*.  trans-146.342.2165.7-109.3-20.9000113.1N1313 N1317N1313-N1315 PolarHBondContact O-N 2.77Å; N1313-N1315 VanDerWaalsContact O-N 3.08Å; N1315-N1317 PolarHBondContact O-N 3.33Å
1316N26.3Very low40.3Very low164 Ų16497 Ų9788%0.87754%0.535SS*.  trans-71.253.3167.9-85.9-30.2000112.3
1317N25.3Very low37.5Very low147 Ų147102.6 Ų102.679%0.78657%0.569SS**  trans-148.7108.9169.7-101-41.8000110.5N1315 N1319N1315-N1317 PolarHBondContact O-N 3.33Å; N1317-N1319 PolarHBondContact O-N 2.8Å
1318S25.5Very low35.4Very low113 Ų113106.1 Ų106.179%0.7959%0.586SS**  trans-72.4114179.455.30000111.9
1319N25.7Very low34Very low160 Ų160112.5 Ų112.586%0.85662%0.62SS**  trans-153.3116.4150.7-99.4-38.3000110.8N1317 S1321N1317-N1319 PolarHBondContact O-N 2.8Å; N1319-S1321 VanDerWaalsContact C-N 3.3Å; N1319-S1321 PolarHBondContact O-N 3.08Å; N1319-S1321 VanDerWaalsContact O-N 3.08Å
1320L26.3Very low33.4Very low167 Ų167116.9 Ų116.987%0.87464%0.637SS**  trans-87.362.5-174.9-167.278.9000111.4K1322L1320-K1322 PolarHBondContact O-N 2.99Å
1321S26.2Very low33.9Very low98 Ų98119.6 Ų119.669%0.68565%0.65SS**  trans-75.6114167.355.40000109.7N1319N1319-S1321 VanDerWaalsContact C-N 3.3Å; N1319-S1321 PolarHBondContact O-N 3.08Å; N1319-S1321 VanDerWaalsContact O-N 3.08Å
1322K26.9Very low35.3Very low175 Ų175120.7 Ų120.776%0.76165%0.654SS**  trans-64164.5162.2-64.9174.1-177.7173.20109.4L1320L1320-K1322 PolarHBondContact O-N 2.99Å
1323D23.5Very low37.4Very low162 Ų162118 Ų11887%0.86664%0.64SS**  trans67.568.3172.4-46.9-30.5000115.2
1324C24.2Very low39.9Very low108 Ų108113.6 Ų113.673%0.7362%0.616SS**  trans-139.9142.4163.5-126.20000110.9V1326C1324-V1326 PolarHBondContact O-N 3.08Å
1325I25.4Very low42.8Very low161 Ų161107.5 Ų107.583%0.82658%0.584SS**  trans-78.4105.9178.8-63.1170.9000108.2T1327I1325-T1327 VanDerWaalsContact C-N 3.35Å; I1325-T1327 PolarHBondContact O-N 2.94Å
1326V30.6Very low45.9Very low110 Ų110102.2 Ų102.267%0.66756%0.555SS**  trans-8277.1-171.7-172.10000112C1324 E1328C1324-V1326 PolarHBondContact O-N 3.08Å; V1326-E1328 HydrophobicContact CG1-CB 3.85Å; V1326-E1328 HydrophobicContact CG1-CG 3.66Å; V1326-E1328 PolarHBondContact O-N 2.96Å; V1326-E1328 VanDerWaalsContact O-N 3.15Å
1327T29.3Very low49Very low121 Ų12194.6 Ų94.674%0.74252%0.515SS*.  trans-79.167.4153.554.20000109.3I1325I1325-T1327 VanDerWaalsContact C-N 3.35Å; I1325-T1327 PolarHBondContact O-N 2.94Å
1328E40.8Very low52.1Low83 Ų8387.6 Ų87.639%0.38848%0.478SS..  trans-59.6134.3170.3-109.3177.2-155.900109.6V1326 K1330 K1523V1326-E1328 HydrophobicContact CG1-CB 3.85Å; V1326-E1328 HydrophobicContact CG1-CG 3.66Å; V1326-E1328 PolarHBondContact O-N 2.96Å; V1326-E1328 VanDerWaalsContact O-N 3.15Å; E1328-K1330 PolarHBondContact O-N 2.69Å; E1328-K1523 IonicContact OE1-NZ 3.68Å; E1328-K1523 IonicContact OE2-NZ 2.69Å; E1328-K1523 PolarHBondContact OE2-NZ 2.88Å
1329N47.3Very low55.1Low136 Ų13683 Ų8373%0.72744%0.444SS*.  trans-70.156.9-176.7-74.7-27.6000114N1312 Q1331N1312-N1329 PolarHBondContact ND2-O 3.16Å; N1329-Q1331 PolarHBondContact O-N 2.9Å
1330K57.6Low57.8Low133 Ų13375.7 Ų75.758%0.57841%0.405SS*.  trans-69.3112172.8-67173.7-176169.90108.9E1328E1328-K1330 PolarHBondContact O-N 2.69Å
1331Q70.5Confident59.9Low60 Ų6068.7 Ų68.728%0.2837%0.368SS..  trans-79.9129.7172.2-64.3176.5-500108.5N1309 T1310 N1329 F1333N1309-Q1331 WeakPolarHBondContact CA-O 3.42Å; T1310-Q1331 PolarHBondContact N-O 3.11Å; T1310-Q1331 PolarHBondContact OG1-O 2.74Å; N1329-Q1331 PolarHBondContact O-N 2.9Å; Q1331-F1333 HydrophobicContact CB-CD2 4.47Å; Q1331-F1333 HydrophobicContact CB-CE2 3.6Å; Q1331-F1333 HydrophobicContact CB-CZ 4.11Å; Q1331-F1333 WeakPolarHBondContact O-CD2 3.13Å; Q1331-F1333 WeakPolarHBondContact O-CE2 3.38Å
1332Q78.3Confident61.8Low44 Ų4465.2 Ų65.221%0.20634%0.344CS..EExtended strand (participates in β ladder)trans-96.1148.4177.6-172.5174.316.900109.5W1308 N1309 N1358 P1359 F1455W1308-Q1332 CarbonylContact O-C 3.59Å; N1309-Q1332 WeakPolarHBondContact OD1-CA 3.41Å; N1309-Q1332 WeakPolarHBondContact OD1-CB 3.5Å; N1309-Q1332 WeakPolarHBondContact OD1-CG 3.22Å; Q1332-N1358 PolarHBondContact N-OD1 3.05Å; Q1332-N1358 WeakPolarHBondContact O-CA 3.49Å; Q1332-N1358 PolarHBondContact O-N 3.19Å; Q1332-N1358 PolarHBondContact O-OD1 3.42Å; Q1332-P1359 HydrophobicContact CG-CG 4.26Å; Q1332-F1455 VanDerWaalsContact CD-CZ 3.46Å; Q1332-F1455 VanDerWaalsContact NE2-CE2 3.33Å
1333F84.4Confident63.1Low0 Ų058.3 Ų58.30%032%0.318CS..EExtended strand (participates in β ladder)trans-136149.7-177.8-66.3-99.8000110.7L1307 W1308 T1310 Q1331 I1356 Q1357 I1858L1307-F1333 WeakPolarHBondContact CA-O 3.5Å; W1308-F1333 HydrophobicContact CD2-CB 3.71Å; W1308-F1333 HydrophobicContact CD2-CD2 4.42Å; W1308-F1333 HydrophobicContact CD2-CG 4.3Å; W1308-F1333 AromaticContact CE2-CG 3.92Å; W1308-F1333 HydrophobicContact CE3-CB 4.19Å; W1308-F1333 HydrophobicContact CE3-CD2 4.02Å; W1308-F1333 HydrophobicContact CE3-CG 4.31Å; W1308-F1333 HydrophobicContact CG-CB 4.24Å; W1308-F1333 HydrophobicContact CH2-CB 3.88Å; W1308-F1333 AromaticContact CH2-CD1 3.84Å; W1308-F1333 HydrophobicContact CH2-CD1 3.84Å; W1308-F1333 AromaticContact CH2-CD2 3.64Å; W1308-F1333 HydrophobicContact CH2-CD2 3.64Å; W1308-F1333 HydrophobicContact CH2-CE1 4.24Å; W1308-F1333 HydrophobicContact CH2-CE2 4.1Å; W1308-F1333 AromaticContact CH2-CG 3.51Å; W1308-F1333 HydrophobicContact CH2-CG 3.51Å; W1308-F1333 HydrophobicContact CH2-CZ 4.37Å; W1308-F1333 HydrophobicContact CZ2-CB 3.41Å; W1308-F1333 VanDerWaalsContact CZ2-CB 3.41Å; W1308-F1333 AromaticContact CZ2-CD1 3.85Å; W1308-F1333 HydrophobicContact CZ2-CD1 3.85Å; W1308-F1333 HydrophobicContact CZ2-CD2 4.11Å; W1308-F1333 AromaticContact CZ2-CG 3.53Å; W1308-F1333 HydrophobicContact CZ2-CG 3.53Å; W1308-F1333 HydrophobicContact CZ3-CB 4.25Å; W1308-F1333 AromaticContact CZ3-CD2 3.6Å; W1308-F1333 HydrophobicContact CZ3-CD2 3.6Å; W1308-F1333 HydrophobicContact CZ3-CE2 4.08Å; W1308-F1333 AromaticContact CZ3-CG 3.93Å; W1308-F1333 HydrophobicContact CZ3-CG 3.93Å; W1308-F1333 PolarHBondContact N-O 3.19Å; W1308-F1333 PolarHBondContact O-N 2.89Å; T1310-F1333 HydrophobicContact CG2-CD2 4.29Å; T1310-F1333 HydrophobicContact CG2-CE2 3.5Å; T1310-F1333 HydrophobicContact CG2-CZ 4.1Å; Q1331-F1333 HydrophobicContact CB-CD2 4.47Å; Q1331-F1333 HydrophobicContact CB-CE2 3.6Å; Q1331-F1333 HydrophobicContact CB-CZ 4.11Å; Q1331-F1333 WeakPolarHBondContact O-CD2 3.13Å; Q1331-F1333 WeakPolarHBondContact O-CE2 3.38Å; F1333-I1356 CarbonylContact C-O 3.54Å; F1333-I1356 WeakPolarHBondContact CA-O 3.17Å; F1333-Q1357 HydrophobicContact CD1-CB 3.88Å; F1333-Q1357 HydrophobicContact CD1-CG 4.15Å; F1333-Q1357 HydrophobicContact CE1-CB 3.66Å; F1333-Q1357 HydrophobicContact CE1-CG 3.58Å; F1333-Q1357 HydrophobicContact CZ-CB 4.38Å; F1333-Q1357 HydrophobicContact CZ-CG 3.79Å; F1333-I1858 HydrophobicContact CD1-CG1 4.2Å; F1333-I1858 HydrophobicContact CE1-CD1 4.07Å; F1333-I1858 HydrophobicContact CE1-CG1 3.78Å
1334A87.7Confident64.4Low0 Ų058.5 Ų58.50%031%0.313CS..EExtended strand (participates in β ladder)trans-125.5118175.400000110.9I1305 E1306 L1307 S1355 I1356 P1359 L1364I1305-A1334 HydrophobicContact CG2-CB 4.26Å; E1306-A1334 WeakPolarHBondContact O-CA 3.49Å; L1307-A1334 HydrophobicContact CD2-CB 3.87Å; A1334-S1355 WeakPolarHBondContact O-CA 3.17Å; A1334-I1356 HydrophobicContact CB-CB 4.47Å; A1334-I1356 PolarHBondContact N-O 2.85Å; A1334-I1356 PolarHBondContact O-N 3.23Å; A1334-P1359 HydrophobicContact CB-CB 3.78Å; A1334-P1359 HydrophobicContact CB-CG 3.97Å; A1334-L1364 HydrophobicContact CB-CD2 4.08Å
1335N89Confident65.4Low4 Ų457.6 Ų57.62%0.02131%0.306CS..EExtended strand (participates in β ladder)trans-88.6105.6171.8-67.8-12.5000108.7S1304 I1305 E1306 W1308 L1352 N1861S1304-N1335 VanDerWaalsContact O-O 3.13Å; I1305-N1335 WeakPolarHBondContact CA-O 3.33Å; E1306-N1335 HydrophobicContact CB-CB 4.13Å; E1306-N1335 PolarHBondContact N-O 2.88Å; E1306-N1335 PolarHBondContact O-N 3.46Å; E1306-N1335 PolarHBondContact OE2-ND2 3.4Å; W1308-N1335 PolarHBondContact NE1-ND2 3.2Å; W1308-N1335 VanDerWaalsContact NE1-ND2 3.19Å; W1308-N1335 PolarHBondContact NE1-OD1 2.99Å; N1335-L1352 HydrophobicContact CB-CD1 3.74Å; N1335-N1861 PolarHBondContact OD1-ND2 3.49Å
1336I92.2Very high66.7Low0 Ų051 Ų510%027%0.274CS..EExtended strand (participates in β ladder)trans-93.799.9176.9-56.7172.2000108.3F1303 S1304 I1305 Y1353 K1354 I1356 L1364 V1367 M1368F1303-I1336 HydrophobicContact CD1-CG2 4.19Å; S1304-I1336 WeakPolarHBondContact O-CA 3.28Å; I1305-I1336 HydrophobicContact CG1-CG1 4.36Å; I1336-Y1353 WeakPolarHBondContact O-CA 3.36Å; I1336-Y1353 PolarHBondContact O-N 3.16Å; I1336-K1354 PolarHBondContact N-O 2.71Å; I1336-K1354 PolarHBondContact O-N 3.43Å; I1336-K1354 VanDerWaalsContact O-N 3.12Å; I1336-I1356 HydrophobicContact CD1-CD1 3.61Å; I1336-I1356 HydrophobicContact CD1-CG1 4.28Å; I1336-L1364 HydrophobicContact CD1-CD2 4.03Å; I1336-L1364 HydrophobicContact CG1-CD2 4.49Å; I1336-V1367 HydrophobicContact CD1-CB 4.11Å; I1336-V1367 HydrophobicContact CD1-CG1 3.75Å; I1336-M1368 HydrophobicContact CG2-CG 4.41Å
1337G91.3Very high68Low4 Ų449.5 Ų49.54%0.04126%0.261CS..EExtended strand (participates in β ladder)trans-94.2152.2171.200000112.4F1303 S1304 Y1351F1303-G1337 CarbonylContact C-O 3.6Å; F1303-G1337 VanDerWaalsContact CA-O 3.26Å; F1303-G1337 WeakPolarHBondContact CA-O 3.27Å; S1304-G1337 PolarHBondContact N-O 2.91Å; S1304-G1337 PolarHBondContact O-N 3.29Å; S1304-G1337 WeakPolarHBondContact OG-CA 3.28Å; G1337-Y1351 CarbonylContact C-O 3.5Å; G1337-Y1351 WeakPolarHBondContact CA-O 3.44Å
1338I91.2Very high69.8Low0 Ų046.2 Ų46.20%024%0.241CC..EExtended strand (participates in β ladder)trans-118.8134.6172.7-175.6175000110.4L1287 F1301 F1303 Y1340 N1350 Y1351 L1375L1287-I1338 HydrophobicContact CD2-CD1 4.1Å; F1301-I1338 HydrophobicContact CB-CD1 4.25Å; F1301-I1338 HydrophobicContact CB-CG1 4.36Å; F1301-I1338 HydrophobicContact CD2-CD1 4.25Å; F1301-I1338 HydrophobicContact CG-CD1 4.46Å; F1303-I1338 HydrophobicContact CD1-CB 4.14Å; F1303-I1338 HydrophobicContact CD1-CG1 4.38Å; F1303-I1338 HydrophobicContact CE1-CB 4.23Å; F1303-I1338 HydrophobicContact CE1-CD1 4.31Å; F1303-I1338 HydrophobicContact CE1-CG1 4.29Å; I1338-Y1340 HydrophobicContact CD1-CD1 4.23Å; I1338-Y1340 HydrophobicContact CG1-CD1 4.24Å; I1338-N1350 WeakPolarHBondContact O-CA 3.37Å; I1338-Y1351 PolarHBondContact N-O 3.43Å; I1338-Y1351 PolarHBondContact O-N 2.65Å; I1338-L1375 HydrophobicContact CD1-CD1 3.6Å
1339H87.6Confident71.4Confident17 Ų1744.1 Ų44.18%0.07923%0.231CC..EExtended strand (participates in β ladder)trans-116.4128.1179.2-56-98.7000109.1F1301 S1302 S1304 H1349 N1350F1301-H1339 CarbonylContact C-O 3.12Å; F1301-H1339 VanDerWaalsContact CA-O 3.24Å; F1301-H1339 WeakPolarHBondContact CA-O 3.48Å; S1302-H1339 PolarHBondContact N-O 2.86Å; S1302-H1339 PolarHBondContact O-N 3.29Å; S1304-H1339 WeakPolarHBondContact CB-NE2 3.38Å; S1304-H1339 PolarHBondContact OG-NE2 3.47Å; H1339-H1349 WeakPolarHBondContact CA-O 3.45Å; H1339-N1350 PolarHBondContact ND1-ND2 3.03Å; H1339-N1350 PolarHBondContact ND1-OD1 3.14Å
1340Y82.4Confident73.1Confident7 Ų740.5 Ų40.53%0.02721%0.211CC..EExtended strand (participates in β ladder)trans-154.4160.3178.466.8-110.7000113.7L1287 R1290 I1338 T1348 H1349 Y1351L1287-Y1340 HydrophobicContact CD2-CD1 4.36Å; L1287-Y1340 HydrophobicContact CD2-CE1 3.67Å; R1290-Y1340 HydrophobicContact CG-CE2 4.42Å; R1290-Y1340 VanDerWaalsContact NE-CE2 3.3Å; R1290-Y1340 VanDerWaalsContact NH1-CD2 3.32Å; R1290-Y1340 VanDerWaalsContact NH2-CG 3.28Å; I1338-Y1340 HydrophobicContact CD1-CD1 4.23Å; I1338-Y1340 HydrophobicContact CG1-CD1 4.24Å; Y1340-T1348 CarbonylContact O-C 3.51Å; Y1340-T1348 WeakPolarHBondContact O-CA 3.21Å; Y1340-H1349 HydrophobicContact CD1-CB 4.41Å; Y1340-H1349 HydrophobicContact CD2-CB 3.79Å; Y1340-H1349 HydrophobicContact CE1-CB 4.12Å; Y1340-H1349 HydrophobicContact CE2-CB 3.44Å; Y1340-H1349 VanDerWaalsContact CE2-CB 3.44Å; Y1340-H1349 AromaticContact CE2-CG 3.53Å; Y1340-H1349 AromaticContact CE2-ND1 3.63Å; Y1340-H1349 HydrophobicContact CG-CB 4.29Å; Y1340-H1349 PolarHBondContact N-O 3.37Å; Y1340-H1349 PolarHBondContact O-N 3.47Å; Y1340-Y1351 AromaticContact CE1-CD2 3.91Å; Y1340-Y1351 HydrophobicContact CE1-CD2 3.91Å; Y1340-Y1351 HydrophobicContact CE1-CE2 4.08Å; Y1340-Y1351 AromaticContact CZ-CE2 3.86Å; Y1340-Y1351 WeakPolarHBondContact OH-CE2 3.44Å
1341N71.5Confident74.5Confident19 Ų1935 Ų3510%0.10219%0.187CC..EExtended strand (participates in β ladder)trans-97.4150169.9-17024.4000111.5R1290 I1347 Y1762R1290-N1341 PolarHBondContact NH1-O 3.06Å; N1341-I1347 PolarHBondContact OD1-O 3.06Å; N1341-Y1762 HydrophobicContact CB-CD1 4Å; N1341-Y1762 HydrophobicContact CB-CE1 3.94Å; N1341-Y1762 WeakPolarHBondContact ND2-CD1 3.37Å
1342S65.1Low75.4Confident26 Ų2632.7 Ų32.718%0.18218%0.176CC..  trans-112.8162.7167.592.10000111.3P1345 I1347 H1349S1342-P1345 PolarHBondContact OG-O 3.37Å; S1342-P1345 VanDerWaalsContact OG-O 3.11Å; S1342-I1347 PolarHBondContact N-O 3.25Å; S1342-H1349 PolarHBondContact OG-CE1 3.2Å
1343S54.8Low76Confident30 Ų3030.9 Ų30.921%0.2117%0.168CC..SBendtrans-83.8-16.2-17059.90000115S1294 Q1766S1294-S1343 WeakPolarHBondContact CB-OG 3.37Å; S1343-Q1766 PolarHBondContact O-NE2 3.29Å
1344Q51.5Low76.4Confident165 Ų16533.1 Ų33.177%0.77118%0.178SC*.SBendtrans-171122.2176.5-114.8158.910.300111.3
1345P45.1Very low76.5Confident90 Ų9033.5 Ų33.558%0.58418%0.18SC*.SBendcis-61.1167.2-15.8-12.728.7000111.2S1342 I1347S1342-P1345 PolarHBondContact OG-O 3.37Å; S1342-P1345 VanDerWaalsContact OG-O 3.11Å; P1345-I1347 VanDerWaalsContact C-N 3.34Å; P1345-I1347 HydrophobicContact CB-CD1 4.18Å; P1345-I1347 HydrophobicContact CB-CG1 4.18Å; P1345-I1347 HydrophobicContact CG-CD1 4.1Å; P1345-I1347 PolarHBondContact O-N 3.03Å
1346T52.7Low76.5Confident23 Ų2334.1 Ų34.114%0.14118%0.184CC..  trans-72.193.3169.7470000109.2D1760 Q1763T1346-D1760 PolarHBondContact OG1-OD2 3.09Å; T1346-Q1763 HydrophobicContact CG2-CG 4.39Å; T1346-Q1763 WeakPolarHBondContact OG1-CG 3.47Å; T1346-Q1763 PolarHBondContact OG1-NE2 2.9Å
1347I58.2Low76.2Confident78 Ų7837.9 Ų37.940%0.420%0.201SC..  trans-116.4123.2175-65.9167.7000106.9N1341 S1342 P1345 H1349N1341-I1347 PolarHBondContact OD1-O 3.06Å; S1342-I1347 PolarHBondContact N-O 3.25Å; P1345-I1347 VanDerWaalsContact C-N 3.34Å; P1345-I1347 HydrophobicContact CB-CD1 4.18Å; P1345-I1347 HydrophobicContact CB-CG1 4.18Å; P1345-I1347 HydrophobicContact CG-CD1 4.1Å; P1345-I1347 PolarHBondContact O-N 3.03Å; I1347-H1349 PolarHBondContact O-CE1 3.35Å; I1347-H1349 PolarHBondContact O-N 3.21Å; I1347-H1349 PolarHBondContact O-ND1 3.22Å
1348T66.7Low76.1Confident52 Ų5241.9 Ų41.932%0.31922%0.221SC..EExtended strand (participates in β ladder)trans-69.3108.516147.10000108Y1340 I1601 Y1762Y1340-T1348 CarbonylContact O-C 3.51Å; Y1340-T1348 WeakPolarHBondContact O-CA 3.21Å; T1348-I1601 HydrophobicContact CG2-CG2 4.42Å; T1348-Y1762 HydrophobicContact CG2-CD2 4.02Å; T1348-Y1762 HydrophobicContact CG2-CE2 3.24Å
1349H73.7Confident76Confident39 Ų3942.3 Ų42.318%0.18122%0.224CC..EExtended strand (participates in β ladder)trans-94121176.9-62.374.6000108.8H1339 Y1340 S1342 I1347 Y1351H1339-H1349 WeakPolarHBondContact CA-O 3.45Å; Y1340-H1349 HydrophobicContact CD1-CB 4.41Å; Y1340-H1349 HydrophobicContact CD2-CB 3.79Å; Y1340-H1349 HydrophobicContact CE1-CB 4.12Å; Y1340-H1349 HydrophobicContact CE2-CB 3.44Å; Y1340-H1349 VanDerWaalsContact CE2-CB 3.44Å; Y1340-H1349 AromaticContact CE2-CG 3.53Å; Y1340-H1349 AromaticContact CE2-ND1 3.63Å; Y1340-H1349 HydrophobicContact CG-CB 4.29Å; Y1340-H1349 PolarHBondContact N-O 3.37Å; Y1340-H1349 PolarHBondContact O-N 3.47Å; S1342-H1349 PolarHBondContact OG-CE1 3.2Å; I1347-H1349 PolarHBondContact O-CE1 3.35Å; I1347-H1349 PolarHBondContact O-N 3.21Å; I1347-H1349 PolarHBondContact O-ND1 3.22Å; H1349-Y1351 HydrophobicContact CB-CD2 4.06Å; H1349-Y1351 HydrophobicContact CB-CE2 3.6Å; H1349-Y1351 AromaticContact CD2-CE2 3.94Å; H1349-Y1351 PolarHBondContact CD2-OH 3.3Å
1350N82.7Confident76.1Confident59 Ų5944.8 Ų44.832%0.31624%0.238SC..EExtended strand (participates in β ladder)trans-12396.9-176.6-59.2-1.9000107.4I1338 H1339I1338-N1350 WeakPolarHBondContact O-CA 3.37Å; H1339-N1350 PolarHBondContact ND1-ND2 3.03Å; H1339-N1350 PolarHBondContact ND1-OD1 3.14Å
1351Y87.3Confident76.5Confident19 Ų1948.9 Ų48.98%0.07525%0.253CS..EExtended strand (participates in β ladder)trans-108.9149-175.8-67.9-72000111.1L1283 G1337 I1338 Y1340 H1349 Y1353 H1868 L1869L1283-Y1351 HydrophobicContact CD1-CD1 3.84Å; L1283-Y1351 HydrophobicContact CD1-CD2 3.64Å; L1283-Y1351 HydrophobicContact CD1-CE1 4.24Å; L1283-Y1351 HydrophobicContact CD1-CE2 4.05Å; L1283-Y1351 HydrophobicContact CD1-CG 3.51Å; G1337-Y1351 CarbonylContact C-O 3.5Å; G1337-Y1351 WeakPolarHBondContact CA-O 3.44Å; I1338-Y1351 PolarHBondContact N-O 3.43Å; I1338-Y1351 PolarHBondContact O-N 2.65Å; Y1340-Y1351 AromaticContact CE1-CD2 3.91Å; Y1340-Y1351 HydrophobicContact CE1-CD2 3.91Å; Y1340-Y1351 HydrophobicContact CE1-CE2 4.08Å; Y1340-Y1351 AromaticContact CZ-CE2 3.86Å; Y1340-Y1351 WeakPolarHBondContact OH-CE2 3.44Å; H1349-Y1351 HydrophobicContact CB-CD2 4.06Å; H1349-Y1351 HydrophobicContact CB-CE2 3.6Å; H1349-Y1351 AromaticContact CD2-CE2 3.94Å; H1349-Y1351 PolarHBondContact CD2-OH 3.3Å; Y1351-Y1353 PolarHBondContact O-N 2.91Å; Y1351-H1868 AromaticContact CD1-NE2 3.6Å; Y1351-H1868 AromaticContact CE1-NE2 3.17Å; Y1351-H1868 WeakPolarHBondContact CE1-NE2 3.19Å; Y1351-L1869 HydrophobicContact CD1-CD1 4.05Å; Y1351-L1869 HydrophobicContact CD1-CG 4.45Å; Y1351-L1869 HydrophobicContact CE1-CD1 3.72Å; Y1351-L1869 HydrophobicContact CE1-CD2 3.7Å; Y1351-L1869 HydrophobicContact CE1-CG 3.79Å
1352L90.2Very high77.5Confident10 Ų1053 Ų535%0.05228%0.28CS..EExtended strand (participates in β ladder)trans-80.6113.1162.7-168.675.8000108.4N1335 Y1862 H1865 N1866N1335-L1352 HydrophobicContact CB-CD1 3.74Å; L1352-Y1862 HydrophobicContact CD2-CD2 4.11Å; L1352-Y1862 HydrophobicContact CG-CD2 4.43Å; L1352-Y1862 WeakPolarHBondContact O-CE2 3.1Å; L1352-H1865 HydrophobicContact CB-CB 3.7Å; L1352-H1865 HydrophobicContact CD2-CB 4.38Å; L1352-N1866 PolarHBondContact N-OD1 2.64Å; L1352-N1866 PolarHBondContact O-ND2 3.07Å
1353Y91.7Very high78.8Confident7 Ų753.5 Ų53.53%0.02728%0.28CS..EExtended strand (participates in β ladder)trans-80.8-38.5179-179.9-103.7000112.1L1283 L1287 I1336 Y1351 V1367 C1371 Y1862L1283-Y1353 HydrophobicContact CD2-CD2 4.49Å; L1287-Y1353 HydrophobicContact CD1-CD2 3.73Å; L1287-Y1353 HydrophobicContact CD1-CE2 3.77Å; I1336-Y1353 WeakPolarHBondContact O-CA 3.36Å; I1336-Y1353 PolarHBondContact O-N 3.16Å; Y1351-Y1353 PolarHBondContact O-N 2.91Å; Y1353-V1367 HydrophobicContact CD1-CG1 3.73Å; Y1353-V1367 HydrophobicContact CE1-CG1 3.69Å; Y1353-V1367 VanDerWaalsContact CE1-O 3.3Å; Y1353-V1367 WeakPolarHBondContact CE1-O 3.48Å; Y1353-C1371 HydrophobicContact CD1-CB 3.81Å; Y1353-C1371 HydrophobicContact CD2-CB 4.34Å; Y1353-C1371 VanDerWaalsContact CD2-SG 3.53Å; Y1353-C1371 HydrophobicContact CE1-CB 3.46Å; Y1353-C1371 VanDerWaalsContact CE1-CB 3.46Å; Y1353-C1371 HydrophobicContact CE2-CB 4.03Å; Y1353-C1371 HydrophobicContact CG-CB 4.23Å; Y1353-C1371 PolarHBondContact OH-N 3.35Å; Y1353-Y1862 WeakPolarHBondContact O-CE2 3.4Å
1354K91.9Very high80.5Confident46 Ų4652 Ų5220%0.227%0.27CS..EExtended strand (participates in β ladder)trans-156.9161.5170.3-144.564.8173173.10112.2Y1276 E1280 I1336 V1367Y1276-K1354 WeakPolarHBondContact OH-CE 3.31Å; Y1276-K1354 PolarHBondContact OH-NZ 2.87Å; E1280-K1354 IonicContact OE1-NZ 3.28Å; E1280-K1354 PolarHBondContact OE1-NZ 2.99Å; E1280-K1354 IonicContact OE2-NZ 3.06Å; E1280-K1354 PolarHBondContact OE2-NZ 2.99Å; I1336-K1354 PolarHBondContact N-O 2.71Å; I1336-K1354 PolarHBondContact O-N 3.43Å; I1336-K1354 VanDerWaalsContact O-N 3.12Å; K1354-V1367 HydrophobicContact CB-CG1 3.68Å; K1354-V1367 HydrophobicContact CG-CG1 4.32Å
1355S89.1Confident82.4Confident8 Ų845.7 Ų45.76%0.05624%0.241CC..EExtended strand (participates in β ladder)trans-121.4127.6167.9179.80000107.3A1334 I1858 N1861A1334-S1355 WeakPolarHBondContact O-CA 3.17Å; S1355-I1858 WeakPolarHBondContact O-CG2 3.41Å; S1355-N1861 WeakPolarHBondContact CB-ND2 3.22Å; S1355-N1861 PolarHBondContact OG-ND2 2.64Å
1356I88.8Confident84.7Confident18 Ų1847.3 Ų47.39%0.09224%0.241CC..EExtended strand (participates in β ladder)trans-114.7142.1-177.9-60.3-177.9000109.1F1333 A1334 I1336 P1359 N1363 L1364 V1367F1333-I1356 CarbonylContact C-O 3.54Å; F1333-I1356 WeakPolarHBondContact CA-O 3.17Å; A1334-I1356 HydrophobicContact CB-CB 4.47Å; A1334-I1356 PolarHBondContact N-O 2.85Å; A1334-I1356 PolarHBondContact O-N 3.23Å; I1336-I1356 HydrophobicContact CD1-CD1 3.61Å; I1336-I1356 HydrophobicContact CD1-CG1 4.28Å; I1356-P1359 HydrophobicContact CG2-CB 4.44Å; I1356-N1363 HydrophobicContact CD1-CB 4.44Å; I1356-N1363 WeakPolarHBondContact CD1-O 3.24Å; I1356-L1364 HydrophobicContact CD1-CD2 4.33Å; I1356-V1367 HydrophobicContact CD1-CB 4.31Å; I1356-V1367 HydrophobicContact CD1-CG2 3.92Å
1357Q87.2Confident86.5Confident79 Ų7947.2 Ų47.237%0.36924%0.241SC..EExtended strand (participates in β ladder)trans-101.1139.3169-176.1-1783600109.1F1333 I1858F1333-Q1357 HydrophobicContact CD1-CB 3.88Å; F1333-Q1357 HydrophobicContact CD1-CG 4.15Å; F1333-Q1357 HydrophobicContact CE1-CB 3.66Å; F1333-Q1357 HydrophobicContact CE1-CG 3.58Å; F1333-Q1357 HydrophobicContact CZ-CB 4.38Å; F1333-Q1357 HydrophobicContact CZ-CG 3.79Å; Q1357-I1858 HydrophobicContact CB-CD1 3.9Å
1358N88Confident88.1Confident87 Ų8743.9 Ų43.947%0.46522%0.223SC..SBendtrans4768.1-174-60-27.5000112.1Q1332 N1363Q1332-N1358 PolarHBondContact N-OD1 3.05Å; Q1332-N1358 WeakPolarHBondContact O-CA 3.49Å; Q1332-N1358 PolarHBondContact O-N 3.19Å; Q1332-N1358 PolarHBondContact O-OD1 3.42Å; N1358-N1363 PolarHBondContact O-ND2 3.35Å
1359P89.1Confident89.2Confident10 Ų1044.1 Ų44.17%0.06522%0.223CC..  trans-61.5139.2-176.527-35.9000112.3L1307 Q1332 A1334 I1356 L1364 F1455L1307-P1359 HydrophobicContact CD2-CG 3.87Å; Q1332-P1359 HydrophobicContact CG-CG 4.26Å; A1334-P1359 HydrophobicContact CB-CB 3.78Å; A1334-P1359 HydrophobicContact CB-CG 3.97Å; I1356-P1359 HydrophobicContact CG2-CB 4.44Å; P1359-L1364 HydrophobicContact CB-CD1 4.31Å; P1359-L1364 HydrophobicContact CB-CD2 4.03Å; P1359-L1364 HydrophobicContact CB-CG 4.18Å; P1359-F1455 HydrophobicContact CG-CE1 4.1Å; P1359-F1455 HydrophobicContact CG-CZ 4.24Å
1360N91.2Very high90Very high69 Ų6947.5 Ų47.537%0.36924%0.237SC..  trans-140171.4175.866.851.6000110.2T1362 N1363 L1364N1360-T1362 VanDerWaalsContact C-N 3.29Å; N1360-T1362 PolarHBondContact O-N 3.01Å; N1360-T1362 PolarHBondContact OD1-N 2.8Å; N1360-N1363 PolarHBondContact N-OD1 3.04Å; N1360-N1363 PolarHBondContact ND2-ND2 3.25Å; N1360-N1363 PolarHBondContact O-N 2.99Å; N1360-N1363 PolarHBondContact O-OD1 3.28Å; N1360-N1363 PolarHBondContact OD1-N 3.24Å; N1360-L1364 WeakPolarHBondContact O-CB 3.22Å; N1360-L1364 VanDerWaalsContact O-CG 3.27Å; N1360-L1364 WeakPolarHBondContact O-CG 3.37Å; N1360-L1364 PolarHBondContact O-N 3.29Å; N1360-L1364 VanDerWaalsContact O-N 3.12Å
1361R91.2Very high90.3Very high92 Ų9244.7 Ų44.735%0.34722%0.222SC..Hα-helixtrans-53.7-45.4-177.3-175.6171.5176.4150.9-5.6112.6L1365 L1459 E1464R1361-L1365 HydrophobicContact CG-CD1 3.74Å; R1361-L1365 HydrophobicContact CG-CG 4.45Å; R1361-L1365 WeakPolarHBondContact O-CB 3.48Å; R1361-L1365 VanDerWaalsContact O-CG 3.3Å; R1361-L1365 WeakPolarHBondContact O-CG 3.32Å; R1361-L1365 PolarHBondContact O-N 3.17Å; R1361-L1365 VanDerWaalsContact O-N 3.12Å; R1361-L1459 WeakPolarHBondContact CB-O 3.41Å; R1361-L1459 WeakPolarHBondContact CD-O 3.46Å; R1361-L1459 WeakPolarHBondContact CG-O 3.36Å; R1361-E1464 IonicContact CZ-OE2 2.79Å; R1361-E1464 VanDerWaalsContact CZ-OE2 3.24Å; R1361-E1464 IonicContact NH1-OE2 3.94Å; R1361-E1464 PolarHBondContact NH1-OE2 3.16Å; R1361-E1464 IonicContact NH2-OE2 3.8Å; R1361-E1464 PolarHBondContact NH2-OE2 3.16Å
1362T90.8Very high90.1Very high106 Ų10647.6 Ų47.665%0.6523%0.232SC*.Hα-helixtrans-67.9-50.3-174.3-47.20000111.7N1360 L1365 E1366N1360-T1362 VanDerWaalsContact C-N 3.29Å; N1360-T1362 PolarHBondContact O-N 3.01Å; N1360-T1362 PolarHBondContact OD1-N 2.8Å; T1362-L1365 PolarHBondContact O-N 3.5Å; T1362-E1366 WeakPolarHBondContact O-CB 3.37Å; T1362-E1366 PolarHBondContact O-N 3.34Å
1363N92.5Very high89.8Confident36 Ų3653.5 Ų53.519%0.19326%0.26CS..Hα-helixtrans-73.1-29.4-175.868.619.1000113.2I1356 N1358 N1360 V1367I1356-N1363 HydrophobicContact CD1-CB 4.44Å; I1356-N1363 WeakPolarHBondContact CD1-O 3.24Å; N1358-N1363 PolarHBondContact O-ND2 3.35Å; N1360-N1363 PolarHBondContact N-OD1 3.04Å; N1360-N1363 PolarHBondContact ND2-ND2 3.25Å; N1360-N1363 PolarHBondContact O-N 2.99Å; N1360-N1363 PolarHBondContact O-OD1 3.28Å; N1360-N1363 PolarHBondContact OD1-N 3.24Å; N1363-V1367 WeakPolarHBondContact O-CG2 3.44Å; N1363-V1367 PolarHBondContact O-N 3.13Å
1364L91.9Very high89.4Confident0 Ų056.4 Ų56.40%027%0.271CS..Hα-helixtrans-65.3-52.7170.1-69.4173.7000111.1A1334 I1336 I1356 P1359 N1360 V1367 M1368 L1456 L1459 I1460A1334-L1364 HydrophobicContact CB-CD2 4.08Å; I1336-L1364 HydrophobicContact CD1-CD2 4.03Å; I1336-L1364 HydrophobicContact CG1-CD2 4.49Å; I1356-L1364 HydrophobicContact CD1-CD2 4.33Å; P1359-L1364 HydrophobicContact CB-CD1 4.31Å; P1359-L1364 HydrophobicContact CB-CD2 4.03Å; P1359-L1364 HydrophobicContact CB-CG 4.18Å; N1360-L1364 WeakPolarHBondContact O-CB 3.22Å; N1360-L1364 VanDerWaalsContact O-CG 3.27Å; N1360-L1364 WeakPolarHBondContact O-CG 3.37Å; N1360-L1364 PolarHBondContact O-N 3.29Å; N1360-L1364 VanDerWaalsContact O-N 3.12Å; L1364-V1367 PolarHBondContact O-N 2.8Å; L1364-M1368 WeakPolarHBondContact O-CB 3.23Å; L1364-M1368 VanDerWaalsContact O-CG 3.31Å; L1364-M1368 WeakPolarHBondContact O-CG 3.36Å; L1364-M1368 PolarHBondContact O-N 2.96Å; L1364-M1368 VanDerWaalsContact O-N 3.07Å; L1364-L1456 HydrophobicContact CD1-CD1 3.93Å; L1364-L1459 HydrophobicContact CD1-CB 4.36Å; L1364-L1459 HydrophobicContact CD1-CD1 3.65Å; L1364-I1460 HydrophobicContact CB-CD1 4.11Å; L1364-I1460 HydrophobicContact CD1-CD1 4.06Å; L1364-I1460 HydrophobicContact CD1-CG1 4.43Å
1365L90.9Very high88.7Confident31 Ų3154.8 Ų54.816%0.16226%0.264CS..Hα-helixtrans-65.5-42.5-177.9-70.7176.5000112.3R1361 T1362 V1367 M1368 D1369 I1460 I1467R1361-L1365 HydrophobicContact CG-CD1 3.74Å; R1361-L1365 HydrophobicContact CG-CG 4.45Å; R1361-L1365 WeakPolarHBondContact O-CB 3.48Å; R1361-L1365 VanDerWaalsContact O-CG 3.3Å; R1361-L1365 WeakPolarHBondContact O-CG 3.32Å; R1361-L1365 PolarHBondContact O-N 3.17Å; R1361-L1365 VanDerWaalsContact O-N 3.12Å; T1362-L1365 PolarHBondContact O-N 3.5Å; L1365-V1367 PolarHBondContact O-N 3.36Å; L1365-M1368 HydrophobicContact CD2-CE 4.47Å; L1365-M1368 PolarHBondContact O-N 3.43Å; L1365-D1369 WeakPolarHBondContact O-CB 3.28Å; L1365-D1369 PolarHBondContact O-N 2.79Å; L1365-I1460 HydrophobicContact CD2-CD1 4.34Å; L1365-I1460 HydrophobicContact CD2-CG2 4.23Å; L1365-I1467 HydrophobicContact CD2-CD1 4.15Å
1366E92.3Very high88Confident124 Ų12455.4 Ų55.458%0.57927%0.267SS*.Hα-helixtrans-56.7-48.2177.4-172-160.2146.600111.7T1362 K1370T1362-E1366 WeakPolarHBondContact O-CB 3.37Å; T1362-E1366 PolarHBondContact O-N 3.34Å; E1366-K1370 WeakPolarHBondContact O-CB 3.36Å; E1366-K1370 PolarHBondContact O-N 2.8Å
1367V92.2Very high86.9Confident22 Ų2256.8 Ų56.813%0.13328%0.278CS..Hα-helixtrans-66.2-41.7-179.3170.90000111.1I1336 Y1353 K1354 I1356 N1363 L1364 L1365 C1371I1336-V1367 HydrophobicContact CD1-CB 4.11Å; I1336-V1367 HydrophobicContact CD1-CG1 3.75Å; Y1353-V1367 HydrophobicContact CD1-CG1 3.73Å; Y1353-V1367 HydrophobicContact CE1-CG1 3.69Å; Y1353-V1367 VanDerWaalsContact CE1-O 3.3Å; Y1353-V1367 WeakPolarHBondContact CE1-O 3.48Å; K1354-V1367 HydrophobicContact CB-CG1 3.68Å; K1354-V1367 HydrophobicContact CG-CG1 4.32Å; I1356-V1367 HydrophobicContact CD1-CB 4.31Å; I1356-V1367 HydrophobicContact CD1-CG2 3.92Å; N1363-V1367 WeakPolarHBondContact O-CG2 3.44Å; N1363-V1367 PolarHBondContact O-N 3.13Å; L1364-V1367 PolarHBondContact O-N 2.8Å; L1365-V1367 PolarHBondContact O-N 3.36Å; V1367-C1371 PolarHBondContact O-N 2.99Å
1368M90.8Very high85.5Confident7 Ų756 Ų563%0.03427%0.273CS..Hα-helixtrans-67.8-45.3178.2-73.7163.34500112.7F1303 I1305 I1336 L1364 L1365 C1371 R1372 I1448 I1467F1303-M1368 HydrophobicContact CD2-CE 4.33Å; F1303-M1368 HydrophobicContact CD2-CG 4.23Å; F1303-M1368 HydrophobicContact CE2-CB 4.05Å; F1303-M1368 HydrophobicContact CE2-CE 4.5Å; F1303-M1368 HydrophobicContact CE2-CG 4.08Å; F1303-M1368 HydrophobicContact CZ-CB 4.28Å; F1303-M1368 HydrophobicContact CZ-CG 4.36Å; I1305-M1368 HydrophobicContact CD1-SD 3.86Å; I1336-M1368 HydrophobicContact CG2-CG 4.41Å; L1364-M1368 WeakPolarHBondContact O-CB 3.23Å; L1364-M1368 VanDerWaalsContact O-CG 3.31Å; L1364-M1368 WeakPolarHBondContact O-CG 3.36Å; L1364-M1368 PolarHBondContact O-N 2.96Å; L1364-M1368 VanDerWaalsContact O-N 3.07Å; L1365-M1368 HydrophobicContact CD2-CE 4.47Å; L1365-M1368 PolarHBondContact O-N 3.43Å; M1368-C1371 WeakPolarHBondContact O-CB 3.24Å; M1368-C1371 PolarHBondContact O-N 3.48Å; M1368-R1372 WeakPolarHBondContact O-CB 3.28Å; M1368-R1372 PolarHBondContact O-N 3.49Å; M1368-I1448 HydrophobicContact CE-CD1 3.39Å; M1368-I1448 HydrophobicContact SD-CD1 4.23Å; M1368-I1467 HydrophobicContact CE-CD1 3.49Å; M1368-I1467 VanDerWaalsContact CE-CD1 3.49Å; M1368-I1467 HydrophobicContact CE-CG1 4.46Å
1369D89.3Confident83.8Confident58 Ų5852.6 Ų52.631%0.3126%0.255SS..Hα-helixtrans-68.3-34.4177.8-89.3-31.9000111.9L1365 R1372 Q1373L1365-D1369 WeakPolarHBondContact O-CB 3.28Å; L1365-D1369 PolarHBondContact O-N 2.79Å; D1369-R1372 PolarHBondContact O-N 3.45Å; D1369-R1372 WeakPolarHBondContact OD1-CD 3.46Å; D1369-R1372 IonicContact OD1-CZ 2.75Å; D1369-R1372 IonicContact OD1-NE 2.73Å; D1369-R1372 IonicContact OD1-NH1 3.97Å; D1369-R1372 PolarHBondContact OD1-NH1 3.1Å; D1369-Q1373 VanDerWaalsContact O-CB 3.3Å; D1369-Q1373 WeakPolarHBondContact O-CB 3.36Å; D1369-Q1373 WeakPolarHBondContact O-CG 3.27Å; D1369-Q1373 PolarHBondContact O-N 2.84Å
1370K90.5Very high81.6Confident110 Ų11059 Ų5948%0.47828%0.284SS..Hα-helixtrans-61.9-42.8170.4-172.9176.3-176.5175.80111.8E1366 R1374E1366-K1370 WeakPolarHBondContact O-CB 3.36Å; E1366-K1370 PolarHBondContact O-N 2.8Å; K1370-R1374 WeakPolarHBondContact O-CG 3.23Å; K1370-R1374 PolarHBondContact O-N 2.94Å; K1370-R1374 VanDerWaalsContact O-N 3.13Å
1371C89.3Confident78.9Confident0 Ų062.7 Ų62.70%030%0.303CS..Hα-helixtrans-63.7-46.1175.6-161.90000111.8F1303 Y1353 V1367 M1368 R1374 L1375F1303-C1371 HydrophobicContact CE1-CB 4.03Å; F1303-C1371 HydrophobicContact CZ-CB 3.97Å; Y1353-C1371 HydrophobicContact CD1-CB 3.81Å; Y1353-C1371 HydrophobicContact CD2-CB 4.34Å; Y1353-C1371 VanDerWaalsContact CD2-SG 3.53Å; Y1353-C1371 HydrophobicContact CE1-CB 3.46Å; Y1353-C1371 VanDerWaalsContact CE1-CB 3.46Å; Y1353-C1371 HydrophobicContact CE2-CB 4.03Å; Y1353-C1371 HydrophobicContact CG-CB 4.23Å; Y1353-C1371 PolarHBondContact OH-N 3.35Å; V1367-C1371 PolarHBondContact O-N 2.99Å; M1368-C1371 WeakPolarHBondContact O-CB 3.24Å; M1368-C1371 PolarHBondContact O-N 3.48Å; C1371-R1374 WeakPolarHBondContact O-CB 3.48Å; C1371-R1374 PolarHBondContact O-N 2.82Å; C1371-L1375 WeakPolarHBondContact O-CG 3.36Å; C1371-L1375 PolarHBondContact O-N 3.46Å; C1371-L1375 VanDerWaalsContact O-N 3.17Å
1372R84.3Confident76Confident79 Ų7963.3 Ų63.330%0.29832%0.317SS..Hα-helixtrans-60.6-46.4176174.5-179.6169.8-146.75.5111.7F1301 M1368 D1369 R1374 L1375 L1376F1301-R1372 HydrophobicContact CZ-CB 4.44Å; F1301-R1372 HydrophobicContact CZ-CG 4.32Å; M1368-R1372 WeakPolarHBondContact O-CB 3.28Å; M1368-R1372 PolarHBondContact O-N 3.49Å; D1369-R1372 PolarHBondContact O-N 3.45Å; D1369-R1372 WeakPolarHBondContact OD1-CD 3.46Å; D1369-R1372 IonicContact OD1-CZ 2.75Å; D1369-R1372 IonicContact OD1-NE 2.73Å; D1369-R1372 IonicContact OD1-NH1 3.97Å; D1369-R1372 PolarHBondContact OD1-NH1 3.1Å; R1372-R1374 VanDerWaalsContact C-N 3.35Å; R1372-R1374 PolarHBondContact O-N 3.34Å; R1372-L1375 PolarHBondContact O-N 3.47Å; R1372-L1376 HydrophobicContact CG-CD1 3.72Å; R1372-L1376 WeakPolarHBondContact O-CB 3.29Å; R1372-L1376 WeakPolarHBondContact O-CG 3.47Å; R1372-L1376 PolarHBondContact O-N 2.87Å
1373Q82.2Confident73Confident135 Ų13564 Ų6463%0.63132%0.321SS*.Hα-helixtrans-59.5-43176.5-76.5171.928.600111.6D1369 L1375 L1376 S1377D1369-Q1373 VanDerWaalsContact O-CB 3.3Å; D1369-Q1373 WeakPolarHBondContact O-CB 3.36Å; D1369-Q1373 WeakPolarHBondContact O-CG 3.27Å; D1369-Q1373 PolarHBondContact O-N 2.84Å; Q1373-L1375 PolarHBondContact O-N 3.12Å; Q1373-L1376 PolarHBondContact O-N 3.3Å; Q1373-S1377 WeakPolarHBondContact O-CA 3.34Å; Q1373-S1377 VanDerWaalsContact O-CB 3.31Å; Q1373-S1377 WeakPolarHBondContact O-CB 3.41Å; Q1373-S1377 PolarHBondContact O-N 2.92Å
1374R84.4Confident69.9Low68 Ų6869.7 Ų69.726%0.25735%0.352SS..Hα-helixtrans-56.1-52.6174.1-76.7-167.8167.9-73.811.7112.5N1284 D1288 K1370 C1371 R1372 L1376 S1377N1284-R1374 VanDerWaalsContact CG-NE 3.35Å; N1284-R1374 VanDerWaalsContact OD1-CD 3.22Å; N1284-R1374 WeakPolarHBondContact OD1-CD 3.46Å; N1284-R1374 PolarHBondContact OD1-NE 3.1Å; D1288-R1374 WeakPolarHBondContact OD1-CB 3.33Å; D1288-R1374 WeakPolarHBondContact OD1-CD 3.43Å; D1288-R1374 WeakPolarHBondContact OD1-CG 3.37Å; D1288-R1374 IonicContact OD1-CZ 3.52Å; D1288-R1374 IonicContact OD1-NH1 3.9Å; D1288-R1374 PolarHBondContact OD1-NH1 3.43Å; D1288-R1374 IonicContact OD2-CZ 2.74Å; D1288-R1374 IonicContact OD2-NH1 2.73Å; D1288-R1374 PolarHBondContact OD2-NH1 3.25Å; K1370-R1374 WeakPolarHBondContact O-CG 3.23Å; K1370-R1374 PolarHBondContact O-N 2.94Å; K1370-R1374 VanDerWaalsContact O-N 3.13Å; C1371-R1374 WeakPolarHBondContact O-CB 3.48Å; C1371-R1374 PolarHBondContact O-N 2.82Å; R1372-R1374 VanDerWaalsContact C-N 3.35Å; R1372-R1374 PolarHBondContact O-N 3.34Å; R1374-L1376 PolarHBondContact O-N 2.98Å; R1374-S1377 WeakPolarHBondContact O-CB 3.32Å; R1374-S1377 PolarHBondContact O-N 3.32Å; R1374-S1377 PolarHBondContact O-OG 2.85Å
1375L77.7Confident66.9Low11 Ų1179.1 Ų79.16%0.05840%0.396CS..Hα-helixtrans-59.5-31.8179.6-69.1164000113.8L1287 R1290 F1301 I1338 C1371 R1372 Q1373L1287-L1375 HydrophobicContact CB-CD2 4.42Å; L1287-L1375 HydrophobicContact CD2-CD2 3.77Å; L1287-L1375 HydrophobicContact CD2-CG 4.47Å; R1290-L1375 VanDerWaalsContact NH2-CD2 3.25Å; F1301-L1375 HydrophobicContact CD1-CD1 3.87Å; F1301-L1375 HydrophobicContact CD2-CD1 3.98Å; F1301-L1375 HydrophobicContact CE1-CD1 3.95Å; F1301-L1375 HydrophobicContact CE2-CD1 4.04Å; F1301-L1375 HydrophobicContact CG-CD1 3.9Å; F1301-L1375 HydrophobicContact CZ-CD1 4.03Å; I1338-L1375 HydrophobicContact CD1-CD1 3.6Å; C1371-L1375 WeakPolarHBondContact O-CG 3.36Å; C1371-L1375 PolarHBondContact O-N 3.46Å; C1371-L1375 VanDerWaalsContact O-N 3.17Å; R1372-L1375 PolarHBondContact O-N 3.47Å; Q1373-L1375 PolarHBondContact O-N 3.12Å
1376L73.1Confident63.8Low22 Ų2284.9 Ų84.912%0.11543%0.427CS..Hα-helixtrans-100.8-11.9-175-55.6177.6000113.4P1299 R1372 Q1373 R1374 K1378 L1379 M1442P1299-L1376 HydrophobicContact CB-CD2 3.89Å; P1299-L1376 HydrophobicContact CG-CD2 4.33Å; R1372-L1376 HydrophobicContact CG-CD1 3.72Å; R1372-L1376 WeakPolarHBondContact O-CB 3.29Å; R1372-L1376 WeakPolarHBondContact O-CG 3.47Å; R1372-L1376 PolarHBondContact O-N 2.87Å; Q1373-L1376 PolarHBondContact O-N 3.3Å; R1374-L1376 PolarHBondContact O-N 2.98Å; L1376-K1378 PolarHBondContact O-N 3.5Å; L1376-L1379 HydrophobicContact CD2-CD1 4.17Å; L1376-L1379 WeakPolarHBondContact O-CB 3.49Å; L1376-L1379 PolarHBondContact O-N 3.19Å; L1376-M1442 HydrophobicContact CB-CE 4.41Å; L1376-M1442 HydrophobicContact CB-SD 4.48Å; L1376-M1442 HydrophobicContact CD1-SD 3.89Å; L1376-M1442 HydrophobicContact CD2-CE 3.8Å; L1376-M1442 HydrophobicContact CD2-CG 4.31Å; L1376-M1442 HydrophobicContact CD2-SD 3.92Å; L1376-M1442 HydrophobicContact CG-SD 4.3Å
1377S66.6Low60.6Low46 Ų4688 Ų8832%0.32244%0.444SS..Hα-helixtrans-50-48.3-174.659.80000113.9Q1373 R1374 L1379Q1373-S1377 WeakPolarHBondContact O-CA 3.34Å; Q1373-S1377 VanDerWaalsContact O-CB 3.31Å; Q1373-S1377 WeakPolarHBondContact O-CB 3.41Å; Q1373-S1377 PolarHBondContact O-N 2.92Å; R1374-S1377 WeakPolarHBondContact O-CB 3.32Å; R1374-S1377 PolarHBondContact O-N 3.32Å; R1374-S1377 PolarHBondContact O-OG 2.85Å; S1377-L1379 PolarHBondContact O-N 3.05Å
1378K57Low57.4Low63 Ų6392.7 Ų92.727%0.27448%0.478SS..THydrogen-bonded Turntrans-79.21.8-178.2-65.3-179.9-171.81590114.1D1288 N1289 M1291 I1292 L1376D1288-K1378 VanDerWaalsContact C-NZ 3.34Å; D1288-K1378 VanDerWaalsContact O-CD 3.3Å; D1288-K1378 WeakPolarHBondContact O-CD 3.35Å; D1288-K1378 VanDerWaalsContact O-CE 3.3Å; D1288-K1378 WeakPolarHBondContact O-CE 3.42Å; D1288-K1378 PolarHBondContact O-NZ 2.8Å; N1289-K1378 PolarHBondContact OD1-NZ 3.13Å; M1291-K1378 HydrophobicContact CB-CB 3.79Å; M1291-K1378 HydrophobicContact CB-CD 4.38Å; M1291-K1378 HydrophobicContact CG-CB 4.24Å; I1292-K1378 HydrophobicContact CD1-CD 4.04Å; I1292-K1378 HydrophobicContact CG1-CD 3.88Å; L1376-K1378 PolarHBondContact O-N 3.5Å
1379L53.5Low54.4Low16 Ų1695.9 Ų95.98%0.08451%0.513CS..THydrogen-bonded Turntrans-95-22.5176.2-72.7161.6000113.4M1291 P1299 L1376 S1377 L1381 L1438 M1442M1291-L1379 HydrophobicContact CE-CD2 3.29Å; M1291-L1379 HydrophobicContact CE-CG 3.87Å; M1291-L1379 HydrophobicContact CG-CD1 4.31Å; M1291-L1379 HydrophobicContact CG-CG 4.08Å; M1291-L1379 HydrophobicContact SD-CD1 3.81Å; M1291-L1379 HydrophobicContact SD-CD2 3.6Å; M1291-L1379 HydrophobicContact SD-CG 3.69Å; P1299-L1379 HydrophobicContact CB-CD1 4.27Å; P1299-L1379 HydrophobicContact CG-CD1 4.18Å; L1376-L1379 HydrophobicContact CD2-CD1 4.17Å; L1376-L1379 WeakPolarHBondContact O-CB 3.49Å; L1376-L1379 PolarHBondContact O-N 3.19Å; S1377-L1379 PolarHBondContact O-N 3.05Å; L1379-L1381 VanDerWaalsContact C-N 3.33Å; L1379-L1438 HydrophobicContact CB-CD2 4.36Å; L1379-L1438 HydrophobicContact CD1-CD1 3.83Å; L1379-L1438 HydrophobicContact CD1-CD2 4.08Å; L1379-L1438 HydrophobicContact CD1-CG 4.43Å; L1379-L1438 HydrophobicContact CD2-CD1 3.54Å; L1379-L1438 HydrophobicContact CD2-CD2 3.7Å; L1379-L1438 HydrophobicContact CD2-CG 4.3Å; L1379-L1438 HydrophobicContact CG-CD1 4.33Å; L1379-L1438 HydrophobicContact CG-CD2 4.25Å; L1379-M1442 HydrophobicContact CB-CE 3.73Å; L1379-M1442 HydrophobicContact CD1-CE 3.62Å; L1379-M1442 HydrophobicContact CG-CE 4.25Å
1380Q41.2Very low51.6Low145 Ų145101.3 Ų101.368%0.67854%0.54SS*.SBendtrans-76.3-19.1176.3-67.5177.7-90.600113.2T1382Q1380-T1382 PolarHBondContact O-N 3.36Å
1381L36Very low48.7Very low145 Ų145101.5 Ų101.576%0.75956%0.555SS**THydrogen-bonded Turntrans-79.929.4-174-70.2168.1000115.2L1379L1379-L1381 VanDerWaalsContact C-N 3.33Å
1382T30.4Very low45.6Very low106 Ų106106.9 Ų106.965%0.6559%0.593SS**THydrogen-bonded Turntrans-132.833.7179.554.70000114.7Q1380Q1380-T1382 PolarHBondContact O-N 3.36Å
1383T27.2Very low43Very low119 Ų119109.4 Ų109.473%0.7362%0.617SS**SBendtrans-113.772.2174.453.20000113.2E1385T1383-E1385 PolarHBondContact O-N 2.83Å
1384N26.3Very low40.4Very low157 Ų157107.3 Ų107.384%0.8462%0.617SS**  trans38.260.2157.2-66.6-5.9000118.8N1386N1384-N1386 PolarHBondContact O-N 3.44Å
1385E29Very low37.8Very low197 Ų197110.3 Ų110.392%0.92164%0.637SS**  trans-78.770.8158.5-68.4-162.9162.500110.6T1383T1383-E1385 PolarHBondContact O-N 2.83Å
1386N26.2Very low35.5Very low152 Ų152116.8 Ų116.881%0.81367%0.668SS**  trans-140.749.4173.7-115.7-20.3000110.4N1384N1384-N1386 PolarHBondContact O-N 3.44Å
1387M25.8Very low33.5Very low189 Ų189121.8 Ų121.893%0.93170%0.699SS**  trans-14286.5171-91.4-66.9170.900109.5
1388S25.7Very low31.8Very low122 Ų122125.2 Ų125.285%0.85371%0.713SS**  trans-131.4131.1169.2560000109.8
1389G27.1Very low30.3Very low74 Ų74127.3 Ų127.376%0.76373%0.732SS**  trans103.995.4176.500000115.6
1390I30.8Very low29.2Very low171 Ų171134.6 Ų134.688%0.87777%0.769SS**  -149.9142.2120.2-96.5151000108
1391S29.1Very low28.5Very low115 Ų115132.8 Ų132.880%0.80477%0.768SS**  trans-32.5149.3-170.453.90000121.6
1392S24.9Very low28.2Very low113 Ų113131.6 Ų131.679%0.7977%0.767SS**  trans-89.9153.5174.154.20000116.6
1393T29.2Very low28.2Very low131 Ų131132.5 Ų132.580%0.80477%0.773SS**  trans-144.8147150.246.50000108.7
1394S28.2Very low28.4Very low91 Ų91131 Ų13164%0.63677%0.767SS**  cis98.3119.713.782.60000114.5
1395L29.2Very low28.5Very low131 Ų131130.1 Ų130.169%0.68677%0.767SS**  cis-149.6159.30.5-58.388.9000112.4
1396E28.3Very low28.7Very low148 Ų148127.2 Ų127.269%0.69276%0.763SS**  trans66.4168138.5-74.7160.9-173.500120.4
1397V32Very low28.6Very low126 Ų126125.4 Ų125.476%0.76476%0.762SS**  cis-149.5145.932.1168.60000108.3
1398N30.2Very low29Very low118 Ų118122.5 Ų122.563%0.63176%0.758SS**  cis-150.3169.7-2.5-113.67.6000107.5
1399T26.1Very low28.9Very low108 Ų108122 Ų12266%0.66375%0.754SS**  cis86.99620.6-41.80000115.9
1400I29.5Very low28.9Very low168 Ų168123.8 Ų123.886%0.86276%0.755SS**  trans-166171.1177.1-106.1155.2000109.5
1401T27.4Very low28.7Very low108 Ų108120.8 Ų120.866%0.66375%0.749SS**  -147.3163.4-78.5-39.50000110.1
1402T29.7Very low28.5Very low120 Ų120123.3 Ų123.374%0.73675%0.753SS**  trans62.9131.4167.458.70000118.6
1403T30.4Very low28.5Very low125 Ų125123.2 Ų123.277%0.76775%0.752SS**  cis-176.1159.4-5.6220000107.8
1404S30.7Very low28.2Very low88 Ų88121.2 Ų121.262%0.61574%0.744SS**  cis-179.1162.1-18.952.20000110.4
1405T30.2Very low28.1Very low138 Ų138125.6 Ų125.685%0.84775%0.752SS**  trans68.6140.3172.769.40000116.6
1406T31.5Very low27.8Very low135 Ų135126.4 Ų126.483%0.82875%0.752SS**  cis-126.9170.85.1460000113.8
1407S24.8Very low27.5Very low114 Ų114125.3 Ų125.380%0.79776%0.755SS**  trans-116.7-176.9178-29.10000109.5
1408P33.4Very low27.4Very low129 Ų129126.6 Ų126.684%0.83876%0.763SS**  cis-138.6-179.423.843.4-23.6000117.9
1409S23.5Very low27.1Very low111 Ų111125.9 Ų125.978%0.77677%0.768SS**  trans-101.4157.2-17754.70000114.8
1410S28.9Very low27.3Very low111 Ų111128 Ų12878%0.77678%0.781SS**  trans-159.7119.3136.841.70000107.8
1411S25.8Very low27Very low108 Ų108123.4 Ų123.476%0.75578%0.775SS**  cis104.9112.43965.80000111.2
1412L24.9Very low27.2Very low168 Ų168126.6 Ų126.688%0.8879%0.786SS**  trans-59.4156.5172.6-79.463.6000112.1
1413S23.8Very low27.2Very low111 Ų111125 Ų12578%0.77678%0.781SS**  -172141119.530.40000113.9
1414S23.3Very low27Very low90 Ų90126.8 Ų126.863%0.62979%0.785SS**  trans31.2130.5150.158.10000121.4
1415F27.4Very low27Very low183 Ų183131 Ų13180%0.80379%0.792SS**  -160.6-17692-110.9-73.5000112.3
1416E22Very low26.7Very low148 Ų148131.5 Ų131.569%0.69279%0.79SS**  trans-106.1164.2-151-62.1168.9102.300115.8
1417T23Very low26.5Very low124 Ų124132.6 Ų132.676%0.76179%0.789SS**  trans55.1115.7152.850.50000120.4
1418T28.8Very low26.7Very low153 Ų153132.6 Ų132.694%0.93978%0.78SS**  -163157.9101.715.10000111.1
1419S24.2Very low26.4Very low104 Ų104133.7 Ų133.773%0.72778%0.778SS**  trans-111.1137.9-167.559.20000114.2
1420T29.9Very low26.7Very low151 Ų151132 Ų13293%0.92676%0.756SS**  trans-178.7139.5138.9200000109.2
1421G24.4Very low27Very low73 Ų73130.4 Ų130.475%0.75374%0.742SS**  cis154.289.5-9.600000113.2
1422I30.2Very low27.7Very low174 Ų174129.9 Ų129.989%0.89274%0.736SS**  trans-130.2126.2163.6-61.3-178000107.7
1423S29.9Very low28.5Very low88 Ų88128.3 Ų128.362%0.61572%0.724SS**  trans-94.6133.2-174.561.80000112.6
1424D26.6Very low29.4Very low162 Ų162126.7 Ų126.787%0.86670%0.704SS**  trans-53.8144161.8-68.3-71.6000112.1
1425K29.7Very low30.4Very low175 Ų175124.4 Ų124.476%0.76169%0.688SS**  trans-137.3116.8168.6-75.8-173.6176.4169.80112
1426N25.1Very low31.4Very low150 Ų150119.3 Ų119.380%0.80267%0.667SS**  trans7155.8157.3-53.3-16.4000117.5N1428N1426-N1428 PolarHBondContact O-N 3.01Å
1427I26.8Very low32.8Very low157 Ų157113 Ų11381%0.80564%0.639SS**  trans-66108144.2-63.1178.3000106.8I1429I1427-I1429 PolarHBondContact O-N 3.13Å; I1427-I1429 VanDerWaalsContact O-N 3.15Å
1428N28.1Very low34.1Very low114 Ų114107.3 Ų107.361%0.6160%0.604SS**  trans-82.791.9-175.3-169.97.4000109.9N1426 K1430N1426-N1428 PolarHBondContact O-N 3.01Å; N1428-K1430 PolarHBondContact O-N 2.76Å
1429I27.8Very low35.1Very low153 Ų153105.4 Ų105.479%0.78559%0.586SS**  trans-63.2103.3-178.2-57.9178000109.6I1427I1427-I1429 PolarHBondContact O-N 3.13Å; I1427-I1429 VanDerWaalsContact O-N 3.15Å
1430K30.2Very low36.7Very low74 Ų74101.4 Ų101.432%0.32256%0.556SS.*  trans-80.1155.7178.1-73.7176.2171.8-167.90111.6N1295 F1297 N1428N1295-K1430 PolarHBondContact O-NZ 2.91Å; F1297-K1430 HydrophobicContact CD2-CD 4.47Å; F1297-K1430 HydrophobicContact CE2-CB 3.97Å; F1297-K1430 HydrophobicContact CE2-CD 3.66Å; F1297-K1430 HydrophobicContact CE2-CG 4.46Å; F1297-K1430 HydrophobicContact CZ-CB 4.2Å; N1428-K1430 PolarHBondContact O-N 2.76Å
1431T35.3Very low37.9Very low79 Ų7994.6 Ų94.649%0.48551%0.514SS..  trans-54.1140.1-176.648.30000113.4E1433 Q1434T1431-E1433 PolarHBondContact O-N 2.79Å; T1431-Q1434 PolarHBondContact O-N 3.01Å
1432P40.2Very low39.3Very low97 Ų9793.5 Ų93.563%0.6349%0.49SS*.Hα-helixtrans-62.9-14.4-173.524.5-35000115.2Q1434 S1435 Q1436P1432-Q1434 VanDerWaalsContact C-N 3.27Å; P1432-Q1434 PolarHBondContact O-N 3.41Å; P1432-S1435 PolarHBondContact O-OG 3.39Å; P1432-Q1436 WeakPolarHBondContact O-CG 3.29Å; P1432-Q1436 PolarHBondContact O-N 3.3Å
1433E42.6Very low41Very low134 Ų13490 Ų9063%0.62647%0.47SS*.Hα-helixtrans-59.3-36.2169.7-62.9-175.9143.100112.1T1431 S1437T1431-E1433 PolarHBondContact O-N 2.79Å; E1433-S1437 PolarHBondContact O-N 3.33Å; E1433-S1437 PolarHBondContact O-OG 2.94Å
1434Q41.4Very low43.3Very low77 Ų7787.7 Ų87.736%0.3645%0.447SS..Hα-helixtrans-78-35.8-174.2-65-171.2-0.500113F1297 T1431 P1432 S1437 L1438F1297-Q1434 HydrophobicContact CD2-CB 3.82Å; F1297-Q1434 HydrophobicContact CE2-CB 3.61Å; F1297-Q1434 HydrophobicContact CG-CB 4.36Å; F1297-Q1434 HydrophobicContact CZ-CB 4.03Å; T1431-Q1434 PolarHBondContact O-N 3.01Å; P1432-Q1434 VanDerWaalsContact C-N 3.27Å; P1432-Q1434 PolarHBondContact O-N 3.41Å; Q1434-S1437 PolarHBondContact O-N 2.89Å; Q1434-L1438 PolarHBondContact O-N 2.65Å; Q1434-L1438 VanDerWaalsContact O-N 3.13Å
1435S44.8Very low46.2Very low42 Ų4281.7 Ų81.729%0.29442%0.417SS..Hα-helixtrans-69.2-37171.448.90000111.8P1432 L1438 M1439P1432-S1435 PolarHBondContact O-OG 3.39Å; S1435-L1438 PolarHBondContact O-N 2.75Å; S1435-M1439 WeakPolarHBondContact O-CG 3.34Å; S1435-M1439 PolarHBondContact O-N 2.94Å
1436Q49.4Very low49Very low76 Ų7674.3 Ų74.336%0.35539%0.387SS..Hα-helixtrans-62.4-42.6170.7-77-168.78.500112.8P1432 L1438 M1439 K1440P1432-Q1436 WeakPolarHBondContact O-CG 3.29Å; P1432-Q1436 PolarHBondContact O-N 3.3Å; Q1436-L1438 VanDerWaalsContact C-N 3.31Å; Q1436-L1438 PolarHBondContact O-N 3.17Å; Q1436-M1439 PolarHBondContact O-N 3.43Å; Q1436-K1440 WeakPolarHBondContact O-CG 3.26Å; Q1436-K1440 PolarHBondContact O-N 3.1Å
1437S50.6Low52.2Low16 Ų1667.2 Ų67.211%0.11235%0.349CS..Hα-helixtrans-60.9-40.5175.7-71.10000112E1433 Q1434 K1440 V1441E1433-S1437 PolarHBondContact O-N 3.33Å; E1433-S1437 PolarHBondContact O-OG 2.94Å; Q1434-S1437 PolarHBondContact O-N 2.89Å; S1437-K1440 WeakPolarHBondContact O-CB 3.48Å; S1437-K1440 PolarHBondContact O-N 3.15Å; S1437-V1441 WeakPolarHBondContact O-CG2 3.4Å; S1437-V1441 PolarHBondContact O-N 3.3Å; S1437-V1441 VanDerWaalsContact O-N 3.09Å
1438L49.4Very low55.4Low4 Ų459.7 Ų59.72%0.02131%0.31CS..Hα-helixtrans-67.1-40176.2167.2144.5000113.2F1297 P1299 L1379 Q1434 S1435 Q1436 K1440 V1441 M1442F1297-L1438 HydrophobicContact CB-CB 4.16Å; F1297-L1438 HydrophobicContact CB-CD1 3.88Å; F1297-L1438 HydrophobicContact CD1-CB 4.07Å; F1297-L1438 HydrophobicContact CD1-CD1 3.9Å; F1297-L1438 HydrophobicContact CD1-CG 4.48Å; F1297-L1438 HydrophobicContact CG-CD1 4.39Å; P1299-L1438 VanDerWaalsContact CD-CD1 3.47Å; P1299-L1438 HydrophobicContact CG-CD1 3.88Å; P1299-L1438 HydrophobicContact CG-CG 4.25Å; L1379-L1438 HydrophobicContact CB-CD2 4.36Å; L1379-L1438 HydrophobicContact CD1-CD1 3.83Å; L1379-L1438 HydrophobicContact CD1-CD2 4.08Å; L1379-L1438 HydrophobicContact CD1-CG 4.43Å; L1379-L1438 HydrophobicContact CD2-CD1 3.54Å; L1379-L1438 HydrophobicContact CD2-CD2 3.7Å; L1379-L1438 HydrophobicContact CD2-CG 4.3Å; L1379-L1438 HydrophobicContact CG-CD1 4.33Å; L1379-L1438 HydrophobicContact CG-CD2 4.25Å; Q1434-L1438 PolarHBondContact O-N 2.65Å; Q1434-L1438 VanDerWaalsContact O-N 3.13Å; S1435-L1438 PolarHBondContact O-N 2.75Å; Q1436-L1438 VanDerWaalsContact C-N 3.31Å; Q1436-L1438 PolarHBondContact O-N 3.17Å; L1438-K1440 PolarHBondContact O-N 3.42Å; L1438-V1441 WeakPolarHBondContact O-CB 3.35Å; L1438-V1441 PolarHBondContact O-N 3.34Å; L1438-M1442 HydrophobicContact CD2-CE 3.63Å; L1438-M1442 HydrophobicContact CG-CE 4.44Å; L1438-M1442 PolarHBondContact O-N 2.9Å
1439M50.8Low58.6Low114 Ų11454.3 Ų54.356%0.56228%0.281SS*.Hα-helixtrans-61.4-27.3174.5-74.3-73.2-82.400112S1435 Q1436 M1442S1435-M1439 WeakPolarHBondContact O-CG 3.34Å; S1435-M1439 PolarHBondContact O-N 2.94Å; Q1436-M1439 PolarHBondContact O-N 3.43Å; M1439-M1442 HydrophobicContact SD-CE 4.43Å
1440K56.7Low61.7Low20 Ų2047 Ų479%0.08724%0.244CC..Hα-helixtrans-79.1-31.7173.3-63.4168.6-163.9175.90112.9Q1436 S1437 L1438 M1442 Q1443 M1686 Q1689 S1690Q1436-K1440 WeakPolarHBondContact O-CG 3.26Å; Q1436-K1440 PolarHBondContact O-N 3.1Å; S1437-K1440 WeakPolarHBondContact O-CB 3.48Å; S1437-K1440 PolarHBondContact O-N 3.15Å; L1438-K1440 PolarHBondContact O-N 3.42Å; K1440-M1442 PolarHBondContact O-N 2.9Å; K1440-Q1443 WeakPolarHBondContact O-CB 3.23Å; K1440-Q1443 PolarHBondContact O-N 2.81Å; K1440-Q1443 VanDerWaalsContact O-N 3.14Å; K1440-M1686 WeakPolarHBondContact CD-O 3.25Å; K1440-M1686 PolarHBondContact NZ-O 3.02Å; K1440-Q1689 HydrophobicContact CD-CB 4.18Å; K1440-Q1689 VanDerWaalsContact CE-O 3.24Å; K1440-Q1689 WeakPolarHBondContact CE-O 3.25Å; K1440-Q1689 VanDerWaalsContact NZ-C 3.32Å; K1440-Q1689 PolarHBondContact NZ-O 2.87Å; K1440-S1690 VanDerWaalsContact NZ-N 3.2Å
1441V55.2Low64.5Low8 Ų844 Ų445%0.04823%0.232CC..Hα-helixtrans-59.4-37.5170175.50000110.5S1437 L1438 Q1443 W1444 M1686 L1777S1437-V1441 WeakPolarHBondContact O-CG2 3.4Å; S1437-V1441 PolarHBondContact O-N 3.3Å; S1437-V1441 VanDerWaalsContact O-N 3.09Å; L1438-V1441 WeakPolarHBondContact O-CB 3.35Å; L1438-V1441 PolarHBondContact O-N 3.34Å; V1441-Q1443 PolarHBondContact O-N 3.49Å; V1441-W1444 HydrophobicContact CB-CE3 4.3Å; V1441-W1444 HydrophobicContact CB-CZ3 4.19Å; V1441-W1444 HydrophobicContact CG1-CE3 3.95Å; V1441-W1444 HydrophobicContact CG1-CZ3 3.98Å; V1441-W1444 HydrophobicContact CG2-CE3 4.35Å; V1441-W1444 HydrophobicContact CG2-CH2 3.94Å; V1441-W1444 HydrophobicContact CG2-CZ3 3.75Å; V1441-W1444 PolarHBondContact O-N 2.82Å; V1441-W1444 VanDerWaalsContact O-N 3.13Å; V1441-M1686 HydrophobicContact CG2-CE 4.21Å; V1441-L1777 HydrophobicContact CG2-CB 4.49Å
1442M55Low67Low50 Ų5041.9 Ų41.925%0.24622%0.217CC..THydrogen-bonded Turntrans-66.6-12.7176.7-60.1-161.6-161.600115.1L1376 L1379 L1438 M1439 K1440L1376-M1442 HydrophobicContact CB-CE 4.41Å; L1376-M1442 HydrophobicContact CB-SD 4.48Å; L1376-M1442 HydrophobicContact CD1-SD 3.89Å; L1376-M1442 HydrophobicContact CD2-CE 3.8Å; L1376-M1442 HydrophobicContact CD2-CG 4.31Å; L1376-M1442 HydrophobicContact CD2-SD 3.92Å; L1376-M1442 HydrophobicContact CG-SD 4.3Å; L1379-M1442 HydrophobicContact CB-CE 3.73Å; L1379-M1442 HydrophobicContact CD1-CE 3.62Å; L1379-M1442 HydrophobicContact CG-CE 4.25Å; L1438-M1442 HydrophobicContact CD2-CE 3.63Å; L1438-M1442 HydrophobicContact CG-CE 4.44Å; L1438-M1442 PolarHBondContact O-N 2.9Å; M1439-M1442 HydrophobicContact SD-CE 4.43Å; K1440-M1442 PolarHBondContact O-N 2.9Å
1443Q66.4Low69.5Low101 Ų10138.4 Ų38.447%0.47219%0.194SC..THydrogen-bonded Turntrans-82.9-16.3173.4-67.4-176.78.900112.8K1440 V1441 N1466 Q1689K1440-Q1443 WeakPolarHBondContact O-CB 3.23Å; K1440-Q1443 PolarHBondContact O-N 2.81Å; K1440-Q1443 VanDerWaalsContact O-N 3.14Å; V1441-Q1443 PolarHBondContact O-N 3.49Å; Q1443-N1466 PolarHBondContact O-ND2 2.86Å; Q1443-Q1689 VanDerWaalsContact OE1-OE1 3.09Å
1444W77.3Confident71.7Confident38 Ų3840 Ų4014%0.14420%0.202CC..SBendtrans-73.7145.2179.6-61.1-23.2000111.5V1441 M1686 L1778 Y1781V1441-W1444 HydrophobicContact CB-CE3 4.3Å; V1441-W1444 HydrophobicContact CB-CZ3 4.19Å; V1441-W1444 HydrophobicContact CG1-CE3 3.95Å; V1441-W1444 HydrophobicContact CG1-CZ3 3.98Å; V1441-W1444 HydrophobicContact CG2-CE3 4.35Å; V1441-W1444 HydrophobicContact CG2-CH2 3.94Å; V1441-W1444 HydrophobicContact CG2-CZ3 3.75Å; V1441-W1444 PolarHBondContact O-N 2.82Å; V1441-W1444 VanDerWaalsContact O-N 3.13Å; W1444-M1686 HydrophobicContact CH2-CE 3.63Å; W1444-M1686 HydrophobicContact CH2-CG 4.32Å; W1444-M1686 HydrophobicContact CH2-SD 3.69Å; W1444-M1686 HydrophobicContact CZ2-CE 3.97Å; W1444-M1686 HydrophobicContact CZ2-CG 3.75Å; W1444-M1686 HydrophobicContact CZ2-SD 3.72Å; W1444-L1778 HydrophobicContact CE3-CD1 4.28Å; W1444-L1778 HydrophobicContact CH2-CB 4.18Å; W1444-L1778 HydrophobicContact CH2-CD1 3.3Å; W1444-L1778 HydrophobicContact CH2-CG 4.33Å; W1444-L1778 HydrophobicContact CZ2-CD1 3.7Å; W1444-L1778 HydrophobicContact CZ3-CD1 3.62Å; W1444-Y1781 HydrophobicContact CB-CD2 4.49Å; W1444-Y1781 HydrophobicContact CB-CE2 3.81Å; W1444-Y1781 HydrophobicContact CE3-CD1 4Å; W1444-Y1781 AromaticContact CE3-CD2 3.8Å; W1444-Y1781 HydrophobicContact CE3-CD2 3.8Å; W1444-Y1781 HydrophobicContact CE3-CE1 4.41Å; W1444-Y1781 HydrophobicContact CE3-CE2 4.19Å; W1444-Y1781 AromaticContact CE3-CG 3.7Å; W1444-Y1781 HydrophobicContact CE3-CG 3.7Å; W1444-Y1781 HydrophobicContact CZ3-CD1 4.39Å; W1444-Y1781 HydrophobicContact CZ3-CG 4.08Å
1445P87Confident74Confident36 Ų3638.9 Ų38.923%0.23420%0.196CC..PPolyproline II helixtrans-65.2139.2-176.725.6-34.6000111.4P1447 N1466 I1468 Y1781P1445-P1447 VanDerWaalsContact O-CD 3.29Å; P1445-P1447 WeakPolarHBondContact O-CD 3.46Å; P1445-N1466 CarbonylContact C-O 3.48Å; P1445-N1466 WeakPolarHBondContact CA-O 3.33Å; P1445-N1466 VanDerWaalsContact CA-OD1 3.3Å; P1445-N1466 WeakPolarHBondContact CA-OD1 3.4Å; P1445-N1466 WeakPolarHBondContact CB-OD1 3.19Å; P1445-I1468 HydrophobicContact CB-CB 4.36Å; P1445-I1468 HydrophobicContact CB-CG2 4.25Å; P1445-I1468 HydrophobicContact CG-CB 4.44Å; P1445-I1468 HydrophobicContact CG-CG2 4.2Å; P1445-Y1781 PolarHBondContact O-OH 3.4Å
1446V89.1Confident76.2Confident20 Ų2036.9 Ų36.912%0.12118%0.182CC..EExtended strand (participates in β ladder)trans-70.2122.6178.5-1770000109.3F1301 F1303 N1466 I1467 I1468F1301-V1446 HydrophobicContact CD2-CG1 4.37Å; F1301-V1446 HydrophobicContact CE2-CG1 3.83Å; F1301-V1446 HydrophobicContact CE2-CG2 4.44Å; F1301-V1446 HydrophobicContact CZ-CG2 4.38Å; F1303-V1446 HydrophobicContact CD2-CG1 3.68Å; F1303-V1446 HydrophobicContact CE2-CG1 3.84Å; V1446-N1466 PolarHBondContact N-O 3.33Å; V1446-I1467 WeakPolarHBondContact O-CA 3.36Å; V1446-I1468 PolarHBondContact O-N 3.28Å
1447P92.4Very high78.2Confident1 Ų137.3 Ų37.31%0.00618%0.183CC..EExtended strand (participates in β ladder)trans-73.3136.1177.7-15.230.8000111.3S1302 F1303 P1445 I1468 L1470 Y1781 I1785S1302-P1447 WeakPolarHBondContact CA-O 3.39Å; S1302-P1447 WeakPolarHBondContact CB-O 3.42Å; F1303-P1447 PolarHBondContact N-O 2.9Å; P1445-P1447 VanDerWaalsContact O-CD 3.29Å; P1445-P1447 WeakPolarHBondContact O-CD 3.46Å; P1447-I1468 HydrophobicContact CB-CG2 4.16Å; P1447-I1468 HydrophobicContact CG-CG2 4.4Å; P1447-L1470 HydrophobicContact CB-CD1 4.1Å; P1447-Y1781 HydrophobicContact CG-CE2 4.17Å; P1447-I1785 HydrophobicContact CB-CD1 4.1Å; P1447-I1785 HydrophobicContact CB-CG1 3.83Å; P1447-I1785 HydrophobicContact CG-CD1 4.07Å; P1447-I1785 HydrophobicContact CG-CG1 3.85Å
1448I94.3Very high80.1Confident0 Ų044.4 Ų44.40%021%0.214CC..EExtended strand (participates in β ladder)trans-127.7125.6175.4-52.3-175.3000109.4F1303 I1305 M1368 L1456 I1467 I1468 I1469 L1470F1303-I1448 HydrophobicContact CB-CG1 4.31Å; F1303-I1448 HydrophobicContact CB-CG2 4.42Å; F1303-I1448 CarbonylContact O-C 3.5Å; F1303-I1448 WeakPolarHBondContact O-CA 3.35Å; I1305-I1448 HydrophobicContact CB-CG2 4.25Å; I1305-I1448 HydrophobicContact CD1-CD1 4.38Å; I1305-I1448 HydrophobicContact CD1-CG2 3.8Å; I1305-I1448 HydrophobicContact CG1-CG2 3.75Å; M1368-I1448 HydrophobicContact CE-CD1 3.39Å; M1368-I1448 HydrophobicContact SD-CD1 4.23Å; I1448-L1456 HydrophobicContact CG2-CD2 3.96Å; I1448-I1467 HydrophobicContact CD1-CB 4.49Å; I1448-I1467 HydrophobicContact CD1-CD1 3.86Å; I1448-I1467 HydrophobicContact CD1-CG1 4.12Å; I1448-I1467 HydrophobicContact CD1-CG2 3.56Å; I1448-I1467 HydrophobicContact CG1-CG2 3.99Å; I1448-I1468 PolarHBondContact N-O 3.23Å; I1448-I1469 WeakPolarHBondContact O-CA 3.39Å; I1448-L1470 PolarHBondContact O-N 2.8Å
1449I94.5Very high82Confident0 Ų045.8 Ų45.80%022%0.221CC..EExtended strand (participates in β ladder)trans-101.6126.5174.8-53.581.8000108.5F1303 S1304 I1305 L1470 C1472 I1785 C1789F1303-I1449 WeakPolarHBondContact O-CD1 3.36Å; F1303-I1449 PolarHBondContact O-N 3.48Å; S1304-I1449 CarbonylContact C-O 3.56Å; S1304-I1449 VanDerWaalsContact CA-O 3.26Å; S1304-I1449 WeakPolarHBondContact CA-O 3.28Å; I1305-I1449 PolarHBondContact N-O 3.48Å; I1449-L1470 WeakPolarHBondContact CA-O 3.33Å; I1449-C1472 HydrophobicContact CG2-CB 3.95Å; I1449-I1785 HydrophobicContact CD1-CG2 3.86Å; I1449-I1785 HydrophobicContact CG1-CG2 4.11Å; I1449-C1789 HydrophobicContact CG2-CB 4.27Å; I1449-C1789 WeakPolarHBondContact O-CB 3.42Å
1450T93Very high83.8Confident0 Ų040.5 Ų40.50%020%0.195CC..EExtended strand (participates in β ladder)trans-137.1153-179.3-172.90000113.6I1305 D1452 V1453 L1456 I1469 L1470 C1472I1305-T1450 VanDerWaalsContact O-CA 3.25Å; I1305-T1450 WeakPolarHBondContact O-CA 3.5Å; I1305-T1450 WeakPolarHBondContact O-CB 3.38Å; I1305-T1450 PolarHBondContact O-OG1 3Å; T1450-D1452 WeakPolarHBondContact CG2-O 3.39Å; T1450-D1452 PolarHBondContact OG1-N 2.7Å; T1450-D1452 PolarHBondContact OG1-O 3.42Å; T1450-V1453 HydrophobicContact CG2-CB 4.39Å; T1450-V1453 HydrophobicContact CG2-CG2 3.74Å; T1450-L1456 HydrophobicContact CG2-CB 4.31Å; T1450-L1456 HydrophobicContact CG2-CD2 3.84Å; T1450-I1469 HydrophobicContact CG2-CG2 3.66Å; T1450-L1470 PolarHBondContact N-O 3.06Å; T1450-C1472 VanDerWaalsContact O-CB 3.29Å; T1450-C1472 WeakPolarHBondContact O-CB 3.32Å; T1450-C1472 PolarHBondContact O-N 3.02Å
1451N89.5Confident85.3Confident11 Ų1142.5 Ų42.56%0.05921%0.206CC..SBendtrans-82.3-12.517162.3-37.7000113.1E1306 L1307 S1475 K1479 C1789E1306-N1451 WeakPolarHBondContact CA-OD1 3.28Å; L1307-N1451 PolarHBondContact N-OD1 3.3Å; L1307-N1451 PolarHBondContact O-ND2 3.09Å; N1451-S1475 WeakPolarHBondContact CA-OG 3.41Å; N1451-K1479 VanDerWaalsContact O-CE 3.31Å; N1451-K1479 WeakPolarHBondContact O-CE 3.35Å; N1451-K1479 PolarHBondContact O-NZ 3.46Å; N1451-C1789 PolarHBondContact N-SG 2.93Å; N1451-C1789 VanDerWaalsContact N-SG 3.4Å
1452D88Confident86.7Confident34 Ų3444.7 Ų44.718%0.18222%0.216CC..  trans-134.697.7172.9-164.3-26.4000111.1L1307 T1450 E1454 F1455 L1456L1307-D1452 HydrophobicContact CD1-CB 3.87Å; T1450-D1452 WeakPolarHBondContact CG2-O 3.39Å; T1450-D1452 PolarHBondContact OG1-N 2.7Å; T1450-D1452 PolarHBondContact OG1-O 3.42Å; D1452-E1454 PolarHBondContact OD1-N 3.05Å; D1452-E1454 VanDerWaalsContact OD1-N 3.16Å; D1452-F1455 HydrophobicContact CB-CB 4.14Å; D1452-F1455 VanDerWaalsContact CG-CB 3.44Å; D1452-F1455 WeakPolarHBondContact OD1-CB 3.49Å; D1452-F1455 PolarHBondContact OD1-N 2.99Å; D1452-L1456 WeakPolarHBondContact O-CB 3.36Å; D1452-L1456 PolarHBondContact O-N 3.34Å
1453V91.4Very high87.8Confident25 Ų2548 Ų4815%0.15224%0.239CC..Hα-helixtrans-77.6-30.9-178.1177.60000111.6T1450 K1457 I1469 P1471T1450-V1453 HydrophobicContact CG2-CB 4.39Å; T1450-V1453 HydrophobicContact CG2-CG2 3.74Å; V1453-K1457 HydrophobicContact CG1-CD 3.88Å; V1453-K1457 VanDerWaalsContact CG1-CE 3.4Å; V1453-K1457 HydrophobicContact CG1-CG 4.34Å; V1453-K1457 VanDerWaalsContact O-CB 3.3Å; V1453-K1457 WeakPolarHBondContact O-CB 3.46Å; V1453-K1457 VanDerWaalsContact O-CG 3.26Å; V1453-K1457 WeakPolarHBondContact O-CG 3.43Å; V1453-K1457 PolarHBondContact O-N 3.25Å; V1453-I1469 HydrophobicContact CB-CG2 4.47Å; V1453-I1469 HydrophobicContact CG1-CG2 4.01Å; V1453-I1469 HydrophobicContact CG2-CG2 4.25Å; V1453-P1471 HydrophobicContact CG2-CB 3.81Å; V1453-P1471 HydrophobicContact CG2-CG 4Å
1454E89.6Confident88.4Confident168 Ų16849.7 Ų49.779%0.78525%0.247SC*.Hα-helixtrans-73.8-48.2-178.3-65.8-174.6174.400110.3D1452 L1456 K1457 H1458D1452-E1454 PolarHBondContact OD1-N 3.05Å; D1452-E1454 VanDerWaalsContact OD1-N 3.16Å; E1454-L1456 VanDerWaalsContact C-N 3.34Å; E1454-L1456 PolarHBondContact O-N 3.34Å; E1454-K1457 PolarHBondContact O-N 3.36Å; E1454-H1458 PolarHBondContact O-N 3.47Å
1455F88.9Confident88.5Confident52 Ų5248.9 Ų48.923%0.22825%0.248CC..Hα-helixtrans-58.7-45.2174.1-177.6-90.5000111.7L1307 Q1332 P1359 D1452 H1458 L1459L1307-F1455 HydrophobicContact CD1-CB 4.45Å; L1307-F1455 HydrophobicContact CD1-CD1 3.53Å; L1307-F1455 HydrophobicContact CD1-CE1 4.19Å; L1307-F1455 HydrophobicContact CD1-CG 4.33Å; L1307-F1455 HydrophobicContact CD2-CD1 3.97Å; L1307-F1455 HydrophobicContact CD2-CE1 3.76Å; L1307-F1455 HydrophobicContact CG-CD1 4.39Å; Q1332-F1455 VanDerWaalsContact CD-CZ 3.46Å; Q1332-F1455 VanDerWaalsContact NE2-CE2 3.33Å; P1359-F1455 HydrophobicContact CG-CE1 4.1Å; P1359-F1455 HydrophobicContact CG-CZ 4.24Å; D1452-F1455 HydrophobicContact CB-CB 4.14Å; D1452-F1455 VanDerWaalsContact CG-CB 3.44Å; D1452-F1455 WeakPolarHBondContact OD1-CB 3.49Å; D1452-F1455 PolarHBondContact OD1-N 2.99Å; F1455-H1458 PolarHBondContact O-N 3.49Å; F1455-L1459 HydrophobicContact CD1-CD1 4.08Å; F1455-L1459 HydrophobicContact CE1-CD1 3.35Å; F1455-L1459 HydrophobicContact CE1-CG 4.17Å; F1455-L1459 HydrophobicContact CZ-CD1 3.72Å; F1455-L1459 HydrophobicContact CZ-CG 4.39Å; F1455-L1459 PolarHBondContact O-N 2.86Å
1456L90.8Very high88.5Confident0 Ų049.8 Ų49.80%025%0.25CS..Hα-helixtrans-69.2-37.2-177.9-166.465.3000112.5I1305 L1364 I1448 T1450 D1452 E1454 H1458 L1459 I1460 I1469I1305-L1456 HydrophobicContact CD1-CD1 4.04Å; I1305-L1456 HydrophobicContact CD1-CD2 4.14Å; I1305-L1456 HydrophobicContact CG2-CD1 4.49Å; L1364-L1456 HydrophobicContact CD1-CD1 3.93Å; I1448-L1456 HydrophobicContact CG2-CD2 3.96Å; T1450-L1456 HydrophobicContact CG2-CB 4.31Å; T1450-L1456 HydrophobicContact CG2-CD2 3.84Å; D1452-L1456 WeakPolarHBondContact O-CB 3.36Å; D1452-L1456 PolarHBondContact O-N 3.34Å; E1454-L1456 VanDerWaalsContact C-N 3.34Å; E1454-L1456 PolarHBondContact O-N 3.34Å; L1456-H1458 VanDerWaalsContact C-N 3.33Å; L1456-L1459 PolarHBondContact O-N 3.37Å; L1456-I1460 HydrophobicContact CD1-CD1 3.82Å; L1456-I1460 HydrophobicContact CD1-CG1 4.34Å; L1456-I1460 HydrophobicContact CG-CD1 4.45Å; L1456-I1460 PolarHBondContact O-N 3.45Å; L1456-I1469 HydrophobicContact CB-CD1 4.27Å; L1456-I1469 HydrophobicContact CD2-CD1 3.96Å; L1456-I1469 HydrophobicContact CD2-CG1 4.04Å; L1456-I1469 HydrophobicContact CD2-CG2 4.01Å; L1456-I1469 HydrophobicContact CG-CD1 3.86Å; L1456-I1469 HydrophobicContact CG-CG1 4.49Å
1457K91.7Very high88.6Confident86 Ų8649.4 Ų49.437%0.37425%0.248SC..Hα-helixtrans-69.1-27.4173.2-75.9177.4-175.1-680113.1V1453 E1454 L1459 E1462 I1469V1453-K1457 HydrophobicContact CG1-CD 3.88Å; V1453-K1457 VanDerWaalsContact CG1-CE 3.4Å; V1453-K1457 HydrophobicContact CG1-CG 4.34Å; V1453-K1457 VanDerWaalsContact O-CB 3.3Å; V1453-K1457 WeakPolarHBondContact O-CB 3.46Å; V1453-K1457 VanDerWaalsContact O-CG 3.26Å; V1453-K1457 WeakPolarHBondContact O-CG 3.43Å; V1453-K1457 PolarHBondContact O-N 3.25Å; E1454-K1457 PolarHBondContact O-N 3.36Å; K1457-L1459 VanDerWaalsContact C-N 3.31Å; K1457-E1462 IonicContact NZ-OE1 2.67Å; K1457-E1462 PolarHBondContact NZ-OE1 3.5Å; K1457-E1462 IonicContact NZ-OE2 3.93Å; K1457-E1462 PolarHBondContact NZ-OE2 2.94Å; K1457-I1469 HydrophobicContact CG-CD1 3.74Å
1458H90.6Very high88.6Confident165 Ų16549.7 Ų49.776%0.76425%0.249SC*.Hα-helixtrans-71.3-27.2171.6-169.8-67.1000112.2E1454 F1455 L1456E1454-H1458 PolarHBondContact O-N 3.47Å; F1455-H1458 PolarHBondContact O-N 3.49Å; L1456-H1458 VanDerWaalsContact C-N 3.33Å
1459L90Very high88.6Confident33 Ų3349.7 Ų49.717%0.17325%0.249CC..Hα-helixtrans-89.3-38.8176-68.5-175000113.8R1361 L1364 F1455 L1456 K1457R1361-L1459 WeakPolarHBondContact CB-O 3.41Å; R1361-L1459 WeakPolarHBondContact CD-O 3.46Å; R1361-L1459 WeakPolarHBondContact CG-O 3.36Å; L1364-L1459 HydrophobicContact CD1-CB 4.36Å; L1364-L1459 HydrophobicContact CD1-CD1 3.65Å; F1455-L1459 HydrophobicContact CD1-CD1 4.08Å; F1455-L1459 HydrophobicContact CE1-CD1 3.35Å; F1455-L1459 HydrophobicContact CE1-CG 4.17Å; F1455-L1459 HydrophobicContact CZ-CD1 3.72Å; F1455-L1459 HydrophobicContact CZ-CG 4.39Å; F1455-L1459 PolarHBondContact O-N 2.86Å; L1456-L1459 PolarHBondContact O-N 3.37Å; K1457-L1459 VanDerWaalsContact C-N 3.31Å
1460I89Confident88.6Confident2 Ų249.7 Ų49.71%0.0125%0.249CC..  trans-123.5122.3-169.2-57.8-177.9000110.5L1364 L1365 L1456 I1467L1364-I1460 HydrophobicContact CB-CD1 4.11Å; L1364-I1460 HydrophobicContact CD1-CD1 4.06Å; L1364-I1460 HydrophobicContact CD1-CG1 4.43Å; L1365-I1460 HydrophobicContact CD2-CD1 4.34Å; L1365-I1460 HydrophobicContact CD2-CG2 4.23Å; L1456-I1460 HydrophobicContact CD1-CD1 3.82Å; L1456-I1460 HydrophobicContact CD1-CG1 4.34Å; L1456-I1460 HydrophobicContact CG-CD1 4.45Å; L1456-I1460 PolarHBondContact O-N 3.45Å; I1460-I1467 HydrophobicContact CG2-CD1 3.85Å
1461D86.8Confident88.7Confident63 Ų6350 Ų5034%0.33725%0.25SS..  trans-75.9123.3167.4-171-74.4000110.1T1463 E1464 S1465D1461-T1463 VanDerWaalsContact C-N 3.3Å; D1461-T1463 PolarHBondContact O-N 3.17Å; D1461-T1463 WeakPolarHBondContact OD1-CA 3.34Å; D1461-T1463 WeakPolarHBondContact OD1-CB 3.36Å; D1461-T1463 PolarHBondContact OD1-N 2.86Å; D1461-T1463 PolarHBondContact OD1-OG1 2.84Å; D1461-E1464 HydrophobicContact CB-CB 4.14Å; D1461-E1464 HydrophobicContact CB-CG 4.07Å; D1461-E1464 WeakPolarHBondContact CB-OE2 3.5Å; D1461-E1464 PolarHBondContact OD1-N 3.05Å; D1461-S1465 WeakPolarHBondContact O-CB 3.39Å; D1461-S1465 PolarHBondContact O-N 3.03Å; D1461-S1465 PolarHBondContact O-OG 3.26Å
1462E84.7Confident88.8Confident53 Ų5349.4 Ų49.425%0.24825%0.248CC..THydrogen-bonded Turntrans-64.2-33.2-179.5-72.3-178.3139.900113K1457 N1466 I1467 I1469K1457-E1462 IonicContact NZ-OE1 2.67Å; K1457-E1462 PolarHBondContact NZ-OE1 3.5Å; K1457-E1462 IonicContact NZ-OE2 3.93Å; K1457-E1462 PolarHBondContact NZ-OE2 2.94Å; E1462-N1466 PolarHBondContact O-N 3.33Å; E1462-I1467 WeakPolarHBondContact CB-O 3.14Å; E1462-I1467 PolarHBondContact O-N 2.99Å; E1462-I1467 VanDerWaalsContact O-O 3.13Å; E1462-I1469 HydrophobicContact CG-CD1 4.06Å; E1462-I1469 HydrophobicContact CG-CG1 4.16Å; E1462-I1469 VanDerWaalsContact OE1-CB 3.31Å; E1462-I1469 WeakPolarHBondContact OE1-CB 3.39Å; E1462-I1469 PolarHBondContact OE1-N 3.45Å
1463T79.7Confident89Confident120 Ų12047.8 Ų47.874%0.73624%0.239SC*.THydrogen-bonded Turntrans-84.2-46.2-173.570.30000112.2D1461 S1465 N1466D1461-T1463 VanDerWaalsContact C-N 3.3Å; D1461-T1463 PolarHBondContact O-N 3.17Å; D1461-T1463 WeakPolarHBondContact OD1-CA 3.34Å; D1461-T1463 WeakPolarHBondContact OD1-CB 3.36Å; D1461-T1463 PolarHBondContact OD1-N 2.86Å; D1461-T1463 PolarHBondContact OD1-OG1 2.84Å; T1463-S1465 VanDerWaalsContact C-N 3.26Å; T1463-S1465 PolarHBondContact O-N 3.29Å; T1463-N1466 PolarHBondContact O-N 2.91Å
1464E79Confident88.7Confident136 Ų13646.7 Ų46.764%0.63623%0.232SC*.THydrogen-bonded Turntrans-62.9-36.1176.7-63.4-177.4129.200111.5R1361 D1461R1361-E1464 IonicContact CZ-OE2 2.79Å; R1361-E1464 VanDerWaalsContact CZ-OE2 3.24Å; R1361-E1464 IonicContact NH1-OE2 3.94Å; R1361-E1464 PolarHBondContact NH1-OE2 3.16Å; R1361-E1464 IonicContact NH2-OE2 3.8Å; R1361-E1464 PolarHBondContact NH2-OE2 3.16Å; D1461-E1464 HydrophobicContact CB-CB 4.14Å; D1461-E1464 HydrophobicContact CB-CG 4.07Å; D1461-E1464 WeakPolarHBondContact CB-OE2 3.5Å; D1461-E1464 PolarHBondContact OD1-N 3.05Å
1465S79.1Confident88.5Confident22 Ų2238.8 Ų38.815%0.15420%0.195CC..THydrogen-bonded Turntrans-92.2-5.8-172.6-43.30000113.7D1461 T1463D1461-S1465 WeakPolarHBondContact O-CB 3.39Å; D1461-S1465 PolarHBondContact O-N 3.03Å; D1461-S1465 PolarHBondContact O-OG 3.26Å; T1463-S1465 VanDerWaalsContact C-N 3.26Å; T1463-S1465 PolarHBondContact O-N 3.29Å
1466N86.4Confident88.5Confident55 Ų5536.5 Ų36.529%0.29419%0.186SC..THydrogen-bonded Turntrans48.760.8-167.8-163.426.8000112.6Q1443 P1445 V1446 E1462 T1463Q1443-N1466 PolarHBondContact O-ND2 2.86Å; P1445-N1466 CarbonylContact C-O 3.48Å; P1445-N1466 WeakPolarHBondContact CA-O 3.33Å; P1445-N1466 VanDerWaalsContact CA-OD1 3.3Å; P1445-N1466 WeakPolarHBondContact CA-OD1 3.4Å; P1445-N1466 WeakPolarHBondContact CB-OD1 3.19Å; V1446-N1466 PolarHBondContact N-O 3.33Å; E1462-N1466 PolarHBondContact O-N 3.33Å; T1463-N1466 PolarHBondContact O-N 2.91Å
1467I90.5Very high88.4Confident12 Ų1236.6 Ų36.66%0.06219%0.186CC..EExtended strand (participates in β ladder)trans-127.3154-175.1-79170.2000109.6L1365 M1368 V1446 I1448 I1460 E1462 I1469L1365-I1467 HydrophobicContact CD2-CD1 4.15Å; M1368-I1467 HydrophobicContact CE-CD1 3.49Å; M1368-I1467 VanDerWaalsContact CE-CD1 3.49Å; M1368-I1467 HydrophobicContact CE-CG1 4.46Å; V1446-I1467 WeakPolarHBondContact O-CA 3.36Å; I1448-I1467 HydrophobicContact CD1-CB 4.49Å; I1448-I1467 HydrophobicContact CD1-CD1 3.86Å; I1448-I1467 HydrophobicContact CD1-CG1 4.12Å; I1448-I1467 HydrophobicContact CD1-CG2 3.56Å; I1448-I1467 HydrophobicContact CG1-CG2 3.99Å; I1460-I1467 HydrophobicContact CG2-CD1 3.85Å; E1462-I1467 WeakPolarHBondContact CB-O 3.14Å; E1462-I1467 PolarHBondContact O-N 2.99Å; E1462-I1467 VanDerWaalsContact O-O 3.13Å; I1467-I1469 HydrophobicContact CG2-CG1 3.91Å
1468I92.4Very high87.9Confident6 Ų632.6 Ų32.63%0.03117%0.169CC..EExtended strand (participates in β ladder)trans-129.5122.2163.4-177.4176.5000110.1P1445 V1446 P1447 I1448 L1470 A1649 V1650 T1653P1445-I1468 HydrophobicContact CB-CB 4.36Å; P1445-I1468 HydrophobicContact CB-CG2 4.25Å; P1445-I1468 HydrophobicContact CG-CB 4.44Å; P1445-I1468 HydrophobicContact CG-CG2 4.2Å; V1446-I1468 PolarHBondContact O-N 3.28Å; P1447-I1468 HydrophobicContact CB-CG2 4.16Å; P1447-I1468 HydrophobicContact CG-CG2 4.4Å; I1448-I1468 PolarHBondContact N-O 3.23Å; I1468-L1470 HydrophobicContact CG1-CD1 4.34Å; I1468-L1470 HydrophobicContact CG2-CD1 4.22Å; I1468-A1649 HydrophobicContact CD1-CB 3.84Å; I1468-A1649 WeakPolarHBondContact CD1-O 3.18Å; I1468-V1650 HydrophobicContact CG1-CG2 4.49Å; I1468-T1653 HydrophobicContact CD1-CG2 4.15Å; I1468-T1653 VanDerWaalsContact CD1-OG1 3.24Å; I1468-T1653 WeakPolarHBondContact CD1-OG1 3.23Å
1469I94.9Very high87.6Confident1 Ų126.8 Ų26.81%0.00514%0.141CC..EExtended strand (participates in β ladder)trans-93.1125.2179.5-57.9167.6000109.2I1448 T1450 V1453 L1456 K1457 E1462 I1467 V1650I1448-I1469 WeakPolarHBondContact O-CA 3.39Å; T1450-I1469 HydrophobicContact CG2-CG2 3.66Å; V1453-I1469 HydrophobicContact CB-CG2 4.47Å; V1453-I1469 HydrophobicContact CG1-CG2 4.01Å; V1453-I1469 HydrophobicContact CG2-CG2 4.25Å; L1456-I1469 HydrophobicContact CB-CD1 4.27Å; L1456-I1469 HydrophobicContact CD2-CD1 3.96Å; L1456-I1469 HydrophobicContact CD2-CG1 4.04Å; L1456-I1469 HydrophobicContact CD2-CG2 4.01Å; L1456-I1469 HydrophobicContact CG-CD1 3.86Å; L1456-I1469 HydrophobicContact CG-CG1 4.49Å; K1457-I1469 HydrophobicContact CG-CD1 3.74Å; E1462-I1469 HydrophobicContact CG-CD1 4.06Å; E1462-I1469 HydrophobicContact CG-CG1 4.16Å; E1462-I1469 VanDerWaalsContact OE1-CB 3.31Å; E1462-I1469 WeakPolarHBondContact OE1-CB 3.39Å; E1462-I1469 PolarHBondContact OE1-N 3.45Å; I1467-I1469 HydrophobicContact CG2-CG1 3.91Å; I1469-V1650 WeakPolarHBondContact O-CG2 3.38Å
1470L95.5Very high87.6Confident0 Ų025.2 Ų25.20%013%0.133CC..EExtended strand (participates in β ladder)trans-114.6140.5175.4-62.399.1000110.4P1447 I1448 I1449 T1450 I1468 V1650 T1653 L1654P1447-L1470 HydrophobicContact CB-CD1 4.1Å; I1448-L1470 PolarHBondContact O-N 2.8Å; I1449-L1470 WeakPolarHBondContact CA-O 3.33Å; T1450-L1470 PolarHBondContact N-O 3.06Å; I1468-L1470 HydrophobicContact CG1-CD1 4.34Å; I1468-L1470 HydrophobicContact CG2-CD1 4.22Å; L1470-V1650 HydrophobicContact CD2-CG1 4.37Å; L1470-V1650 HydrophobicContact CG-CG1 4.48Å; L1470-T1653 HydrophobicContact CD2-CG2 4.11Å; L1470-L1654 HydrophobicContact CD2-CD2 3.58Å; L1470-L1654 HydrophobicContact CD2-CG 4.08Å
1471P94.1Very high87.6Confident5 Ų525.1 Ų25.13%0.03213%0.133CC..EExtended strand (participates in β ladder)trans-68.7140.9170.9-5.216.9000111.9V1453 L1473 E1476 S1643 F1644V1453-P1471 HydrophobicContact CG2-CB 3.81Å; V1453-P1471 HydrophobicContact CG2-CG 4Å; P1471-L1473 PolarHBondContact O-N 3.1Å; P1471-E1476 HydrophobicContact CB-CG 3.43Å; P1471-E1476 VanDerWaalsContact CB-CG 3.43Å; P1471-E1476 HydrophobicContact CG-CG 4.49Å; P1471-S1643 WeakPolarHBondContact CG-O 3.45Å; P1471-F1644 HydrophobicContact CB-CE1 3.82Å; P1471-F1644 HydrophobicContact CB-CE2 4.41Å; P1471-F1644 HydrophobicContact CB-CZ 3.71Å; P1471-F1644 HydrophobicContact CG-CD1 3.97Å; P1471-F1644 HydrophobicContact CG-CE1 3.62Å; P1471-F1644 HydrophobicContact CG-CZ 3.97Å
1472C91.8Very high87.5Confident0 Ų022.8 Ų22.80%012%0.12CC..  trans-69.7119.3168.2173.40000109.9I1449 T1450 V1474 S1475 E1476 C1789I1449-C1472 HydrophobicContact CG2-CB 3.95Å; T1450-C1472 VanDerWaalsContact O-CB 3.29Å; T1450-C1472 WeakPolarHBondContact O-CB 3.32Å; T1450-C1472 PolarHBondContact O-N 3.02Å; C1472-V1474 VanDerWaalsContact C-N 3.27Å; C1472-V1474 PolarHBondContact O-N 2.92Å; C1472-S1475 WeakPolarHBondContact CB-OG 3.5Å; C1472-S1475 PolarHBondContact O-N 3.22Å; C1472-S1475 PolarHBondContact O-OG 3.37Å; C1472-E1476 WeakPolarHBondContact O-CG 3.28Å; C1472-E1476 PolarHBondContact O-N 2.92Å; C1472-E1476 VanDerWaalsContact O-N 3.1Å; C1472-C1789 HydrophobicContact CB-CB 4.23Å; C1472-C1789 VanDerWaalsContact CB-SG 3.54Å; C1472-C1789 PolarHBondContact SG-N 3.15Å; C1472-C1789 VanDerWaalsContact SG-N 3.36Å
1473L91.6Very high87.7Confident0 Ų023 Ų230%013%0.125CC..Hα-helixtrans-56.7-40.9-174.6179.961.9000112.7P1471 E1476 L1477 I1595 I1607 I1610 L1611 F1644 L1787P1471-L1473 PolarHBondContact O-N 3.1Å; L1473-E1476 PolarHBondContact O-N 2.83Å; L1473-L1477 HydrophobicContact CD1-CD1 4.37Å; L1473-L1477 HydrophobicContact CD1-CG 4.22Å; L1473-L1477 HydrophobicContact CG-CD1 4.09Å; L1473-L1477 HydrophobicContact CG-CG 4.39Å; L1473-L1477 WeakPolarHBondContact O-CB 3.18Å; L1473-L1477 VanDerWaalsContact O-CG 3.26Å; L1473-L1477 WeakPolarHBondContact O-CG 3.44Å; L1473-L1477 PolarHBondContact O-N 3.27Å; L1473-I1595 HydrophobicContact CD2-CD1 4.22Å; L1473-I1607 HydrophobicContact CB-CG1 4.45Å; L1473-I1610 HydrophobicContact CD2-CB 4.16Å; L1473-I1610 HydrophobicContact CD2-CD1 3.9Å; L1473-I1610 HydrophobicContact CD2-CG2 3.96Å; L1473-L1611 HydrophobicContact CD1-CD2 3.76Å; L1473-L1611 HydrophobicContact CD1-CG 4.03Å; L1473-F1644 HydrophobicContact CD1-CE2 4.04Å; L1473-F1644 HydrophobicContact CD1-CZ 4.17Å; L1473-L1787 HydrophobicContact CB-CD1 4.32Å; L1473-L1787 HydrophobicContact CD2-CD1 3.84Å
1474V86Confident88.2Confident1 Ų117.3 Ų17.31%0.0069%0.09CC..Hα-helixtrans-68.6-35.7-177.6173.60000112.4C1472 S1478 L1592 I1595 I1788 L1795 L1838C1472-V1474 VanDerWaalsContact C-N 3.27Å; C1472-V1474 PolarHBondContact O-N 2.92Å; V1474-S1478 PolarHBondContact O-N 3.37Å; V1474-L1592 HydrophobicContact CB-CD2 4.48Å; V1474-L1592 HydrophobicContact CG1-CD2 4.04Å; V1474-L1592 HydrophobicContact CG2-CD2 4.03Å; V1474-I1595 HydrophobicContact CG2-CD1 4.33Å; V1474-I1595 HydrophobicContact CG2-CG2 4.43Å; V1474-I1788 HydrophobicContact CB-CG2 4.24Å; V1474-I1788 HydrophobicContact CG2-CG2 3.59Å; V1474-L1795 HydrophobicContact CG1-CD2 4.39Å; V1474-L1838 HydrophobicContact CG1-CD1 3.56Å; V1474-L1838 HydrophobicContact CG1-CD2 3.93Å; V1474-L1838 HydrophobicContact CG1-CG 4.42Å
1475S84.4Confident88.7Confident2 Ų210.8 Ų10.81%0.0146%0.06CC..Hα-helixtrans-71.1-42.1174.161.60000111.4N1451 C1472 L1477 S1478 K1479N1451-S1475 WeakPolarHBondContact CA-OG 3.41Å; C1472-S1475 WeakPolarHBondContact CB-OG 3.5Å; C1472-S1475 PolarHBondContact O-N 3.22Å; C1472-S1475 PolarHBondContact O-OG 3.37Å; S1475-L1477 PolarHBondContact O-N 3.49Å; S1475-S1478 PolarHBondContact O-N 2.93Å; S1475-S1478 VanDerWaalsContact O-N 3.13Å; S1475-K1479 WeakPolarHBondContact O-CG 3.48Å; S1475-K1479 PolarHBondContact O-N 2.85Å
1476E89.3Confident89.1Confident5 Ų511.7 Ų11.72%0.0236%0.063CC..Hα-helixtrans-66.9-37-179.7-61.7-45.2104.700112.6P1471 C1472 L1473 S1478 K1479 A1480 L1640 S1643 F1644P1471-E1476 HydrophobicContact CB-CG 3.43Å; P1471-E1476 VanDerWaalsContact CB-CG 3.43Å; P1471-E1476 HydrophobicContact CG-CG 4.49Å; C1472-E1476 WeakPolarHBondContact O-CG 3.28Å; C1472-E1476 PolarHBondContact O-N 2.92Å; C1472-E1476 VanDerWaalsContact O-N 3.1Å; L1473-E1476 PolarHBondContact O-N 2.83Å; E1476-S1478 VanDerWaalsContact C-N 3.27Å; E1476-S1478 PolarHBondContact O-N 2.95Å; E1476-K1479 PolarHBondContact O-N 3.43Å; E1476-K1479 WeakPolarHBondContact OE1-CE 3.46Å; E1476-K1479 IonicContact OE1-NZ 3.93Å; E1476-K1479 PolarHBondContact OE1-NZ 3.47Å; E1476-K1479 IonicContact OE2-NZ 2.64Å; E1476-A1480 VanDerWaalsContact O-CB 3.23Å; E1476-A1480 WeakPolarHBondContact O-CB 3.45Å; E1476-A1480 PolarHBondContact O-N 2.93Å; E1476-L1640 HydrophobicContact CB-CD2 4.18Å; E1476-S1643 VanDerWaalsContact OE2-CB 3.32Å; E1476-S1643 WeakPolarHBondContact OE2-CB 3.37Å; E1476-S1643 PolarHBondContact OE2-OG 2.69Å; E1476-F1644 HydrophobicContact CB-CE2 3.8Å; E1476-F1644 HydrophobicContact CB-CZ 4.35Å; E1476-F1644 HydrophobicContact CG-CE2 3.89Å; E1476-F1644 HydrophobicContact CG-CZ 4.08Å
1477L88.8Confident89.3Confident1 Ų19.9 Ų9.91%0.0055%0.053CC..Hα-helixtrans-57.5-41.7170.3-74171.9000111.8L1473 S1475 L1481 I1588 L1592 L1614 L1640L1473-L1477 HydrophobicContact CD1-CD1 4.37Å; L1473-L1477 HydrophobicContact CD1-CG 4.22Å; L1473-L1477 HydrophobicContact CG-CD1 4.09Å; L1473-L1477 HydrophobicContact CG-CG 4.39Å; L1473-L1477 WeakPolarHBondContact O-CB 3.18Å; L1473-L1477 VanDerWaalsContact O-CG 3.26Å; L1473-L1477 WeakPolarHBondContact O-CG 3.44Å; L1473-L1477 PolarHBondContact O-N 3.27Å; S1475-L1477 PolarHBondContact O-N 3.49Å; L1477-L1481 PolarHBondContact O-N 3.42Å; L1477-I1588 HydrophobicContact CB-CG2 4.45Å; L1477-I1588 HydrophobicContact CD2-CG2 4.43Å; L1477-L1592 HydrophobicContact CD1-CD2 4.11Å; L1477-L1614 HydrophobicContact CD2-CD2 3.35Å; L1477-L1640 HydrophobicContact CD2-CD1 4.05Å; L1477-L1640 HydrophobicContact CD2-CD2 4.23Å
1478S81.5Confident89.2Confident2 Ų212.6 Ų12.61%0.0147%0.068CC..Hα-helixtrans-72.8-39.8179.1-164.80000113V1474 S1475 E1476 L1482 L1834 L1835V1474-S1478 PolarHBondContact O-N 3.37Å; S1475-S1478 PolarHBondContact O-N 2.93Å; S1475-S1478 VanDerWaalsContact O-N 3.13Å; E1476-S1478 VanDerWaalsContact C-N 3.27Å; E1476-S1478 PolarHBondContact O-N 2.95Å; S1478-L1482 WeakPolarHBondContact O-CB 3.42Å; S1478-L1482 PolarHBondContact O-N 3.09Å; S1478-L1834 VanDerWaalsContact CB-CD2 3.47Å; S1478-L1834 VanDerWaalsContact OG-CA 3.3Å; S1478-L1834 WeakPolarHBondContact OG-CA 3.25Å; S1478-L1834 WeakPolarHBondContact OG-CD2 3.35Å; S1478-L1835 PolarHBondContact OG-N 3.06Å
1479K84Confident89.1Confident44 Ų4416.5 Ų16.519%0.1919%0.088CC..Hα-helixtrans-63.8-43.9174.2-68.4178.9-165164.60111.1N1451 S1475 E1476 L1481 L1482 V1483 Y1639N1451-K1479 VanDerWaalsContact O-CE 3.31Å; N1451-K1479 WeakPolarHBondContact O-CE 3.35Å; N1451-K1479 PolarHBondContact O-NZ 3.46Å; S1475-K1479 WeakPolarHBondContact O-CG 3.48Å; S1475-K1479 PolarHBondContact O-N 2.85Å; E1476-K1479 PolarHBondContact O-N 3.43Å; E1476-K1479 WeakPolarHBondContact OE1-CE 3.46Å; E1476-K1479 IonicContact OE1-NZ 3.93Å; E1476-K1479 PolarHBondContact OE1-NZ 3.47Å; E1476-K1479 IonicContact OE2-NZ 2.64Å; K1479-L1481 VanDerWaalsContact C-N 3.32Å; K1479-L1481 PolarHBondContact O-N 2.93Å; K1479-L1482 CarbonylContact O-C 3.55Å; K1479-L1482 WeakPolarHBondContact O-CA 3.25Å; K1479-L1482 WeakPolarHBondContact O-CB 3.37Å; K1479-L1482 PolarHBondContact O-N 3.11Å; K1479-V1483 VanDerWaalsContact O-CG2 3.26Å; K1479-V1483 WeakPolarHBondContact O-CG2 3.24Å; K1479-V1483 PolarHBondContact O-N 3.04Å; K1479-Y1639 HydrophobicContact CB-CE1 3.58Å; K1479-Y1639 HydrophobicContact CD-CE1 4.38Å; K1479-Y1639 WeakPolarHBondContact CD-OH 3.26Å
1480A90.4Very high88.8Confident0 Ų016.5 Ų16.50%09%0.088CC..Hα-helixtrans-56.8-45.1179.100000112.2E1476 G1484 I1636 Y1639 L1640E1476-A1480 VanDerWaalsContact O-CB 3.23Å; E1476-A1480 WeakPolarHBondContact O-CB 3.45Å; E1476-A1480 PolarHBondContact O-N 2.93Å; A1480-G1484 PolarHBondContact O-N 3.28Å; A1480-I1636 HydrophobicContact CB-CB 4.49Å; A1480-I1636 HydrophobicContact CB-CG2 3.89Å; A1480-Y1639 HydrophobicContact CB-CD1 3.62Å; A1480-Y1639 HydrophobicContact CB-CE1 4.5Å; A1480-Y1639 HydrophobicContact CB-CG 4.09Å; A1480-L1640 HydrophobicContact CB-CD1 4.4Å; A1480-L1640 HydrophobicContact CB-CD2 3.95Å; A1480-L1640 HydrophobicContact CB-CG 3.8Å
1481L89.5Confident88.5Confident0 Ų017.5 Ų17.50%09%0.092CC..Hα-helixtrans-66.6-39.5173.6-86.4167000112.6L1477 K1479 G1484 L1485 V1584 F1585 I1588 F1632 I1636 L1835L1477-L1481 PolarHBondContact O-N 3.42Å; K1479-L1481 VanDerWaalsContact C-N 3.32Å; K1479-L1481 PolarHBondContact O-N 2.93Å; L1481-G1484 PolarHBondContact O-N 3.22Å; L1481-L1485 WeakPolarHBondContact O-CG 3.4Å; L1481-L1485 PolarHBondContact O-N 2.88Å; L1481-V1584 HydrophobicContact CD2-CG1 4.48Å; L1481-F1585 HydrophobicContact CD1-CD1 4.15Å; L1481-F1585 HydrophobicContact CD1-CE1 4.13Å; L1481-F1585 HydrophobicContact CD2-CD1 4.18Å; L1481-F1585 HydrophobicContact CD2-CE1 3.83Å; L1481-F1585 HydrophobicContact CD2-CZ 4.23Å; L1481-F1585 HydrophobicContact CG-CE1 4.45Å; L1481-I1588 HydrophobicContact CD1-CB 4.01Å; L1481-I1588 HydrophobicContact CD1-CD1 3.54Å; L1481-I1588 HydrophobicContact CD1-CG1 4.36Å; L1481-I1588 HydrophobicContact CD1-CG2 3.74Å; L1481-I1588 HydrophobicContact CD2-CD1 4.01Å; L1481-I1588 HydrophobicContact CG-CD1 3.73Å; L1481-F1632 HydrophobicContact CD2-CE1 3.94Å; L1481-F1632 HydrophobicContact CD2-CE2 3.97Å; L1481-F1632 HydrophobicContact CD2-CZ 3.34Å; L1481-I1636 HydrophobicContact CD2-CD1 3.52Å; L1481-I1636 HydrophobicContact CD2-CG1 4.2Å; L1481-I1636 HydrophobicContact CG-CD1 4.21Å; L1481-I1636 HydrophobicContact CG-CG1 4.47Å; L1481-L1835 HydrophobicContact CB-CD1 3.61Å; L1481-L1835 HydrophobicContact CD1-CD1 3.38Å; L1481-L1835 HydrophobicContact CD1-CD2 3.35Å; L1481-L1835 HydrophobicContact CD1-CG 3.96Å; L1481-L1835 HydrophobicContact CG-CD1 4.13Å
1482L84.4Confident88.2Confident13 Ų1321.3 Ų21.37%0.06811%0.112CC..Hα-helixtrans-64.2-38.8176.8-16871.4000112.4S1478 K1479 N1486 C1527 F1828 P1829S1478-L1482 WeakPolarHBondContact O-CB 3.42Å; S1478-L1482 PolarHBondContact O-N 3.09Å; K1479-L1482 CarbonylContact O-C 3.55Å; K1479-L1482 WeakPolarHBondContact O-CA 3.25Å; K1479-L1482 WeakPolarHBondContact O-CB 3.37Å; K1479-L1482 PolarHBondContact O-N 3.11Å; L1482-N1486 PolarHBondContact O-N 2.76Å; L1482-C1527 HydrophobicContact CD1-CB 4.28Å; L1482-F1828 HydrophobicContact CD1-CD1 4.12Å; L1482-F1828 HydrophobicContact CD1-CE1 3.65Å; L1482-F1828 HydrophobicContact CG-CD1 4.08Å; L1482-F1828 HydrophobicContact CG-CE1 3.9Å; L1482-F1828 WeakPolarHBondContact O-CE1 3.4Å; L1482-P1829 WeakPolarHBondContact CD2-O 3.32Å
1483V88.4Confident88.1Confident58 Ų5822.3 Ų22.335%0.35212%0.117SC..Hα-helixtrans-73.9-34.4173.8103.20000111.8K1479 L1485 N1486 T1487 T1635 Y1639K1479-V1483 VanDerWaalsContact O-CG2 3.26Å; K1479-V1483 WeakPolarHBondContact O-CG2 3.24Å; K1479-V1483 PolarHBondContact O-N 3.04Å; V1483-L1485 VanDerWaalsContact C-N 3.35Å; V1483-L1485 PolarHBondContact O-N 3.4Å; V1483-N1486 PolarHBondContact O-N 3.04Å; V1483-N1486 VanDerWaalsContact O-N 3.07Å; V1483-T1487 PolarHBondContact O-N 3.43Å; V1483-T1635 HydrophobicContact CG1-CG2 3.75Å; V1483-Y1639 HydrophobicContact CG1-CD2 3.89Å; V1483-Y1639 HydrophobicContact CG1-CG 4.37Å; V1483-Y1639 HydrophobicContact CG2-CD2 3.78Å; V1483-Y1639 HydrophobicContact CG2-CE2 3.79Å
1484G91Very high87.8Confident0 Ų022.4 Ų22.40%012%0.118CC..Hα-helixtrans-55.3-47.3169.500000112.4A1480 L1481 N1486 T1487A1480-G1484 PolarHBondContact O-N 3.28Å; L1481-G1484 PolarHBondContact O-N 3.22Å; G1484-N1486 PolarHBondContact O-N 3.13Å; G1484-T1487 WeakPolarHBondContact O-CB 3.48Å; G1484-T1487 VanDerWaalsContact O-CG2 3.29Å; G1484-T1487 WeakPolarHBondContact O-CG2 3.19Å; G1484-T1487 PolarHBondContact O-N 3.14Å; G1484-T1487 PolarHBondContact O-OG1 3.2Å
1485L89Confident87.9Confident0 Ų024.8 Ų24.80%013%0.128CC..Hα-helixtrans-64.9-18.4176-73.8-176.2000114.4L1481 V1483 I1490 I1494 C1528 V1531 F1585 F1632 F1828L1481-L1485 WeakPolarHBondContact O-CG 3.4Å; L1481-L1485 PolarHBondContact O-N 2.88Å; V1483-L1485 VanDerWaalsContact C-N 3.35Å; V1483-L1485 PolarHBondContact O-N 3.4Å; L1485-I1490 HydrophobicContact CD2-CG2 3.94Å; L1485-I1494 HydrophobicContact CD2-CD1 4.02Å; L1485-C1528 HydrophobicContact CD1-CB 4.32Å; L1485-V1531 HydrophobicContact CD1-CB 4.23Å; L1485-V1531 HydrophobicContact CD1-CG1 4.32Å; L1485-V1531 HydrophobicContact CD1-CG2 4.13Å; L1485-V1531 HydrophobicContact CD2-CG1 3.91Å; L1485-F1585 HydrophobicContact CD1-CZ 4.08Å; L1485-F1585 HydrophobicContact CD2-CE2 4.28Å; L1485-F1585 HydrophobicContact CD2-CZ 3.94Å; L1485-F1585 HydrophobicContact CG-CZ 4.2Å; L1485-F1632 HydrophobicContact CD2-CE2 4Å; L1485-F1632 HydrophobicContact CD2-CZ 4.07Å; L1485-F1632 HydrophobicContact CG-CE2 4.23Å; L1485-F1632 HydrophobicContact CG-CZ 4.47Å; L1485-F1828 HydrophobicContact CB-CZ 4.35Å
1486N87Confident87.9Confident41 Ų4127.5 Ų27.522%0.21914%0.142CC..THydrogen-bonded Turntrans-95.25.6177.7-158.912.5000113.4L1482 V1483 G1484 R1491 F1828L1482-N1486 PolarHBondContact O-N 2.76Å; V1483-N1486 PolarHBondContact O-N 3.04Å; V1483-N1486 VanDerWaalsContact O-N 3.07Å; G1484-N1486 PolarHBondContact O-N 3.13Å; N1486-R1491 PolarHBondContact O-NH2 2.66Å; N1486-R1491 PolarHBondContact OD1-NE 2.87Å; N1486-F1828 HydrophobicContact CB-CD1 3.92Å; N1486-F1828 HydrophobicContact CB-CD2 4.24Å; N1486-F1828 HydrophobicContact CB-CE1 3.73Å; N1486-F1828 HydrophobicContact CB-CE2 4.07Å; N1486-F1828 HydrophobicContact CB-CG 4.15Å; N1486-F1828 HydrophobicContact CB-CZ 3.8Å; N1486-F1828 WeakPolarHBondContact ND2-CB 3.3Å; N1486-F1828 WeakPolarHBondContact ND2-CG 3.22Å; N1486-F1828 WeakPolarHBondContact OD1-CD2 3.5Å
1487T90.5Very high87.8Confident16 Ų1627.2 Ų27.210%0.09814%0.141CC..SBendtrans-57.5150.6164.653.10000110.5V1483 G1484 I1489 I1490 R1491 E1631 T1635V1483-T1487 PolarHBondContact O-N 3.43Å; G1484-T1487 WeakPolarHBondContact O-CB 3.48Å; G1484-T1487 VanDerWaalsContact O-CG2 3.29Å; G1484-T1487 WeakPolarHBondContact O-CG2 3.19Å; G1484-T1487 PolarHBondContact O-N 3.14Å; G1484-T1487 PolarHBondContact O-OG1 3.2Å; T1487-I1489 PolarHBondContact O-N 3.14Å; T1487-I1490 WeakPolarHBondContact OG1-CB 3.15Å; T1487-I1490 WeakPolarHBondContact OG1-CD1 3.18Å; T1487-I1490 VanDerWaalsContact OG1-CG1 3.29Å; T1487-I1490 WeakPolarHBondContact OG1-CG1 3.3Å; T1487-R1491 WeakPolarHBondContact O-CB 3.29Å; T1487-R1491 PolarHBondContact O-N 3.26Å; T1487-E1631 WeakPolarHBondContact CB-OE1 3.26Å; T1487-E1631 HydrophobicContact CG2-CG 4.21Å; T1487-T1635 HydrophobicContact CG2-CG2 3.99Å
1488D88.8Confident87.6Confident69 Ų6927.5 Ų27.537%0.36914%0.142SC..Hα-helixtrans-67-37.7-174.8-78.5-49.7000112.6R1491 N1492 K1825D1488-R1491 IonicContact OD1-CZ 3.68Å; D1488-R1491 IonicContact OD1-NH1 3.97Å; D1488-R1491 PolarHBondContact OD1-NH1 2.96Å; D1488-R1491 IonicContact OD1-NH2 2.74Å; D1488-R1491 PolarHBondContact OD1-NH2 3.07Å; D1488-N1492 WeakPolarHBondContact O-CB 3.29Å; D1488-N1492 PolarHBondContact O-N 3.49Å; D1488-N1492 PolarHBondContact O-ND2 3.42Å; D1488-K1825 WeakPolarHBondContact OD1-CE 3.39Å; D1488-K1825 IonicContact OD1-NZ 2.84Å; D1488-K1825 PolarHBondContact OD1-NZ 2.85Å; D1488-K1825 IonicContact OD2-NZ 2.7Å; D1488-K1825 PolarHBondContact OD2-NZ 3.32Å
1489I89.2Confident87.7Confident89 Ų8932.3 Ų32.346%0.45616%0.163SC..Hα-helixtrans-70.5-43.5-178.2-48.6-165.3000110.6T1487 N1492 L1493 I1628 E1631T1487-I1489 PolarHBondContact O-N 3.14Å; I1489-N1492 PolarHBondContact O-N 3.17Å; I1489-L1493 PolarHBondContact O-N 2.85Å; I1489-I1628 HydrophobicContact CB-CD1 4.43Å; I1489-I1628 HydrophobicContact CB-CG1 4.25Å; I1489-I1628 HydrophobicContact CG2-CB 4.26Å; I1489-I1628 HydrophobicContact CG2-CD1 3.68Å; I1489-I1628 HydrophobicContact CG2-CG1 3.77Å; I1489-E1631 WeakPolarHBondContact CB-OE2 3.3Å; I1489-E1631 VanDerWaalsContact CD1-OE2 3.25Å; I1489-E1631 WeakPolarHBondContact CD1-OE2 3.5Å; I1489-E1631 VanDerWaalsContact CG1-OE2 3.22Å; I1489-E1631 WeakPolarHBondContact CG1-OE2 3.26Å
1490I89.8Confident87.7Confident1 Ų131.6 Ų31.61%0.00516%0.162CC..Hα-helixtrans-71.2-38.2178.2-57.5177.7000111.6L1485 T1487 N1492 L1493 I1494 I1581 I1628 F1632L1485-I1490 HydrophobicContact CD2-CG2 3.94Å; T1487-I1490 WeakPolarHBondContact OG1-CB 3.15Å; T1487-I1490 WeakPolarHBondContact OG1-CD1 3.18Å; T1487-I1490 VanDerWaalsContact OG1-CG1 3.29Å; T1487-I1490 WeakPolarHBondContact OG1-CG1 3.3Å; I1490-N1492 PolarHBondContact O-N 2.64Å; I1490-L1493 WeakPolarHBondContact O-CB 3.31Å; I1490-L1493 PolarHBondContact O-N 3Å; I1490-I1494 HydrophobicContact CG2-CD1 3.8Å; I1490-I1494 HydrophobicContact CG2-CG1 4.34Å; I1490-I1494 WeakPolarHBondContact O-CG1 3.5Å; I1490-I1494 PolarHBondContact O-N 3.39Å; I1490-I1581 HydrophobicContact CG1-CD1 4.41Å; I1490-I1628 HydrophobicContact CD1-CG1 4.49Å; I1490-I1628 HydrophobicContact CG1-CD1 3.94Å; I1490-I1628 HydrophobicContact CG1-CG1 3.68Å; I1490-F1632 HydrophobicContact CD1-CB 3.55Å; I1490-F1632 HydrophobicContact CD1-CD2 3.27Å; I1490-F1632 HydrophobicContact CD1-CE2 4.05Å; I1490-F1632 HydrophobicContact CD1-CG 3.56Å
1491R88.2Confident87.2Confident21 Ų2132.6 Ų32.68%0.07917%0.166CC..Hα-helixtrans-62.3-32.3172.6172.1149.742.2549.2112.1N1486 T1487 D1488 K1495 Y1820N1486-R1491 PolarHBondContact O-NH2 2.66Å; N1486-R1491 PolarHBondContact OD1-NE 2.87Å; T1487-R1491 WeakPolarHBondContact O-CB 3.29Å; T1487-R1491 PolarHBondContact O-N 3.26Å; D1488-R1491 IonicContact OD1-CZ 3.68Å; D1488-R1491 IonicContact OD1-NH1 3.97Å; D1488-R1491 PolarHBondContact OD1-NH1 2.96Å; D1488-R1491 IonicContact OD1-NH2 2.74Å; D1488-R1491 PolarHBondContact OD1-NH2 3.07Å; R1491-K1495 WeakPolarHBondContact O-CB 3.45Å; R1491-K1495 WeakPolarHBondContact O-CD 3.21Å; R1491-K1495 WeakPolarHBondContact O-CG 3.13Å; R1491-K1495 PolarHBondContact O-N 3.46Å; R1491-Y1820 HydrophobicContact CB-CD1 4.27Å; R1491-Y1820 HydrophobicContact CB-CE1 4.39Å; R1491-Y1820 HydrophobicContact CG-CD1 3.95Å; R1491-Y1820 HydrophobicContact CG-CE1 4.49Å
1492N87.9Confident86.6Confident84 Ų8436.1 Ų36.145%0.44918%0.183SC..Hα-helixtrans-74.9-40.4172.9-71.5-14.4000112.7D1488 I1489 I1490 I1494 K1495 N1496D1488-N1492 WeakPolarHBondContact O-CB 3.29Å; D1488-N1492 PolarHBondContact O-N 3.49Å; D1488-N1492 PolarHBondContact O-ND2 3.42Å; I1489-N1492 PolarHBondContact O-N 3.17Å; I1490-N1492 PolarHBondContact O-N 2.64Å; N1492-I1494 PolarHBondContact O-N 2.88Å; N1492-K1495 WeakPolarHBondContact O-CB 3.49Å; N1492-K1495 PolarHBondContact O-N 2.99Å; N1492-N1496 PolarHBondContact O-N 2.89Å
1493L89.6Confident86.1Confident21 Ų2139 Ų3911%0.1120%0.203CC..Hα-helixtrans-56.2-48.9171.2175.664.4000111.1I1489 I1490 N1496 L1497 I1573 I1581 I1628I1489-L1493 PolarHBondContact O-N 2.85Å; I1490-L1493 WeakPolarHBondContact O-CB 3.31Å; I1490-L1493 PolarHBondContact O-N 3Å; L1493-N1496 PolarHBondContact O-N 2.83Å; L1493-N1496 VanDerWaalsContact O-N 3.12Å; L1493-L1497 HydrophobicContact CD1-CD1 4.22Å; L1493-L1497 HydrophobicContact CD1-CG 4.3Å; L1493-L1497 HydrophobicContact CG-CD1 3.98Å; L1493-L1497 HydrophobicContact CG-CG 4.48Å; L1493-L1497 WeakPolarHBondContact O-CG 3.22Å; L1493-L1497 PolarHBondContact O-N 2.77Å; L1493-I1573 HydrophobicContact CD1-CG2 3.39Å; L1493-I1581 HydrophobicContact CD2-CD1 3.5Å; L1493-I1628 HydrophobicContact CB-CD1 4.18Å; L1493-I1628 HydrophobicContact CD2-CD1 3.85Å
1494I87.1Confident85.3Confident2 Ų239.1 Ų39.11%0.0120%0.199CC..Hα-helixtrans-65.8-40.3179.9-66.5167.3000111.2L1485 I1490 N1492 N1496 L1497 L1498 V1531 L1534 Y1820L1485-I1494 HydrophobicContact CD2-CD1 4.02Å; I1490-I1494 HydrophobicContact CG2-CD1 3.8Å; I1490-I1494 HydrophobicContact CG2-CG1 4.34Å; I1490-I1494 WeakPolarHBondContact O-CG1 3.5Å; I1490-I1494 PolarHBondContact O-N 3.39Å; N1492-I1494 PolarHBondContact O-N 2.88Å; I1494-N1496 VanDerWaalsContact C-N 3.27Å; I1494-N1496 PolarHBondContact O-N 3.25Å; I1494-L1497 PolarHBondContact O-N 2.96Å; I1494-L1498 HydrophobicContact CG2-CD1 3.91Å; I1494-L1498 HydrophobicContact CG2-CG 4.3Å; I1494-L1498 WeakPolarHBondContact O-CB 3.49Å; I1494-L1498 VanDerWaalsContact O-CG 3.22Å; I1494-L1498 WeakPolarHBondContact O-CG 3.21Å; I1494-L1498 PolarHBondContact O-N 3.43Å; I1494-V1531 HydrophobicContact CD1-CG1 3.69Å; I1494-V1531 HydrophobicContact CD1-CG2 4.03Å; I1494-V1531 HydrophobicContact CG1-CG1 4.28Å; I1494-L1534 HydrophobicContact CG2-CD2 4.41Å; I1494-Y1820 HydrophobicContact CB-CD1 3.92Å; I1494-Y1820 HydrophobicContact CB-CE1 4.03Å; I1494-Y1820 HydrophobicContact CB-CG 4.36Å; I1494-Y1820 HydrophobicContact CD1-CD1 4.37Å; I1494-Y1820 HydrophobicContact CD1-CE1 3.6Å; I1494-Y1820 HydrophobicContact CG1-CE1 4.42Å; I1494-Y1820 HydrophobicContact CG2-CD1 3.67Å; I1494-Y1820 HydrophobicContact CG2-CD2 3.77Å; I1494-Y1820 HydrophobicContact CG2-CE1 3.9Å; I1494-Y1820 HydrophobicContact CG2-CE2 3.99Å; I1494-Y1820 HydrophobicContact CG2-CG 3.62Å
1495K86.1Confident84.2Confident52 Ų5240.9 Ų40.923%0.22621%0.21CC..Hα-helixtrans-54.8-42.1170.6-79166.7-173.1-780111.7R1491 N1492 K1499 Y1820 S1822R1491-K1495 WeakPolarHBondContact O-CB 3.45Å; R1491-K1495 WeakPolarHBondContact O-CD 3.21Å; R1491-K1495 WeakPolarHBondContact O-CG 3.13Å; R1491-K1495 PolarHBondContact O-N 3.46Å; N1492-K1495 WeakPolarHBondContact O-CB 3.49Å; N1492-K1495 PolarHBondContact O-N 2.99Å; K1495-K1499 WeakPolarHBondContact O-CG 3.46Å; K1495-K1499 PolarHBondContact O-N 2.97Å; K1495-Y1820 WeakPolarHBondContact CE-O 3.5Å; K1495-Y1820 WeakPolarHBondContact CG-O 3.41Å; K1495-Y1820 PolarHBondContact NZ-O 3.33Å; K1495-S1822 PolarHBondContact NZ-O 3.11Å
1496N86.1Confident82.5Confident58 Ų5848.4 Ų48.431%0.3125%0.247SC..Hα-helixtrans-74.5-41-180-75.2-7.2000112.8N1492 L1493 I1494 L1498 K1499 V1500 I1573N1492-N1496 PolarHBondContact O-N 2.89Å; L1493-N1496 PolarHBondContact O-N 2.83Å; L1493-N1496 VanDerWaalsContact O-N 3.12Å; I1494-N1496 VanDerWaalsContact C-N 3.27Å; I1494-N1496 PolarHBondContact O-N 3.25Å; N1496-L1498 VanDerWaalsContact C-N 3.29Å; N1496-L1498 PolarHBondContact O-N 2.81Å; N1496-K1499 WeakPolarHBondContact O-CB 3.45Å; N1496-K1499 PolarHBondContact O-N 3.44Å; N1496-K1499 PolarHBondContact OD1-NZ 2.97Å; N1496-V1500 PolarHBondContact O-N 3.24Å; N1496-I1573 HydrophobicContact CB-CD1 3.94Å
1497L86.4Confident80.8Confident0 Ų054.4 Ų54.40%027%0.271CS..Hα-helixtrans-59.2-39.6172.7-70.8169.3000112.1L1493 I1494 V1500 Y1501 L1534 L1535 Y1538 I1573 V1578L1493-L1497 HydrophobicContact CD1-CD1 4.22Å; L1493-L1497 HydrophobicContact CD1-CG 4.3Å; L1493-L1497 HydrophobicContact CG-CD1 3.98Å; L1493-L1497 HydrophobicContact CG-CG 4.48Å; L1493-L1497 WeakPolarHBondContact O-CG 3.22Å; L1493-L1497 PolarHBondContact O-N 2.77Å; I1494-L1497 PolarHBondContact O-N 2.96Å; L1497-V1500 PolarHBondContact O-N 3.43Å; L1497-Y1501 PolarHBondContact O-N 2.98Å; L1497-L1534 HydrophobicContact CB-CD2 4.15Å; L1497-L1534 HydrophobicContact CB-CG 4.39Å; L1497-L1535 HydrophobicContact CD1-CD2 3.61Å; L1497-Y1538 HydrophobicContact CD2-CD1 3.77Å; L1497-Y1538 HydrophobicContact CD2-CD2 3.63Å; L1497-Y1538 HydrophobicContact CD2-CE1 4.2Å; L1497-Y1538 HydrophobicContact CD2-CE2 4.07Å; L1497-Y1538 HydrophobicContact CD2-CG 3.47Å; L1497-Y1538 VanDerWaalsContact CD2-CG 3.47Å; L1497-I1573 HydrophobicContact CD2-CD1 4.23Å; L1497-I1573 HydrophobicContact CD2-CG2 3.98Å; L1497-I1573 HydrophobicContact CG-CG2 4.42Å; L1497-V1578 HydrophobicContact CD2-CG2 4.45Å
1498L85.1Confident78.7Confident6 Ų660.3 Ų60.33%0.03130%0.302CS..Hα-helixtrans-64.2-39.8175.1-72.5167.7000112.6I1494 N1496 Y1501 Q1502 L1534 L1813 L1816I1494-L1498 HydrophobicContact CG2-CD1 3.91Å; I1494-L1498 HydrophobicContact CG2-CG 4.3Å; I1494-L1498 WeakPolarHBondContact O-CB 3.49Å; I1494-L1498 VanDerWaalsContact O-CG 3.22Å; I1494-L1498 WeakPolarHBondContact O-CG 3.21Å; I1494-L1498 PolarHBondContact O-N 3.43Å; N1496-L1498 VanDerWaalsContact C-N 3.29Å; N1496-L1498 PolarHBondContact O-N 2.81Å; L1498-Y1501 PolarHBondContact O-N 3.41Å; L1498-Q1502 VanDerWaalsContact O-CG 3.26Å; L1498-Q1502 WeakPolarHBondContact O-CG 3.22Å; L1498-Q1502 PolarHBondContact O-N 3.33Å; L1498-L1534 HydrophobicContact CD2-CD2 3.73Å; L1498-L1534 HydrophobicContact CG-CD2 3.91Å; L1498-L1813 HydrophobicContact CD2-CD1 3.7Å; L1498-L1813 HydrophobicContact CD2-CG 3.79Å; L1498-L1816 HydrophobicContact CD1-CB 4.1Å; L1498-L1816 HydrophobicContact CD2-CB 3.8Å; L1498-L1816 HydrophobicContact CD2-CD1 4.36Å
1499K83.3Confident76.5Confident103 Ų10361 Ų6145%0.44831%0.305SS..Hα-helixtrans-59.1-48.9171.7-66.3169.2-172.3165.90110.8K1495 N1496 Y1501 Q1502 C1503K1495-K1499 WeakPolarHBondContact O-CG 3.46Å; K1495-K1499 PolarHBondContact O-N 2.97Å; N1496-K1499 WeakPolarHBondContact O-CB 3.45Å; N1496-K1499 PolarHBondContact O-N 3.44Å; N1496-K1499 PolarHBondContact OD1-NZ 2.97Å; K1499-Y1501 VanDerWaalsContact C-N 3.32Å; K1499-Y1501 PolarHBondContact O-N 3.28Å; K1499-Q1502 PolarHBondContact O-N 2.71Å; K1499-Q1502 VanDerWaalsContact O-N 3.11Å; K1499-C1503 PolarHBondContact O-N 3.46Å; K1499-C1503 PolarHBondContact O-SG 3.07Å
1500V83.1Confident74Confident29 Ų2963.2 Ų63.218%0.17632%0.323CS..Hα-helixtrans-62.3-39.8-178.4176.60000111.4N1496 L1497 C1503 K1504 W1537 Y1538 I1573N1496-V1500 PolarHBondContact O-N 3.24Å; L1497-V1500 PolarHBondContact O-N 3.43Å; V1500-C1503 PolarHBondContact O-N 2.81Å; V1500-K1504 PolarHBondContact O-N 3.06Å; V1500-W1537 HydrophobicContact CG1-CH2 4.35Å; V1500-Y1538 HydrophobicContact CG1-CD2 4.46Å; V1500-Y1538 HydrophobicContact CG1-CE2 4.15Å; V1500-I1573 HydrophobicContact CG2-CD1 3.76Å
1501Y81.1Confident71.1Confident21 Ų2170.7 Ų70.78%0.08236%0.358CS..Hα-helixtrans-60.4-46.2171.8-173.7-76.2000112.2L1497 L1498 K1499 C1503 K1504 T1505 L1534 W1537 P1809 D1810 L1813L1497-Y1501 PolarHBondContact O-N 2.98Å; L1498-Y1501 PolarHBondContact O-N 3.41Å; K1499-Y1501 VanDerWaalsContact C-N 3.32Å; K1499-Y1501 PolarHBondContact O-N 3.28Å; Y1501-C1503 PolarHBondContact O-N 3.22Å; Y1501-K1504 PolarHBondContact O-N 2.8Å; Y1501-T1505 HydrophobicContact CD1-CG2 3.83Å; Y1501-T1505 HydrophobicContact CE1-CG2 3.39Å; Y1501-T1505 HydrophobicContact CE2-CG2 4.5Å; Y1501-T1505 WeakPolarHBondContact O-CB 3.26Å; Y1501-T1505 PolarHBondContact O-N 3.35Å; Y1501-T1505 PolarHBondContact O-OG1 2.98Å; Y1501-L1534 HydrophobicContact CD2-CD1 4.17Å; Y1501-W1537 VanDerWaalsContact CA-CH2 3.42Å; Y1501-W1537 AromaticContact CD2-CD2 3.6Å; Y1501-W1537 HydrophobicContact CD2-CD2 3.6Å; Y1501-W1537 AromaticContact CD2-CE2 3.64Å; Y1501-W1537 AromaticContact CD2-CE3 3.72Å; Y1501-W1537 HydrophobicContact CD2-CE3 3.72Å; Y1501-W1537 HydrophobicContact CD2-CG 4.26Å; Y1501-W1537 AromaticContact CD2-CH2 3.96Å; Y1501-W1537 HydrophobicContact CD2-CH2 3.96Å; Y1501-W1537 AromaticContact CD2-CZ2 3.83Å; Y1501-W1537 HydrophobicContact CD2-CZ2 3.83Å; Y1501-W1537 AromaticContact CD2-CZ3 3.9Å; Y1501-W1537 HydrophobicContact CD2-CZ3 3.9Å; Y1501-W1537 HydrophobicContact CE2-CD2 4.1Å; Y1501-W1537 HydrophobicContact CE2-CG 4.33Å; Y1501-W1537 HydrophobicContact CG-CH2 4.25Å; Y1501-W1537 HydrophobicContact CG-CZ2 4.38Å; Y1501-W1537 HydrophobicContact CG-CZ3 4.31Å; Y1501-P1809 WeakPolarHBondContact OH-CB 3.48Å; Y1501-D1810 PolarHBondContact OH-OD1 3.43Å; Y1501-L1813 HydrophobicContact CD1-CD1 3.41Å; Y1501-L1813 VanDerWaalsContact CD1-CD1 3.41Å; Y1501-L1813 HydrophobicContact CD1-CD2 3.32Å; Y1501-L1813 HydrophobicContact CD1-CG 3.94Å; Y1501-L1813 HydrophobicContact CD2-CD1 3.69Å; Y1501-L1813 HydrophobicContact CE1-CB 4.47Å; Y1501-L1813 HydrophobicContact CE1-CD1 3.7Å; Y1501-L1813 HydrophobicContact CE1-CD2 3.53Å; Y1501-L1813 HydrophobicContact CE1-CG 4.05Å; Y1501-L1813 HydrophobicContact CE2-CD1 3.95Å; Y1501-L1813 HydrophobicContact CG-CD1 3.41Å; Y1501-L1813 VanDerWaalsContact CG-CD1 3.41Å; Y1501-L1813 HydrophobicContact CG-CD2 4.16Å; Y1501-L1813 HydrophobicContact CG-CG 4.4Å
1502Q76.6Confident68.2Low74 Ų7479.7 Ų79.735%0.34639%0.393SS..Hα-helixtrans-63.5-40.9178.8-71.2167400111.6L1498 K1499 T1505 M1506 L1813 T1817L1498-Q1502 VanDerWaalsContact O-CG 3.26Å; L1498-Q1502 WeakPolarHBondContact O-CG 3.22Å; L1498-Q1502 PolarHBondContact O-N 3.33Å; K1499-Q1502 PolarHBondContact O-N 2.71Å; K1499-Q1502 VanDerWaalsContact O-N 3.11Å; Q1502-T1505 PolarHBondContact O-OG1 3.43Å; Q1502-M1506 WeakPolarHBondContact O-CB 3.32Å; Q1502-M1506 WeakPolarHBondContact O-CG 3.32Å; Q1502-M1506 PolarHBondContact O-N 3.29Å; Q1502-L1813 HydrophobicContact CG-CD2 4.35Å; Q1502-T1817 PolarHBondContact NE2-OG1 3.12Å
1503C73.4Confident65.5Low74 Ų7481.4 Ų81.450%0.541%0.411SS..Hα-helixtrans-67.1-41.1176.1-66.40000112.9K1499 V1500 Y1501K1499-C1503 PolarHBondContact O-N 3.46Å; K1499-C1503 PolarHBondContact O-SG 3.07Å; V1500-C1503 PolarHBondContact O-N 2.81Å; Y1501-C1503 PolarHBondContact O-N 3.22Å
1504K72.1Confident62.8Low61 Ų6186.3 Ų86.327%0.26544%0.442SS..Hα-helixtrans-69.5-41175.2-88.3-165163.2-170.60112.2V1500 Y1501 K1507 W1537 E1541 D1545V1500-K1504 PolarHBondContact O-N 3.06Å; Y1501-K1504 PolarHBondContact O-N 2.8Å; K1504-K1507 PolarHBondContact O-N 3.43Å; K1504-W1537 HydrophobicContact CB-CZ2 4.28Å; K1504-W1537 HydrophobicContact CD-CH2 4.33Å; K1504-W1537 HydrophobicContact CD-CZ2 4.11Å; K1504-E1541 WeakPolarHBondContact CD-OE2 3.47Å; K1504-E1541 IonicContact NZ-OE2 3.19Å; K1504-E1541 PolarHBondContact NZ-OE2 3.22Å; K1504-D1545 IonicContact NZ-OD1 2.64Å; K1504-D1545 IonicContact NZ-OD2 2.93Å; K1504-D1545 PolarHBondContact NZ-OD2 2.92Å
1505T67.6Low60Low37 Ų3793.1 Ų93.123%0.22748%0.479CS..Hα-helixtrans-70.7-39.3179.446.60000113Y1501 Q1502 K1507 N1508 I1509Y1501-T1505 HydrophobicContact CD1-CG2 3.83Å; Y1501-T1505 HydrophobicContact CE1-CG2 3.39Å; Y1501-T1505 HydrophobicContact CE2-CG2 4.5Å; Y1501-T1505 WeakPolarHBondContact O-CB 3.26Å; Y1501-T1505 PolarHBondContact O-N 3.35Å; Y1501-T1505 PolarHBondContact O-OG1 2.98Å; Q1502-T1505 PolarHBondContact O-OG1 3.43Å; T1505-K1507 PolarHBondContact O-N 2.86Å; T1505-N1508 PolarHBondContact O-N 2.78Å; T1505-I1509 WeakPolarHBondContact O-CD1 3.48Å; T1505-I1509 WeakPolarHBondContact O-CG1 3.29Å
1506M53.9Low57.3Low157 Ų157100.5 Ų100.577%0.77351%0.51SS*.Hα-helixtrans-58.8-32.6174.5-84-170.7153.800113.5Q1502 N1508 I1509Q1502-M1506 WeakPolarHBondContact O-CB 3.32Å; Q1502-M1506 WeakPolarHBondContact O-CG 3.32Å; Q1502-M1506 PolarHBondContact O-N 3.29Å; M1506-N1508 PolarHBondContact O-N 3.07Å; M1506-I1509 PolarHBondContact O-N 2.68Å
1507K51.6Low54.6Low168 Ų168103.3 Ų103.373%0.7353%0.525SS*.THydrogen-bonded Turntrans-68.7-14.3176.7-73-176177.8-1750114K1504 T1505K1504-K1507 PolarHBondContact O-N 3.43Å; T1505-K1507 PolarHBondContact O-N 2.86Å
1508N45Very low51.8Low139 Ų139106.3 Ų106.374%0.74355%0.546SS*.THydrogen-bonded Turntrans-105.9-2.4-179.7-71.3-15.6000114.2T1505 M1506T1505-N1508 PolarHBondContact O-N 2.78Å; M1506-N1508 PolarHBondContact O-N 3.07Å
1509I44.2Very low49.4Very low85 Ų85112.6 Ų112.644%0.43658%0.579SS.*  trans-114.659-173.6-51.5163.3000110.3T1505 M1506T1505-I1509 WeakPolarHBondContact O-CD1 3.48Å; T1505-I1509 WeakPolarHBondContact O-CG1 3.29Å; M1506-I1509 PolarHBondContact O-N 2.68Å
1510T35.1Very low46.9Very low135 Ų135112.2 Ų112.283%0.82858%0.582SS**SBendtrans-95.3-6.2163.840.90000112.9
1511E29Very low44.6Very low158 Ų158116.8 Ų116.874%0.73860%0.601SS**SBendtrans-123.4152.7163-66.1-166.8135.800110.5
1512Y28.8Very low42.5Very low210 Ų210117 Ų11782%0.82460%0.604SS**SBendtrans70.8112.4-175.5-64.9-83.4000117.7
1513S29.3Very low41Very low119 Ų119117.6 Ų117.683%0.83261%0.606SS**  trans-64.4129176.7-48.30000112.8N1515S1513-N1515 PolarHBondContact O-N 3.26Å; S1513-N1515 VanDerWaalsContact O-N 3.09Å
1514V33Very low39.6Very low124 Ų124116.9 Ų116.975%0.75259%0.594SS**  trans-66.5107.6175.3179.50000110.5K1516V1514-K1516 PolarHBondContact O-N 2.93Å
1515N28.5Very low38.4Very low146 Ų146114.9 Ų114.978%0.78159%0.588SS**  trans-67.6123.3167.4-93.9-35.3000109.8S1513 L1517S1513-N1515 PolarHBondContact O-N 3.26Å; S1513-N1515 VanDerWaalsContact O-N 3.09Å; N1515-L1517 VanDerWaalsContact C-N 3.32Å; N1515-L1517 PolarHBondContact O-N 2.98Å
1516K29.1Very low38.2Very low206 Ų206114.4 Ų114.490%0.89658%0.584SS**  trans-74.579-176.6-170.4179.3-177.3178.60111.1V1514V1514-K1516 PolarHBondContact O-N 2.93Å
1517L29.6Very low38.8Very low117 Ų117107 Ų10761%0.61355%0.548SS*.  trans-59.3147.3174.6-134.974.9000110.8N1515 I1811N1515-L1517 VanDerWaalsContact C-N 3.32Å; N1515-L1517 PolarHBondContact O-N 2.98Å; L1517-I1811 HydrophobicContact CD2-CD1 4.15Å
1518S28Very low39.9Very low64 Ų6499 Ų9945%0.44851%0.513SS..  trans-68.7147.3-179.644.40000111.8D1520S1518-D1520 PolarHBondContact O-N 3.36Å
1519L34.7Very low41.2Very low138 Ų13894.6 Ų94.672%0.72349%0.487SS*.SBendtrans-77.1-10.9-175.3-165.162.2000112.5V1522L1519-V1522 WeakPolarHBondContact O-CG2 3.33Å
1520D32.1Very low42.7Very low94 Ų9490.7 Ų90.750%0.50347%0.468SS..SBendtrans-92.2-25.5-160-53.8-78.5000114.3S1518 V1522S1518-D1520 PolarHBondContact O-N 3.36Å; D1520-V1522 PolarHBondContact O-N 2.87Å
1521E34.8Very low44.9Very low125 Ų12584.3 Ų84.358%0.58443%0.429SS*.G310 helixtrans-68.6-14.3175.1-62.7-160.9126.500112.8K1523E1521-K1523 VanDerWaalsContact C-N 3.27Å; E1521-K1523 PolarHBondContact O-N 3.36Å
1522V36.9Very low47.5Very low25 Ų2578.9 Ų78.915%0.15240%0.402CS..G310 helixtrans-82.34.8-164.9-155.80000113.6L1519 D1520 K1524 I1811 L1815L1519-V1522 WeakPolarHBondContact O-CG2 3.33Å; D1520-V1522 PolarHBondContact O-N 2.87Å; V1522-K1524 PolarHBondContact O-N 2.94Å; V1522-I1811 HydrophobicContact CG1-CG2 4.15Å; V1522-I1811 HydrophobicContact CG2-CG2 4.48Å; V1522-L1815 HydrophobicContact CG1-CB 3.8Å; V1522-L1815 HydrophobicContact CG1-CD1 4.33Å; V1522-L1815 HydrophobicContact CG1-CG 4.42Å
1523K44.2Very low49.8Very low87 Ų8771 Ų7138%0.37837%0.374SS..G310 helixtrans-66.73.6174.7-70.2178.9178.6176.50114.5I1311 E1328 E1521I1311-K1523 HydrophobicContact CD1-CB 3.86Å; I1311-K1523 HydrophobicContact CG1-CB 4.4Å; I1311-K1523 HydrophobicContact CG2-CB 4.12Å; I1311-K1523 HydrophobicContact CG2-CD 3.68Å; I1311-K1523 HydrophobicContact CG2-CG 4.49Å; E1328-K1523 IonicContact OE1-NZ 3.68Å; E1328-K1523 IonicContact OE2-NZ 2.69Å; E1328-K1523 PolarHBondContact OE2-NZ 2.88Å; E1521-K1523 VanDerWaalsContact C-N 3.27Å; E1521-K1523 PolarHBondContact O-N 3.36Å
1524K44.1Very low52.5Low59 Ų5965.7 Ų65.726%0.25734%0.336SS..G310 helixtrans-106.1-11.4-170.8-69-170.4170.587.50117.7I1311 V1522 N1526 N1840 D1843I1311-K1524 HydrophobicContact CD1-CG 4.38Å; V1522-K1524 PolarHBondContact O-N 2.94Å; K1524-N1526 PolarHBondContact O-N 3.45Å; K1524-N1840 VanDerWaalsContact C-ND2 3.3Å; K1524-N1840 WeakPolarHBondContact CA-ND2 3.35Å; K1524-N1840 PolarHBondContact O-ND2 2.95Å; K1524-D1843 WeakPolarHBondContact CD-OD2 3.43Å; K1524-D1843 VanDerWaalsContact CE-CG 3.49Å; K1524-D1843 WeakPolarHBondContact CE-OD1 3.34Å; K1524-D1843 VanDerWaalsContact CE-OD2 3.31Å; K1524-D1843 WeakPolarHBondContact CE-OD2 3.5Å
1525S47.5Very low55Low20 Ų2059.9 Ų59.914%0.1430%0.301CS..  trans-85.7115-168.7161.80000114.6C1527 L1833S1525-C1527 PolarHBondContact O-N 3Å; S1525-L1833 VanDerWaalsContact O-CD2 3.27Å; S1525-L1833 WeakPolarHBondContact O-CD2 3.49Å
1526N62.3Low57.7Low26 Ų2654.5 Ų54.514%0.13927%0.272CS..  trans-48.396.9169.9-76.38.1000112.3K1524 C1528 K1529 A1530 L1834 L1835 L1838K1524-N1526 PolarHBondContact O-N 3.45Å; N1526-C1528 VanDerWaalsContact C-N 3.3Å; N1526-C1528 PolarHBondContact O-N 3.09Å; N1526-K1529 HydrophobicContact CB-CB 3.95Å; N1526-K1529 PolarHBondContact O-N 3.26Å; N1526-A1530 PolarHBondContact O-N 3.34Å; N1526-L1834 WeakPolarHBondContact CB-O 3.22Å; N1526-L1834 VanDerWaalsContact CG-O 3.25Å; N1526-L1835 PolarHBondContact ND2-O 3.47Å; N1526-L1838 PolarHBondContact ND2-O 3.39Å
1527C67.8Low60.4Low1 Ų147.2 Ų47.21%0.00724%0.239CC..Hα-helixtrans-51.7-46.1-173.7173.80000112.6L1482 S1525 K1529 A1530 V1531 L1833L1482-C1527 HydrophobicContact CD1-CB 4.28Å; S1525-C1527 PolarHBondContact O-N 3Å; C1527-K1529 VanDerWaalsContact C-N 3.33Å; C1527-K1529 PolarHBondContact O-N 3.25Å; C1527-A1530 PolarHBondContact O-N 3.46Å; C1527-A1530 VanDerWaalsContact O-N 3.14Å; C1527-V1531 WeakPolarHBondContact O-CG2 3.4Å; C1527-V1531 PolarHBondContact O-N 3.22Å; C1527-L1833 HydrophobicContact CB-CB 4.23Å; C1527-L1833 HydrophobicContact CB-CD1 3.48Å; C1527-L1833 VanDerWaalsContact CB-CD1 3.48Å; C1527-L1833 HydrophobicContact CB-CG 4.49Å
1528C73.3Confident63.1Low0 Ų042.3 Ų42.30%021%0.212CC..Hα-helixtrans-66-33.9-178-58.80000113L1485 N1526 Y1532 F1585 L1835L1485-C1528 HydrophobicContact CD1-CB 4.32Å; N1526-C1528 VanDerWaalsContact C-N 3.3Å; N1526-C1528 PolarHBondContact O-N 3.09Å; C1528-Y1532 VanDerWaalsContact O-CB 3.29Å; C1528-Y1532 WeakPolarHBondContact O-CB 3.45Å; C1528-Y1532 PolarHBondContact O-N 3.15Å; C1528-F1585 HydrophobicContact CB-CE1 4.05Å; C1528-L1835 HydrophobicContact CB-CD1 3.32Å; C1528-L1835 HydrophobicContact CB-CG 3.91Å; C1528-L1835 VanDerWaalsContact SG-CD1 3.59Å
1529K73.1Confident65.8Low48 Ų4840.9 Ų40.921%0.20920%0.199CC..Hα-helixtrans-70.5-41.1171.8178.155.3171.3152.80110.8N1526 C1527 V1531 Y1532 D1533 L1836N1526-K1529 HydrophobicContact CB-CB 3.95Å; N1526-K1529 PolarHBondContact O-N 3.26Å; C1527-K1529 VanDerWaalsContact C-N 3.33Å; C1527-K1529 PolarHBondContact O-N 3.25Å; K1529-V1531 PolarHBondContact O-N 3.27Å; K1529-Y1532 HydrophobicContact CD-CD1 4.29Å; K1529-Y1532 PolarHBondContact O-N 2.96Å; K1529-D1533 WeakPolarHBondContact CD-OD1 3.36Å; K1529-D1533 VanDerWaalsContact CE-OD1 3.25Å; K1529-D1533 WeakPolarHBondContact CE-OD1 3.26Å; K1529-D1533 IonicContact NZ-OD1 3.3Å; K1529-D1533 PolarHBondContact NZ-OD1 3.23Å; K1529-D1533 WeakPolarHBondContact O-CB 3.45Å; K1529-D1533 PolarHBondContact O-N 2.96Å; K1529-L1836 HydrophobicContact CD-CD2 3.96Å
1530A74.7Confident68Low3 Ų339 Ų393%0.02519%0.19CC..Hα-helixtrans-63.2-39.3175.100000113.1N1526 C1527 D1533 L1534 K1812 L1816N1526-A1530 PolarHBondContact O-N 3.34Å; C1527-A1530 PolarHBondContact O-N 3.46Å; C1527-A1530 VanDerWaalsContact O-N 3.14Å; A1530-D1533 PolarHBondContact O-N 3.16Å; A1530-L1534 WeakPolarHBondContact O-CB 3.38Å; A1530-L1534 PolarHBondContact O-N 3.49Å; A1530-K1812 HydrophobicContact CB-CB 4.08Å; A1530-K1812 HydrophobicContact CB-CD 4.29Å; A1530-K1812 HydrophobicContact CB-CG 4.34Å; A1530-L1816 HydrophobicContact CB-CD1 4.01Å; A1530-L1816 HydrophobicContact CB-CD2 4.05Å; A1530-L1816 HydrophobicContact CB-CG 4.08Å
1531V82.3Confident70.3Confident1 Ų137.6 Ų37.61%0.00618%0.181CC..Hα-helixtrans-66.6-43.6173.2171.10000111.2L1485 I1494 C1527 K1529 D1533 L1534 L1535 L1816 Y1820L1485-V1531 HydrophobicContact CD1-CB 4.23Å; L1485-V1531 HydrophobicContact CD1-CG1 4.32Å; L1485-V1531 HydrophobicContact CD1-CG2 4.13Å; L1485-V1531 HydrophobicContact CD2-CG1 3.91Å; I1494-V1531 HydrophobicContact CD1-CG1 3.69Å; I1494-V1531 HydrophobicContact CD1-CG2 4.03Å; I1494-V1531 HydrophobicContact CG1-CG1 4.28Å; C1527-V1531 WeakPolarHBondContact O-CG2 3.4Å; C1527-V1531 PolarHBondContact O-N 3.22Å; K1529-V1531 PolarHBondContact O-N 3.27Å; V1531-D1533 VanDerWaalsContact C-N 3.33Å; V1531-D1533 PolarHBondContact O-N 3.13Å; V1531-L1534 PolarHBondContact O-N 2.84Å; V1531-L1535 HydrophobicContact CG1-CD1 3.82Å; V1531-L1535 HydrophobicContact CG1-CG 4.31Å; V1531-L1535 WeakPolarHBondContact O-CB 3.47Å; V1531-L1535 VanDerWaalsContact O-CG 3.26Å; V1531-L1535 WeakPolarHBondContact O-CG 3.46Å; V1531-L1535 PolarHBondContact O-N 3.42Å; V1531-L1816 HydrophobicContact CG2-CD2 3.62Å; V1531-Y1820 HydrophobicContact CG2-CE2 4.09Å
1532Y83.3Confident72Confident44 Ų4435.5 Ų35.517%0.17317%0.168CC..Hα-helixtrans-60-41.2174.2176.6-93.5000112.3C1528 K1529 L1535 N1536 I1582 F1585 D1586 L1836C1528-Y1532 VanDerWaalsContact O-CB 3.29Å; C1528-Y1532 WeakPolarHBondContact O-CB 3.45Å; C1528-Y1532 PolarHBondContact O-N 3.15Å; K1529-Y1532 HydrophobicContact CD-CD1 4.29Å; K1529-Y1532 PolarHBondContact O-N 2.96Å; Y1532-L1535 PolarHBondContact O-N 2.97Å; Y1532-N1536 WeakPolarHBondContact CE1-ND2 3.3Å; Y1532-N1536 WeakPolarHBondContact O-CB 3.38Å; Y1532-N1536 PolarHBondContact O-N 3.01Å; Y1532-N1536 PolarHBondContact O-ND2 2.88Å; Y1532-N1536 PolarHBondContact OH-ND2 2.85Å; Y1532-I1582 HydrophobicContact CE2-CG2 4.12Å; Y1532-F1585 HydrophobicContact CD2-CB 3.62Å; Y1532-F1585 HydrophobicContact CD2-CD2 4.26Å; Y1532-F1585 AromaticContact CD2-CG 3.96Å; Y1532-F1585 HydrophobicContact CD2-CG 3.96Å; Y1532-F1585 HydrophobicContact CE2-CB 4.01Å; Y1532-D1586 PolarHBondContact OH-OD1 2.76Å; Y1532-L1836 HydrophobicContact CD1-CD2 3.93Å; Y1532-L1836 HydrophobicContact CD2-CD2 4.29Å; Y1532-L1836 HydrophobicContact CE1-CD2 4.41Å; Y1532-L1836 HydrophobicContact CG-CD2 3.86Å
1533D78Confident73.3Confident43 Ų4337.1 Ų37.123%0.2318%0.181CC..Hα-helixtrans-65.1-40.6175.7-62.7-22.9000111.5K1529 A1530 V1531 N1536 W1537 K1812K1529-D1533 WeakPolarHBondContact CD-OD1 3.36Å; K1529-D1533 VanDerWaalsContact CE-OD1 3.25Å; K1529-D1533 WeakPolarHBondContact CE-OD1 3.26Å; K1529-D1533 IonicContact NZ-OD1 3.3Å; K1529-D1533 PolarHBondContact NZ-OD1 3.23Å; K1529-D1533 WeakPolarHBondContact O-CB 3.45Å; K1529-D1533 PolarHBondContact O-N 2.96Å; A1530-D1533 PolarHBondContact O-N 3.16Å; V1531-D1533 VanDerWaalsContact C-N 3.33Å; V1531-D1533 PolarHBondContact O-N 3.13Å; D1533-N1536 PolarHBondContact O-N 3.36Å; D1533-W1537 WeakPolarHBondContact O-CB 3.32Å; D1533-W1537 PolarHBondContact O-N 3.01Å; D1533-K1812 IonicContact OD2-NZ 3.74Å; D1533-K1812 PolarHBondContact OD2-NZ 2.93Å
1534L84.2Confident74Confident8 Ų836.9 Ų36.94%0.04219%0.186CC..Hα-helixtrans-65-42.2174.5175.865.1000112.7I1494 L1497 L1498 Y1501 A1530 V1531 W1537 Y1538 L1813 L1816I1494-L1534 HydrophobicContact CG2-CD2 4.41Å; L1497-L1534 HydrophobicContact CB-CD2 4.15Å; L1497-L1534 HydrophobicContact CB-CG 4.39Å; L1498-L1534 HydrophobicContact CD2-CD2 3.73Å; L1498-L1534 HydrophobicContact CG-CD2 3.91Å; Y1501-L1534 HydrophobicContact CD2-CD1 4.17Å; A1530-L1534 WeakPolarHBondContact O-CB 3.38Å; A1530-L1534 PolarHBondContact O-N 3.49Å; V1531-L1534 PolarHBondContact O-N 2.84Å; L1534-W1537 HydrophobicContact CD1-CE3 3.97Å; L1534-W1537 HydrophobicContact CD1-CZ3 4.43Å; L1534-W1537 PolarHBondContact O-N 3.36Å; L1534-Y1538 PolarHBondContact O-N 3.34Å; L1534-Y1538 VanDerWaalsContact O-N 3.09Å; L1534-L1813 HydrophobicContact CD1-CD1 3.99Å; L1534-L1816 HydrophobicContact CB-CD1 4.28Å; L1534-L1816 HydrophobicContact CD2-CD1 4.09Å
1535L87Confident74.6Confident2 Ų238 Ų381%0.0120%0.195CC..Hα-helixtrans-63.6-42.7177.3-71.8164.2000111.1L1497 V1531 Y1532 Y1538 L1539 V1578 I1581 I1582 F1585L1497-L1535 HydrophobicContact CD1-CD2 3.61Å; V1531-L1535 HydrophobicContact CG1-CD1 3.82Å; V1531-L1535 HydrophobicContact CG1-CG 4.31Å; V1531-L1535 WeakPolarHBondContact O-CB 3.47Å; V1531-L1535 VanDerWaalsContact O-CG 3.26Å; V1531-L1535 WeakPolarHBondContact O-CG 3.46Å; V1531-L1535 PolarHBondContact O-N 3.42Å; Y1532-L1535 PolarHBondContact O-N 2.97Å; L1535-Y1538 PolarHBondContact O-N 2.94Å; L1535-L1539 WeakPolarHBondContact O-CB 3.21Å; L1535-L1539 PolarHBondContact O-N 3.05Å; L1535-V1578 HydrophobicContact CB-CG1 4.27Å; L1535-V1578 HydrophobicContact CD2-CB 4.41Å; L1535-V1578 HydrophobicContact CD2-CG1 3.9Å; L1535-V1578 HydrophobicContact CD2-CG2 4.24Å; L1535-I1581 HydrophobicContact CD1-CG2 3.64Å; L1535-I1582 HydrophobicContact CB-CD1 4.02Å; L1535-I1582 HydrophobicContact CB-CG1 3.84Å; L1535-I1582 HydrophobicContact CD1-CG1 4.44Å; L1535-F1585 HydrophobicContact CD1-CD2 4.42Å; L1535-F1585 HydrophobicContact CD1-CE2 4.14Å
1536N83.9Confident74.9Confident33 Ų3343.5 Ų43.518%0.17622%0.216CC..Hα-helixtrans-70.9-35.1176.2-80.6-37.9000113.3Y1532 D1533 Y1538 L1539 N1540Y1532-N1536 WeakPolarHBondContact CE1-ND2 3.3Å; Y1532-N1536 WeakPolarHBondContact O-CB 3.38Å; Y1532-N1536 PolarHBondContact O-N 3.01Å; Y1532-N1536 PolarHBondContact O-ND2 2.88Å; Y1532-N1536 PolarHBondContact OH-ND2 2.85Å; D1533-N1536 PolarHBondContact O-N 3.36Å; N1536-Y1538 VanDerWaalsContact C-N 3.34Å; N1536-L1539 WeakPolarHBondContact O-CB 3.45Å; N1536-L1539 PolarHBondContact O-N 3.37Å; N1536-N1540 WeakPolarHBondContact O-CB 3.32Å; N1536-N1540 PolarHBondContact O-N 2.86Å; N1536-N1540 PolarHBondContact O-ND2 3.5Å
1537W87.1Confident74Confident53 Ų5347.8 Ų47.820%0.20124%0.239CC..Hα-helixtrans-56.6-50.4170166.678.2000110.7V1500 Y1501 K1504 D1533 L1534 L1539 N1540 E1541V1500-W1537 HydrophobicContact CG1-CH2 4.35Å; Y1501-W1537 VanDerWaalsContact CA-CH2 3.42Å; Y1501-W1537 AromaticContact CD2-CD2 3.6Å; Y1501-W1537 HydrophobicContact CD2-CD2 3.6Å; Y1501-W1537 AromaticContact CD2-CE2 3.64Å; Y1501-W1537 AromaticContact CD2-CE3 3.72Å; Y1501-W1537 HydrophobicContact CD2-CE3 3.72Å; Y1501-W1537 HydrophobicContact CD2-CG 4.26Å; Y1501-W1537 AromaticContact CD2-CH2 3.96Å; Y1501-W1537 HydrophobicContact CD2-CH2 3.96Å; Y1501-W1537 AromaticContact CD2-CZ2 3.83Å; Y1501-W1537 HydrophobicContact CD2-CZ2 3.83Å; Y1501-W1537 AromaticContact CD2-CZ3 3.9Å; Y1501-W1537 HydrophobicContact CD2-CZ3 3.9Å; Y1501-W1537 HydrophobicContact CE2-CD2 4.1Å; Y1501-W1537 HydrophobicContact CE2-CG 4.33Å; Y1501-W1537 HydrophobicContact CG-CH2 4.25Å; Y1501-W1537 HydrophobicContact CG-CZ2 4.38Å; Y1501-W1537 HydrophobicContact CG-CZ3 4.31Å; K1504-W1537 HydrophobicContact CB-CZ2 4.28Å; K1504-W1537 HydrophobicContact CD-CH2 4.33Å; K1504-W1537 HydrophobicContact CD-CZ2 4.11Å; D1533-W1537 WeakPolarHBondContact O-CB 3.32Å; D1533-W1537 PolarHBondContact O-N 3.01Å; L1534-W1537 HydrophobicContact CD1-CE3 3.97Å; L1534-W1537 HydrophobicContact CD1-CZ3 4.43Å; L1534-W1537 PolarHBondContact O-N 3.36Å; W1537-L1539 VanDerWaalsContact C-N 3.34Å; W1537-L1539 PolarHBondContact O-N 3.08Å; W1537-N1540 PolarHBondContact O-N 2.98Å; W1537-E1541 HydrophobicContact CD2-CG 4.06Å; W1537-E1541 VanDerWaalsContact CE2-CG 3.44Å; W1537-E1541 HydrophobicContact CG-CG 4.36Å; W1537-E1541 HydrophobicContact CH2-CG 4.45Å; W1537-E1541 HydrophobicContact CZ2-CG 3.69Å; W1537-E1541 VanDerWaalsContact NE1-CG 3.33Å; W1537-E1541 PolarHBondContact NE1-OE1 2.73Å; W1537-E1541 VanDerWaalsContact NE1-OE1 3.11Å; W1537-E1541 VanDerWaalsContact O-CG 3.32Å; W1537-E1541 WeakPolarHBondContact O-CG 3.46Å; W1537-E1541 PolarHBondContact O-N 3.21Å
1538Y85.2Confident72.9Confident14 Ų1451.8 Ų51.86%0.05526%0.261CS..Hα-helixtrans-61.4-42179.5-174.7-99.6000112.3L1497 V1500 L1534 L1535 N1536 N1540 Y1542 I1573 L1575 V1578L1497-Y1538 HydrophobicContact CD2-CD1 3.77Å; L1497-Y1538 HydrophobicContact CD2-CD2 3.63Å; L1497-Y1538 HydrophobicContact CD2-CE1 4.2Å; L1497-Y1538 HydrophobicContact CD2-CE2 4.07Å; L1497-Y1538 HydrophobicContact CD2-CG 3.47Å; L1497-Y1538 VanDerWaalsContact CD2-CG 3.47Å; V1500-Y1538 HydrophobicContact CG1-CD2 4.46Å; V1500-Y1538 HydrophobicContact CG1-CE2 4.15Å; L1534-Y1538 PolarHBondContact O-N 3.34Å; L1534-Y1538 VanDerWaalsContact O-N 3.09Å; L1535-Y1538 PolarHBondContact O-N 2.94Å; N1536-Y1538 VanDerWaalsContact C-N 3.34Å; Y1538-N1540 VanDerWaalsContact C-N 3.33Å; Y1538-N1540 PolarHBondContact O-N 2.92Å; Y1538-Y1542 HydrophobicContact CE1-CD2 4.11Å; Y1538-Y1542 HydrophobicContact CE2-CD2 4.24Å; Y1538-Y1542 AromaticContact CZ-CD2 3.68Å; Y1538-Y1542 WeakPolarHBondContact O-CB 3.4Å; Y1538-Y1542 PolarHBondContact O-N 3.39Å; Y1538-Y1542 VanDerWaalsContact O-N 3.12Å; Y1538-Y1542 WeakPolarHBondContact OH-CD2 3.19Å; Y1538-Y1542 VanDerWaalsContact OH-CE2 3.28Å; Y1538-Y1542 WeakPolarHBondContact OH-CE2 3.43Å; Y1538-I1573 HydrophobicContact CE1-CB 4.39Å; Y1538-I1573 HydrophobicContact CE1-CG2 4.48Å; Y1538-I1573 PolarHBondContact OH-O 3.3Å; Y1538-L1575 HydrophobicContact CD1-CD1 4.39Å; Y1538-L1575 HydrophobicContact CE1-CD1 4.23Å; Y1538-V1578 HydrophobicContact CD1-CG1 4.34Å; Y1538-V1578 HydrophobicContact CD1-CG2 4.02Å; Y1538-V1578 HydrophobicContact CE1-CG2 4.3Å
1539L85Confident71.6Confident34 Ų3455.6 Ų55.618%0.17829%0.287CS..Hα-helixtrans-57.9-42.9175.5-168.985.2000112.6L1535 N1536 W1537 S1543 L1575 K1579 I1582L1535-L1539 WeakPolarHBondContact O-CB 3.21Å; L1535-L1539 PolarHBondContact O-N 3.05Å; N1536-L1539 WeakPolarHBondContact O-CB 3.45Å; N1536-L1539 PolarHBondContact O-N 3.37Å; W1537-L1539 VanDerWaalsContact C-N 3.34Å; W1537-L1539 PolarHBondContact O-N 3.08Å; L1539-S1543 PolarHBondContact O-N 3.18Å; L1539-S1543 PolarHBondContact O-OG 3.45Å; L1539-L1575 HydrophobicContact CD1-CD1 4.05Å; L1539-K1579 HydrophobicContact CD1-CD 4.14Å; L1539-K1579 HydrophobicContact CD1-CG 3.45Å; L1539-K1579 VanDerWaalsContact CD1-CG 3.45Å; L1539-I1582 HydrophobicContact CB-CD1 4.43Å; L1539-I1582 HydrophobicContact CD1-CD1 4.33Å; L1539-I1582 HydrophobicContact CD2-CD1 4.28Å
1540N82.1Confident70Confident99 Ų9960.7 Ų60.753%0.52931%0.312SS..Hα-helixtrans-73.8-46-177.7-69.6-19000111.6N1536 W1537 Y1538 Y1542 S1543 V1544N1536-N1540 WeakPolarHBondContact O-CB 3.32Å; N1536-N1540 PolarHBondContact O-N 2.86Å; N1536-N1540 PolarHBondContact O-ND2 3.5Å; W1537-N1540 PolarHBondContact O-N 2.98Å; Y1538-N1540 VanDerWaalsContact C-N 3.33Å; Y1538-N1540 PolarHBondContact O-N 2.92Å; N1540-Y1542 VanDerWaalsContact C-N 3.34Å; N1540-Y1542 PolarHBondContact O-N 2.97Å; N1540-S1543 WeakPolarHBondContact O-CB 3.49Å; N1540-S1543 PolarHBondContact O-N 2.61Å; N1540-V1544 PolarHBondContact O-N 3.46Å; N1540-V1544 VanDerWaalsContact O-N 3.1Å
1541E78.5Confident68Low65 Ų6566.8 Ų66.830%0.30434%0.344SS..Hα-helixtrans-53.8-49.7174.9-72.8-79.915100111.8K1504 W1537 S1543 V1544 D1545K1504-E1541 WeakPolarHBondContact CD-OE2 3.47Å; K1504-E1541 IonicContact NZ-OE2 3.19Å; K1504-E1541 PolarHBondContact NZ-OE2 3.22Å; W1537-E1541 HydrophobicContact CD2-CG 4.06Å; W1537-E1541 VanDerWaalsContact CE2-CG 3.44Å; W1537-E1541 HydrophobicContact CG-CG 4.36Å; W1537-E1541 HydrophobicContact CH2-CG 4.45Å; W1537-E1541 HydrophobicContact CZ2-CG 3.69Å; W1537-E1541 VanDerWaalsContact NE1-CG 3.33Å; W1537-E1541 PolarHBondContact NE1-OE1 2.73Å; W1537-E1541 VanDerWaalsContact NE1-OE1 3.11Å; W1537-E1541 VanDerWaalsContact O-CG 3.32Å; W1537-E1541 WeakPolarHBondContact O-CG 3.46Å; W1537-E1541 PolarHBondContact O-N 3.21Å; E1541-S1543 PolarHBondContact O-N 2.86Å; E1541-S1543 VanDerWaalsContact O-N 3.16Å; E1541-V1544 PolarHBondContact O-N 3.05Å; E1541-V1544 VanDerWaalsContact O-N 3.1Å; E1541-D1545 PolarHBondContact O-N 3.48Å
1542Y70.9Confident65.6Low80 Ų8072.5 Ų72.531%0.31437%0.374SS..Hα-helixtrans-66.3-17.7-179.4-136.4-77.1000113.3Y1538 N1540 L1575Y1538-Y1542 HydrophobicContact CE1-CD2 4.11Å; Y1538-Y1542 HydrophobicContact CE2-CD2 4.24Å; Y1538-Y1542 AromaticContact CZ-CD2 3.68Å; Y1538-Y1542 WeakPolarHBondContact O-CB 3.4Å; Y1538-Y1542 PolarHBondContact O-N 3.39Å; Y1538-Y1542 VanDerWaalsContact O-N 3.12Å; Y1538-Y1542 WeakPolarHBondContact OH-CD2 3.19Å; Y1538-Y1542 VanDerWaalsContact OH-CE2 3.28Å; Y1538-Y1542 WeakPolarHBondContact OH-CE2 3.43Å; N1540-Y1542 VanDerWaalsContact C-N 3.34Å; N1540-Y1542 PolarHBondContact O-N 2.97Å; Y1542-L1575 HydrophobicContact CD1-CD2 4.21Å
1543S65.5Low63Low60 Ų6078 Ų7842%0.4241%0.407SS..Hα-helixtrans-81.2-42.2173-55.30000111L1539 N1540 E1541 K1546 D1547L1539-S1543 PolarHBondContact O-N 3.18Å; L1539-S1543 PolarHBondContact O-OG 3.45Å; N1540-S1543 WeakPolarHBondContact O-CB 3.49Å; N1540-S1543 PolarHBondContact O-N 2.61Å; E1541-S1543 PolarHBondContact O-N 2.86Å; E1541-S1543 VanDerWaalsContact O-N 3.16Å; S1543-K1546 PolarHBondContact O-N 3.03Å; S1543-D1547 PolarHBondContact O-N 3.24Å
1544V59.2Low60.7Low82 Ų8284.2 Ų84.250%0.49743%0.434SS..Hα-helixtrans-67.1-41.3177.9174.90000112.2N1540 E1541 K1546 D1547 N1548N1540-V1544 PolarHBondContact O-N 3.46Å; N1540-V1544 VanDerWaalsContact O-N 3.1Å; E1541-V1544 PolarHBondContact O-N 3.05Å; E1541-V1544 VanDerWaalsContact O-N 3.1Å; V1544-K1546 PolarHBondContact O-N 3.5Å; V1544-D1547 PolarHBondContact O-N 3.37Å; V1544-N1548 PolarHBondContact O-N 2.99Å; V1544-N1548 PolarHBondContact O-ND2 2.69Å
1545D56.1Low57.9Low82 Ų8292 Ų9244%0.43947%0.471SS..Hα-helixtrans-61.1-30.6176.6-72.7-31.8000111.4K1504 E1541 S1549K1504-D1545 IonicContact NZ-OD1 2.64Å; K1504-D1545 IonicContact NZ-OD2 2.93Å; K1504-D1545 PolarHBondContact NZ-OD2 2.92Å; E1541-D1545 PolarHBondContact O-N 3.48Å; D1545-S1549 PolarHBondContact O-N 2.95Å
1546K53.2Low55.3Low135 Ų13599 Ų9959%0.58751%0.506SS*.Hα-helixtrans-74.6-46.9179.3-164.2163.9-171.3163.90113.1S1543 V1544 N1548 S1549S1543-K1546 PolarHBondContact O-N 3.03Å; V1544-K1546 PolarHBondContact O-N 3.5Å; K1546-N1548 PolarHBondContact O-N 2.89Å; K1546-S1549 WeakPolarHBondContact O-CB 3.49Å; K1546-S1549 PolarHBondContact O-N 2.94Å; K1546-S1549 PolarHBondContact O-OG 3.42Å
1547D42.7Very low52.7Low117 Ų117103.4 Ų103.463%0.62653%0.528SS*.Hα-helixtrans-63.2-30.2178.9-70.7-13.1000112.3S1543 V1544 N1551S1543-D1547 PolarHBondContact O-N 3.24Å; V1544-D1547 PolarHBondContact O-N 3.37Å; D1547-N1551 PolarHBondContact O-ND2 2.76Å
1548N46.4Very low50.2Low85 Ų85107.9 Ų107.946%0.45556%0.555SS.*Hα-helixtrans-73.3-31.4173-74.6-48.3000113.2V1544 K1546 E1550 N1551V1544-N1548 PolarHBondContact O-N 2.99Å; V1544-N1548 PolarHBondContact O-ND2 2.69Å; K1546-N1548 PolarHBondContact O-N 2.89Å; N1548-E1550 VanDerWaalsContact C-N 3.35Å; N1548-E1550 PolarHBondContact O-N 3.11Å; N1548-N1551 PolarHBondContact O-N 2.93Å
1549S44.7Very low47.4Very low80 Ų80114.1 Ų114.156%0.55959%0.589SS**Hα-helixtrans-66.1-31.3-178.6760000113.8D1545 K1546 N1551D1545-S1549 PolarHBondContact O-N 2.95Å; K1546-S1549 WeakPolarHBondContact O-CB 3.49Å; K1546-S1549 PolarHBondContact O-N 2.94Å; K1546-S1549 PolarHBondContact O-OG 3.42Å; S1549-N1551 VanDerWaalsContact C-N 3.33Å; S1549-N1551 PolarHBondContact O-N 3.46Å
1550E39.3Very low44.6Very low155 Ų155115.5 Ų115.572%0.72461%0.611SS**THydrogen-bonded Turntrans-81.6-9.8-179.2-64.7-168.2172.400113.6N1548N1548-E1550 VanDerWaalsContact C-N 3.35Å; N1548-E1550 PolarHBondContact O-N 3.11Å
1551N34.5Very low42.1Very low131 Ų131118.5 Ų118.570%0.70163%0.628SS**THydrogen-bonded Turntrans-112.2-11.4-173-75-74.4000115.4D1547 N1548 S1549D1547-N1551 PolarHBondContact O-ND2 2.76Å; N1548-N1551 PolarHBondContact O-N 2.93Å; S1549-N1551 VanDerWaalsContact C-N 3.33Å; S1549-N1551 PolarHBondContact O-N 3.46Å
1552N30.8Very low39.7Very low120 Ų120125.4 Ų125.464%0.64266%0.657SS**  trans-115.661-176-76.6-53.4000113.9H1554N1552-H1554 PolarHBondContact O-N 2.92Å
1553N28Very low37.8Very low161 Ų161130.3 Ų130.386%0.86168%0.682SS**  trans-75.268.1160.6-82.6-40.2000110.7
1554H30Very low35.9Very low172 Ų172134.8 Ų134.880%0.79670%0.701SS**  trans-138.8121.6165.7-112.9-42000110.7N1552 I1556N1552-H1554 PolarHBondContact O-N 2.92Å; H1554-I1556 PolarHBondContact O-N 2.94Å
1555E26.9Very low34.5Very low173 Ų173136.5 Ų136.581%0.80871%0.712SS**  trans-60.2120.7173.8-63.4165102.300110.6
1556I31.9Very low33.3Very low147 Ų147139.4 Ų139.475%0.75473%0.728SS**  trans-102.996.8159.8-65.2-178000107H1554 I1558H1554-I1556 PolarHBondContact O-N 2.94Å; I1556-I1558 HydrophobicContact CG2-CD1 4.17Å; I1556-I1558 HydrophobicContact CG2-CG1 4.1Å; I1556-I1558 PolarHBondContact O-N 3.5Å
1557I29Very low32.2Very low126 Ų126141 Ų14165%0.64674%0.738SS**  trans-70.4110.8173.3-60.8171.4000108.1
1558I33.7Very low31.7Very low148 Ų148142.7 Ų142.776%0.75975%0.746SS**  trans-121.5112.2160.5-65.3175.2000106.9I1556I1556-I1558 HydrophobicContact CG2-CD1 4.17Å; I1556-I1558 HydrophobicContact CG2-CG1 4.1Å; I1556-I1558 PolarHBondContact O-N 3.5Å
1559N27.1Very low31.1Very low144 Ų144145.2 Ų145.277%0.7776%0.76SS**  trans-87.3150.8174.6-70-30.5000110.2
1560G25.7Very low30.9Very low63 Ų63146.3 Ų146.365%0.64976%0.759SS**  trans76.884.9165.700000114.4
1561D29.1Very low31.4Very low163 Ų163145.9 Ų145.987%0.87276%0.762SS**  -168.3137.286.3-81.7-21.5000110
1562K28.7Very low32.5Very low210 Ų210146.8 Ų146.891%0.91376%0.762SS**  trans-137.686.7176.7-84.3-165.1173.7-171.80110.3
1563E30.8Very low34Very low183 Ų183141.9 Ų141.986%0.85574%0.735SS**  trans-123.2102.6164-70.2-166.4167.500110.5T1565E1563-T1565 PolarHBondContact O-N 3.05Å
1564N26.9Very low36.1Very low153 Ų153137.1 Ų137.182%0.81871%0.71SS**  trans43.672.7143.1-60.3-13000118.6
1565T28.6Very low38.7Very low118 Ų118130.5 Ų130.572%0.72468%0.68SS**  trans-129.1146.4144.151.90000110.6E1563 E1567E1563-T1565 PolarHBondContact O-N 3.05Å; T1565-E1567 VanDerWaalsContact C-N 3.34Å; T1565-E1567 PolarHBondContact O-N 3.28Å
1566N30.4Very low41.5Very low144 Ų144127.6 Ų127.677%0.7767%0.667SS**  trans-7877.7-175.6-69.4-6.6000111.3N1568N1566-N1568 PolarHBondContact O-N 3.02Å
1567E31.5Very low44.2Very low169 Ų169122 Ų12279%0.7964%0.639SS**THydrogen-bonded Turntrans-77.815.7-174-141.3176-167.500114.8T1565T1565-E1567 VanDerWaalsContact C-N 3.34Å; T1565-E1567 PolarHBondContact O-N 3.28Å
1568N30.8Very low47Very low151 Ų151116 Ų11681%0.80761%0.608SS**THydrogen-bonded Turntrans-106-8.3-177.7-73.7-24.5000115N1566 L1570N1566-N1568 PolarHBondContact O-N 3.02Å; N1568-L1570 PolarHBondContact O-N 3.3Å; N1568-L1570 VanDerWaalsContact O-N 3.15Å
1569D34.1Very low49.7Very low139 Ų139113.2 Ų113.274%0.74359%0.59SS**  trans-84.625.4-175.9-74.2-15.2000114.2
1570L41.8Very low52.8Low102 Ų102107 Ų10753%0.53456%0.56SS.*SBendtrans-109.478.3164.2-76176.2000108.8N1568 E1572N1568-L1570 PolarHBondContact O-N 3.3Å; N1568-L1570 VanDerWaalsContact O-N 3.15Å; L1570-E1572 PolarHBondContact O-N 3.01Å
1571D50.1Low55.9Low147 Ų147104 Ų10479%0.78653%0.529SS*.  trans-40.1128.4166.2-78.9-43.1000109.9I1573D1571-I1573 PolarHBondContact O-N 2.91Å
1572E55.9Low58.8Low149 Ų14996.8 Ų96.870%0.69649%0.49SS*.  trans-51.9107.5-178.9-172-176.6155.400108.9L1570 D1574L1570-E1572 PolarHBondContact O-N 3.01Å; E1572-D1574 VanDerWaalsContact C-N 3.33Å; E1572-D1574 PolarHBondContact O-N 2.83Å
1573I62.9Low61.7Low18 Ų1889.5 Ų89.59%0.09247%0.465CS..  trans-66.596.8-169.9-58.5178.5000108.1L1493 N1496 L1497 V1500 Y1538 D1571 L1575L1493-I1573 HydrophobicContact CD1-CG2 3.39Å; N1496-I1573 HydrophobicContact CB-CD1 3.94Å; L1497-I1573 HydrophobicContact CD2-CD1 4.23Å; L1497-I1573 HydrophobicContact CD2-CG2 3.98Å; L1497-I1573 HydrophobicContact CG-CG2 4.42Å; V1500-I1573 HydrophobicContact CG2-CD1 3.76Å; Y1538-I1573 HydrophobicContact CE1-CB 4.39Å; Y1538-I1573 HydrophobicContact CE1-CG2 4.48Å; Y1538-I1573 PolarHBondContact OH-O 3.3Å; D1571-I1573 PolarHBondContact O-N 2.91Å; I1573-L1575 PolarHBondContact O-N 3.09Å
1574D72.3Confident64.6Low60 Ų6080.9 Ų80.932%0.32143%0.425SS..  trans-48.9108.6-164.1170.910.4000111.6E1572 Q1576 N1577 V1578E1572-D1574 VanDerWaalsContact C-N 3.33Å; E1572-D1574 PolarHBondContact O-N 2.83Å; D1574-Q1576 PolarHBondContact O-N 2.91Å; D1574-Q1576 VanDerWaalsContact O-N 3.09Å; D1574-Q1576 WeakPolarHBondContact OD1-CA 3.45Å; D1574-Q1576 VanDerWaalsContact OD1-CB 3.25Å; D1574-Q1576 WeakPolarHBondContact OD1-CB 3.24Å; D1574-Q1576 WeakPolarHBondContact OD1-CG 3.48Å; D1574-Q1576 PolarHBondContact OD1-N 2.95Å; D1574-N1577 HydrophobicContact CB-CB 4.41Å; D1574-N1577 WeakPolarHBondContact CB-ND2 3.19Å; D1574-N1577 WeakPolarHBondContact O-CB 3.38Å; D1574-N1577 PolarHBondContact O-N 2.69Å; D1574-N1577 PolarHBondContact OD2-ND2 3.07Å; D1574-V1578 PolarHBondContact O-N 3.13Å
1575L84.5Confident67.6Low34 Ų3473.6 Ų73.618%0.17839%0.386CS..Hα-helixtrans-60.1-23.2-175.8-172.863.9000111.8Y1538 L1539 Y1542 I1573 K1579Y1538-L1575 HydrophobicContact CD1-CD1 4.39Å; Y1538-L1575 HydrophobicContact CE1-CD1 4.23Å; L1539-L1575 HydrophobicContact CD1-CD1 4.05Å; Y1542-L1575 HydrophobicContact CD1-CD2 4.21Å; I1573-L1575 PolarHBondContact O-N 3.09Å; L1575-K1579 HydrophobicContact CG-CD 4.37Å; L1575-K1579 WeakPolarHBondContact O-CB 3.27Å; L1575-K1579 WeakPolarHBondContact O-CD 3.44Å; L1575-K1579 VanDerWaalsContact O-CG 3.23Å; L1575-K1579 WeakPolarHBondContact O-CG 3.37Å; L1575-K1579 PolarHBondContact O-N 3Å
1576Q85.2Confident70.3Confident111 Ų11170.6 Ų70.652%0.51937%0.366SS..Hα-helixtrans-76.1-33.1175.5-50.8-67.49.400111.8D1574 K1579 G1580 L1626D1574-Q1576 PolarHBondContact O-N 2.91Å; D1574-Q1576 VanDerWaalsContact O-N 3.09Å; D1574-Q1576 WeakPolarHBondContact OD1-CA 3.45Å; D1574-Q1576 VanDerWaalsContact OD1-CB 3.25Å; D1574-Q1576 WeakPolarHBondContact OD1-CB 3.24Å; D1574-Q1576 WeakPolarHBondContact OD1-CG 3.48Å; D1574-Q1576 PolarHBondContact OD1-N 2.95Å; Q1576-K1579 PolarHBondContact O-N 2.84Å; Q1576-G1580 PolarHBondContact O-N 2.8Å; Q1576-L1626 VanDerWaalsContact C-CD1 3.44Å; Q1576-L1626 HydrophobicContact CB-CD1 3.41Å; Q1576-L1626 VanDerWaalsContact CB-CD1 3.41Å
1577N88.6Confident73.1Confident31 Ų3164.6 Ų64.617%0.16633%0.334CS..Hα-helixtrans-64.5-43.3171.6-71.1-38.2000111D1574 G1580 I1581 L1626 I1628D1574-N1577 HydrophobicContact CB-CB 4.41Å; D1574-N1577 WeakPolarHBondContact CB-ND2 3.19Å; D1574-N1577 WeakPolarHBondContact O-CB 3.38Å; D1574-N1577 PolarHBondContact O-N 2.69Å; D1574-N1577 PolarHBondContact OD2-ND2 3.07Å; N1577-G1580 PolarHBondContact O-N 3.23Å; N1577-I1581 WeakPolarHBondContact O-CG1 3.34Å; N1577-I1581 PolarHBondContact O-N 3.29Å; N1577-L1626 WeakPolarHBondContact OD1-CB 3.41Å; N1577-L1626 VanDerWaalsContact OD1-CD1 3.23Å; N1577-L1626 WeakPolarHBondContact OD1-CD1 3.23Å; N1577-I1628 HydrophobicContact CB-CG2 3.77Å; N1577-I1628 WeakPolarHBondContact OD1-CG2 3.5Å
1578V89.5Confident75.8Confident0 Ų056.5 Ų56.50%030%0.297CS..Hα-helixtrans-60.2-50.2174.8172.20000110.8L1497 L1535 Y1538 D1574 G1580 I1581 I1582L1497-V1578 HydrophobicContact CD2-CG2 4.45Å; L1535-V1578 HydrophobicContact CB-CG1 4.27Å; L1535-V1578 HydrophobicContact CD2-CB 4.41Å; L1535-V1578 HydrophobicContact CD2-CG1 3.9Å; L1535-V1578 HydrophobicContact CD2-CG2 4.24Å; Y1538-V1578 HydrophobicContact CD1-CG1 4.34Å; Y1538-V1578 HydrophobicContact CD1-CG2 4.02Å; Y1538-V1578 HydrophobicContact CE1-CG2 4.3Å; D1574-V1578 PolarHBondContact O-N 3.13Å; V1578-G1580 PolarHBondContact O-N 3.4Å; V1578-I1581 PolarHBondContact O-N 3.17Å; V1578-I1582 HydrophobicContact CG1-CD1 3.81Å; V1578-I1582 VanDerWaalsContact O-CG1 3.31Å; V1578-I1582 WeakPolarHBondContact O-CG1 3.46Å; V1578-I1582 PolarHBondContact O-N 3.29Å
1579K90Very high78.3Confident88 Ų8850.1 Ų50.138%0.38327%0.267SS..Hα-helixtrans-58.8-42.6176-75.6166.5180169.70112.9L1539 L1575 Q1576 I1582 S1583L1539-K1579 HydrophobicContact CD1-CD 4.14Å; L1539-K1579 HydrophobicContact CD1-CG 3.45Å; L1539-K1579 VanDerWaalsContact CD1-CG 3.45Å; L1575-K1579 HydrophobicContact CG-CD 4.37Å; L1575-K1579 WeakPolarHBondContact O-CB 3.27Å; L1575-K1579 WeakPolarHBondContact O-CD 3.44Å; L1575-K1579 VanDerWaalsContact O-CG 3.23Å; L1575-K1579 WeakPolarHBondContact O-CG 3.37Å; L1575-K1579 PolarHBondContact O-N 3Å; Q1576-K1579 PolarHBondContact O-N 2.84Å; K1579-I1582 PolarHBondContact O-N 2.81Å; K1579-S1583 PolarHBondContact O-N 3.16Å
1580G90.8Very high80.6Confident13 Ų1346.4 Ų46.413%0.13425%0.245CC..Hα-helixtrans-61.6-45.7177.700000112.4Q1576 N1577 V1578 S1583 V1584Q1576-G1580 PolarHBondContact O-N 2.8Å; N1577-G1580 PolarHBondContact O-N 3.23Å; V1578-G1580 PolarHBondContact O-N 3.4Å; G1580-S1583 PolarHBondContact O-N 3.32Å; G1580-S1583 PolarHBondContact O-OG 2.84Å; G1580-V1584 PolarHBondContact O-N 3.12Å
1581I91.7Very high82.6Confident1 Ų141.6 Ų41.61%0.00522%0.22CC..Hα-helixtrans-64.9-41.4177.2-68.6168.9000111.4I1490 L1493 L1535 N1577 V1578 S1583 V1584 F1585 I1628 F1632I1490-I1581 HydrophobicContact CG1-CD1 4.41Å; L1493-I1581 HydrophobicContact CD2-CD1 3.5Å; L1535-I1581 HydrophobicContact CD1-CG2 3.64Å; N1577-I1581 WeakPolarHBondContact O-CG1 3.34Å; N1577-I1581 PolarHBondContact O-N 3.29Å; V1578-I1581 PolarHBondContact O-N 3.17Å; I1581-S1583 VanDerWaalsContact C-N 3.34Å; I1581-S1583 PolarHBondContact O-N 2.74Å; I1581-V1584 PolarHBondContact O-N 2.84Å; I1581-F1585 HydrophobicContact CG2-CD2 4.06Å; I1581-F1585 HydrophobicContact CG2-CE2 3.8Å; I1581-F1585 WeakPolarHBondContact O-CD2 3.24Å; I1581-F1585 PolarHBondContact O-N 2.92Å; I1581-I1628 HydrophobicContact CD1-CD1 4.18Å; I1581-I1628 HydrophobicContact CD1-CG1 4.48Å; I1581-F1632 HydrophobicContact CB-CD1 4.5Å; I1581-F1632 HydrophobicContact CG1-CD1 4.25Å; I1581-F1632 HydrophobicContact CG2-CD1 4.18Å; I1581-F1632 HydrophobicContact CG2-CE1 3.78Å; I1581-F1632 HydrophobicContact CG2-CZ 4.34Å
1582I89.7Confident84.1Confident12 Ų1234.9 Ų34.96%0.06218%0.184CC..Hα-helixtrans-57.4-46.2173.4-67.6162.4000110.7Y1532 L1535 L1539 V1578 K1579 V1584 F1585 D1586Y1532-I1582 HydrophobicContact CE2-CG2 4.12Å; L1535-I1582 HydrophobicContact CB-CD1 4.02Å; L1535-I1582 HydrophobicContact CB-CG1 3.84Å; L1535-I1582 HydrophobicContact CD1-CG1 4.44Å; L1539-I1582 HydrophobicContact CB-CD1 4.43Å; L1539-I1582 HydrophobicContact CD1-CD1 4.33Å; L1539-I1582 HydrophobicContact CD2-CD1 4.28Å; V1578-I1582 HydrophobicContact CG1-CD1 3.81Å; V1578-I1582 VanDerWaalsContact O-CG1 3.31Å; V1578-I1582 WeakPolarHBondContact O-CG1 3.46Å; V1578-I1582 PolarHBondContact O-N 3.29Å; K1579-I1582 PolarHBondContact O-N 2.81Å; I1582-V1584 PolarHBondContact O-N 3.07Å; I1582-V1584 VanDerWaalsContact O-N 3.16Å; I1582-F1585 WeakPolarHBondContact O-CA 3.18Å; I1582-F1585 WeakPolarHBondContact O-CB 3.19Å; I1582-F1585 PolarHBondContact O-N 3.12Å; I1582-D1586 PolarHBondContact O-N 3.24Å
1583S90.6Very high85.1Confident56 Ų5633.3 Ų33.339%0.39218%0.177SC..Hα-helixtrans-62.4-26-179.378.20000114.5K1579 G1580 I1581 T1587K1579-S1583 PolarHBondContact O-N 3.16Å; G1580-S1583 PolarHBondContact O-N 3.32Å; G1580-S1583 PolarHBondContact O-OG 2.84Å; I1581-S1583 VanDerWaalsContact C-N 3.34Å; I1581-S1583 PolarHBondContact O-N 2.74Å; S1583-T1587 VanDerWaalsContact O-CB 3.26Å; S1583-T1587 WeakPolarHBondContact O-CB 3.42Å; S1583-T1587 PolarHBondContact O-N 2.9Å; S1583-T1587 PolarHBondContact O-OG1 2.76Å
1584V91.8Very high86Confident2 Ų233.4 Ų33.41%0.01218%0.176CC..Hα-helixtrans-75.9-38.7173.2173.20000111L1481 G1580 I1581 I1582 T1587 I1588 L1619 V1629 F1632 K1633 I1636L1481-V1584 HydrophobicContact CD2-CG1 4.48Å; G1580-V1584 PolarHBondContact O-N 3.12Å; I1581-V1584 PolarHBondContact O-N 2.84Å; I1582-V1584 PolarHBondContact O-N 3.07Å; I1582-V1584 VanDerWaalsContact O-N 3.16Å; V1584-T1587 PolarHBondContact O-N 2.7Å; V1584-I1588 HydrophobicContact CG1-CD1 4.43Å; V1584-I1588 PolarHBondContact O-N 3.01Å; V1584-L1619 HydrophobicContact CG1-CD2 3.92Å; V1584-V1629 HydrophobicContact CG2-CG1 4.32Å; V1584-F1632 HydrophobicContact CB-CD1 3.84Å; V1584-F1632 HydrophobicContact CB-CE1 3.84Å; V1584-F1632 HydrophobicContact CG1-CD1 3.64Å; V1584-F1632 HydrophobicContact CG1-CE1 3.58Å; V1584-F1632 HydrophobicContact CG2-CD1 4.19Å; V1584-K1633 HydrophobicContact CG2-CG 3.96Å; V1584-I1636 HydrophobicContact CG1-CD1 3.62Å
1585F88.9Confident86.4Confident0 Ų030.6 Ų30.60%016%0.161CC..Hα-helixtrans-61.1-48.3169.8-81.7-68.8000111.7L1481 L1485 C1528 Y1532 L1535 I1581 I1582 T1587 I1588 G1589 F1632 L1835 L1836L1481-F1585 HydrophobicContact CD1-CD1 4.15Å; L1481-F1585 HydrophobicContact CD1-CE1 4.13Å; L1481-F1585 HydrophobicContact CD2-CD1 4.18Å; L1481-F1585 HydrophobicContact CD2-CE1 3.83Å; L1481-F1585 HydrophobicContact CD2-CZ 4.23Å; L1481-F1585 HydrophobicContact CG-CE1 4.45Å; L1485-F1585 HydrophobicContact CD1-CZ 4.08Å; L1485-F1585 HydrophobicContact CD2-CE2 4.28Å; L1485-F1585 HydrophobicContact CD2-CZ 3.94Å; L1485-F1585 HydrophobicContact CG-CZ 4.2Å; C1528-F1585 HydrophobicContact CB-CE1 4.05Å; Y1532-F1585 HydrophobicContact CD2-CB 3.62Å; Y1532-F1585 HydrophobicContact CD2-CD2 4.26Å; Y1532-F1585 AromaticContact CD2-CG 3.96Å; Y1532-F1585 HydrophobicContact CD2-CG 3.96Å; Y1532-F1585 HydrophobicContact CE2-CB 4.01Å; L1535-F1585 HydrophobicContact CD1-CD2 4.42Å; L1535-F1585 HydrophobicContact CD1-CE2 4.14Å; I1581-F1585 HydrophobicContact CG2-CD2 4.06Å; I1581-F1585 HydrophobicContact CG2-CE2 3.8Å; I1581-F1585 WeakPolarHBondContact O-CD2 3.24Å; I1581-F1585 PolarHBondContact O-N 2.92Å; I1582-F1585 WeakPolarHBondContact O-CA 3.18Å; I1582-F1585 WeakPolarHBondContact O-CB 3.19Å; I1582-F1585 PolarHBondContact O-N 3.12Å; F1585-T1587 VanDerWaalsContact C-N 3.3Å; F1585-T1587 PolarHBondContact O-N 3.34Å; F1585-I1588 PolarHBondContact O-N 3.28Å; F1585-G1589 PolarHBondContact O-N 2.91Å; F1585-F1632 HydrophobicContact CD2-CE1 4.41Å; F1585-F1632 HydrophobicContact CE2-CE1 4.11Å; F1585-F1632 AromaticContact CE2-CZ 3.88Å; F1585-F1632 HydrophobicContact CE2-CZ 3.88Å; F1585-F1632 AromaticContact CZ-CZ 3.9Å; F1585-F1632 HydrophobicContact CZ-CZ 3.9Å; F1585-L1835 HydrophobicContact CE1-CD1 4.45Å; F1585-L1836 HydrophobicContact CB-CD1 4.45Å
1586D85.9Confident85.7Confident55 Ų5531.6 Ų31.629%0.29417%0.165SC..Hα-helixtrans-60.1-40.9178.7-63.7-26000111.9Y1532 I1582 I1588 G1589 Q1590Y1532-D1586 PolarHBondContact OH-OD1 2.76Å; I1582-D1586 PolarHBondContact O-N 3.24Å; D1586-I1588 VanDerWaalsContact C-N 3.31Å; D1586-I1588 PolarHBondContact O-N 3.37Å; D1586-G1589 PolarHBondContact O-N 3.47Å; D1586-Q1590 WeakPolarHBondContact O-CB 3.29Å; D1586-Q1590 WeakPolarHBondContact O-CG 3.49Å; D1586-Q1590 PolarHBondContact O-N 3.32Å
1587T89.1Confident85.2Confident18 Ų1829 Ų2911%0.1115%0.152CC..Hα-helixtrans-59-40.2177.1-77.20000112.5S1583 V1584 F1585 T1591 L1614 R1618 L1619S1583-T1587 VanDerWaalsContact O-CB 3.26Å; S1583-T1587 WeakPolarHBondContact O-CB 3.42Å; S1583-T1587 PolarHBondContact O-N 2.9Å; S1583-T1587 PolarHBondContact O-OG1 2.76Å; V1584-T1587 PolarHBondContact O-N 2.7Å; F1585-T1587 VanDerWaalsContact C-N 3.3Å; F1585-T1587 PolarHBondContact O-N 3.34Å; T1587-T1591 PolarHBondContact O-N 3.01Å; T1587-T1591 PolarHBondContact O-OG1 3.1Å; T1587-L1614 HydrophobicContact CG2-CD1 3.81Å; T1587-R1618 HydrophobicContact CG2-CB 3.62Å; T1587-R1618 PolarHBondContact OG1-NH2 3.18Å; T1587-L1619 HydrophobicContact CG2-CD2 3.9Å; T1587-L1619 HydrophobicContact CG2-CG 4.49Å
1588I87.8Confident84.2Confident0 Ų034 Ų340%017%0.172CC..Hα-helixtrans-82.3-35.6177.8-67.3166.4000110.8L1477 L1481 V1584 F1585 D1586 Q1590 T1591 L1592 L1614 L1619 I1636 L1835L1477-I1588 HydrophobicContact CB-CG2 4.45Å; L1477-I1588 HydrophobicContact CD2-CG2 4.43Å; L1481-I1588 HydrophobicContact CD1-CB 4.01Å; L1481-I1588 HydrophobicContact CD1-CD1 3.54Å; L1481-I1588 HydrophobicContact CD1-CG1 4.36Å; L1481-I1588 HydrophobicContact CD1-CG2 3.74Å; L1481-I1588 HydrophobicContact CD2-CD1 4.01Å; L1481-I1588 HydrophobicContact CG-CD1 3.73Å; V1584-I1588 HydrophobicContact CG1-CD1 4.43Å; V1584-I1588 PolarHBondContact O-N 3.01Å; F1585-I1588 PolarHBondContact O-N 3.28Å; D1586-I1588 VanDerWaalsContact C-N 3.31Å; D1586-I1588 PolarHBondContact O-N 3.37Å; I1588-Q1590 PolarHBondContact O-N 3.45Å; I1588-T1591 WeakPolarHBondContact O-CA 3.46Å; I1588-T1591 VanDerWaalsContact O-CB 3.3Å; I1588-T1591 WeakPolarHBondContact O-CB 3.3Å; I1588-T1591 PolarHBondContact O-N 3.37Å; I1588-L1592 PolarHBondContact O-N 3.27Å; I1588-L1614 HydrophobicContact CG1-CD1 4.05Å; I1588-L1614 HydrophobicContact CG1-CD2 4.36Å; I1588-L1619 HydrophobicContact CD1-CD1 4.17Å; I1588-I1636 HydrophobicContact CD1-CD1 4.45Å; I1588-I1636 HydrophobicContact CD1-CG2 4.1Å; I1588-L1835 HydrophobicContact CG2-CD2 4.07Å
1589G82.3Confident83.3Confident17 Ų1739.1 Ų39.118%0.17520%0.2CC..Hα-helixtrans-57.2-47.9172.800000112.7F1585 D1586 T1591 L1592 E1593F1585-G1589 PolarHBondContact O-N 2.91Å; D1586-G1589 PolarHBondContact O-N 3.47Å; G1589-T1591 PolarHBondContact O-N 3.34Å; G1589-L1592 CarbonylContact O-C 3.49Å; G1589-L1592 WeakPolarHBondContact O-CA 3.31Å; G1589-L1592 WeakPolarHBondContact O-CB 3.45Å; G1589-L1592 PolarHBondContact O-N 2.83Å; G1589-E1593 PolarHBondContact O-N 3.38Å
1590Q82.6Confident82.6Confident60 Ų6035.6 Ų35.628%0.2819%0.185SC..Hα-helixtrans-61.7-29.9173.5-69162.519.800113F373 D1586 I1588 F1594F373-Q1590 HydrophobicContact CZ-CB 3.97Å; F373-Q1590 HydrophobicContact CZ-CG 4.43Å; D1586-Q1590 WeakPolarHBondContact O-CB 3.29Å; D1586-Q1590 WeakPolarHBondContact O-CG 3.49Å; D1586-Q1590 PolarHBondContact O-N 3.32Å; I1588-Q1590 PolarHBondContact O-N 3.45Å; Q1590-F1594 WeakPolarHBondContact O-CB 3.2Å; Q1590-F1594 PolarHBondContact O-N 3.27Å
1591T85.5Confident82.1Confident2 Ų237 Ų371%0.01219%0.189CC..Hα-helixtrans-71.8-34.7175.7-55.40000110.9T1587 I1588 G1589 I1595 I1610T1587-T1591 PolarHBondContact O-N 3.01Å; T1587-T1591 PolarHBondContact O-OG1 3.1Å; I1588-T1591 WeakPolarHBondContact O-CA 3.46Å; I1588-T1591 VanDerWaalsContact O-CB 3.3Å; I1588-T1591 WeakPolarHBondContact O-CB 3.3Å; I1588-T1591 PolarHBondContact O-N 3.37Å; G1589-T1591 PolarHBondContact O-N 3.34Å; T1591-I1595 VanDerWaalsContact O-CG1 3.31Å; T1591-I1595 WeakPolarHBondContact O-CG1 3.43Å; T1591-I1595 PolarHBondContact O-N 2.88Å; T1591-I1610 HydrophobicContact CG2-CG2 3.61Å
1592L80.6Confident81.8Confident5 Ų538.7 Ų38.73%0.02620%0.198CC..Hα-helixtrans-71.6-44.7171-63.6171000111.5V1474 L1477 I1588 G1589 F1594 I1595 H1596 L1835 L1838V1474-L1592 HydrophobicContact CB-CD2 4.48Å; V1474-L1592 HydrophobicContact CG1-CD2 4.04Å; V1474-L1592 HydrophobicContact CG2-CD2 4.03Å; L1477-L1592 HydrophobicContact CD1-CD2 4.11Å; I1588-L1592 PolarHBondContact O-N 3.27Å; G1589-L1592 CarbonylContact O-C 3.49Å; G1589-L1592 WeakPolarHBondContact O-CA 3.31Å; G1589-L1592 WeakPolarHBondContact O-CB 3.45Å; G1589-L1592 PolarHBondContact O-N 2.83Å; L1592-F1594 VanDerWaalsContact C-N 3.28Å; L1592-F1594 PolarHBondContact O-N 3.16Å; L1592-I1595 CarbonylContact O-C 3.52Å; L1592-I1595 WeakPolarHBondContact O-CA 3.43Å; L1592-I1595 WeakPolarHBondContact O-CB 3.49Å; L1592-I1595 PolarHBondContact O-N 3.22Å; L1592-H1596 PolarHBondContact O-CD2 2.77Å; L1592-H1596 PolarHBondContact O-N 3.46Å; L1592-L1835 HydrophobicContact CD1-CB 4.49Å; L1592-L1835 HydrophobicContact CD1-CD2 4.17Å; L1592-L1838 HydrophobicContact CD1-CD1 3.93Å; L1592-L1838 HydrophobicContact CD2-CD1 4.31Å
1593E77.3Confident81.7Confident117 Ų11738.2 Ų38.255%0.54720%0.195SC..Hα-helixtrans-54.9-43.5175.5-168.1-163.4161.100111.5G1589 H1596 K1597G1589-E1593 PolarHBondContact O-N 3.38Å; E1593-H1596 PolarHBondContact O-N 2.77Å; E1593-H1596 VanDerWaalsContact O-N 3.14Å; E1593-K1597 PolarHBondContact O-N 2.89Å
1594F82.1Confident81.8Confident19 Ų1935.5 Ų35.58%0.08318%0.176CC..Hα-helixtrans-56-50.5171.2166.8-109.5000111.9L374 M377 Q1590 L1592 H1596 K1597 L1600 M1606 I1610L374-F1594 HydrophobicContact CD2-CD2 3.44Å; L374-F1594 VanDerWaalsContact CD2-CD2 3.44Å; L374-F1594 HydrophobicContact CD2-CE2 3.36Å; M377-F1594 HydrophobicContact CE-CD1 3.76Å; M377-F1594 HydrophobicContact CE-CD2 3.8Å; M377-F1594 HydrophobicContact CE-CE1 3.68Å; M377-F1594 HydrophobicContact CE-CE2 3.71Å; M377-F1594 HydrophobicContact CE-CG 3.82Å; M377-F1594 HydrophobicContact CE-CZ 3.65Å; M377-F1594 HydrophobicContact SD-CD1 4.3Å; M377-F1594 HydrophobicContact SD-CG 4.32Å; Q1590-F1594 WeakPolarHBondContact O-CB 3.2Å; Q1590-F1594 PolarHBondContact O-N 3.27Å; L1592-F1594 VanDerWaalsContact C-N 3.28Å; L1592-F1594 PolarHBondContact O-N 3.16Å; F1594-H1596 PolarHBondContact O-N 3.21Å; F1594-K1597 WeakPolarHBondContact O-CB 3.34Å; F1594-K1597 PolarHBondContact O-N 3.06Å; F1594-L1600 HydrophobicContact CD2-CD1 3.71Å; F1594-L1600 HydrophobicContact CE1-CD1 4.44Å; F1594-L1600 HydrophobicContact CE2-CD1 3.3Å; F1594-L1600 HydrophobicContact CE2-CD2 4.43Å; F1594-L1600 HydrophobicContact CG-CD1 4.44Å; F1594-L1600 HydrophobicContact CZ-CD1 3.73Å; F1594-L1600 WeakPolarHBondContact O-CD1 3.28Å; F1594-M1606 HydrophobicContact CE1-CE 3.69Å; F1594-M1606 HydrophobicContact CZ-CE 3.62Å; F1594-I1610 HydrophobicContact CE1-CD1 4.12Å; F1594-I1610 HydrophobicContact CE1-CG1 4.33Å
1595I80.2Confident81.9Confident2 Ų235.4 Ų35.41%0.0118%0.176CC..Hα-helixtrans-61.9-28.1178.1-66.8168.1000111.6L1473 V1474 T1591 L1592 K1597 L1602 I1610 L1787 L1795L1473-I1595 HydrophobicContact CD2-CD1 4.22Å; V1474-I1595 HydrophobicContact CG2-CD1 4.33Å; V1474-I1595 HydrophobicContact CG2-CG2 4.43Å; T1591-I1595 VanDerWaalsContact O-CG1 3.31Å; T1591-I1595 WeakPolarHBondContact O-CG1 3.43Å; T1591-I1595 PolarHBondContact O-N 2.88Å; L1592-I1595 CarbonylContact O-C 3.52Å; L1592-I1595 WeakPolarHBondContact O-CA 3.43Å; L1592-I1595 WeakPolarHBondContact O-CB 3.49Å; L1592-I1595 PolarHBondContact O-N 3.22Å; I1595-K1597 VanDerWaalsContact C-N 3.34Å; I1595-L1602 HydrophobicContact CG2-CD1 4.13Å; I1595-L1602 HydrophobicContact CG2-CD2 4.45Å; I1595-L1602 WeakPolarHBondContact O-CD1 3.44Å; I1595-I1610 HydrophobicContact CD1-CD1 4.3Å; I1595-I1610 HydrophobicContact CG1-CD1 4.31Å; I1595-L1787 HydrophobicContact CD1-CD2 4.4Å; I1595-L1787 HydrophobicContact CG1-CD2 4.1Å; I1595-L1787 HydrophobicContact CG2-CD2 4.01Å; I1595-L1795 HydrophobicContact CG2-CD1 4.46Å
1596H69.7Low82.1Confident55 Ų5535.6 Ų35.626%0.25518%0.177SC..THydrogen-bonded Turntrans-82.8-5-179.5-59.4176.6000113.7L1592 E1593 F1594 K1598 L1795L1592-H1596 PolarHBondContact O-CD2 2.77Å; L1592-H1596 PolarHBondContact O-N 3.46Å; E1593-H1596 PolarHBondContact O-N 2.77Å; E1593-H1596 VanDerWaalsContact O-N 3.14Å; F1594-H1596 PolarHBondContact O-N 3.21Å; H1596-K1598 PolarHBondContact O-N 3.3Å; H1596-K1598 VanDerWaalsContact O-N 3.16Å; H1596-L1795 PolarHBondContact CE1-O 3.26Å; H1596-L1795 PolarHBondContact ND1-O 2.96Å; H1596-L1795 VanDerWaalsContact ND1-O 3.17Å
1597K75.4Confident82.6Confident56 Ų5633 Ų3324%0.24316%0.163CC..  trans-66.1114.7178.5-172.4-177176.1-177.30111.2E1593 F1594 I1595 D1599 L1600 E1758E1593-K1597 PolarHBondContact O-N 2.89Å; F1594-K1597 WeakPolarHBondContact O-CB 3.34Å; F1594-K1597 PolarHBondContact O-N 3.06Å; I1595-K1597 VanDerWaalsContact C-N 3.34Å; K1597-D1599 WeakPolarHBondContact CE-OD2 3.32Å; K1597-D1599 IonicContact NZ-OD2 2.71Å; K1597-D1599 PolarHBondContact O-N 2.95Å; K1597-L1600 HydrophobicContact CB-CD1 3.93Å; K1597-L1600 HydrophobicContact CB-CG 4.12Å; K1597-L1600 HydrophobicContact CD-CG 4.38Å; K1597-L1600 HydrophobicContact CG-CG 4.47Å; K1597-L1600 PolarHBondContact O-N 3.1Å; K1597-E1758 IonicContact NZ-OE1 2.71Å; K1597-E1758 PolarHBondContact NZ-OE1 3.12Å; K1597-E1758 IonicContact NZ-OE2 2.99Å; K1597-E1758 PolarHBondContact NZ-OE2 2.97Å; K1597-E1758 VanDerWaalsContact NZ-OE2 3.13Å
1598K65.8Low82.8Confident136 Ų13632.6 Ų32.659%0.59116%0.16SC*.THydrogen-bonded Turntrans-51.6-29.4-174.4-64.8-180-177.8173.90115.7D756 H1596 L1600D756-K1598 IonicContact OD2-NZ 2.66Å; D756-K1598 PolarHBondContact OD2-NZ 2.62Å; H1596-K1598 PolarHBondContact O-N 3.3Å; H1596-K1598 VanDerWaalsContact O-N 3.16Å; K1598-L1600 VanDerWaalsContact C-N 3.33Å
1599D70.5Confident83.1Confident108 Ų10833.2 Ų33.258%0.57816%0.163SC*.THydrogen-bonded Turntrans-84.8-4.5-175.2-44-55.6000113.3K1597K1597-D1599 WeakPolarHBondContact CE-OD2 3.32Å; K1597-D1599 IonicContact NZ-OD2 2.71Å; K1597-D1599 PolarHBondContact O-N 2.95Å
1600L75.9Confident83.7Confident14 Ų1432.9 Ų32.97%0.07316%0.157CC..  trans-90.5129.2-177.5-65.5178.2000112.7F1594 K1597 K1598 L1602 E1758F1594-L1600 HydrophobicContact CD2-CD1 3.71Å; F1594-L1600 HydrophobicContact CE1-CD1 4.44Å; F1594-L1600 HydrophobicContact CE2-CD1 3.3Å; F1594-L1600 HydrophobicContact CE2-CD2 4.43Å; F1594-L1600 HydrophobicContact CG-CD1 4.44Å; F1594-L1600 HydrophobicContact CZ-CD1 3.73Å; F1594-L1600 WeakPolarHBondContact O-CD1 3.28Å; K1597-L1600 HydrophobicContact CB-CD1 3.93Å; K1597-L1600 HydrophobicContact CB-CG 4.12Å; K1597-L1600 HydrophobicContact CD-CG 4.38Å; K1597-L1600 HydrophobicContact CG-CG 4.47Å; K1597-L1600 PolarHBondContact O-N 3.1Å; K1598-L1600 VanDerWaalsContact C-N 3.33Å; L1600-L1602 HydrophobicContact CB-CD2 3.88Å; L1600-L1602 PolarHBondContact O-N 3.47Å; L1600-L1602 VanDerWaalsContact O-N 3.16Å; L1600-E1758 HydrophobicContact CD2-CG 4.04Å
1601I81.3Confident84.3Confident43 Ų4330.1 Ų30.122%0.22115%0.145CC..  trans-81.397.2170.8-64.2-176.8000109.2T1348 T1603 R1663 D1760 Y1762T1348-I1601 HydrophobicContact CG2-CG2 4.42Å; I1601-T1603 HydrophobicContact CG2-CG2 4.13Å; I1601-T1603 PolarHBondContact O-N 3.48Å; I1601-T1603 PolarHBondContact O-OG1 3.11Å; I1601-R1663 PolarHBondContact O-NH1 2.75Å; I1601-R1663 VanDerWaalsContact O-NH1 3.16Å; I1601-R1663 PolarHBondContact O-NH2 3.43Å; I1601-D1760 HydrophobicContact CD1-CB 3.59Å; I1601-D1760 VanDerWaalsContact CD1-OD1 3.26Å; I1601-D1760 WeakPolarHBondContact CD1-OD1 3.23Å; I1601-Y1762 HydrophobicContact CG2-CD2 3.85Å; I1601-Y1762 HydrophobicContact CG2-CE2 3.52Å
1602L83.8Confident84.6Confident36 Ų3630.3 Ų30.319%0.18815%0.146CC..  trans-76.2111.1-174.9-55-175.5000111.6I1595 L1600 M1606 L1787 I1788I1595-L1602 HydrophobicContact CG2-CD1 4.13Å; I1595-L1602 HydrophobicContact CG2-CD2 4.45Å; I1595-L1602 WeakPolarHBondContact O-CD1 3.44Å; L1600-L1602 HydrophobicContact CB-CD2 3.88Å; L1600-L1602 PolarHBondContact O-N 3.47Å; L1600-L1602 VanDerWaalsContact O-N 3.16Å; L1602-M1606 HydrophobicContact CD2-CE 4.37Å; L1602-M1606 HydrophobicContact CD2-SD 4.34Å; L1602-L1787 HydrophobicContact CB-CB 3.99Å; L1602-L1787 HydrophobicContact CB-CD2 4.07Å; L1602-L1787 HydrophobicContact CD2-CD2 3.97Å; L1602-L1787 HydrophobicContact CG-CD2 4.43Å; L1602-I1788 HydrophobicContact CD1-CD1 4.14Å
1603T89.3Confident85.1Confident1 Ų130.4 Ų30.41%0.00615%0.147CC..BIsolated β-bridgetrans-138.4152.9-172.938.40000110.6I1601 S1605 M1606 R1663 Y1762 L1783 I1785I1601-T1603 HydrophobicContact CG2-CG2 4.13Å; I1601-T1603 PolarHBondContact O-N 3.48Å; I1601-T1603 PolarHBondContact O-OG1 3.11Å; T1603-S1605 PolarHBondContact O-N 3.29Å; T1603-S1605 VanDerWaalsContact O-N 3.11Å; T1603-S1605 PolarHBondContact OG1-OG 3.3Å; T1603-S1605 VanDerWaalsContact OG1-OG 3.09Å; T1603-M1606 VanDerWaalsContact O-CB 3.28Å; T1603-M1606 WeakPolarHBondContact O-CB 3.45Å; T1603-M1606 WeakPolarHBondContact O-CG 3Å; T1603-M1606 PolarHBondContact O-N 2.88Å; T1603-R1663 PolarHBondContact OG1-NH2 3.28Å; T1603-Y1762 HydrophobicContact CG2-CE2 4Å; T1603-L1783 HydrophobicContact CG2-CD2 4.48Å; T1603-L1783 WeakPolarHBondContact CG2-O 3.26Å; T1603-I1785 CarbonylContact C-O 3.53Å; T1603-I1785 WeakPolarHBondContact CA-O 3.48Å
1604G91.5Very high85.9Confident0 Ų024.9 Ų24.90%012%0.121CC..G310 helixtrans-61.5-20.9-177.100000113.8M1606 I1607 I1785G1604-M1606 PolarHBondContact O-N 2.84Å; G1604-I1607 WeakPolarHBondContact O-CB 3.13Å; G1604-I1607 WeakPolarHBondContact O-CG1 3.46Å; G1604-I1607 PolarHBondContact O-N 3.48Å; G1604-I1607 VanDerWaalsContact O-N 3.11Å; G1604-I1785 PolarHBondContact N-O 3.36Å
1605S94.3Very high86.5Confident0 Ų024.2 Ų24.20%012%0.118CC..G310 helixtrans-59.1-20.9168.154.50000114.1T1603 P1609 A1657 S1658 D1661T1603-S1605 PolarHBondContact O-N 3.29Å; T1603-S1605 VanDerWaalsContact O-N 3.11Å; T1603-S1605 PolarHBondContact OG1-OG 3.3Å; T1603-S1605 VanDerWaalsContact OG1-OG 3.09Å; S1605-P1609 WeakPolarHBondContact O-CD 3.31Å; S1605-P1609 WeakPolarHBondContact O-CG 3.4Å; S1605-A1657 WeakPolarHBondContact CB-O 3.28Å; S1605-S1658 PolarHBondContact O-OG 3.24Å; S1605-S1658 VanDerWaalsContact O-OG 3.05Å; S1605-D1661 WeakPolarHBondContact CB-OD2 3.22Å; S1605-D1661 PolarHBondContact OG-OD2 3.19Å
1606M94.2Very high87Confident3 Ų328.2 Ų28.22%0.01514%0.14CC..G310 helixtrans-80-21.5176.1-58.5176.667.200112.7F1594 L1602 T1603 G1604 K1608 P1609 I1610 F1664 L1787F1594-M1606 HydrophobicContact CE1-CE 3.69Å; F1594-M1606 HydrophobicContact CZ-CE 3.62Å; L1602-M1606 HydrophobicContact CD2-CE 4.37Å; L1602-M1606 HydrophobicContact CD2-SD 4.34Å; T1603-M1606 VanDerWaalsContact O-CB 3.28Å; T1603-M1606 WeakPolarHBondContact O-CB 3.45Å; T1603-M1606 WeakPolarHBondContact O-CG 3Å; T1603-M1606 PolarHBondContact O-N 2.88Å; G1604-M1606 PolarHBondContact O-N 2.84Å; M1606-K1608 PolarHBondContact O-N 3.06Å; M1606-P1609 WeakPolarHBondContact O-CD 3.46Å; M1606-I1610 HydrophobicContact CB-CD1 4.01Å; M1606-I1610 WeakPolarHBondContact O-CB 3.46Å; M1606-I1610 WeakPolarHBondContact O-CD1 3.39Å; M1606-I1610 VanDerWaalsContact O-CG1 3.24Å; M1606-I1610 WeakPolarHBondContact O-CG1 3.35Å; M1606-I1610 PolarHBondContact O-N 2.78Å; M1606-F1664 HydrophobicContact CB-CE2 4.37Å; M1606-F1664 HydrophobicContact CB-CZ 4.48Å; M1606-F1664 HydrophobicContact CG-CE2 3.71Å; M1606-F1664 HydrophobicContact CG-CZ 3.87Å; M1606-L1787 HydrophobicContact CB-CD1 4.21Å; M1606-L1787 HydrophobicContact CB-CD2 4.49Å; M1606-L1787 HydrophobicContact SD-CD2 4.38Å
1607I94.9Very high88Confident0 Ų027.4 Ų27.40%014%0.137CC..Hα-helixtrans-58.6-53.1-173.3-65.4168.8000111.2L1473 G1604 I1610 L1611 F1644 L1654 L1787L1473-I1607 HydrophobicContact CB-CG1 4.45Å; G1604-I1607 WeakPolarHBondContact O-CB 3.13Å; G1604-I1607 WeakPolarHBondContact O-CG1 3.46Å; G1604-I1607 PolarHBondContact O-N 3.48Å; G1604-I1607 VanDerWaalsContact O-N 3.11Å; I1607-I1610 PolarHBondContact O-N 2.85Å; I1607-L1611 HydrophobicContact CG2-CD1 3.66Å; I1607-L1611 HydrophobicContact CG2-CG 4.37Å; I1607-L1611 WeakPolarHBondContact O-CB 3.32Å; I1607-L1611 WeakPolarHBondContact O-CG 3.36Å; I1607-L1611 PolarHBondContact O-N 3.37Å; I1607-F1644 HydrophobicContact CG2-CD1 4.09Å; I1607-F1644 HydrophobicContact CG2-CE1 3.77Å; I1607-F1644 HydrophobicContact CG2-CZ 4.23Å; I1607-L1654 HydrophobicContact CB-CD1 4.39Å; I1607-L1654 HydrophobicContact CB-CD2 3.99Å; I1607-L1654 HydrophobicContact CD1-CD2 3.74Å; I1607-L1654 HydrophobicContact CG1-CD2 4.39Å; I1607-L1654 HydrophobicContact CG2-CD1 3.78Å; I1607-L1654 HydrophobicContact CG2-CD2 4.22Å; I1607-L1787 HydrophobicContact CB-CD1 4.47Å; I1607-L1787 HydrophobicContact CD1-CD1 4.33Å; I1607-L1787 HydrophobicContact CG1-CD1 3.39Å
1608K94.4Very high88.7Confident11 Ų1127.9 Ų27.95%0.04814%0.137CC..Hα-helixtrans-70.6-40.4-176.5-163.956171.3-177.10113M1606 I1610 L1611 T1612 N1646 L1654 W1655M1606-K1608 PolarHBondContact O-N 3.06Å; K1608-I1610 PolarHBondContact O-N 2.87Å; K1608-L1611 PolarHBondContact O-N 3.31Å; K1608-T1612 WeakPolarHBondContact O-CB 3.28Å; K1608-T1612 PolarHBondContact O-N 3.39Å; K1608-T1612 PolarHBondContact O-OG1 3.24Å; K1608-N1646 PolarHBondContact NZ-OD1 3.18Å; K1608-N1646 VanDerWaalsContact NZ-OD1 3.1Å; K1608-L1654 HydrophobicContact CB-CB 4.36Å; K1608-W1655 HydrophobicContact CD-CZ2 4.21Å; K1608-W1655 HydrophobicContact CG-CD2 4.02Å; K1608-W1655 HydrophobicContact CG-CE3 4.34Å; K1608-W1655 HydrophobicContact CG-CH2 4.02Å; K1608-W1655 HydrophobicContact CG-CZ2 3.65Å; K1608-W1655 HydrophobicContact CG-CZ3 4.35Å
1609P93.8Very high90.1Very high12 Ų1221.7 Ų21.78%0.07811%0.11CC..Hα-helixtrans-53.6-45.8168.5-29.835.4000113.7S1605 M1606 T1612 N1613 S1658 F1664S1605-P1609 WeakPolarHBondContact O-CD 3.31Å; S1605-P1609 WeakPolarHBondContact O-CG 3.4Å; M1606-P1609 WeakPolarHBondContact O-CD 3.46Å; P1609-T1612 PolarHBondContact O-N 2.87Å; P1609-N1613 PolarHBondContact O-N 3.43Å; P1609-S1658 WeakPolarHBondContact CD-OG 3.35Å; P1609-F1664 HydrophobicContact CB-CD1 4Å; P1609-F1664 HydrophobicContact CB-CE1 4.2Å; P1609-F1664 HydrophobicContact CB-CG 4.31Å; P1609-F1664 HydrophobicContact CG-CB 4.02Å; P1609-F1664 HydrophobicContact CG-CD1 3.84Å; P1609-F1664 HydrophobicContact CG-CD2 3.9Å; P1609-F1664 HydrophobicContact CG-CE1 4.32Å; P1609-F1664 HydrophobicContact CG-CE2 4.39Å; P1609-F1664 HydrophobicContact CG-CG 3.62Å
1610I94.5Very high91Very high10 Ų1018 Ų185%0.05110%0.095CC..Hα-helixtrans-64.5-50.9178.4-66.3164.1000110.7L1473 T1591 F1594 I1595 M1606 I1607 K1608 T1612 N1613 L1614 L1787L1473-I1610 HydrophobicContact CD2-CB 4.16Å; L1473-I1610 HydrophobicContact CD2-CD1 3.9Å; L1473-I1610 HydrophobicContact CD2-CG2 3.96Å; T1591-I1610 HydrophobicContact CG2-CG2 3.61Å; F1594-I1610 HydrophobicContact CE1-CD1 4.12Å; F1594-I1610 HydrophobicContact CE1-CG1 4.33Å; I1595-I1610 HydrophobicContact CD1-CD1 4.3Å; I1595-I1610 HydrophobicContact CG1-CD1 4.31Å; M1606-I1610 HydrophobicContact CB-CD1 4.01Å; M1606-I1610 WeakPolarHBondContact O-CB 3.46Å; M1606-I1610 WeakPolarHBondContact O-CD1 3.39Å; M1606-I1610 VanDerWaalsContact O-CG1 3.24Å; M1606-I1610 WeakPolarHBondContact O-CG1 3.35Å; M1606-I1610 PolarHBondContact O-N 2.78Å; I1607-I1610 PolarHBondContact O-N 2.85Å; K1608-I1610 PolarHBondContact O-N 2.87Å; I1610-T1612 VanDerWaalsContact C-N 3.26Å; I1610-T1612 PolarHBondContact O-N 2.9Å; I1610-N1613 PolarHBondContact O-N 3.48Å; I1610-L1614 WeakPolarHBondContact O-CB 3.35Å; I1610-L1614 PolarHBondContact O-N 3.38Å; I1610-L1787 HydrophobicContact CD1-CD1 4.46Å; I1610-L1787 HydrophobicContact CD1-CD2 4.48Å
1611L94.6Very high91.6Very high3 Ų324.2 Ų24.22%0.01612%0.123CC..Hα-helixtrans-59.9-36.2177.3-69.7169.2000112.6L1473 I1607 K1608 C1615 L1640 F1644L1473-L1611 HydrophobicContact CD1-CD2 3.76Å; L1473-L1611 HydrophobicContact CD1-CG 4.03Å; I1607-L1611 HydrophobicContact CG2-CD1 3.66Å; I1607-L1611 HydrophobicContact CG2-CG 4.37Å; I1607-L1611 WeakPolarHBondContact O-CB 3.32Å; I1607-L1611 WeakPolarHBondContact O-CG 3.36Å; I1607-L1611 PolarHBondContact O-N 3.37Å; K1608-L1611 PolarHBondContact O-N 3.31Å; L1611-C1615 WeakPolarHBondContact O-CB 3.33Å; L1611-C1615 PolarHBondContact O-N 2.87Å; L1611-L1640 HydrophobicContact CD2-CB 4.38Å; L1611-L1640 HydrophobicContact CD2-CD2 4.39Å; L1611-F1644 HydrophobicContact CD1-CB 3.68Å; L1611-F1644 HydrophobicContact CD1-CD1 3.96Å; L1611-F1644 HydrophobicContact CD1-CD2 3.51Å; L1611-F1644 HydrophobicContact CD1-CE1 4.47Å; L1611-F1644 HydrophobicContact CD1-CE2 4.07Å; L1611-F1644 HydrophobicContact CD1-CG 3.44Å; L1611-F1644 VanDerWaalsContact CD1-CG 3.44Å; L1611-F1644 HydrophobicContact CD2-CD2 4.02Å; L1611-F1644 HydrophobicContact CD2-CE2 4.3Å; L1611-F1644 HydrophobicContact CG-CD2 4.41Å
1612T92.3Very high91.7Very high6 Ų626.5 Ų26.54%0.03713%0.133CC..Hα-helixtrans-70.9-28.9176.7-55.20000111.8K1608 P1609 I1610 D1616 K1671K1608-T1612 WeakPolarHBondContact O-CB 3.28Å; K1608-T1612 PolarHBondContact O-N 3.39Å; K1608-T1612 PolarHBondContact O-OG1 3.24Å; P1609-T1612 PolarHBondContact O-N 2.87Å; I1610-T1612 VanDerWaalsContact C-N 3.26Å; I1610-T1612 PolarHBondContact O-N 2.9Å; T1612-D1616 WeakPolarHBondContact CG2-OD2 3.44Å; T1612-D1616 VanDerWaalsContact O-CB 3.31Å; T1612-D1616 WeakPolarHBondContact O-CB 3.43Å; T1612-K1671 HydrophobicContact CG2-CD 4.29Å; T1612-K1671 VanDerWaalsContact CG2-NZ 3.33Å
1613N92Very high91.3Very high7 Ų728.5 Ų28.54%0.03715%0.15CC..Hα-helixtrans-76-48.7170.1170.5-86.4000111.3M377 P1609 I1610 I1617 R1618M377-N1613 PolarHBondContact O-ND2 3.33Å; P1609-N1613 PolarHBondContact O-N 3.43Å; I1610-N1613 PolarHBondContact O-N 3.48Å; N1613-I1617 HydrophobicContact CB-CD1 4.39Å; N1613-I1617 VanDerWaalsContact O-CB 3.23Å; N1613-I1617 WeakPolarHBondContact O-CB 3.39Å; N1613-I1617 VanDerWaalsContact O-CG1 3.29Å; N1613-I1617 WeakPolarHBondContact O-CG1 3.45Å; N1613-I1617 PolarHBondContact O-N 3.33Å; N1613-R1618 PolarHBondContact O-N 3.5Å; N1613-R1618 VanDerWaalsContact OD1-CD 3.27Å; N1613-R1618 WeakPolarHBondContact OD1-CD 3.12Å; N1613-R1618 WeakPolarHBondContact OD1-CG 3.5Å
1614L93.8Very high90.7Very high0 Ų032.4 Ų32.40%018%0.178CC..Iπ-helixtrans-67.2-53.2-171.4-174.566.6000111.1L1477 T1587 I1588 I1610 R1618 L1619 L1640L1477-L1614 HydrophobicContact CD2-CD2 3.35Å; T1587-L1614 HydrophobicContact CG2-CD1 3.81Å; I1588-L1614 HydrophobicContact CG1-CD1 4.05Å; I1588-L1614 HydrophobicContact CG1-CD2 4.36Å; I1610-L1614 WeakPolarHBondContact O-CB 3.35Å; I1610-L1614 PolarHBondContact O-N 3.38Å; L1614-R1618 HydrophobicContact CD1-CB 4.35Å; L1614-R1618 CarbonylContact O-C 3.21Å; L1614-R1618 PolarHBondContact O-N 2.78Å; L1614-R1618 VanDerWaalsContact O-N 3.16Å; L1614-L1619 HydrophobicContact CD1-CD1 3.99Å; L1614-L1619 HydrophobicContact CD1-CG 4Å; L1614-L1619 HydrophobicContact CD2-CD1 4.25Å; L1614-L1619 HydrophobicContact CG-CD1 3.76Å; L1614-L1619 HydrophobicContact CG-CG 4.13Å; L1614-L1619 WeakPolarHBondContact O-CB 3.43Å; L1614-L1619 PolarHBondContact O-N 3.35Å; L1614-L1640 HydrophobicContact CD2-CD1 4.1Å
1615C94.3Very high90Very high6 Ų635 Ų354%0.04119%0.191CC..Iπ-helixtrans-79.9-46.1-174.1-60.20000113.2L1611 I1617 V1637 M1641L1611-C1615 WeakPolarHBondContact O-CB 3.33Å; L1611-C1615 PolarHBondContact O-N 2.87Å; C1615-I1617 PolarHBondContact O-N 3.36Å; C1615-V1637 HydrophobicContact CB-CG1 4.01Å; C1615-V1637 HydrophobicContact CB-CG2 4.1Å; C1615-M1641 HydrophobicContact CB-CE 3.43Å; C1615-M1641 VanDerWaalsContact CB-CE 3.43Å
1616D90.3Very high89.6Confident86 Ų8638.1 Ų38.146%0.4621%0.207SC..Iπ-helixtrans-77.3-2.5-174.2-48.6-1.7000113T1612T1612-D1616 WeakPolarHBondContact CG2-OD2 3.44Å; T1612-D1616 VanDerWaalsContact O-CB 3.31Å; T1612-D1616 WeakPolarHBondContact O-CB 3.43Å
1617I90.7Very high89.3Confident37 Ų3743.9 Ų43.919%0.1924%0.243CC..Iπ-helixtrans-145.6-64.3-170.2-28.4172.7000112.9A381 A384 N1613 C1615 A1620A381-I1617 HydrophobicContact CB-CD1 3.6Å; A384-I1617 HydrophobicContact CB-CD1 4.29Å; A384-I1617 HydrophobicContact CB-CG1 3.97Å; A384-I1617 HydrophobicContact CB-CG2 4.34Å; N1613-I1617 HydrophobicContact CB-CD1 4.39Å; N1613-I1617 VanDerWaalsContact O-CB 3.23Å; N1613-I1617 WeakPolarHBondContact O-CB 3.39Å; N1613-I1617 VanDerWaalsContact O-CG1 3.29Å; N1613-I1617 WeakPolarHBondContact O-CG1 3.45Å; N1613-I1617 PolarHBondContact O-N 3.33Å; C1615-I1617 PolarHBondContact O-N 3.36Å; I1617-A1620 WeakPolarHBondContact O-CB 2.78Å; I1617-A1620 PolarHBondContact O-N 3.2Å
1618R91.2Very high89.1Confident67 Ų6744.3 Ų44.325%0.25325%0.245SC..Iπ-helixtrans-75.8-29.7-171.2-57.1-161.867.2176.8-0.1113.2T1587 N1613 L1614T1587-R1618 HydrophobicContact CG2-CB 3.62Å; T1587-R1618 PolarHBondContact OG1-NH2 3.18Å; N1613-R1618 PolarHBondContact O-N 3.5Å; N1613-R1618 VanDerWaalsContact OD1-CD 3.27Å; N1613-R1618 WeakPolarHBondContact OD1-CD 3.12Å; N1613-R1618 WeakPolarHBondContact OD1-CG 3.5Å; L1614-R1618 HydrophobicContact CD1-CB 4.35Å; L1614-R1618 CarbonylContact O-C 3.21Å; L1614-R1618 PolarHBondContact O-N 2.78Å; L1614-R1618 VanDerWaalsContact O-N 3.16Å
1619L93.9Very high89Confident5 Ų544 Ų443%0.02624%0.244CC..THydrogen-bonded Turntrans-110.317.7173.2-53.6179.9000111.4V1584 T1587 I1588 L1614 K1633 I1636 V1637V1584-L1619 HydrophobicContact CG1-CD2 3.92Å; T1587-L1619 HydrophobicContact CG2-CD2 3.9Å; T1587-L1619 HydrophobicContact CG2-CG 4.49Å; I1588-L1619 HydrophobicContact CD1-CD1 4.17Å; L1614-L1619 HydrophobicContact CD1-CD1 3.99Å; L1614-L1619 HydrophobicContact CD1-CG 4Å; L1614-L1619 HydrophobicContact CD2-CD1 4.25Å; L1614-L1619 HydrophobicContact CG-CD1 3.76Å; L1614-L1619 HydrophobicContact CG-CG 4.13Å; L1614-L1619 WeakPolarHBondContact O-CB 3.43Å; L1614-L1619 PolarHBondContact O-N 3.35Å; L1619-K1633 HydrophobicContact CB-CG 4.43Å; L1619-K1633 HydrophobicContact CD2-CG 4.3Å; L1619-I1636 HydrophobicContact CD1-CB 4.5Å; L1619-I1636 HydrophobicContact CD1-CG2 3.72Å; L1619-V1637 HydrophobicContact CB-CG2 3.56Å; L1619-V1637 HydrophobicContact CD1-CG2 4.09Å; L1619-V1637 HydrophobicContact CG-CG2 4.5Å
1620A90.8Very high89Confident30 Ų3044.2 Ų44.225%0.24824%0.244CC..  trans-64.6153.3173.800000110.6I1617 E1622 K1633I1617-A1620 WeakPolarHBondContact O-CB 2.78Å; I1617-A1620 PolarHBondContact O-N 3.2Å; A1620-E1622 PolarHBondContact O-N 2.95Å; A1620-K1633 PolarHBondContact O-NZ 3.12Å
1621H87.1Confident88.9Confident145 Ų14546.4 Ų46.467%0.67125%0.254SS*.  trans-76.1120.3-179.7169.4-70.6000111.7E1630H1621-E1630 WeakPolarHBondContact CA-OE2 3.36Å; H1621-E1630 WeakPolarHBondContact CB-OE2 3.4Å; H1621-E1630 IonicContact CD2-OE2 2.76Å; H1621-E1630 PolarHBondContact CD2-OE2 3.4Å; H1621-E1630 VanDerWaalsContact CD2-OE2 3.29Å; H1621-E1630 IonicContact CG-OE2 2.71Å
1622E83.9Confident88.9Confident91 Ų9146.2 Ų46.243%0.42525%0.253SS..  trans-118.4120.8-179.3-55.6159.512700109.3A1620 S1624 N1625 E1630 K1633A1620-E1622 PolarHBondContact O-N 2.95Å; E1622-S1624 PolarHBondContact O-N 2.94Å; E1622-N1625 WeakPolarHBondContact O-CB 3.1Å; E1622-N1625 PolarHBondContact O-N 3.1Å; E1622-N1625 PolarHBondContact OE2-ND2 3.39Å; E1622-E1630 PolarHBondContact N-OE1 3.28Å; E1622-K1633 IonicContact OE2-NZ 2.68Å; E1622-K1633 PolarHBondContact OE2-NZ 3.36Å
1623S75Confident89Confident79 Ų7946.3 Ų46.355%0.55225%0.253SS*.THydrogen-bonded Turntrans-69.23.9-17569.70000114.9
1624S77.3Confident89.2Confident83 Ų8349.1 Ų49.158%0.5827%0.273SS*.THydrogen-bonded Turntrans-92.1-13.8171.748.40000112.8E1622E1622-S1624 PolarHBondContact O-N 2.94Å
1625N77.2Confident89.3Confident54 Ų5450.7 Ų50.729%0.28928%0.283SS..SBendtrans-85.4158.5-177.2-66.6-20.2000111.9E1622 E1630 K1633E1622-N1625 WeakPolarHBondContact O-CB 3.1Å; E1622-N1625 PolarHBondContact O-N 3.1Å; E1622-N1625 PolarHBondContact OE2-ND2 3.39Å; N1625-E1630 HydrophobicContact CB-CG 3.79Å; N1625-E1630 WeakPolarHBondContact CB-OE1 3.43Å; N1625-E1630 PolarHBondContact ND2-OE1 3.15Å; N1625-K1633 PolarHBondContact ND2-NZ 3.43Å
1626L84.9Confident89.3Confident65 Ų6550.4 Ų50.434%0.3428%0.281SS..  trans-76.6148.7179.1-60.9150.2000110.1Q1576 N1577 I1628 V1629 E1630Q1576-L1626 VanDerWaalsContact C-CD1 3.44Å; Q1576-L1626 HydrophobicContact CB-CD1 3.41Å; Q1576-L1626 VanDerWaalsContact CB-CD1 3.41Å; N1577-L1626 WeakPolarHBondContact OD1-CB 3.41Å; N1577-L1626 VanDerWaalsContact OD1-CD1 3.23Å; N1577-L1626 WeakPolarHBondContact OD1-CD1 3.23Å; L1626-I1628 VanDerWaalsContact C-N 3.3Å; L1626-I1628 PolarHBondContact O-N 2.8Å; L1626-V1629 HydrophobicContact CB-CG2 4.13Å; L1626-V1629 WeakPolarHBondContact O-CA 3.31Å; L1626-V1629 WeakPolarHBondContact O-CB 3.35Å; L1626-V1629 PolarHBondContact O-N 3.32Å; L1626-E1630 PolarHBondContact O-N 3.03Å; L1626-E1630 VanDerWaalsContact O-N 3.08Å
1627T88.5Confident89.6Confident124 Ų12447.8 Ų47.876%0.76127%0.268SS*.Hα-helixtrans-56.9-39.5-170.947.40000113.5V1629 E1630 E1631T1627-V1629 VanDerWaalsContact C-N 3.35Å; T1627-E1630 PolarHBondContact O-N 2.88Å; T1627-E1631 PolarHBondContact O-N 2.7Å
1628I91Very high89.9Confident9 Ų949.1 Ų49.15%0.04628%0.281CS..Hα-helixtrans-67.3-31.7176.1-167-179.3000113I1489 I1490 L1493 N1577 I1581 L1626 F1632I1489-I1628 HydrophobicContact CB-CD1 4.43Å; I1489-I1628 HydrophobicContact CB-CG1 4.25Å; I1489-I1628 HydrophobicContact CG2-CB 4.26Å; I1489-I1628 HydrophobicContact CG2-CD1 3.68Å; I1489-I1628 HydrophobicContact CG2-CG1 3.77Å; I1490-I1628 HydrophobicContact CD1-CG1 4.49Å; I1490-I1628 HydrophobicContact CG1-CD1 3.94Å; I1490-I1628 HydrophobicContact CG1-CG1 3.68Å; L1493-I1628 HydrophobicContact CB-CD1 4.18Å; L1493-I1628 HydrophobicContact CD2-CD1 3.85Å; N1577-I1628 HydrophobicContact CB-CG2 3.77Å; N1577-I1628 WeakPolarHBondContact OD1-CG2 3.5Å; I1581-I1628 HydrophobicContact CD1-CD1 4.18Å; I1581-I1628 HydrophobicContact CD1-CG1 4.48Å; L1626-I1628 VanDerWaalsContact C-N 3.3Å; L1626-I1628 PolarHBondContact O-N 2.8Å; I1628-F1632 WeakPolarHBondContact O-CB 3.29Å; I1628-F1632 PolarHBondContact O-N 2.72Å
1629V92.4Very high90.1Very high5 Ų548.7 Ų48.73%0.0328%0.28CS..Hα-helixtrans-73.5-37.7177.8-175.90000109.9V1584 L1626 T1627 F1632 K1633V1584-V1629 HydrophobicContact CG2-CG1 4.32Å; L1626-V1629 HydrophobicContact CB-CG2 4.13Å; L1626-V1629 WeakPolarHBondContact O-CA 3.31Å; L1626-V1629 WeakPolarHBondContact O-CB 3.35Å; L1626-V1629 PolarHBondContact O-N 3.32Å; T1627-V1629 VanDerWaalsContact C-N 3.35Å; V1629-F1632 WeakPolarHBondContact O-CB 3.22Å; V1629-F1632 PolarHBondContact O-N 3.12Å; V1629-K1633 WeakPolarHBondContact O-CB 3.43Å; V1629-K1633 WeakPolarHBondContact O-CG 3.49Å; V1629-K1633 PolarHBondContact O-N 3.5Å
1630E93.1Very high90.2Very high16 Ų1648.5 Ų48.58%0.07528%0.279CS..Hα-helixtrans-73.4-33.5173.5-71.9-60.7151.500112.8H1621 E1622 N1625 L1626 T1627 K1633 S1634H1621-E1630 WeakPolarHBondContact CA-OE2 3.36Å; H1621-E1630 WeakPolarHBondContact CB-OE2 3.4Å; H1621-E1630 IonicContact CD2-OE2 2.76Å; H1621-E1630 PolarHBondContact CD2-OE2 3.4Å; H1621-E1630 VanDerWaalsContact CD2-OE2 3.29Å; H1621-E1630 IonicContact CG-OE2 2.71Å; E1622-E1630 PolarHBondContact N-OE1 3.28Å; N1625-E1630 HydrophobicContact CB-CG 3.79Å; N1625-E1630 WeakPolarHBondContact CB-OE1 3.43Å; N1625-E1630 PolarHBondContact ND2-OE1 3.15Å; L1626-E1630 PolarHBondContact O-N 3.03Å; L1626-E1630 VanDerWaalsContact O-N 3.08Å; T1627-E1630 PolarHBondContact O-N 2.88Å; E1630-K1633 WeakPolarHBondContact OE1-CD 3.42Å; E1630-K1633 IonicContact OE1-NZ 2.78Å; E1630-K1633 PolarHBondContact OE1-NZ 2.84Å; E1630-S1634 WeakPolarHBondContact O-CB 3.45Å; E1630-S1634 PolarHBondContact O-N 3.45Å; E1630-S1634 PolarHBondContact O-OG 2.94Å
1631E93.1Very high90.3Very high56 Ų5649 Ų4926%0.26228%0.276SS..Hα-helixtrans-61.2-43.7167.2-171.4-174.2-179.600110.9T1487 I1489 T1627 S1634 T1635T1487-E1631 WeakPolarHBondContact CB-OE1 3.26Å; T1487-E1631 HydrophobicContact CG2-CG 4.21Å; I1489-E1631 WeakPolarHBondContact CB-OE2 3.3Å; I1489-E1631 VanDerWaalsContact CD1-OE2 3.25Å; I1489-E1631 WeakPolarHBondContact CD1-OE2 3.5Å; I1489-E1631 VanDerWaalsContact CG1-OE2 3.22Å; I1489-E1631 WeakPolarHBondContact CG1-OE2 3.26Å; T1627-E1631 PolarHBondContact O-N 2.7Å; E1631-S1634 PolarHBondContact O-OG 2.69Å; E1631-T1635 VanDerWaalsContact O-CB 3.24Å; E1631-T1635 WeakPolarHBondContact O-CB 3.47Å; E1631-T1635 PolarHBondContact O-N 2.82Å; E1631-T1635 PolarHBondContact O-OG1 2.81Å
1632F94.2Very high90.6Very high0 Ų047.8 Ų47.80%028%0.275CS..Hα-helixtrans-61.5-54.9177.3-164.7-143.2000111.5L1481 L1485 I1490 I1581 V1584 F1585 I1628 V1629 S1634 T1635 I1636L1481-F1632 HydrophobicContact CD2-CE1 3.94Å; L1481-F1632 HydrophobicContact CD2-CE2 3.97Å; L1481-F1632 HydrophobicContact CD2-CZ 3.34Å; L1485-F1632 HydrophobicContact CD2-CE2 4Å; L1485-F1632 HydrophobicContact CD2-CZ 4.07Å; L1485-F1632 HydrophobicContact CG-CE2 4.23Å; L1485-F1632 HydrophobicContact CG-CZ 4.47Å; I1490-F1632 HydrophobicContact CD1-CB 3.55Å; I1490-F1632 HydrophobicContact CD1-CD2 3.27Å; I1490-F1632 HydrophobicContact CD1-CE2 4.05Å; I1490-F1632 HydrophobicContact CD1-CG 3.56Å; I1581-F1632 HydrophobicContact CB-CD1 4.5Å; I1581-F1632 HydrophobicContact CG1-CD1 4.25Å; I1581-F1632 HydrophobicContact CG2-CD1 4.18Å; I1581-F1632 HydrophobicContact CG2-CE1 3.78Å; I1581-F1632 HydrophobicContact CG2-CZ 4.34Å; V1584-F1632 HydrophobicContact CB-CD1 3.84Å; V1584-F1632 HydrophobicContact CB-CE1 3.84Å; V1584-F1632 HydrophobicContact CG1-CD1 3.64Å; V1584-F1632 HydrophobicContact CG1-CE1 3.58Å; V1584-F1632 HydrophobicContact CG2-CD1 4.19Å; F1585-F1632 HydrophobicContact CD2-CE1 4.41Å; F1585-F1632 HydrophobicContact CE2-CE1 4.11Å; F1585-F1632 AromaticContact CE2-CZ 3.88Å; F1585-F1632 HydrophobicContact CE2-CZ 3.88Å; F1585-F1632 AromaticContact CZ-CZ 3.9Å; F1585-F1632 HydrophobicContact CZ-CZ 3.9Å; I1628-F1632 WeakPolarHBondContact O-CB 3.29Å; I1628-F1632 PolarHBondContact O-N 2.72Å; V1629-F1632 WeakPolarHBondContact O-CB 3.22Å; V1629-F1632 PolarHBondContact O-N 3.12Å; F1632-S1634 PolarHBondContact O-N 3.33Å; F1632-T1635 PolarHBondContact O-N 3.19Å; F1632-I1636 HydrophobicContact CD1-CD1 4.08Å; F1632-I1636 HydrophobicContact CD2-CD1 3.9Å; F1632-I1636 HydrophobicContact CD2-CG1 4.44Å; F1632-I1636 HydrophobicContact CE1-CD1 4.1Å; F1632-I1636 HydrophobicContact CE2-CD1 3.94Å; F1632-I1636 HydrophobicContact CG-CD1 3.99Å; F1632-I1636 HydrophobicContact CZ-CD1 4.05Å; F1632-I1636 VanDerWaalsContact O-CD1 3.31Å; F1632-I1636 WeakPolarHBondContact O-CD1 3.22Å; F1632-I1636 WeakPolarHBondContact O-CG1 3.41Å; F1632-I1636 PolarHBondContact O-N 2.87Å
1633K95.6Very high91.1Very high7 Ų744.6 Ų44.63%0.0326%0.262CS..Hα-helixtrans-54.7-52.7177-80177.5165.7-169.70111.7V1584 L1619 A1620 E1622 N1625 V1629 E1630 T1635 I1636 V1637V1584-K1633 HydrophobicContact CG2-CG 3.96Å; L1619-K1633 HydrophobicContact CB-CG 4.43Å; L1619-K1633 HydrophobicContact CD2-CG 4.3Å; A1620-K1633 PolarHBondContact O-NZ 3.12Å; E1622-K1633 IonicContact OE2-NZ 2.68Å; E1622-K1633 PolarHBondContact OE2-NZ 3.36Å; N1625-K1633 PolarHBondContact ND2-NZ 3.43Å; V1629-K1633 WeakPolarHBondContact O-CB 3.43Å; V1629-K1633 WeakPolarHBondContact O-CG 3.49Å; V1629-K1633 PolarHBondContact O-N 3.5Å; E1630-K1633 WeakPolarHBondContact OE1-CD 3.42Å; E1630-K1633 IonicContact OE1-NZ 2.78Å; E1630-K1633 PolarHBondContact OE1-NZ 2.84Å; K1633-T1635 VanDerWaalsContact C-N 3.34Å; K1633-T1635 PolarHBondContact O-N 3.23Å; K1633-I1636 PolarHBondContact O-N 3.03Å; K1633-V1637 WeakPolarHBondContact O-CB 3.25Å; K1633-V1637 WeakPolarHBondContact O-CG2 3.33Å; K1633-V1637 PolarHBondContact O-N 3.12Å
1634S95.1Very high92Very high66 Ų6641 Ų4146%0.46224%0.237SC..Hα-helixtrans-66.2-34.5-176.360.20000112.5E1630 E1631 F1632 S1638E1630-S1634 WeakPolarHBondContact O-CB 3.45Å; E1630-S1634 PolarHBondContact O-N 3.45Å; E1630-S1634 PolarHBondContact O-OG 2.94Å; E1631-S1634 PolarHBondContact O-OG 2.69Å; F1632-S1634 PolarHBondContact O-N 3.33Å; S1634-S1638 WeakPolarHBondContact O-CB 3.44Å; S1634-S1638 PolarHBondContact O-N 2.9Å
1635T96Very high92.7Very high34 Ų3439.1 Ų39.121%0.20922%0.223CC..Hα-helixtrans-65.2-46.2173.3-590000111.6V1483 T1487 E1631 F1632 K1633 S1638 Y1639V1483-T1635 HydrophobicContact CG1-CG2 3.75Å; T1487-T1635 HydrophobicContact CG2-CG2 3.99Å; E1631-T1635 VanDerWaalsContact O-CB 3.24Å; E1631-T1635 WeakPolarHBondContact O-CB 3.47Å; E1631-T1635 PolarHBondContact O-N 2.82Å; E1631-T1635 PolarHBondContact O-OG1 2.81Å; F1632-T1635 PolarHBondContact O-N 3.19Å; K1633-T1635 VanDerWaalsContact C-N 3.34Å; K1633-T1635 PolarHBondContact O-N 3.23Å; T1635-S1638 PolarHBondContact O-N 2.95Å; T1635-Y1639 PolarHBondContact O-N 2.87Å
1636I94.7Very high93.2Very high0 Ų040.6 Ų40.60%023%0.231CC..Hα-helixtrans-60.9-48.4176.3-65.3159000110.6A1480 L1481 V1584 I1588 L1619 F1632 K1633 Y1639 L1640A1480-I1636 HydrophobicContact CB-CB 4.49Å; A1480-I1636 HydrophobicContact CB-CG2 3.89Å; L1481-I1636 HydrophobicContact CD2-CD1 3.52Å; L1481-I1636 HydrophobicContact CD2-CG1 4.2Å; L1481-I1636 HydrophobicContact CG-CD1 4.21Å; L1481-I1636 HydrophobicContact CG-CG1 4.47Å; V1584-I1636 HydrophobicContact CG1-CD1 3.62Å; I1588-I1636 HydrophobicContact CD1-CD1 4.45Å; I1588-I1636 HydrophobicContact CD1-CG2 4.1Å; L1619-I1636 HydrophobicContact CD1-CB 4.5Å; L1619-I1636 HydrophobicContact CD1-CG2 3.72Å; F1632-I1636 HydrophobicContact CD1-CD1 4.08Å; F1632-I1636 HydrophobicContact CD2-CD1 3.9Å; F1632-I1636 HydrophobicContact CD2-CG1 4.44Å; F1632-I1636 HydrophobicContact CE1-CD1 4.1Å; F1632-I1636 HydrophobicContact CE2-CD1 3.94Å; F1632-I1636 HydrophobicContact CG-CD1 3.99Å; F1632-I1636 HydrophobicContact CZ-CD1 4.05Å; F1632-I1636 VanDerWaalsContact O-CD1 3.31Å; F1632-I1636 WeakPolarHBondContact O-CD1 3.22Å; F1632-I1636 WeakPolarHBondContact O-CG1 3.41Å; F1632-I1636 PolarHBondContact O-N 2.87Å; K1633-I1636 PolarHBondContact O-N 3.03Å; I1636-Y1639 PolarHBondContact O-N 2.82Å; I1636-L1640 HydrophobicContact CG2-CD1 4Å; I1636-L1640 WeakPolarHBondContact O-CG 3.29Å; I1636-L1640 PolarHBondContact O-N 2.82Å
1637V96.6Very high93.4Very high30 Ų3042.9 Ų42.918%0.18224%0.243CC..Hα-helixtrans-64.9-41-179.91700000111.5C1615 L1619 K1633 L1640 M1641C1615-V1637 HydrophobicContact CB-CG1 4.01Å; C1615-V1637 HydrophobicContact CB-CG2 4.1Å; L1619-V1637 HydrophobicContact CB-CG2 3.56Å; L1619-V1637 HydrophobicContact CD1-CG2 4.09Å; L1619-V1637 HydrophobicContact CG-CG2 4.5Å; K1633-V1637 WeakPolarHBondContact O-CB 3.25Å; K1633-V1637 WeakPolarHBondContact O-CG2 3.33Å; K1633-V1637 PolarHBondContact O-N 3.12Å; V1637-L1640 PolarHBondContact O-N 2.98Å; V1637-M1641 HydrophobicContact CG1-CG 4.29Å; V1637-M1641 WeakPolarHBondContact O-CB 3.38Å; V1637-M1641 VanDerWaalsContact O-CG 3.25Å; V1637-M1641 WeakPolarHBondContact O-CG 3.3Å; V1637-M1641 PolarHBondContact O-N 3.22Å
1638S95.8Very high93.4Very high65 Ų6539.1 Ų39.146%0.45523%0.229SC..Hα-helixtrans-59.5-48.3175-177.40000111.2S1634 T1635 L1640 M1641 N1642S1634-S1638 WeakPolarHBondContact O-CB 3.44Å; S1634-S1638 PolarHBondContact O-N 2.9Å; T1635-S1638 PolarHBondContact O-N 2.95Å; S1638-L1640 PolarHBondContact O-N 2.94Å; S1638-M1641 PolarHBondContact O-N 2.87Å; S1638-N1642 VanDerWaalsContact O-CG 3.25Å; S1638-N1642 PolarHBondContact O-N 3.47Å; S1638-N1642 PolarHBondContact O-ND2 3.45Å
1639Y96Very high93.4Very high58 Ų5841.6 Ų41.623%0.22725%0.251CS..Hα-helixtrans-57.8-51.1176-170-86.5000111.7K1479 A1480 V1483 T1635 I1636 M1641 N1642 S1643K1479-Y1639 HydrophobicContact CB-CE1 3.58Å; K1479-Y1639 HydrophobicContact CD-CE1 4.38Å; K1479-Y1639 WeakPolarHBondContact CD-OH 3.26Å; A1480-Y1639 HydrophobicContact CB-CD1 3.62Å; A1480-Y1639 HydrophobicContact CB-CE1 4.5Å; A1480-Y1639 HydrophobicContact CB-CG 4.09Å; V1483-Y1639 HydrophobicContact CG1-CD2 3.89Å; V1483-Y1639 HydrophobicContact CG1-CG 4.37Å; V1483-Y1639 HydrophobicContact CG2-CD2 3.78Å; V1483-Y1639 HydrophobicContact CG2-CE2 3.79Å; T1635-Y1639 PolarHBondContact O-N 2.87Å; I1636-Y1639 PolarHBondContact O-N 2.82Å; Y1639-M1641 VanDerWaalsContact C-N 3.3Å; Y1639-M1641 PolarHBondContact O-N 2.86Å; Y1639-N1642 PolarHBondContact O-N 3.22Å; Y1639-S1643 WeakPolarHBondContact CE1-OG 3.41Å; Y1639-S1643 PolarHBondContact O-N 3.26Å; Y1639-S1643 PolarHBondContact O-OG 2.84Å
1640L95.5Very high93.4Very high1 Ų142.3 Ų42.31%0.00526%0.256CS..Hα-helixtrans-62.6-33.4-179.9-68.7172.3000113.2E1476 L1477 A1480 L1611 L1614 I1636 V1637 S1638 N1642 F1644E1476-L1640 HydrophobicContact CB-CD2 4.18Å; L1477-L1640 HydrophobicContact CD2-CD1 4.05Å; L1477-L1640 HydrophobicContact CD2-CD2 4.23Å; A1480-L1640 HydrophobicContact CB-CD1 4.4Å; A1480-L1640 HydrophobicContact CB-CD2 3.95Å; A1480-L1640 HydrophobicContact CB-CG 3.8Å; L1611-L1640 HydrophobicContact CD2-CB 4.38Å; L1611-L1640 HydrophobicContact CD2-CD2 4.39Å; L1614-L1640 HydrophobicContact CD2-CD1 4.1Å; I1636-L1640 HydrophobicContact CG2-CD1 4Å; I1636-L1640 WeakPolarHBondContact O-CG 3.29Å; I1636-L1640 PolarHBondContact O-N 2.82Å; V1637-L1640 PolarHBondContact O-N 2.98Å; S1638-L1640 PolarHBondContact O-N 2.94Å; L1640-N1642 VanDerWaalsContact C-N 3.34Å; L1640-F1644 WeakPolarHBondContact O-CB 3.27Å; L1640-F1644 WeakPolarHBondContact O-CD2 3.2Å; L1640-F1644 PolarHBondContact O-N 2.83Å
1641M93.7Very high93.4Very high41 Ų4143.1 Ų43.120%0.20226%0.258CS..Hα-helixtrans-75.8-21.8175.9-70.1-67.6160.900113.2C1615 V1637 S1638 Y1639 F1644 P1645 N1646C1615-M1641 HydrophobicContact CB-CE 3.43Å; C1615-M1641 VanDerWaalsContact CB-CE 3.43Å; V1637-M1641 HydrophobicContact CG1-CG 4.29Å; V1637-M1641 WeakPolarHBondContact O-CB 3.38Å; V1637-M1641 VanDerWaalsContact O-CG 3.25Å; V1637-M1641 WeakPolarHBondContact O-CG 3.3Å; V1637-M1641 PolarHBondContact O-N 3.22Å; S1638-M1641 PolarHBondContact O-N 2.87Å; Y1639-M1641 VanDerWaalsContact C-N 3.3Å; Y1639-M1641 PolarHBondContact O-N 2.86Å; M1641-F1644 CarbonylContact O-C 3.59Å; M1641-P1645 WeakPolarHBondContact O-CA 3.42Å; M1641-N1646 PolarHBondContact SD-ND2 3.34Å; M1641-N1646 VanDerWaalsContact SD-ND2 3.42Å
1642N94.1Very high93.4Very high119 Ų11943.9 Ų43.964%0.63626%0.262SS*.Hα-helixtrans-80.8-43.8171.5-66.3-27.9000111.4S1638 Y1639 L1640 F1644S1638-N1642 VanDerWaalsContact O-CG 3.25Å; S1638-N1642 PolarHBondContact O-N 3.47Å; S1638-N1642 PolarHBondContact O-ND2 3.45Å; Y1639-N1642 PolarHBondContact O-N 3.22Å; L1640-N1642 VanDerWaalsContact C-N 3.34Å; N1642-F1644 VanDerWaalsContact C-N 3.32Å; N1642-F1644 PolarHBondContact O-N 3.46Å
1643S93.3Very high93.4Very high24 Ų2444.1 Ų44.117%0.16826%0.263CS..Hα-helixtrans-64.6-35.2174-60.10000112.4P1471 E1476 Y1639 P1645P1471-S1643 WeakPolarHBondContact CG-O 3.45Å; E1476-S1643 VanDerWaalsContact OE2-CB 3.32Å; E1476-S1643 WeakPolarHBondContact OE2-CB 3.37Å; E1476-S1643 PolarHBondContact OE2-OG 2.69Å; Y1639-S1643 WeakPolarHBondContact CE1-OG 3.41Å; Y1639-S1643 PolarHBondContact O-N 3.26Å; Y1639-S1643 PolarHBondContact O-OG 2.84Å; S1643-P1645 VanDerWaalsContact C-CD 3.48Å; S1643-P1645 VanDerWaalsContact O-CD 3.28Å; S1643-P1645 WeakPolarHBondContact O-CD 3.41Å
1644F95.1Very high93.4Very high4 Ų444 Ų442%0.01826%0.263CS..SBendtrans-117.772.4177.9-61.2-79.1000111.3P1471 L1473 E1476 I1607 L1611 L1640 M1641 N1642 L1654P1471-F1644 HydrophobicContact CB-CE1 3.82Å; P1471-F1644 HydrophobicContact CB-CE2 4.41Å; P1471-F1644 HydrophobicContact CB-CZ 3.71Å; P1471-F1644 HydrophobicContact CG-CD1 3.97Å; P1471-F1644 HydrophobicContact CG-CE1 3.62Å; P1471-F1644 HydrophobicContact CG-CZ 3.97Å; L1473-F1644 HydrophobicContact CD1-CE2 4.04Å; L1473-F1644 HydrophobicContact CD1-CZ 4.17Å; E1476-F1644 HydrophobicContact CB-CE2 3.8Å; E1476-F1644 HydrophobicContact CB-CZ 4.35Å; E1476-F1644 HydrophobicContact CG-CE2 3.89Å; E1476-F1644 HydrophobicContact CG-CZ 4.08Å; I1607-F1644 HydrophobicContact CG2-CD1 4.09Å; I1607-F1644 HydrophobicContact CG2-CE1 3.77Å; I1607-F1644 HydrophobicContact CG2-CZ 4.23Å; L1611-F1644 HydrophobicContact CD1-CB 3.68Å; L1611-F1644 HydrophobicContact CD1-CD1 3.96Å; L1611-F1644 HydrophobicContact CD1-CD2 3.51Å; L1611-F1644 HydrophobicContact CD1-CE1 4.47Å; L1611-F1644 HydrophobicContact CD1-CE2 4.07Å; L1611-F1644 HydrophobicContact CD1-CG 3.44Å; L1611-F1644 VanDerWaalsContact CD1-CG 3.44Å; L1611-F1644 HydrophobicContact CD2-CD2 4.02Å; L1611-F1644 HydrophobicContact CD2-CE2 4.3Å; L1611-F1644 HydrophobicContact CG-CD2 4.41Å; L1640-F1644 WeakPolarHBondContact O-CB 3.27Å; L1640-F1644 WeakPolarHBondContact O-CD2 3.2Å; L1640-F1644 PolarHBondContact O-N 2.83Å; M1641-F1644 CarbonylContact O-C 3.59Å; N1642-F1644 VanDerWaalsContact C-N 3.32Å; N1642-F1644 PolarHBondContact O-N 3.46Å; F1644-L1654 HydrophobicContact CD1-CD1 3.89Å; F1644-L1654 HydrophobicContact CE1-CD1 4.42Å
1645P90.8Very high93.4Very high44 Ų4441.5 Ų41.529%0.28624%0.243SC..  trans-59154.4-171.524.4-34.8000112.8M1641 S1643 N1647 Y1651M1641-P1645 WeakPolarHBondContact O-CA 3.42Å; S1643-P1645 VanDerWaalsContact C-CD 3.48Å; S1643-P1645 VanDerWaalsContact O-CD 3.28Å; S1643-P1645 WeakPolarHBondContact O-CD 3.41Å; P1645-N1647 PolarHBondContact O-N 3.2Å; P1645-Y1651 WeakPolarHBondContact O-CB 3.48Å
1646N87.4Confident93.3Very high84 Ų8439.9 Ų39.945%0.44923%0.233SC..SBendtrans-8719.2-179.5-74.3-63.5000114K1608 M1641 Y1651K1608-N1646 PolarHBondContact NZ-OD1 3.18Å; K1608-N1646 VanDerWaalsContact NZ-OD1 3.1Å; M1641-N1646 PolarHBondContact SD-ND2 3.34Å; M1641-N1646 VanDerWaalsContact SD-ND2 3.42Å; N1646-Y1651 VanDerWaalsContact CA-CD2 3.46Å; N1646-Y1651 HydrophobicContact CB-CD2 4.4Å; N1646-Y1651 HydrophobicContact CB-CE2 4.31Å; N1646-Y1651 WeakPolarHBondContact O-CD2 3.33Å; N1646-Y1651 VanDerWaalsContact O-CE2 3.23Å; N1646-Y1651 WeakPolarHBondContact O-CE2 3.25Å
1647N88.7Confident93.4Very high113 Ų11340 Ų4060%0.60423%0.234SC*.SBendtrans-152.3173.8177.160.8-4.8000111.3P1645 Y1651P1645-N1647 PolarHBondContact O-N 3.2Å; N1647-Y1651 VanDerWaalsContact C-CB 3.48Å; N1647-Y1651 VanDerWaalsContact O-CB 3.22Å; N1647-Y1651 WeakPolarHBondContact O-CB 3.45Å
1648G89.7Confident93.4Very high45 Ų4538.5 Ų38.546%0.46423%0.225SC..Hα-helixtrans80-176.7176.300000115.4V1650 Y1651 E1652G1648-V1650 PolarHBondContact O-N 2.76Å; G1648-Y1651 WeakPolarHBondContact O-CB 3.41Å; G1648-Y1651 PolarHBondContact O-N 3.48Å; G1648-E1652 PolarHBondContact O-N 3.24Å; G1648-E1652 VanDerWaalsContact O-N 3.11Å
1649A89.8Confident93.4Very high62 Ų6235.4 Ų35.451%0.51220%0.203SC..Hα-helixtrans-63.3-37.1-17000000113.8I1468 T1653I1468-A1649 HydrophobicContact CD1-CB 3.84Å; I1468-A1649 WeakPolarHBondContact CD1-O 3.18Å; A1649-T1653 WeakPolarHBondContact O-CB 3.2Å; A1649-T1653 PolarHBondContact O-N 2.85Å; A1649-T1653 PolarHBondContact O-OG1 2.99Å
1650V93.1Very high93.4Very high20 Ų2032.7 Ų32.712%0.12119%0.193CC..Hα-helixtrans-63.8-48.4177.2178.90000110.3I1468 I1469 L1470 G1648 E1652 T1653 L1654I1468-V1650 HydrophobicContact CG1-CG2 4.49Å; I1469-V1650 WeakPolarHBondContact O-CG2 3.38Å; L1470-V1650 HydrophobicContact CD2-CG1 4.37Å; L1470-V1650 HydrophobicContact CG-CG1 4.48Å; G1648-V1650 PolarHBondContact O-N 2.76Å; V1650-E1652 PolarHBondContact O-N 3.23Å; V1650-T1653 PolarHBondContact O-N 3.14Å; V1650-L1654 HydrophobicContact CG1-CD1 4.06Å; V1650-L1654 HydrophobicContact CG1-CG 4.39Å; V1650-L1654 WeakPolarHBondContact O-CG 3.38Å; V1650-L1654 PolarHBondContact O-N 2.66Å
1651Y93.5Very high93.4Very high32 Ų3232.6 Ų32.613%0.12519%0.192CC..Hα-helixtrans-55.3-51.7175.6170.1-93.8000112.2P1645 N1646 N1647 G1648 T1653 L1654 W1655 K1672P1645-Y1651 WeakPolarHBondContact O-CB 3.48Å; N1646-Y1651 VanDerWaalsContact CA-CD2 3.46Å; N1646-Y1651 HydrophobicContact CB-CD2 4.4Å; N1646-Y1651 HydrophobicContact CB-CE2 4.31Å; N1646-Y1651 WeakPolarHBondContact O-CD2 3.33Å; N1646-Y1651 VanDerWaalsContact O-CE2 3.23Å; N1646-Y1651 WeakPolarHBondContact O-CE2 3.25Å; N1647-Y1651 VanDerWaalsContact C-CB 3.48Å; N1647-Y1651 VanDerWaalsContact O-CB 3.22Å; N1647-Y1651 WeakPolarHBondContact O-CB 3.45Å; G1648-Y1651 WeakPolarHBondContact O-CB 3.41Å; G1648-Y1651 PolarHBondContact O-N 3.48Å; Y1651-T1653 VanDerWaalsContact C-N 3.3Å; Y1651-T1653 PolarHBondContact O-N 3.02Å; Y1651-L1654 PolarHBondContact O-N 2.96Å; Y1651-W1655 AromaticContact CD2-CD1 3.47Å; Y1651-W1655 VanDerWaalsContact CD2-CD1 3.47Å; Y1651-W1655 AromaticContact CD2-NE1 3.43Å; Y1651-W1655 AromaticContact CE1-CD1 3.82Å; Y1651-W1655 AromaticContact CE2-CD1 3.32Å; Y1651-W1655 AromaticContact CE2-NE1 2.99Å; Y1651-W1655 AromaticContact CG-CD1 3.85Å; Y1651-W1655 AromaticContact CZ-CD1 3.48Å; Y1651-W1655 VanDerWaalsContact CZ-CD1 3.48Å; Y1651-W1655 AromaticContact CZ-NE1 3.46Å; Y1651-W1655 WeakPolarHBondContact O-CB 3.36Å; Y1651-W1655 VanDerWaalsContact O-CD1 3.22Å; Y1651-W1655 PolarHBondContact O-N 2.82Å; Y1651-K1672 PolarHBondContact OH-NZ 2.81Å
1652E92.6Very high93.5Very high72 Ų7230.7 Ų30.734%0.33618%0.183SC..Hα-helixtrans-62.7-39.9179.9-66.9-168.4178.700111.7G1648 V1650 W1655 I1656 L1678G1648-E1652 PolarHBondContact O-N 3.24Å; G1648-E1652 VanDerWaalsContact O-N 3.11Å; V1650-E1652 PolarHBondContact O-N 3.23Å; E1652-W1655 PolarHBondContact O-N 3.38Å; E1652-I1656 WeakPolarHBondContact O-CB 3.25Å; E1652-I1656 WeakPolarHBondContact O-CD1 3.43Å; E1652-I1656 WeakPolarHBondContact O-CG1 3.44Å; E1652-I1656 PolarHBondContact O-N 3.42Å; E1652-L1678 HydrophobicContact CB-CD1 4.43Å; E1652-L1678 HydrophobicContact CG-CD1 3.83Å
1653T94Very high93.5Very high5 Ų525.8 Ų25.83%0.03116%0.156CC..Hα-helixtrans-63.9-48.7-179.9-66.40000111.4I1468 L1470 A1649 V1650 Y1651 I1656 A1657 Y1782 I1785I1468-T1653 HydrophobicContact CD1-CG2 4.15Å; I1468-T1653 VanDerWaalsContact CD1-OG1 3.24Å; I1468-T1653 WeakPolarHBondContact CD1-OG1 3.23Å; L1470-T1653 HydrophobicContact CD2-CG2 4.11Å; A1649-T1653 WeakPolarHBondContact O-CB 3.2Å; A1649-T1653 PolarHBondContact O-N 2.85Å; A1649-T1653 PolarHBondContact O-OG1 2.99Å; V1650-T1653 PolarHBondContact O-N 3.14Å; Y1651-T1653 VanDerWaalsContact C-N 3.3Å; Y1651-T1653 PolarHBondContact O-N 3.02Å; T1653-I1656 PolarHBondContact O-N 3.3Å; T1653-A1657 WeakPolarHBondContact O-CB 3.49Å; T1653-A1657 PolarHBondContact O-N 2.8Å; T1653-Y1782 HydrophobicContact CG2-CD1 4.34Å; T1653-Y1782 HydrophobicContact CG2-CE1 3.77Å; T1653-Y1782 WeakPolarHBondContact O-CE1 3.12Å; T1653-I1785 HydrophobicContact CG2-CD1 3.76Å
1654L95.6Very high93.5Very high5 Ų525.2 Ų25.23%0.02615%0.15CC..Hα-helixtrans-65-41.8178.1-66.2-179.1000112.4L1470 I1607 K1608 F1644 V1650 Y1651 S1658L1470-L1654 HydrophobicContact CD2-CD2 3.58Å; L1470-L1654 HydrophobicContact CD2-CG 4.08Å; I1607-L1654 HydrophobicContact CB-CD1 4.39Å; I1607-L1654 HydrophobicContact CB-CD2 3.99Å; I1607-L1654 HydrophobicContact CD1-CD2 3.74Å; I1607-L1654 HydrophobicContact CG1-CD2 4.39Å; I1607-L1654 HydrophobicContact CG2-CD1 3.78Å; I1607-L1654 HydrophobicContact CG2-CD2 4.22Å; K1608-L1654 HydrophobicContact CB-CB 4.36Å; F1644-L1654 HydrophobicContact CD1-CD1 3.89Å; F1644-L1654 HydrophobicContact CE1-CD1 4.42Å; V1650-L1654 HydrophobicContact CG1-CD1 4.06Å; V1650-L1654 HydrophobicContact CG1-CG 4.39Å; V1650-L1654 WeakPolarHBondContact O-CG 3.38Å; V1650-L1654 PolarHBondContact O-N 2.66Å; Y1651-L1654 PolarHBondContact O-N 2.96Å; L1654-S1658 WeakPolarHBondContact O-CB 3.38Å; L1654-S1658 PolarHBondContact O-N 2.97Å; L1654-S1658 PolarHBondContact O-OG 3.31Å
1655W95.2Very high93.5Very high14 Ų1425 Ų255%0.05315%0.149CC..Hα-helixtrans-68.7-38.9178.2-83.5113.1000113.2K1608 Y1651 E1652 S1658 L1659 V1668 K1672 V1675K1608-W1655 HydrophobicContact CD-CZ2 4.21Å; K1608-W1655 HydrophobicContact CG-CD2 4.02Å; K1608-W1655 HydrophobicContact CG-CE3 4.34Å; K1608-W1655 HydrophobicContact CG-CH2 4.02Å; K1608-W1655 HydrophobicContact CG-CZ2 3.65Å; K1608-W1655 HydrophobicContact CG-CZ3 4.35Å; Y1651-W1655 AromaticContact CD2-CD1 3.47Å; Y1651-W1655 VanDerWaalsContact CD2-CD1 3.47Å; Y1651-W1655 AromaticContact CD2-NE1 3.43Å; Y1651-W1655 AromaticContact CE1-CD1 3.82Å; Y1651-W1655 AromaticContact CE2-CD1 3.32Å; Y1651-W1655 AromaticContact CE2-NE1 2.99Å; Y1651-W1655 AromaticContact CG-CD1 3.85Å; Y1651-W1655 AromaticContact CZ-CD1 3.48Å; Y1651-W1655 VanDerWaalsContact CZ-CD1 3.48Å; Y1651-W1655 AromaticContact CZ-NE1 3.46Å; Y1651-W1655 WeakPolarHBondContact O-CB 3.36Å; Y1651-W1655 VanDerWaalsContact O-CD1 3.22Å; Y1651-W1655 PolarHBondContact O-N 2.82Å; E1652-W1655 PolarHBondContact O-N 3.38Å; W1655-S1658 PolarHBondContact O-N 3.47Å; W1655-L1659 WeakPolarHBondContact O-CB 3.43Å; W1655-L1659 PolarHBondContact O-N 2.72Å; W1655-V1668 HydrophobicContact CE3-CB 4.46Å; W1655-V1668 HydrophobicContact CE3-CG1 3.65Å; W1655-V1668 HydrophobicContact CE3-CG2 4.17Å; W1655-V1668 HydrophobicContact CZ3-CB 4.42Å; W1655-V1668 HydrophobicContact CZ3-CG1 4Å; W1655-V1668 HydrophobicContact CZ3-CG2 4.08Å; W1655-K1672 HydrophobicContact CD2-CB 4.48Å; W1655-K1672 HydrophobicContact CD2-CG 4.07Å; W1655-K1672 HydrophobicContact CE3-CB 4.18Å; W1655-K1672 HydrophobicContact CE3-CG 4.01Å; W1655-K1672 HydrophobicContact CH2-CB 4.45Å; W1655-K1672 HydrophobicContact CH2-CG 3.56Å; W1655-K1672 HydrophobicContact CZ2-CD 4.26Å; W1655-K1672 HydrophobicContact CZ2-CG 3.62Å; W1655-K1672 HydrophobicContact CZ3-CB 4.15Å; W1655-K1672 HydrophobicContact CZ3-CG 3.75Å; W1655-V1675 HydrophobicContact CB-CB 4.49Å; W1655-V1675 HydrophobicContact CB-CG1 3.94Å; W1655-V1675 HydrophobicContact CB-CG2 3.66Å; W1655-V1675 HydrophobicContact CD2-CG2 4.37Å; W1655-V1675 HydrophobicContact CG-CG2 4Å
1656I95Very high93.5Very high0 Ų025 Ų250%015%0.15CC..Hα-helixtrans-69.6-39.3176.5-65.1167.2000110.3E1652 T1653 S1658 L1659 L1660 V1675 L1678 L1679 K1682 Y1782E1652-I1656 WeakPolarHBondContact O-CB 3.25Å; E1652-I1656 WeakPolarHBondContact O-CD1 3.43Å; E1652-I1656 WeakPolarHBondContact O-CG1 3.44Å; E1652-I1656 PolarHBondContact O-N 3.42Å; T1653-I1656 PolarHBondContact O-N 3.3Å; I1656-S1658 PolarHBondContact O-N 3.16Å; I1656-L1659 PolarHBondContact O-N 3.45Å; I1656-L1660 HydrophobicContact CG2-CD1 3.77Å; I1656-L1660 HydrophobicContact CG2-CG 4.36Å; I1656-L1660 WeakPolarHBondContact O-CB 3.32Å; I1656-L1660 WeakPolarHBondContact O-CG 3.48Å; I1656-L1660 PolarHBondContact O-N 2.99Å; I1656-V1675 HydrophobicContact CG1-CG1 3.88Å; I1656-L1678 HydrophobicContact CD1-CB 4.05Å; I1656-L1679 HydrophobicContact CG2-CD1 4.22Å; I1656-K1682 HydrophobicContact CD1-CD 4.11Å; I1656-Y1782 HydrophobicContact CB-CE1 4.19Å; I1656-Y1782 HydrophobicContact CB-CE2 4.11Å; I1656-Y1782 HydrophobicContact CG2-CD2 3.82Å; I1656-Y1782 HydrophobicContact CG2-CE1 4.26Å; I1656-Y1782 HydrophobicContact CG2-CE2 3.33Å; I1656-Y1782 HydrophobicContact CG2-CG 4.47Å
1657A95.4Very high93.6Very high1 Ų122.6 Ų22.61%0.00814%0.136CC..Hα-helixtrans-58.2-47.6171.400000111.7S1605 T1653 L1659 L1660 D1661 Y1782S1605-A1657 WeakPolarHBondContact CB-O 3.28Å; T1653-A1657 WeakPolarHBondContact O-CB 3.49Å; T1653-A1657 PolarHBondContact O-N 2.8Å; A1657-L1659 VanDerWaalsContact C-N 3.29Å; A1657-L1659 PolarHBondContact O-N 3.27Å; A1657-L1660 PolarHBondContact O-N 2.9Å; A1657-D1661 PolarHBondContact O-N 2.98Å; A1657-Y1782 HydrophobicContact CB-CD1 3.79Å; A1657-Y1782 HydrophobicContact CB-CG 4.28Å
1658S96.4Very high93.7Very high0 Ų017.3 Ų17.30%011%0.108CC..Hα-helixtrans-64-32.1177.4-51.10000112.7S1605 P1609 L1654 W1655 I1656 F1664S1605-S1658 PolarHBondContact O-OG 3.24Å; S1605-S1658 VanDerWaalsContact O-OG 3.05Å; P1609-S1658 WeakPolarHBondContact CD-OG 3.35Å; L1654-S1658 WeakPolarHBondContact O-CB 3.38Å; L1654-S1658 PolarHBondContact O-N 2.97Å; L1654-S1658 PolarHBondContact O-OG 3.31Å; W1655-S1658 PolarHBondContact O-N 3.47Å; I1656-S1658 PolarHBondContact O-N 3.16Å; S1658-F1664 WeakPolarHBondContact O-CB 3.34Å
1659L96.6Very high93.7Very high0 Ų018 Ų180%010%0.099CC..Hα-helixtrans-74.6-37.3176.2-176.457.9000112W1655 I1656 A1657 D1661 K1665 V1668 V1675 I1676 L1679 Y1749 L1750W1655-L1659 WeakPolarHBondContact O-CB 3.43Å; W1655-L1659 PolarHBondContact O-N 2.72Å; I1656-L1659 PolarHBondContact O-N 3.45Å; A1657-L1659 VanDerWaalsContact C-N 3.29Å; A1657-L1659 PolarHBondContact O-N 3.27Å; L1659-D1661 VanDerWaalsContact C-N 3.34Å; L1659-K1665 HydrophobicContact CD1-CG 4.33Å; L1659-V1668 HydrophobicContact CB-CB 4.36Å; L1659-V1668 HydrophobicContact CB-CG1 3.83Å; L1659-V1668 HydrophobicContact CD1-CB 4.1Å; L1659-V1668 HydrophobicContact CD1-CG1 4.01Å; L1659-V1668 HydrophobicContact CG-CG1 4.4Å; L1659-V1675 HydrophobicContact CB-CG1 4.21Å; L1659-V1675 HydrophobicContact CD2-CB 4.36Å; L1659-V1675 HydrophobicContact CD2-CG1 3.82Å; L1659-I1676 HydrophobicContact CD2-CG1 3.85Å; L1659-L1679 HydrophobicContact CD2-CB 4.16Å; L1659-L1679 HydrophobicContact CD2-CD2 3.6Å; L1659-L1679 HydrophobicContact CG-CD2 4.06Å; L1659-Y1749 VanDerWaalsContact O-CE1 3.22Å; L1659-Y1749 WeakPolarHBondContact O-CE1 3.4Å; L1659-Y1749 PolarHBondContact O-OH 3.27Å; L1659-L1750 HydrophobicContact CD1-CD2 3.98Å
1660L95.7Very high93.6Very high0 Ų021.5 Ų21.50%011%0.109CC..Hα-helixtrans-79.5-14.4178.1-72.7170.4000113.3I1656 A1657 P1662 L1679 Y1749 W1765 L1775 L1778 A1779 Y1782I1656-L1660 HydrophobicContact CG2-CD1 3.77Å; I1656-L1660 HydrophobicContact CG2-CG 4.36Å; I1656-L1660 WeakPolarHBondContact O-CB 3.32Å; I1656-L1660 WeakPolarHBondContact O-CG 3.48Å; I1656-L1660 PolarHBondContact O-N 2.99Å; A1657-L1660 PolarHBondContact O-N 2.9Å; L1660-P1662 WeakPolarHBondContact O-CD 3.4Å; L1660-L1679 HydrophobicContact CD1-CD1 4.11Å; L1660-L1679 HydrophobicContact CD2-CD1 3.94Å; L1660-L1679 HydrophobicContact CD2-CD2 4.15Å; L1660-L1679 HydrophobicContact CG-CD1 4.16Å; L1660-Y1749 VanDerWaalsContact C-OH 3.23Å; L1660-Y1749 WeakPolarHBondContact CA-OH 3.43Å; L1660-Y1749 PolarHBondContact O-OH 3.02Å; L1660-W1765 HydrophobicContact CD2-CH2 4.35Å; L1660-W1765 HydrophobicContact CD2-CZ2 4.08Å; L1660-W1765 VanDerWaalsContact O-CE2 3.3Å; L1660-W1765 WeakPolarHBondContact O-CZ2 3.5Å; L1660-W1765 PolarHBondContact O-NE1 3.26Å; L1660-L1775 HydrophobicContact CD2-CD1 3.99Å; L1660-L1775 HydrophobicContact CD2-CG 3.88Å; L1660-L1778 HydrophobicContact CD1-CB 4.37Å; L1660-L1778 HydrophobicContact CD1-CD2 3.96Å; L1660-L1778 HydrophobicContact CD1-CG 3.77Å; L1660-A1779 HydrophobicContact CB-CB 4.28Å; L1660-A1779 HydrophobicContact CD2-CB 4.43Å; L1660-Y1782 HydrophobicContact CD1-CD2 3.56Å; L1660-Y1782 HydrophobicContact CD1-CE2 4.27Å; L1660-Y1782 HydrophobicContact CD1-CG 4.22Å
1661D95.6Very high93.3Very high0 Ų023.8 Ų23.80%012%0.117CC..SBendtrans-77.1116.8168.8-165.6-38.1000110.6S1605 A1657 L1659 R1663 F1664 K1665 L1783S1605-D1661 WeakPolarHBondContact CB-OD2 3.22Å; S1605-D1661 PolarHBondContact OG-OD2 3.19Å; A1657-D1661 PolarHBondContact O-N 2.98Å; L1659-D1661 VanDerWaalsContact C-N 3.34Å; D1661-R1663 PolarHBondContact O-N 2.73Å; D1661-R1663 VanDerWaalsContact O-N 3.08Å; D1661-R1663 WeakPolarHBondContact OD1-CB 3.32Å; D1661-R1663 VanDerWaalsContact OD1-CG 3.3Å; D1661-R1663 WeakPolarHBondContact OD1-CG 3.41Å; D1661-R1663 IonicContact OD1-CZ 2.85Å; D1661-R1663 PolarHBondContact OD1-N 2.74Å; D1661-R1663 IonicContact OD1-NE 2.86Å; D1661-R1663 PolarHBondContact OD1-NE 2.89Å; D1661-R1663 IonicContact OD1-NH2 2.67Å; D1661-R1663 IonicContact OD2-CZ 2.85Å; D1661-R1663 IonicContact OD2-NE 3.4Å; D1661-R1663 PolarHBondContact OD2-NE 2.66Å; D1661-R1663 IonicContact OD2-NH2 3.13Å; D1661-R1663 PolarHBondContact OD2-NH2 3.38Å; D1661-F1664 HydrophobicContact CB-CD2 3.81Å; D1661-F1664 HydrophobicContact CB-CE2 4.46Å; D1661-F1664 PolarHBondContact O-N 2.87Å; D1661-F1664 VanDerWaalsContact O-N 3.08Å; D1661-F1664 WeakPolarHBondContact OD2-CE2 3.31Å; D1661-K1665 PolarHBondContact O-N 3.13Å; D1661-L1783 HydrophobicContact CB-CD2 4.18Å
1662P95.4Very high93Very high0 Ų025.2 Ų25.20%012%0.124CC..THydrogen-bonded Turntrans-65.6-14-177.3-17.231.4000113.4L1660 Y1749 P1754 I1755 W1764L1660-P1662 WeakPolarHBondContact O-CD 3.4Å; P1662-Y1749 HydrophobicContact CG-CE2 4.44Å; P1662-P1754 VanDerWaalsContact O-CA 3.28Å; P1662-P1754 WeakPolarHBondContact O-CA 3.23Å; P1662-P1754 VanDerWaalsContact O-CB 3.31Å; P1662-P1754 WeakPolarHBondContact O-CB 3.45Å; P1662-I1755 HydrophobicContact CB-CD1 3.97Å; P1662-I1755 HydrophobicContact CB-CG1 3.99Å; P1662-I1755 HydrophobicContact CB-CG2 4.26Å; P1662-I1755 HydrophobicContact CG-CD1 4.34Å; P1662-I1755 PolarHBondContact O-N 3.06Å; P1662-I1755 VanDerWaalsContact O-N 3.12Å; P1662-W1764 HydrophobicContact CB-CD2 4.14Å; P1662-W1764 HydrophobicContact CB-CE3 4.26Å; P1662-W1764 HydrophobicContact CG-CB 4.49Å; P1662-W1764 HydrophobicContact CG-CD2 3.73Å; P1662-W1764 HydrophobicContact CG-CE3 3.47Å; P1662-W1764 VanDerWaalsContact CG-CE3 3.47Å; P1662-W1764 HydrophobicContact CG-CG 4.18Å; P1662-W1764 HydrophobicContact CG-CZ3 4.01Å
1663R93.9Very high92.8Very high17 Ų1725.6 Ų25.66%0.06413%0.133CC..THydrogen-bonded Turntrans-71.4-35.9173.7-60.4175.7-68.2-178.62.3112.2I1601 T1603 D1661 I1755 L1757I1601-R1663 PolarHBondContact O-NH1 2.75Å; I1601-R1663 VanDerWaalsContact O-NH1 3.16Å; I1601-R1663 PolarHBondContact O-NH2 3.43Å; T1603-R1663 PolarHBondContact OG1-NH2 3.28Å; D1661-R1663 PolarHBondContact O-N 2.73Å; D1661-R1663 VanDerWaalsContact O-N 3.08Å; D1661-R1663 WeakPolarHBondContact OD1-CB 3.32Å; D1661-R1663 VanDerWaalsContact OD1-CG 3.3Å; D1661-R1663 WeakPolarHBondContact OD1-CG 3.41Å; D1661-R1663 IonicContact OD1-CZ 2.85Å; D1661-R1663 PolarHBondContact OD1-N 2.74Å; D1661-R1663 IonicContact OD1-NE 2.86Å; D1661-R1663 PolarHBondContact OD1-NE 2.89Å; D1661-R1663 IonicContact OD1-NH2 2.67Å; D1661-R1663 IonicContact OD2-CZ 2.85Å; D1661-R1663 IonicContact OD2-NE 3.4Å; D1661-R1663 PolarHBondContact OD2-NE 2.66Å; D1661-R1663 IonicContact OD2-NH2 3.13Å; D1661-R1663 PolarHBondContact OD2-NH2 3.38Å; R1663-I1755 HydrophobicContact CB-CG1 4.49Å; R1663-I1755 HydrophobicContact CG-CD1 3.98Å; R1663-I1755 HydrophobicContact CG-CG1 3.6Å; R1663-L1757 HydrophobicContact CB-CD2 4.42Å; R1663-L1757 VanDerWaalsContact CD-O 3.31Å; R1663-L1757 WeakPolarHBondContact CD-O 3.31Å
1664F94.8Very high92.7Very high11 Ų1129.7 Ų29.75%0.04816%0.158CC..THydrogen-bonded Turntrans-111.5-17.1-172-49.4-59.4000114M1606 P1609 S1658 D1661 S1666 Q1667 V1668 L1757M1606-F1664 HydrophobicContact CB-CE2 4.37Å; M1606-F1664 HydrophobicContact CB-CZ 4.48Å; M1606-F1664 HydrophobicContact CG-CE2 3.71Å; M1606-F1664 HydrophobicContact CG-CZ 3.87Å; P1609-F1664 HydrophobicContact CB-CD1 4Å; P1609-F1664 HydrophobicContact CB-CE1 4.2Å; P1609-F1664 HydrophobicContact CB-CG 4.31Å; P1609-F1664 HydrophobicContact CG-CB 4.02Å; P1609-F1664 HydrophobicContact CG-CD1 3.84Å; P1609-F1664 HydrophobicContact CG-CD2 3.9Å; P1609-F1664 HydrophobicContact CG-CE1 4.32Å; P1609-F1664 HydrophobicContact CG-CE2 4.39Å; P1609-F1664 HydrophobicContact CG-CG 3.62Å; S1658-F1664 WeakPolarHBondContact O-CB 3.34Å; D1661-F1664 HydrophobicContact CB-CD2 3.81Å; D1661-F1664 HydrophobicContact CB-CE2 4.46Å; D1661-F1664 PolarHBondContact O-N 2.87Å; D1661-F1664 VanDerWaalsContact O-N 3.08Å; D1661-F1664 WeakPolarHBondContact OD2-CE2 3.31Å; F1664-S1666 VanDerWaalsContact C-N 3.32Å; F1664-S1666 PolarHBondContact O-N 2.86Å; F1664-Q1667 WeakPolarHBondContact O-CB 3.39Å; F1664-Q1667 PolarHBondContact O-N 3.01Å; F1664-V1668 PolarHBondContact O-N 3.4Å; F1664-V1668 VanDerWaalsContact O-N 3.17Å; F1664-L1757 HydrophobicContact CE1-CD2 3.72Å; F1664-L1757 HydrophobicContact CZ-CD2 4.35Å
1665K94.5Very high92.5Very high1 Ų129.5 Ų29.50%0.00416%0.157CC..Hα-helixtrans-32.2-55.7179.6-175.9-173.476.4-1690115.2L1659 D1661 Q1667 V1668 Q1669 Y1749 L1750 E1752 D1753L1659-K1665 HydrophobicContact CD1-CG 4.33Å; D1661-K1665 PolarHBondContact O-N 3.13Å; K1665-Q1667 PolarHBondContact O-N 3.39Å; K1665-V1668 PolarHBondContact O-N 3.22Å; K1665-Q1669 VanDerWaalsContact O-CB 3.28Å; K1665-Q1669 WeakPolarHBondContact O-CB 3.26Å; K1665-Q1669 PolarHBondContact O-N 2.69Å; K1665-Y1749 HydrophobicContact CD-CD1 4.02Å; K1665-Y1749 HydrophobicContact CD-CD2 4.23Å; K1665-Y1749 HydrophobicContact CD-CE1 3.48Å; K1665-Y1749 VanDerWaalsContact CD-CE1 3.48Å; K1665-Y1749 HydrophobicContact CD-CE2 3.71Å; K1665-Y1749 HydrophobicContact CD-CG 4.36Å; K1665-Y1749 WeakPolarHBondContact CD-OH 3.39Å; K1665-Y1749 HydrophobicContact CG-CE1 3.78Å; K1665-Y1749 PolarHBondContact NZ-O 3.49Å; K1665-L1750 HydrophobicContact CG-CD2 4.29Å; K1665-E1752 PolarHBondContact NZ-O 3.1Å; K1665-D1753 PolarHBondContact NZ-O 3.16Å
1666S91.4Very high92.4Very high43 Ų4329.8 Ų29.830%0.30116%0.16SC..Hα-helixtrans-64.1-40.9-175.8-610000112.7F1664 V1668 Q1669 D1670F1664-S1666 VanDerWaalsContact C-N 3.32Å; F1664-S1666 PolarHBondContact O-N 2.86Å; S1666-V1668 VanDerWaalsContact C-N 3.34Å; S1666-V1668 PolarHBondContact O-N 2.72Å; S1666-Q1669 PolarHBondContact O-N 2.75Å; S1666-D1670 PolarHBondContact O-N 2.89Å; S1666-D1670 VanDerWaalsContact O-N 3.09Å
1667Q88.6Confident92.2Very high34 Ų3436.8 Ų36.816%0.15919%0.19CC..Hα-helixtrans-65.6-39.4177.2-166.6-170.33900111.1A381 F1664 K1665 K1671A381-Q1667 VanDerWaalsContact CB-NE2 3.33Å; A381-Q1667 PolarHBondContact O-NE2 2.85Å; F1664-Q1667 WeakPolarHBondContact O-CB 3.39Å; F1664-Q1667 PolarHBondContact O-N 3.01Å; K1665-Q1667 PolarHBondContact O-N 3.39Å; Q1667-K1671 HydrophobicContact CG-CD 4.25Å; Q1667-K1671 VanDerWaalsContact O-CB 3.32Å; Q1667-K1671 WeakPolarHBondContact O-CB 3.3Å; Q1667-K1671 WeakPolarHBondContact O-CG 3.41Å; Q1667-K1671 PolarHBondContact O-N 3.35Å
1668V91.5Very high92Very high2 Ų238.7 Ų38.71%0.01220%0.2CC..Hα-helixtrans-70.6-41.1177.7-177.70000111.8W1655 L1659 F1664 K1665 S1666 D1670 K1671 K1672W1655-V1668 HydrophobicContact CE3-CB 4.46Å; W1655-V1668 HydrophobicContact CE3-CG1 3.65Å; W1655-V1668 HydrophobicContact CE3-CG2 4.17Å; W1655-V1668 HydrophobicContact CZ3-CB 4.42Å; W1655-V1668 HydrophobicContact CZ3-CG1 4Å; W1655-V1668 HydrophobicContact CZ3-CG2 4.08Å; L1659-V1668 HydrophobicContact CB-CB 4.36Å; L1659-V1668 HydrophobicContact CB-CG1 3.83Å; L1659-V1668 HydrophobicContact CD1-CB 4.1Å; L1659-V1668 HydrophobicContact CD1-CG1 4.01Å; L1659-V1668 HydrophobicContact CG-CG1 4.4Å; F1664-V1668 PolarHBondContact O-N 3.4Å; F1664-V1668 VanDerWaalsContact O-N 3.17Å; K1665-V1668 PolarHBondContact O-N 3.22Å; S1666-V1668 VanDerWaalsContact C-N 3.34Å; S1666-V1668 PolarHBondContact O-N 2.72Å; V1668-D1670 VanDerWaalsContact C-N 3.31Å; V1668-D1670 PolarHBondContact O-N 3.29Å; V1668-K1671 PolarHBondContact O-N 3.38Å; V1668-K1672 CarbonylContact O-C 3.55Å; V1668-K1672 WeakPolarHBondContact O-CA 3.43Å; V1668-K1672 PolarHBondContact O-N 3.06Å
1669Q89.7Confident91.8Very high59 Ų5938.7 Ų38.728%0.27620%0.2SC..Hα-helixtrans-58.5-41.2175.7170.9169.2-8.700112.1K1665 S1666 I1676K1665-Q1669 VanDerWaalsContact O-CB 3.28Å; K1665-Q1669 WeakPolarHBondContact O-CB 3.26Å; K1665-Q1669 PolarHBondContact O-N 2.69Å; S1666-Q1669 PolarHBondContact O-N 2.75Å; Q1669-I1676 HydrophobicContact CB-CD1 4.43Å; Q1669-I1676 HydrophobicContact CG-CD1 4.1Å
1670D87.5Confident91.6Very high135 Ų13543.3 Ų43.372%0.72222%0.217SC*.Hα-helixtrans-78.6-42.8178.1-72.9-18.3000112.8S1666 V1668S1666-D1670 PolarHBondContact O-N 2.89Å; S1666-D1670 VanDerWaalsContact O-N 3.09Å; V1668-D1670 VanDerWaalsContact C-N 3.31Å; V1668-D1670 PolarHBondContact O-N 3.29Å
1671K85.8Confident91.1Very high69 Ų6948.2 Ų48.230%0.324%0.241SC..Hα-helixtrans-79.2-33.9-177.2-71.8-167.8176.5-171.90114.5A381 T1612 Q1667 V1668A381-K1671 WeakPolarHBondContact O-CE 3.27Å; A381-K1671 PolarHBondContact O-NZ 3.03Å; T1612-K1671 HydrophobicContact CG2-CD 4.29Å; T1612-K1671 VanDerWaalsContact CG2-NZ 3.33Å; Q1667-K1671 HydrophobicContact CG-CD 4.25Å; Q1667-K1671 VanDerWaalsContact O-CB 3.32Å; Q1667-K1671 WeakPolarHBondContact O-CB 3.3Å; Q1667-K1671 WeakPolarHBondContact O-CG 3.41Å; Q1667-K1671 PolarHBondContact O-N 3.35Å; V1668-K1671 PolarHBondContact O-N 3.38Å
1672K88.2Confident90.7Very high62 Ų6250.7 Ų50.727%0.2725%0.252SS..  trans-139.965.3-173.2-71.8-75.6-173.8165.60112.3Y1651 W1655 V1668 T1674 V1675Y1651-K1672 PolarHBondContact OH-NZ 2.81Å; W1655-K1672 HydrophobicContact CD2-CB 4.48Å; W1655-K1672 HydrophobicContact CD2-CG 4.07Å; W1655-K1672 HydrophobicContact CE3-CB 4.18Å; W1655-K1672 HydrophobicContact CE3-CG 4.01Å; W1655-K1672 HydrophobicContact CH2-CB 4.45Å; W1655-K1672 HydrophobicContact CH2-CG 3.56Å; W1655-K1672 HydrophobicContact CZ2-CD 4.26Å; W1655-K1672 HydrophobicContact CZ2-CG 3.62Å; W1655-K1672 HydrophobicContact CZ3-CB 4.15Å; W1655-K1672 HydrophobicContact CZ3-CG 3.75Å; V1668-K1672 CarbonylContact O-C 3.55Å; V1668-K1672 WeakPolarHBondContact O-CA 3.43Å; V1668-K1672 PolarHBondContact O-N 3.06Å; K1672-T1674 PolarHBondContact O-N 3.31Å; K1672-V1675 HydrophobicContact CB-CG2 3.74Å; K1672-V1675 WeakPolarHBondContact O-CB 3.06Å; K1672-V1675 PolarHBondContact O-N 2.66Å
1673P88.3Confident90.2Very high80 Ų8051 Ų5152%0.51925%0.254SS..Hα-helixtrans-61-1617825.2-35.5000114.4V1675 I1676P1673-V1675 VanDerWaalsContact C-N 3.26Å; P1673-V1675 PolarHBondContact O-N 2.71Å; P1673-I1676 HydrophobicContact CB-CD1 4.49Å; P1673-I1676 WeakPolarHBondContact O-CB 3.48Å; P1673-I1676 PolarHBondContact O-N 3.49Å
1674T90.9Very high89.6Confident91 Ų9154.3 Ų54.356%0.55827%0.273SS*.Hα-helixtrans-62.6-30.9170.848.10000113K1672 I1676 K1677 L1678K1672-T1674 PolarHBondContact O-N 3.31Å; T1674-I1676 PolarHBondContact O-N 3.03Å; T1674-K1677 VanDerWaalsContact O-CB 3.32Å; T1674-K1677 WeakPolarHBondContact O-CB 3.21Å; T1674-K1677 PolarHBondContact O-N 2.85Å; T1674-L1678 PolarHBondContact O-N 2.82Å
1675V92Very high88.7Confident1 Ų155.7 Ų55.71%0.00629%0.286CS..Hα-helixtrans-66.3-28.7178.8179.50000111W1655 I1656 L1659 K1672 P1673 K1677 L1678 L1679W1655-V1675 HydrophobicContact CB-CB 4.49Å; W1655-V1675 HydrophobicContact CB-CG1 3.94Å; W1655-V1675 HydrophobicContact CB-CG2 3.66Å; W1655-V1675 HydrophobicContact CD2-CG2 4.37Å; W1655-V1675 HydrophobicContact CG-CG2 4Å; I1656-V1675 HydrophobicContact CG1-CG1 3.88Å; L1659-V1675 HydrophobicContact CB-CG1 4.21Å; L1659-V1675 HydrophobicContact CD2-CB 4.36Å; L1659-V1675 HydrophobicContact CD2-CG1 3.82Å; K1672-V1675 HydrophobicContact CB-CG2 3.74Å; K1672-V1675 WeakPolarHBondContact O-CB 3.06Å; K1672-V1675 PolarHBondContact O-N 2.66Å; P1673-V1675 VanDerWaalsContact C-N 3.26Å; P1673-V1675 PolarHBondContact O-N 2.71Å; V1675-K1677 PolarHBondContact O-N 3.25Å; V1675-L1678 PolarHBondContact O-N 3.41Å; V1675-L1679 WeakPolarHBondContact O-CB 3.48Å; V1675-L1679 PolarHBondContact O-N 2.89Å
1676I93.6Very high87.6Confident20 Ų2055.9 Ų55.910%0.10329%0.287CS..Hα-helixtrans-63.4-32.8172.8-60.1164.3000111L1659 Q1669 P1673 T1674 R1680 V1746 L1750L1659-I1676 HydrophobicContact CD2-CG1 3.85Å; Q1669-I1676 HydrophobicContact CB-CD1 4.43Å; Q1669-I1676 HydrophobicContact CG-CD1 4.1Å; P1673-I1676 HydrophobicContact CB-CD1 4.49Å; P1673-I1676 WeakPolarHBondContact O-CB 3.48Å; P1673-I1676 PolarHBondContact O-N 3.49Å; T1674-I1676 PolarHBondContact O-N 3.03Å; I1676-R1680 WeakPolarHBondContact O-CB 3.29Å; I1676-R1680 WeakPolarHBondContact O-CG 3.35Å; I1676-R1680 PolarHBondContact O-N 3Å; I1676-V1746 HydrophobicContact CG2-CG1 4.21Å; I1676-L1750 HydrophobicContact CD1-CD1 3.97Å; I1676-L1750 HydrophobicContact CD1-CD2 4.45Å; I1676-L1750 HydrophobicContact CG1-CD1 4.08Å; I1676-L1750 HydrophobicContact CG1-CD2 4.45Å; I1676-L1750 HydrophobicContact CG2-CD1 3.65Å
1677K91.2Very high86.3Confident146 Ų14658.7 Ų58.764%0.63529%0.294SS*.Hα-helixtrans-69.2-43.7174.3-168.4-171.3174.5-1690111T1674 V1675 R1680 M1681T1674-K1677 VanDerWaalsContact O-CB 3.32Å; T1674-K1677 WeakPolarHBondContact O-CB 3.21Å; T1674-K1677 PolarHBondContact O-N 2.85Å; V1675-K1677 PolarHBondContact O-N 3.25Å; K1677-R1680 PolarHBondContact O-N 3.06Å; K1677-M1681 HydrophobicContact CD-SD 4.47Å; K1677-M1681 HydrophobicContact CG-SD 4.15Å; K1677-M1681 VanDerWaalsContact O-CG 3.3Å; K1677-M1681 WeakPolarHBondContact O-CG 3.3Å; K1677-M1681 PolarHBondContact O-N 2.86Å
1678L90.6Very high84.5Confident41 Ų4162.5 Ų62.522%0.21532%0.32CS..Hα-helixtrans-63.1-42.9175.6-63.8173.9000111.7E1652 I1656 T1674 V1675 M1681 K1682E1652-L1678 HydrophobicContact CB-CD1 4.43Å; E1652-L1678 HydrophobicContact CG-CD1 3.83Å; I1656-L1678 HydrophobicContact CD1-CB 4.05Å; T1674-L1678 PolarHBondContact O-N 2.82Å; V1675-L1678 PolarHBondContact O-N 3.41Å; L1678-M1681 PolarHBondContact O-N 2.79Å; L1678-K1682 PolarHBondContact O-N 2.72Å
1679L93.1Very high82.2Confident0 Ų067.1 Ų67.10%034%0.342CS..Hα-helixtrans-59.3-47.2174.717557.9000111.6I1656 L1659 L1660 V1675 K1682 V1683 V1746 L1775 L1778I1656-L1679 HydrophobicContact CG2-CD1 4.22Å; L1659-L1679 HydrophobicContact CD2-CB 4.16Å; L1659-L1679 HydrophobicContact CD2-CD2 3.6Å; L1659-L1679 HydrophobicContact CG-CD2 4.06Å; L1660-L1679 HydrophobicContact CD1-CD1 4.11Å; L1660-L1679 HydrophobicContact CD2-CD1 3.94Å; L1660-L1679 HydrophobicContact CD2-CD2 4.15Å; L1660-L1679 HydrophobicContact CG-CD1 4.16Å; V1675-L1679 WeakPolarHBondContact O-CB 3.48Å; V1675-L1679 PolarHBondContact O-N 2.89Å; L1679-K1682 PolarHBondContact O-N 3.48Å; L1679-V1683 HydrophobicContact CD1-CG2 4.33Å; L1679-V1683 WeakPolarHBondContact O-CG2 3.1Å; L1679-V1683 PolarHBondContact O-N 3.33Å; L1679-V1746 HydrophobicContact CD2-CG1 3.95Å; L1679-V1746 HydrophobicContact CD2-CG2 4.44Å; L1679-V1746 HydrophobicContact CG-CG1 4.34Å; L1679-V1746 HydrophobicContact CG-CG2 4.2Å; L1679-L1775 HydrophobicContact CD1-CD1 3.91Å; L1679-L1775 HydrophobicContact CD2-CD1 4.43Å; L1679-L1775 HydrophobicContact CG-CD1 4.36Å; L1679-L1778 HydrophobicContact CD1-CD2 3.4Å
1680R91.7Very high79.3Confident98 Ų9866.1 Ų66.137%0.3734%0.341SS..Hα-helixtrans-58.8-48.7172.9-75.4177.2-177.6156.7-1.2111.2I1676 K1677 K1682 V1683 D1684 V1746 D1747I1676-R1680 WeakPolarHBondContact O-CB 3.29Å; I1676-R1680 WeakPolarHBondContact O-CG 3.35Å; I1676-R1680 PolarHBondContact O-N 3Å; K1677-R1680 PolarHBondContact O-N 3.06Å; R1680-K1682 VanDerWaalsContact C-N 3.3Å; R1680-K1682 PolarHBondContact O-N 3.43Å; R1680-V1683 CarbonylContact O-C 3.58Å; R1680-V1683 PolarHBondContact O-N 2.99Å; R1680-D1684 WeakPolarHBondContact O-CB 3.21Å; R1680-D1684 PolarHBondContact O-N 2.91Å; R1680-D1684 VanDerWaalsContact O-OD2 3.13Å; R1680-V1746 HydrophobicContact CG-CB 4.28Å; R1680-V1746 HydrophobicContact CG-CG1 4.16Å; R1680-V1746 HydrophobicContact CG-CG2 4.14Å; R1680-D1747 IonicContact CZ-OD1 2.89Å; R1680-D1747 IonicContact NE-OD1 2.66Å; R1680-D1747 IonicContact NH2-OD1 2.69Å; R1680-D1747 PolarHBondContact NH2-OD1 3.05Å; R1680-D1747 IonicContact NH2-OD2 3.24Å
1681M85.8Confident76.5Confident102 Ų10264.2 Ų64.250%0.50234%0.336SS..Hα-helixtrans-57.3-38.3177.9-73167.85700113.2K1677 L1678 A1685K1677-M1681 HydrophobicContact CD-SD 4.47Å; K1677-M1681 HydrophobicContact CG-SD 4.15Å; K1677-M1681 VanDerWaalsContact O-CG 3.3Å; K1677-M1681 WeakPolarHBondContact O-CG 3.3Å; K1677-M1681 PolarHBondContact O-N 2.86Å; L1678-M1681 PolarHBondContact O-N 2.79Å; M1681-A1685 WeakPolarHBondContact O-CB 3.36Å; M1681-A1685 PolarHBondContact O-N 3.02Å
1682K85.6Confident73.7Confident52 Ų5266.9 Ų66.923%0.22636%0.358CS..Hα-helixtrans-68.6-40.1174.1-70.2-155.4176.3-1620112.7I1656 L1678 L1679 R1680 A1685 M1686 L1778 Y1782I1656-K1682 HydrophobicContact CD1-CD 4.11Å; L1678-K1682 PolarHBondContact O-N 2.72Å; L1679-K1682 PolarHBondContact O-N 3.48Å; R1680-K1682 VanDerWaalsContact C-N 3.3Å; R1680-K1682 PolarHBondContact O-N 3.43Å; K1682-A1685 PolarHBondContact O-N 3.28Å; K1682-M1686 WeakPolarHBondContact O-CG 3.44Å; K1682-M1686 PolarHBondContact O-N 2.92Å; K1682-L1778 HydrophobicContact CB-CD2 4.45Å; K1682-Y1782 PolarHBondContact NZ-OH 3.08Å
1683V85.4Confident70.9Confident8 Ų868.5 Ų68.55%0.04838%0.377CS..Hα-helixtrans-66.4-43.4174.6170.60000111.3L1679 R1680 A1685 M1686 F1687 V1746 L1775 L1778L1679-V1683 HydrophobicContact CD1-CG2 4.33Å; L1679-V1683 WeakPolarHBondContact O-CG2 3.1Å; L1679-V1683 PolarHBondContact O-N 3.33Å; R1680-V1683 CarbonylContact O-C 3.58Å; R1680-V1683 PolarHBondContact O-N 2.99Å; V1683-A1685 VanDerWaalsContact C-N 3.29Å; V1683-A1685 PolarHBondContact O-N 2.84Å; V1683-M1686 WeakPolarHBondContact O-CB 3.16Å; V1683-M1686 PolarHBondContact O-N 2.82Å; V1683-F1687 HydrophobicContact CG1-CD2 4.33Å; V1683-F1687 HydrophobicContact CG1-CE2 3.77Å; V1683-F1687 VanDerWaalsContact O-CD2 3.23Å; V1683-F1687 WeakPolarHBondContact O-CD2 3.36Å; V1683-F1687 PolarHBondContact O-N 3.45Å; V1683-V1746 HydrophobicContact CG2-CG2 4.16Å; V1683-L1775 HydrophobicContact CG2-CD1 3.61Å; V1683-L1778 HydrophobicContact CG2-CD2 3.97Å
1684D81.6Confident68Low86 Ų8672.8 Ų72.846%0.4640%0.396SS..Hα-helixtrans-62.6-36.9177.1-63.6-30.5000110.8R1680 M1686 F1687 T1688R1680-D1684 WeakPolarHBondContact O-CB 3.21Å; R1680-D1684 PolarHBondContact O-N 2.91Å; R1680-D1684 VanDerWaalsContact O-OD2 3.13Å; D1684-M1686 VanDerWaalsContact C-N 3.32Å; D1684-M1686 PolarHBondContact O-N 2.77Å; D1684-F1687 WeakPolarHBondContact O-CA 3.41Å; D1684-F1687 WeakPolarHBondContact O-CB 3.35Å; D1684-F1687 PolarHBondContact O-N 3.29Å; D1684-T1688 PolarHBondContact O-N 2.91Å; D1684-T1688 PolarHBondContact O-OG1 2.97Å
1685A75.8Confident65.2Low40 Ų4074.2 Ų74.233%0.33140%0.404SS..Hα-helixtrans-64.7-30172.900000113.7M1681 K1682 V1683 F1687M1681-A1685 WeakPolarHBondContact O-CB 3.36Å; M1681-A1685 PolarHBondContact O-N 3.02Å; K1682-A1685 PolarHBondContact O-N 3.28Å; V1683-A1685 VanDerWaalsContact C-N 3.29Å; V1683-A1685 PolarHBondContact O-N 2.84Å; A1685-F1687 PolarHBondContact O-N 2.92Å
1686M70.6Confident62Low4 Ų478.3 Ų78.32%0.0243%0.432CS..Hα-helixtrans-65.2-29.8170.8-58.9179.381.100111.5K1440 V1441 W1444 K1682 V1683 D1684 N1774 L1777K1440-M1686 WeakPolarHBondContact CD-O 3.25Å; K1440-M1686 PolarHBondContact NZ-O 3.02Å; V1441-M1686 HydrophobicContact CG2-CE 4.21Å; W1444-M1686 HydrophobicContact CH2-CE 3.63Å; W1444-M1686 HydrophobicContact CH2-CG 4.32Å; W1444-M1686 HydrophobicContact CH2-SD 3.69Å; W1444-M1686 HydrophobicContact CZ2-CE 3.97Å; W1444-M1686 HydrophobicContact CZ2-CG 3.75Å; W1444-M1686 HydrophobicContact CZ2-SD 3.72Å; K1682-M1686 WeakPolarHBondContact O-CG 3.44Å; K1682-M1686 PolarHBondContact O-N 2.92Å; V1683-M1686 WeakPolarHBondContact O-CB 3.16Å; V1683-M1686 PolarHBondContact O-N 2.82Å; D1684-M1686 VanDerWaalsContact C-N 3.32Å; D1684-M1686 PolarHBondContact O-N 2.77Å; M1686-N1774 HydrophobicContact SD-CB 4.43Å; M1686-L1777 HydrophobicContact CE-CB 4.37Å; M1686-L1777 HydrophobicContact CE-CD1 4.08Å
1687F64.7Low58.9Low102 Ų10285.7 Ų85.745%0.44747%0.472SS..Hα-helixtrans-82.3-52.4175.3-65.4-68.1000112.5V1683 D1684 A1685 Q1689 S1690 N1774V1683-F1687 HydrophobicContact CG1-CD2 4.33Å; V1683-F1687 HydrophobicContact CG1-CE2 3.77Å; V1683-F1687 VanDerWaalsContact O-CD2 3.23Å; V1683-F1687 WeakPolarHBondContact O-CD2 3.36Å; V1683-F1687 PolarHBondContact O-N 3.45Å; D1684-F1687 WeakPolarHBondContact O-CA 3.41Å; D1684-F1687 WeakPolarHBondContact O-CB 3.35Å; D1684-F1687 PolarHBondContact O-N 3.29Å; A1685-F1687 PolarHBondContact O-N 2.92Å; F1687-Q1689 PolarHBondContact O-N 3.4Å; F1687-S1690 PolarHBondContact O-N 2.88Å; F1687-S1690 PolarHBondContact O-OG 3.48Å; F1687-S1690 VanDerWaalsContact O-OG 3.11Å; F1687-N1774 WeakPolarHBondContact CZ-ND2 3.35Å
1688T50.4Low56Low114 Ų11484.9 Ų84.970%0.69947%0.474SS*.Hα-helixtrans-65.4-16.3-168.353.60000115.5D1684D1684-T1688 PolarHBondContact O-N 2.91Å; D1684-T1688 PolarHBondContact O-OG1 2.97Å
1689Q43.6Very low53Low100 Ų10089.3 Ų89.347%0.46750%0.503SS..THydrogen-bonded Turntrans-89.218.8170.7-63.1-165.725.100114.7K1440 Q1443 F1687K1440-Q1689 HydrophobicContact CD-CB 4.18Å; K1440-Q1689 VanDerWaalsContact CE-O 3.24Å; K1440-Q1689 WeakPolarHBondContact CE-O 3.25Å; K1440-Q1689 VanDerWaalsContact NZ-C 3.32Å; K1440-Q1689 PolarHBondContact NZ-O 2.87Å; Q1443-Q1689 VanDerWaalsContact OE1-OE1 3.09Å; F1687-Q1689 PolarHBondContact O-N 3.4Å
1690S28.6Very low50Low38 Ų3895.1 Ų95.127%0.26654%0.541SS..SBendtrans-78.1131.8163.356.60000109.8K1440 F1687 T1692K1440-S1690 VanDerWaalsContact NZ-N 3.2Å; F1687-S1690 PolarHBondContact O-N 2.88Å; F1687-S1690 PolarHBondContact O-OG 3.48Å; F1687-S1690 VanDerWaalsContact O-OG 3.11Å; S1690-T1692 PolarHBondContact O-N 2.88Å
1691P29.7Very low46.7Very low94 Ų9499.9 Ų99.961%0.6156%0.564SS**  trans-74.470.2-179.930.8-35.9000112.3S1693P1691-S1693 PolarHBondContact O-N 3.43Å
1692T25.8Very low44.1Very low126 Ų126100.4 Ų100.477%0.77358%0.578SS**  trans-92.348.1169.251.30000110.8S1690S1690-T1692 PolarHBondContact O-N 2.88Å
1693S30.6Very low41.2Very low96 Ų96104.8 Ų104.867%0.67160%0.604SS**  trans-120.729.5174.7640000112.3P1691 V1695P1691-S1693 PolarHBondContact O-N 3.43Å; S1693-V1695 PolarHBondContact O-N 3.28Å
1694N26.7Very low38.6Very low169 Ų169109.7 Ų109.790%0.90464%0.638SS**  trans-72.871.1160.5-86.9-4.1000109.6
1695V31.4Very low36Very low121 Ų121112.6 Ų112.673%0.73365%0.654SS**  trans-122.198.8170.4179.30000108.2S1693S1693-V1695 PolarHBondContact O-N 3.28Å
1696C25.5Very low33.9Very low87 Ų87117.6 Ų117.659%0.58868%0.675SS**  trans51.692.8155.3-62.50000118.2N1698C1696-N1698 WeakPolarHBondContact CB-OD1 3.49Å; C1696-N1698 PolarHBondContact SG-OD1 3.29Å
1697N28.8Very low32.1Very low176 Ų176126 Ų12694%0.94171%0.714SS**  -92.7127.3116.8-99.3-21.8000107.4
1698N29.6Very low30.4Very low128 Ų128128.7 Ų128.768%0.68473%0.732SS**  trans-93.9124.4-171.6-66.1-42.8000111.5C1696C1696-N1698 WeakPolarHBondContact CB-OD1 3.49Å; C1696-N1698 PolarHBondContact SG-OD1 3.29Å
1699T28.1Very low29.4Very low135 Ų135128.6 Ų128.683%0.82873%0.734SS**  trans-120.5121.7146.3420000108.1
1700P29.1Very low28.8Very low121 Ų121130.7 Ų130.779%0.78675%0.753SS**  trans-67.7143.9-177.8-19.432000111.6S1702P1700-S1702 PolarHBondContact O-N 2.93Å; P1700-S1702 VanDerWaalsContact O-N 3.16Å
1701K24.2Very low28.7Very low199 Ų199137.4 Ų137.487%0.86578%0.78SS**  trans-67.8108.3156.5-73.4-174.9175.5-176.30107.9
1702S29.6Very low28.7Very low112 Ų112139.1 Ų139.178%0.78379%0.79SS**  trans-70.7141.1159.743.80000109.2P1700P1700-S1702 PolarHBondContact O-N 2.93Å; P1700-S1702 VanDerWaalsContact O-N 3.16Å
1703N26.2Very low28.8Very low145 Ų145139 Ų13978%0.77579%0.788SS**  trans-76.8137.6178.7-61.4-23.3000110.5
1704S31Very low28.6Very low110 Ų110140.1 Ų140.177%0.76979%0.792SS**  trans-142.690.3145.847.70000109.1N1706S1704-N1706 PolarHBondContact O-N 3.31Å
1705D25.3Very low28.5Very low147 Ų147137 Ų13779%0.78678%0.783SS**  trans-57123.6163.2-64-79.6000109
1706N32.9Very low28.3Very low146 Ų146136.9 Ų136.978%0.78179%0.788SS**  trans-153.1104.5160.5-106.3-42.7000113S1704S1704-N1706 PolarHBondContact O-N 3.31Å
1707H33.3Very low28.7Very low181 Ų181138.9 Ų138.984%0.83880%0.797SS**  trans71136.6154.6-99.6-96000122.3
1708L27.1Very low28.7Very low157 Ų157136.4 Ų136.482%0.82278%0.784SS**  trans-75.3166.1172.7-108.466.9000112.1
1709P31.3Very low28.6Very low113 Ų113135.7 Ų135.773%0.73479%0.789SS**  trans-92.6178.1-163.538.6-38.5000114.3
1710T30.2Very low28.7Very low144 Ų144134.8 Ų134.888%0.88378%0.783SS**  trans-143.9138.9155.3-56.30000109.1
1711E26.5Very low28.8Very low178 Ų178135.5 Ų135.583%0.83279%0.785SS**  trans-94.2145.5-174.3-52.6171.4138.200112
1712T30.5Very low29.3Very low131 Ų131132.5 Ų132.580%0.80478%0.777SS**  trans-160.4125.8135.58.50000112.4
1713T26.3Very low29.6Very low122 Ų122131.7 Ų131.775%0.74877%0.772SS**  trans20133.6141.7580000119.5
1714T26.8Very low30Very low121 Ų121130.5 Ų130.574%0.74277%0.765SS**  cis-150.4156.638.449.40000115.4
1715S24.9Very low30.4Very low103 Ų103134.3 Ų134.372%0.7277%0.768SS**  trans53.6109147.362.40000120.8
1716S27.9Very low31.2Very low119 Ų119131.7 Ų131.783%0.83275%0.751SS**  -177.6163.2109.340.70000113.3
1717V32.5Very low32.2Very low129 Ų129127.4 Ų127.478%0.78273%0.732SS**  trans-25.1124.4161.7-175.20000112.2
1718D28.4Very low33.4Very low123 Ų123121.4 Ų121.466%0.65872%0.72SS**  -168.7158.176.7-145.9-28.6000113.6T1720D1718-T1720 PolarHBondContact OD1-N 3.48Å
1719S29.1Very low35Very low114 Ų114118.7 Ų118.780%0.79771%0.706SS**  trans-176.178.3158.7-84.40000109.4T1721S1719-T1721 PolarHBondContact O-N 3.4Å
1720T29.5Very low36.1Very low115 Ų115115.9 Ų115.971%0.70668%0.683SS**  trans-55.7120.1171.342.80000110.6D1718 I1722D1718-T1720 PolarHBondContact OD1-N 3.48Å; T1720-I1722 VanDerWaalsContact C-N 3.29Å; T1720-I1722 PolarHBondContact O-N 3Å
1721T31.9Very low37.7Very low136 Ų136114.3 Ų114.383%0.83467%0.673SS**  trans-71.986.6176.651.60000110.3S1719 S1723S1719-T1721 PolarHBondContact O-N 3.4Å; T1721-S1723 VanDerWaalsContact C-N 3.3Å; T1721-S1723 PolarHBondContact O-N 2.99Å
1722I34.9Very low39.5Very low136 Ų136111.3 Ų111.370%0.69767%0.666SS**  trans-53.2103.8150.4-62.4176.1000105.4T1720 N1724T1720-I1722 VanDerWaalsContact C-N 3.29Å; T1720-I1722 PolarHBondContact O-N 3Å; I1722-N1724 PolarHBondContact O-N 3.36Å
1723S35.3Very low40.9Very low95 Ų95110 Ų11066%0.66465%0.65SS**  trans-74.385-178.766.80000108.4T1721 K1725T1721-S1723 VanDerWaalsContact C-N 3.3Å; T1721-S1723 PolarHBondContact O-N 2.99Å; S1723-K1725 PolarHBondContact O-N 3.04Å
1724N34.4Very low41.6Very low120 Ų120105.6 Ų105.664%0.64263%0.628SS**  trans-64.369.1169.2-81.6-14.7000110I1722 H1726I1722-N1724 PolarHBondContact O-N 3.36Å; N1724-H1726 PolarHBondContact O-N 3.19Å
1725K40Very low42.6Very low191 Ų191105.6 Ų105.683%0.8362%0.623SS**  trans-73.355.5155.6-74.8-174175.4176.80109.1S1723 S1727S1723-K1725 PolarHBondContact O-N 3.04Å; K1725-S1727 PolarHBondContact O-N 3.44Å
1726H41.4Very low43.7Very low91 Ų91108.4 Ų108.442%0.42163%0.63SS.*  trans-46.9127.5142.2-78-58.6000106.4N1724 G1728 E1730N1724-H1726 PolarHBondContact O-N 3.19Å; H1726-G1728 PolarHBondContact O-N 2.94Å; H1726-E1730 WeakPolarHBondContact CA-OE2 3.37Å; H1726-E1730 HydrophobicContact CB-CB 4.39Å; H1726-E1730 IonicContact CE1-OE2 3.81Å; H1726-E1730 IonicContact CG-OE2 2.69Å; H1726-E1730 IonicContact ND1-OE1 3.02Å; H1726-E1730 IonicContact ND1-OE2 3.19Å; H1726-E1730 PolarHBondContact ND1-OE2 3.38Å
1727S53.2Low44.3Very low56 Ų56111.1 Ų111.139%0.39262%0.623SS.*  trans-60.8145.3177.473.20000108.1K1725 L1729 E1730 T1731K1725-S1727 PolarHBondContact O-N 3.44Å; S1727-L1729 PolarHBondContact O-N 3.04Å; S1727-E1730 WeakPolarHBondContact O-CA 3.44Å; S1727-E1730 VanDerWaalsContact O-CB 3.29Å; S1727-E1730 WeakPolarHBondContact O-CB 3.49Å; S1727-E1730 PolarHBondContact O-N 3.38Å; S1727-T1731 PolarHBondContact O-N 2.84Å
1728G58.6Low44.8Very low56 Ų56109.3 Ų109.358%0.57761%0.605SS**Hα-helixtrans-55.9-23.4-177.900000113.6H1726 V1732H1726-G1728 PolarHBondContact O-N 2.94Å; G1728-V1732 WeakPolarHBondContact O-CB 3.48Å; G1728-V1732 WeakPolarHBondContact O-CG2 3.37Å; G1728-V1732 PolarHBondContact O-N 3.07Å
1729L60.7Low45.4Very low100 Ų100107.9 Ų107.952%0.52460%0.602SS.*Hα-helixtrans-64.4-41.2170.8-58.3171.4000112.4S1727 T1731 V1732 F1733 F1738S1727-L1729 PolarHBondContact O-N 3.04Å; L1729-T1731 VanDerWaalsContact C-N 3.31Å; L1729-T1731 PolarHBondContact O-N 3.43Å; L1729-V1732 PolarHBondContact O-N 3.47Å; L1729-F1733 HydrophobicContact CB-CD2 4.26Å; L1729-F1733 HydrophobicContact CD2-CD2 4.45Å; L1729-F1733 HydrophobicContact CD2-CE2 4.02Å; L1729-F1733 WeakPolarHBondContact O-CB 3.31Å; L1729-F1733 VanDerWaalsContact O-CD2 3.27Å; L1729-F1733 WeakPolarHBondContact O-CD2 3.32Å; L1729-F1733 PolarHBondContact O-N 2.85Å; L1729-F1738 HydrophobicContact CB-CE2 4.01Å; L1729-F1738 HydrophobicContact CB-CZ 3.76Å; L1729-F1738 HydrophobicContact CD1-CZ 4.49Å
1730E54.5Low46.1Very low54 Ų54113.5 Ų113.525%0.25261%0.606SS.*Hα-helixtrans-67.4-32.6-179.4-161.5169.9-155.200111.6H1726 S1727 G1734 L1735 F1738H1726-E1730 WeakPolarHBondContact CA-OE2 3.37Å; H1726-E1730 HydrophobicContact CB-CB 4.39Å; H1726-E1730 IonicContact CE1-OE2 3.81Å; H1726-E1730 IonicContact CG-OE2 2.69Å; H1726-E1730 IonicContact ND1-OE1 3.02Å; H1726-E1730 IonicContact ND1-OE2 3.19Å; H1726-E1730 PolarHBondContact ND1-OE2 3.38Å; S1727-E1730 WeakPolarHBondContact O-CA 3.44Å; S1727-E1730 VanDerWaalsContact O-CB 3.29Å; S1727-E1730 WeakPolarHBondContact O-CB 3.49Å; S1727-E1730 PolarHBondContact O-N 3.38Å; E1730-G1734 CarbonylContact O-C 3.59Å; E1730-G1734 WeakPolarHBondContact O-CA 3.38Å; E1730-G1734 PolarHBondContact O-N 3.02Å; E1730-L1735 HydrophobicContact CG-CD2 4.2Å; E1730-L1735 WeakPolarHBondContact OE1-CD2 3.32Å; E1730-F1738 HydrophobicContact CB-CE2 4.32Å
1731T65.3Low47.1Very low110 Ų110110.9 Ų110.968%0.67559%0.59SS**Hα-helixtrans-73.5-41169.7-44.20000112.6S1727 L1729S1727-T1731 PolarHBondContact O-N 2.84Å; L1729-T1731 VanDerWaalsContact C-N 3.31Å; L1729-T1731 PolarHBondContact O-N 3.43Å
1732V62.9Low48.1Very low115 Ų115110.1 Ų110.170%0.69759%0.59SS**Hα-helixtrans-72.2-35.9-177.7163.30000112.9G1728 L1729G1728-V1732 WeakPolarHBondContact O-CB 3.48Å; G1728-V1732 WeakPolarHBondContact O-CG2 3.37Å; G1728-V1732 PolarHBondContact O-N 3.07Å; L1729-V1732 PolarHBondContact O-N 3.47Å
1733F59.6Low49.3Very low105 Ų105106.5 Ų106.546%0.46157%0.572SS.*Hα-helixtrans-102.3-23-177.2-69.8-73.2000113.2L1729 Y1737 F1738L1729-F1733 HydrophobicContact CB-CD2 4.26Å; L1729-F1733 HydrophobicContact CD2-CD2 4.45Å; L1729-F1733 HydrophobicContact CD2-CE2 4.02Å; L1729-F1733 WeakPolarHBondContact O-CB 3.31Å; L1729-F1733 VanDerWaalsContact O-CD2 3.27Å; L1729-F1733 WeakPolarHBondContact O-CD2 3.32Å; L1729-F1733 PolarHBondContact O-N 2.85Å; F1733-Y1737 HydrophobicContact CB-CG 4.16Å; F1733-Y1737 HydrophobicContact CD1-CD1 4.13Å; F1733-Y1737 HydrophobicContact CD1-CE1 4.49Å; F1733-Y1737 HydrophobicContact CD1-CG 4.2Å; F1733-Y1737 WeakPolarHBondContact O-CB 3.33Å; F1733-F1738 HydrophobicContact CB-CE2 4.49Å
1734G41.9Very low51.7Low28 Ų28104.3 Ų104.329%0.28956%0.557SS.*  trans77.4159.4-174.100000113.3E1730 N1736 Y1737E1730-G1734 CarbonylContact O-C 3.59Å; E1730-G1734 WeakPolarHBondContact O-CA 3.38Å; E1730-G1734 PolarHBondContact O-N 3.02Å; G1734-N1736 PolarHBondContact O-N 3.32Å; G1734-Y1737 PolarHBondContact O-N 3.03Å; G1734-Y1737 VanDerWaalsContact O-N 3.07Å
1735L48.1Very low54.4Low122 Ų12299.7 Ų99.764%0.63953%0.531SS*.THydrogen-bonded Turntrans-56.1-21.1178.9-69.8166.1000113.7E1730 F1738E1730-L1735 HydrophobicContact CG-CD2 4.2Å; E1730-L1735 WeakPolarHBondContact OE1-CD2 3.32Å; L1735-F1738 VanDerWaalsContact O-O 3.13Å
1736N47.5Very low57Low162 Ų16290.6 Ų90.687%0.86649%0.492SS*.THydrogen-bonded Turntrans-81-19.4-179.5-64.8-11.9000114.1G1734G1734-N1736 PolarHBondContact O-N 3.32Å
1737Y41.7Very low59.4Low175 Ų17587.9 Ų87.969%0.68648%0.481SS*.THydrogen-bonded Turntrans-94.8-16.8179.4-117.9-85.9000113.5F1733 G1734 P1739F1733-Y1737 HydrophobicContact CB-CG 4.16Å; F1733-Y1737 HydrophobicContact CD1-CD1 4.13Å; F1733-Y1737 HydrophobicContact CD1-CE1 4.49Å; F1733-Y1737 HydrophobicContact CD1-CG 4.2Å; F1733-Y1737 WeakPolarHBondContact O-CB 3.33Å; G1734-Y1737 PolarHBondContact O-N 3.03Å; G1734-Y1737 VanDerWaalsContact O-N 3.07Å; Y1737-P1739 WeakPolarHBondContact O-CD 3.21Å
1738F43.2Very low61.2Low91 Ų9188.6 Ų88.640%0.39948%0.475SS..SBendtrans-89.789.9159.4-74.9-87.6000107.5L1729 E1730 F1733 L1735 R1740L1729-F1738 HydrophobicContact CB-CE2 4.01Å; L1729-F1738 HydrophobicContact CB-CZ 3.76Å; L1729-F1738 HydrophobicContact CD1-CZ 4.49Å; E1730-F1738 HydrophobicContact CB-CE2 4.32Å; F1733-F1738 HydrophobicContact CB-CE2 4.49Å; L1735-F1738 VanDerWaalsContact O-O 3.13Å; F1738-R1740 PolarHBondContact O-N 2.97Å
1739P40.8Very low63Low93 Ų9385.9 Ų85.960%0.60445%0.447SS*.  trans-59.8107.6164.526.8-32.9000107.3Y1737 T1741Y1737-P1739 WeakPolarHBondContact O-CD 3.21Å; P1739-T1741 VanDerWaalsContact C-N 3.34Å; P1739-T1741 WeakPolarHBondContact O-CA 3.46Å; P1739-T1741 PolarHBondContact O-N 3.04Å
1740R44Very low64.6Low232 Ų23282.2 Ų82.288%0.87543%0.428SS*.SBendtrans-39.8111.8143.1-77.8-176.3173.9-169.6-1.9104F1738 S1742F1738-R1740 PolarHBondContact O-N 2.97Å; R1740-S1742 PolarHBondContact O-N 3.44Å
1741T49.4Very low66.4Low61 Ų6187.1 Ų87.137%0.37444%0.444SS..  trans-48.2136.6-150.354.30000111.4P1739 L1743 R1748P1739-T1741 VanDerWaalsContact C-N 3.34Å; P1739-T1741 WeakPolarHBondContact O-CA 3.46Å; P1739-T1741 PolarHBondContact O-N 3.04Å; T1741-L1743 CarbonylContact O-C 3.42Å; T1741-L1743 PolarHBondContact O-N 3.45Å; T1741-L1743 PolarHBondContact OG1-O 2.68Å; T1741-R1748 PolarHBondContact OG1-NE 3.43Å
1742S52.2Low67.8Low119 Ų11984.4 Ų84.483%0.83242%0.424SS*.SBendtrans-6614.4177.365.40000114.1R1740R1740-S1742 PolarHBondContact O-N 3.44Å
1743L61.5Low69.2Low61 Ų6185.4 Ų85.432%0.31943%0.425SS..SBendtrans-119.5130.2177.7-61.4173.1000105.4T1741 D1747T1741-L1743 CarbonylContact O-C 3.42Å; T1741-L1743 PolarHBondContact O-N 3.45Å; T1741-L1743 PolarHBondContact OG1-O 2.68Å; L1743-D1747 HydrophobicContact CB-CB 3.8Å; L1743-D1747 HydrophobicContact CD2-CB 4.41Å
1744S85.6Confident70.8Confident49 Ų4983.5 Ų83.534%0.34342%0.423SS..  trans-58.1167.2177.566.20000112.3V1746 D1747 R1748S1744-V1746 PolarHBondContact O-N 2.67Å; S1744-D1747 WeakPolarHBondContact CB-OD2 3.43Å; S1744-D1747 PolarHBondContact N-OD2 2.87Å; S1744-D1747 VanDerWaalsContact N-OD2 3.12Å; S1744-D1747 PolarHBondContact O-N 3.03Å; S1744-D1747 PolarHBondContact OG-N 3.4Å; S1744-D1747 PolarHBondContact OG-OD2 3.29Å; S1744-R1748 PolarHBondContact O-N 3.37Å
1745E91.2Very high73.3Confident22 Ų2283 Ų8310%0.10341%0.414CS..Hα-helixtrans-52.8-43.4169.9-76.3-178.3-134.900111.4D1747 R1748 Y1749 Y1772 P1773 N1774 L1775E1745-D1747 VanDerWaalsContact C-N 3.34Å; E1745-D1747 PolarHBondContact O-N 3.02Å; E1745-R1748 PolarHBondContact O-N 2.86Å; E1745-Y1749 WeakPolarHBondContact O-CB 3.2Å; E1745-Y1749 PolarHBondContact O-N 3Å; E1745-Y1772 HydrophobicContact CB-CD1 4.15Å; E1745-Y1772 HydrophobicContact CG-CD1 4.44Å; E1745-Y1772 WeakPolarHBondContact O-CE1 3.25Å; E1745-Y1772 VanDerWaalsContact OE2-CA 3.23Å; E1745-Y1772 WeakPolarHBondContact OE2-CA 3.44Å; E1745-P1773 WeakPolarHBondContact OE1-CD 3.47Å; E1745-N1774 PolarHBondContact OE1-N 3.3Å; E1745-N1774 PolarHBondContact OE1-ND2 3.2Å; E1745-N1774 PolarHBondContact OE2-N 3.44Å; E1745-L1775 HydrophobicContact CB-CB 4.29Å; E1745-L1775 HydrophobicContact CB-CD2 4.48Å; E1745-L1775 PolarHBondContact OE2-N 3.26Å
1746V93.1Very high75.2Confident1 Ų178.8 Ų78.81%0.00640%0.4CS..Hα-helixtrans-57.3-46.7174.7-175.50000110.9I1676 L1679 R1680 V1683 S1744 R1748 Y1749 L1750 L1775I1676-V1746 HydrophobicContact CG2-CG1 4.21Å; L1679-V1746 HydrophobicContact CD2-CG1 3.95Å; L1679-V1746 HydrophobicContact CD2-CG2 4.44Å; L1679-V1746 HydrophobicContact CG-CG1 4.34Å; L1679-V1746 HydrophobicContact CG-CG2 4.2Å; R1680-V1746 HydrophobicContact CG-CB 4.28Å; R1680-V1746 HydrophobicContact CG-CG1 4.16Å; R1680-V1746 HydrophobicContact CG-CG2 4.14Å; V1683-V1746 HydrophobicContact CG2-CG2 4.16Å; S1744-V1746 PolarHBondContact O-N 2.67Å; V1746-R1748 VanDerWaalsContact C-N 3.32Å; V1746-R1748 PolarHBondContact O-N 3.16Å; V1746-Y1749 PolarHBondContact O-N 2.84Å; V1746-L1750 HydrophobicContact CG1-CD1 3.76Å; V1746-L1750 HydrophobicContact CG1-CG 4.24Å; V1746-L1750 WeakPolarHBondContact O-CB 3.47Å; V1746-L1750 VanDerWaalsContact O-CG 3.25Å; V1746-L1750 WeakPolarHBondContact O-CG 3.5Å; V1746-L1750 PolarHBondContact O-N 3.37Å; V1746-L1775 HydrophobicContact CG2-CD1 3.84Å; V1746-L1775 HydrophobicContact CG2-CD2 4.48Å
1747D92.2Very high77Confident34 Ų3472.6 Ų72.618%0.18237%0.367CS..Hα-helixtrans-68-26.9-179-66.3-50.6000113.7R1680 L1743 S1744 E1745 R1751R1680-D1747 IonicContact CZ-OD1 2.89Å; R1680-D1747 IonicContact NE-OD1 2.66Å; R1680-D1747 IonicContact NH2-OD1 2.69Å; R1680-D1747 PolarHBondContact NH2-OD1 3.05Å; R1680-D1747 IonicContact NH2-OD2 3.24Å; L1743-D1747 HydrophobicContact CB-CB 3.8Å; L1743-D1747 HydrophobicContact CD2-CB 4.41Å; S1744-D1747 WeakPolarHBondContact CB-OD2 3.43Å; S1744-D1747 PolarHBondContact N-OD2 2.87Å; S1744-D1747 VanDerWaalsContact N-OD2 3.12Å; S1744-D1747 PolarHBondContact O-N 3.03Å; S1744-D1747 PolarHBondContact OG-N 3.4Å; S1744-D1747 PolarHBondContact OG-OD2 3.29Å; E1745-D1747 VanDerWaalsContact C-N 3.34Å; E1745-D1747 PolarHBondContact O-N 3.02Å; D1747-R1751 WeakPolarHBondContact O-CG 3.37Å; D1747-R1751 PolarHBondContact O-NH1 2.98Å
1748R92.5Very high79Confident70 Ų7068.5 Ų68.526%0.26435%0.353SS..Hα-helixtrans-75.5-45.3169.5-92.8-173.7-76.4125.52.3111.4T1741 S1744 E1745 V1746 L1750 R1751 E1752 N1771 Y1772T1741-R1748 PolarHBondContact OG1-NE 3.43Å; S1744-R1748 PolarHBondContact O-N 3.37Å; E1745-R1748 PolarHBondContact O-N 2.86Å; V1746-R1748 VanDerWaalsContact C-N 3.32Å; V1746-R1748 PolarHBondContact O-N 3.16Å; R1748-L1750 VanDerWaalsContact C-N 3.35Å; R1748-L1750 PolarHBondContact O-N 3.25Å; R1748-R1751 WeakPolarHBondContact O-CA 3.34Å; R1748-R1751 WeakPolarHBondContact O-CB 3.45Å; R1748-R1751 PolarHBondContact O-N 3.26Å; R1748-E1752 PolarHBondContact O-N 2.97Å; R1748-N1771 PolarHBondContact NH1-O 3.02Å; R1748-Y1772 HydrophobicContact CB-CE1 3.61Å
1749Y95.4Very high81.1Confident0 Ų069.2 Ų69.20%036%0.358CS..Hα-helixtrans-59.3-42.4180169.6-110.7000112.9L1659 L1660 P1662 K1665 E1745 V1746 R1751 E1752 W1764 W1765 L1775L1659-Y1749 VanDerWaalsContact O-CE1 3.22Å; L1659-Y1749 WeakPolarHBondContact O-CE1 3.4Å; L1659-Y1749 PolarHBondContact O-OH 3.27Å; L1660-Y1749 VanDerWaalsContact C-OH 3.23Å; L1660-Y1749 WeakPolarHBondContact CA-OH 3.43Å; L1660-Y1749 PolarHBondContact O-OH 3.02Å; P1662-Y1749 HydrophobicContact CG-CE2 4.44Å; K1665-Y1749 HydrophobicContact CD-CD1 4.02Å; K1665-Y1749 HydrophobicContact CD-CD2 4.23Å; K1665-Y1749 HydrophobicContact CD-CE1 3.48Å; K1665-Y1749 VanDerWaalsContact CD-CE1 3.48Å; K1665-Y1749 HydrophobicContact CD-CE2 3.71Å; K1665-Y1749 HydrophobicContact CD-CG 4.36Å; K1665-Y1749 WeakPolarHBondContact CD-OH 3.39Å; K1665-Y1749 HydrophobicContact CG-CE1 3.78Å; K1665-Y1749 PolarHBondContact NZ-O 3.49Å; E1745-Y1749 WeakPolarHBondContact O-CB 3.2Å; E1745-Y1749 PolarHBondContact O-N 3Å; V1746-Y1749 PolarHBondContact O-N 2.84Å; Y1749-R1751 PolarHBondContact O-N 3.28Å; Y1749-R1751 VanDerWaalsContact O-N 3.11Å; Y1749-E1752 PolarHBondContact O-N 3.1Å; Y1749-W1764 AromaticContact CD2-CH2 3.8Å; Y1749-W1764 HydrophobicContact CD2-CH2 3.8Å; Y1749-W1764 AromaticContact CD2-CZ3 3.96Å; Y1749-W1764 HydrophobicContact CD2-CZ3 3.96Å; Y1749-W1764 AromaticContact CE2-CH2 3.95Å; Y1749-W1764 HydrophobicContact CE2-CH2 3.95Å; Y1749-W1764 AromaticContact CE2-CZ3 3.86Å; Y1749-W1764 HydrophobicContact CE2-CZ3 3.86Å; Y1749-W1765 HydrophobicContact CD1-CH2 4.44Å; Y1749-W1765 AromaticContact CD2-CH2 3.41Å; Y1749-W1765 HydrophobicContact CD2-CH2 3.41Å; Y1749-W1765 VanDerWaalsContact CD2-CH2 3.41Å; Y1749-W1765 AromaticContact CD2-CZ2 3.71Å; Y1749-W1765 HydrophobicContact CD2-CZ2 3.71Å; Y1749-W1765 HydrophobicContact CD2-CZ3 4.3Å; Y1749-W1765 HydrophobicContact CE1-CZ2 4.32Å; Y1749-W1765 AromaticContact CE2-CH2 3.52Å; Y1749-W1765 HydrophobicContact CE2-CH2 3.52Å; Y1749-W1765 AromaticContact CE2-CZ2 3.26Å; Y1749-W1765 HydrophobicContact CE2-CZ2 3.26Å; Y1749-W1765 AromaticContact CG-CH2 3.92Å; Y1749-W1765 HydrophobicContact CG-CH2 3.92Å; Y1749-W1765 HydrophobicContact CG-CZ2 4.41Å; Y1749-W1765 AromaticContact CZ-CZ2 3.61Å; Y1749-L1775 VanDerWaalsContact CB-CD2 3.49Å; Y1749-L1775 HydrophobicContact CD1-CD2 3.9Å; Y1749-L1775 HydrophobicContact CG-CD2 3.73Å
1750L93.8Very high83.3Confident22 Ų2266.2 Ų66.212%0.11534%0.337CS..THydrogen-bonded Turntrans-69.71.3174.1-62.3173.2000114.3L1659 K1665 I1676 V1746 R1748L1659-L1750 HydrophobicContact CD1-CD2 3.98Å; K1665-L1750 HydrophobicContact CG-CD2 4.29Å; I1676-L1750 HydrophobicContact CD1-CD1 3.97Å; I1676-L1750 HydrophobicContact CD1-CD2 4.45Å; I1676-L1750 HydrophobicContact CG1-CD1 4.08Å; I1676-L1750 HydrophobicContact CG1-CD2 4.45Å; I1676-L1750 HydrophobicContact CG2-CD1 3.65Å; V1746-L1750 HydrophobicContact CG1-CD1 3.76Å; V1746-L1750 HydrophobicContact CG1-CG 4.24Å; V1746-L1750 WeakPolarHBondContact O-CB 3.47Å; V1746-L1750 VanDerWaalsContact O-CG 3.25Å; V1746-L1750 WeakPolarHBondContact O-CG 3.5Å; V1746-L1750 PolarHBondContact O-N 3.37Å; R1748-L1750 VanDerWaalsContact C-N 3.35Å; R1748-L1750 PolarHBondContact O-N 3.25Å
1751R92.6Very high85.6Confident157 Ų15755.2 Ų55.259%0.59230%0.295SS*.THydrogen-bonded Turntrans-115.9-8.1173.1-71.8-179.3175.688-8.8114.1D1747 R1748 Y1749D1747-R1751 WeakPolarHBondContact O-CG 3.37Å; D1747-R1751 PolarHBondContact O-NH1 2.98Å; R1748-R1751 WeakPolarHBondContact O-CA 3.34Å; R1748-R1751 WeakPolarHBondContact O-CB 3.45Å; R1748-R1751 PolarHBondContact O-N 3.26Å; Y1749-R1751 PolarHBondContact O-N 3.28Å; Y1749-R1751 VanDerWaalsContact O-N 3.11Å
1752E94Very high87.4Confident53 Ų5352.7 Ų52.725%0.24828%0.279CS..SBendtrans-66.8153.7166.5-61.2-91.2-162.300109K1665 R1748 Y1749 W1764 K1768 Y1772K1665-E1752 PolarHBondContact NZ-O 3.1Å; R1748-E1752 PolarHBondContact O-N 2.97Å; Y1749-E1752 PolarHBondContact O-N 3.1Å; E1752-W1764 HydrophobicContact CB-CH2 4.36Å; E1752-W1764 HydrophobicContact CB-CZ2 4.06Å; E1752-W1764 HydrophobicContact CG-CH2 4.1Å; E1752-W1764 HydrophobicContact CG-CZ2 4.08Å; E1752-K1768 IonicContact OE1-NZ 3.67Å; E1752-K1768 PolarHBondContact OE1-NZ 2.95Å; E1752-K1768 IonicContact OE2-NZ 2.7Å; E1752-K1768 PolarHBondContact OE2-NZ 3.19Å; E1752-Y1772 VanDerWaalsContact CG-OH 3.25Å; E1752-Y1772 WeakPolarHBondContact CG-OH 3.42Å; E1752-Y1772 WeakPolarHBondContact OE1-CE2 3.36Å; E1752-Y1772 PolarHBondContact OE1-OH 2.98Å
1753D93.3Very high89.1Confident137 Ų13750.6 Ų50.673%0.73326%0.256SS*.PPolyproline II helixtrans-66.8155.2167.2-63.9-57.3000110.4K1665K1665-D1753 PolarHBondContact NZ-O 3.16Å
1754P93.2Very high90.5Very high64 Ų6449.4 Ų49.442%0.41625%0.248SC..PPolyproline II helixtrans-75162.5168.333-35.1000111.3P1662P1662-P1754 VanDerWaalsContact O-CA 3.28Å; P1662-P1754 WeakPolarHBondContact O-CA 3.23Å; P1662-P1754 VanDerWaalsContact O-CB 3.31Å; P1662-P1754 WeakPolarHBondContact O-CB 3.45Å
1755I93.8Very high90.8Very high19 Ų1947.1 Ų47.110%0.09723%0.231CC..PPolyproline II helixtrans-102.4162.3175.271.2-175.5000111.9P1662 R1663 E1759 W1764P1662-I1755 HydrophobicContact CB-CD1 3.97Å; P1662-I1755 HydrophobicContact CB-CG1 3.99Å; P1662-I1755 HydrophobicContact CB-CG2 4.26Å; P1662-I1755 HydrophobicContact CG-CD1 4.34Å; P1662-I1755 PolarHBondContact O-N 3.06Å; P1662-I1755 VanDerWaalsContact O-N 3.12Å; R1663-I1755 HydrophobicContact CB-CG1 4.49Å; R1663-I1755 HydrophobicContact CG-CD1 3.98Å; R1663-I1755 HydrophobicContact CG-CG1 3.6Å; I1755-E1759 HydrophobicContact CB-CB 4.1Å; I1755-E1759 HydrophobicContact CD1-CB 3.92Å; I1755-E1759 HydrophobicContact CG1-CB 4.1Å; I1755-W1764 HydrophobicContact CD1-CB 4.21Å; I1755-W1764 HydrophobicContact CD1-CG 4.42Å; I1755-W1764 HydrophobicContact CG2-CG 4.13Å
1756G88.7Confident90.4Very high33 Ų3348.6 Ų48.634%0.3424%0.238SC..PPolyproline II helixtrans-66.5155.7172.800000113.1E1758 E1759G1756-E1758 PolarHBondContact O-N 3.41Å; G1756-E1759 PolarHBondContact N-OE1 3.19Å; G1756-E1759 WeakPolarHBondContact O-CB 3.31Å; G1756-E1759 PolarHBondContact O-N 3.43Å
1757L85.6Confident90.2Very high32 Ų3253.3 Ų53.317%0.16827%0.267CS..THydrogen-bonded Turntrans-63.2-28.2-172.5-62.8165.5000114.4L378 R1663 F1664L378-L1757 HydrophobicContact CD1-CD1 3.48Å; L378-L1757 VanDerWaalsContact CD1-CD1 3.48Å; L378-L1757 HydrophobicContact CD1-CD2 3.36Å; L378-L1757 HydrophobicContact CD1-CG 3.98Å; R1663-L1757 HydrophobicContact CB-CD2 4.42Å; R1663-L1757 VanDerWaalsContact CD-O 3.31Å; R1663-L1757 WeakPolarHBondContact CD-O 3.31Å; F1664-L1757 HydrophobicContact CE1-CD2 3.72Å; F1664-L1757 HydrophobicContact CZ-CD2 4.35Å
1758E83.2Confident90.2Very high88 Ų8854 Ų5441%0.41127%0.269SS..THydrogen-bonded Turntrans-97.85.3-179.5-53.1-173.4-175.300112.1L374 K1597 L1600 G1756L374-E1758 WeakPolarHBondContact CD1-OE1 3.35Å; K1597-E1758 IonicContact NZ-OE1 2.71Å; K1597-E1758 PolarHBondContact NZ-OE1 3.12Å; K1597-E1758 IonicContact NZ-OE2 2.99Å; K1597-E1758 PolarHBondContact NZ-OE2 2.97Å; K1597-E1758 VanDerWaalsContact NZ-OE2 3.13Å; L1600-E1758 HydrophobicContact CD2-CG 4.04Å; G1756-E1758 PolarHBondContact O-N 3.41Å
1759E87.6Confident89.8Confident106 Ų10652.9 Ų52.950%0.49527%0.272SS..SBendtrans-84.3140.3169.4-65.9-177-112.100110.5I1755 G1756 P1761I1755-E1759 HydrophobicContact CB-CB 4.1Å; I1755-E1759 HydrophobicContact CD1-CB 3.92Å; I1755-E1759 HydrophobicContact CG1-CB 4.1Å; G1756-E1759 PolarHBondContact N-OE1 3.19Å; G1756-E1759 WeakPolarHBondContact O-CB 3.31Å; G1756-E1759 PolarHBondContact O-N 3.43Å; E1759-P1761 VanDerWaalsContact O-CD 3.31Å; E1759-P1761 WeakPolarHBondContact O-CD 3.22Å
1760D87.4Confident89.3Confident31 Ų3157.7 Ų57.717%0.16631%0.305CS..  trans-72.4114.3-178.3175.69.8000111.7T1346 I1601 Y1762 Q1763 W1764T1346-D1760 PolarHBondContact OG1-OD2 3.09Å; I1601-D1760 HydrophobicContact CD1-CB 3.59Å; I1601-D1760 VanDerWaalsContact CD1-OD1 3.26Å; I1601-D1760 WeakPolarHBondContact CD1-OD1 3.23Å; D1760-Y1762 VanDerWaalsContact C-N 3.26Å; D1760-Y1762 PolarHBondContact O-N 3.01Å; D1760-Y1762 WeakPolarHBondContact OD1-CA 3.37Å; D1760-Y1762 VanDerWaalsContact OD1-CB 3.23Å; D1760-Y1762 WeakPolarHBondContact OD1-CB 3.44Å; D1760-Y1762 WeakPolarHBondContact OD1-CD2 3.49Å; D1760-Y1762 PolarHBondContact OD1-N 3.03Å; D1760-Q1763 HydrophobicContact CB-CB 3.99Å; D1760-Q1763 HydrophobicContact CB-CG 4.22Å; D1760-Q1763 PolarHBondContact O-N 3.4Å; D1760-Q1763 PolarHBondContact OD1-N 3.09Å; D1760-Q1763 VanDerWaalsContact OD2-CG 3.31Å; D1760-Q1763 WeakPolarHBondContact OD2-CG 3.49Å; D1760-Q1763 PolarHBondContact OD2-N 3.42Å; D1760-W1764 PolarHBondContact O-N 3.5Å; D1760-W1764 VanDerWaalsContact O-N 3.11Å
1761P91.1Very high89Confident0 Ų060.5 Ų60.50%032%0.32CS..Hα-helixtrans-67.6-26.1177.631.4-37000112.2E1759 W1764 W1765 L1783E1759-P1761 VanDerWaalsContact O-CD 3.31Å; E1759-P1761 WeakPolarHBondContact O-CD 3.22Å; P1761-W1764 PolarHBondContact O-N 3.01Å; P1761-W1765 PolarHBondContact O-N 3.38Å; P1761-L1783 HydrophobicContact CB-CD1 3.98Å; P1761-L1783 HydrophobicContact CB-CD2 4.34Å; P1761-L1783 HydrophobicContact CG-CD1 4.37Å; P1761-L1783 HydrophobicContact CG-CD2 4.27Å
1762Y87.5Confident88.8Confident8 Ų853.2 Ų53.23%0.03129%0.293CS..Hα-helixtrans-70.2-47.6175.4-60.9-80.8000111.5N1341 T1348 I1601 T1603 D1760 W1764 W1765 Q1766 M1780 L1783N1341-Y1762 HydrophobicContact CB-CD1 4Å; N1341-Y1762 HydrophobicContact CB-CE1 3.94Å; N1341-Y1762 WeakPolarHBondContact ND2-CD1 3.37Å; T1348-Y1762 HydrophobicContact CG2-CD2 4.02Å; T1348-Y1762 HydrophobicContact CG2-CE2 3.24Å; I1601-Y1762 HydrophobicContact CG2-CD2 3.85Å; I1601-Y1762 HydrophobicContact CG2-CE2 3.52Å; T1603-Y1762 HydrophobicContact CG2-CE2 4Å; D1760-Y1762 VanDerWaalsContact C-N 3.26Å; D1760-Y1762 PolarHBondContact O-N 3.01Å; D1760-Y1762 WeakPolarHBondContact OD1-CA 3.37Å; D1760-Y1762 VanDerWaalsContact OD1-CB 3.23Å; D1760-Y1762 WeakPolarHBondContact OD1-CB 3.44Å; D1760-Y1762 WeakPolarHBondContact OD1-CD2 3.49Å; D1760-Y1762 PolarHBondContact OD1-N 3.03Å; Y1762-W1764 VanDerWaalsContact C-N 3.27Å; Y1762-W1764 PolarHBondContact O-N 3.43Å; Y1762-W1765 PolarHBondContact O-N 2.9Å; Y1762-Q1766 VanDerWaalsContact O-CB 3.29Å; Y1762-Q1766 WeakPolarHBondContact O-CB 3.37Å; Y1762-Q1766 PolarHBondContact O-N 2.99Å; Y1762-M1780 HydrophobicContact CD1-CE 3.8Å; Y1762-M1780 HydrophobicContact CD1-SD 3.76Å; Y1762-M1780 HydrophobicContact CE1-SD 4.47Å; Y1762-L1783 HydrophobicContact CD1-CB 4.22Å; Y1762-L1783 HydrophobicContact CD1-CD1 4.49Å; Y1762-L1783 HydrophobicContact CE1-CB 3.56Å; Y1762-L1783 VanDerWaalsContact OH-C 3.24Å; Y1762-L1783 PolarHBondContact OH-O 3.42Å
1763Q87.2Confident88.3Confident76 Ų7653.6 Ų53.636%0.35530%0.3SS..Hα-helixtrans-54.8-44.3170.5-89.5-55-37.100111.7T1346 D1760 Q1766 T1767T1346-Q1763 HydrophobicContact CG2-CG 4.39Å; T1346-Q1763 WeakPolarHBondContact OG1-CG 3.47Å; T1346-Q1763 PolarHBondContact OG1-NE2 2.9Å; D1760-Q1763 HydrophobicContact CB-CB 3.99Å; D1760-Q1763 HydrophobicContact CB-CG 4.22Å; D1760-Q1763 PolarHBondContact O-N 3.4Å; D1760-Q1763 PolarHBondContact OD1-N 3.09Å; D1760-Q1763 VanDerWaalsContact OD2-CG 3.31Å; D1760-Q1763 WeakPolarHBondContact OD2-CG 3.49Å; D1760-Q1763 PolarHBondContact OD2-N 3.42Å; Q1763-Q1766 PolarHBondContact O-N 3.46Å; Q1763-T1767 WeakPolarHBondContact O-CB 3.26Å; Q1763-T1767 PolarHBondContact O-N 3Å; Q1763-T1767 PolarHBondContact O-OG1 3.48Å
1764W91.6Very high87.8Confident35 Ų3548 Ų4813%0.13327%0.27CS..Hα-helixtrans-60.2-52.1-180-168.793.4000111.3P1662 Y1749 E1752 I1755 D1760 P1761 Y1762 Q1766 T1767 K1768 Y1772P1662-W1764 HydrophobicContact CB-CD2 4.14Å; P1662-W1764 HydrophobicContact CB-CE3 4.26Å; P1662-W1764 HydrophobicContact CG-CB 4.49Å; P1662-W1764 HydrophobicContact CG-CD2 3.73Å; P1662-W1764 HydrophobicContact CG-CE3 3.47Å; P1662-W1764 VanDerWaalsContact CG-CE3 3.47Å; P1662-W1764 HydrophobicContact CG-CG 4.18Å; P1662-W1764 HydrophobicContact CG-CZ3 4.01Å; Y1749-W1764 AromaticContact CD2-CH2 3.8Å; Y1749-W1764 HydrophobicContact CD2-CH2 3.8Å; Y1749-W1764 AromaticContact CD2-CZ3 3.96Å; Y1749-W1764 HydrophobicContact CD2-CZ3 3.96Å; Y1749-W1764 AromaticContact CE2-CH2 3.95Å; Y1749-W1764 HydrophobicContact CE2-CH2 3.95Å; Y1749-W1764 AromaticContact CE2-CZ3 3.86Å; Y1749-W1764 HydrophobicContact CE2-CZ3 3.86Å; E1752-W1764 HydrophobicContact CB-CH2 4.36Å; E1752-W1764 HydrophobicContact CB-CZ2 4.06Å; E1752-W1764 HydrophobicContact CG-CH2 4.1Å; E1752-W1764 HydrophobicContact CG-CZ2 4.08Å; I1755-W1764 HydrophobicContact CD1-CB 4.21Å; I1755-W1764 HydrophobicContact CD1-CG 4.42Å; I1755-W1764 HydrophobicContact CG2-CG 4.13Å; D1760-W1764 PolarHBondContact O-N 3.5Å; D1760-W1764 VanDerWaalsContact O-N 3.11Å; P1761-W1764 PolarHBondContact O-N 3.01Å; Y1762-W1764 VanDerWaalsContact C-N 3.27Å; Y1762-W1764 PolarHBondContact O-N 3.43Å; W1764-Q1766 PolarHBondContact O-N 3.46Å; W1764-T1767 PolarHBondContact O-N 2.83Å; W1764-K1768 HydrophobicContact CD2-CG 3.93Å; W1764-K1768 HydrophobicContact CE3-CB 4.29Å; W1764-K1768 HydrophobicContact CE3-CG 4.01Å; W1764-K1768 HydrophobicContact CH2-CB 4.45Å; W1764-K1768 HydrophobicContact CH2-CD 4.49Å; W1764-K1768 HydrophobicContact CH2-CG 4Å; W1764-K1768 HydrophobicContact CZ2-CD 4.28Å; W1764-K1768 HydrophobicContact CZ2-CG 3.95Å; W1764-K1768 HydrophobicContact CZ3-CB 4.17Å; W1764-K1768 HydrophobicContact CZ3-CG 4.04Å; W1764-K1768 VanDerWaalsContact O-CB 3.24Å; W1764-K1768 WeakPolarHBondContact O-CB 3.48Å; W1764-K1768 WeakPolarHBondContact O-CG 3.17Å; W1764-K1768 PolarHBondContact O-N 3.2Å; W1764-Y1772 HydrophobicContact CH2-CE2 4.4Å
1765W91.3Very high87.7Confident1 Ų144.9 Ų44.90%0.00425%0.25CC..Hα-helixtrans-65.9-37179.1-83.4114.2000113.5L1660 Y1749 P1761 Y1762 K1768 S1769 Y1772 L1775 A1779 M1780L1660-W1765 HydrophobicContact CD2-CH2 4.35Å; L1660-W1765 HydrophobicContact CD2-CZ2 4.08Å; L1660-W1765 VanDerWaalsContact O-CE2 3.3Å; L1660-W1765 WeakPolarHBondContact O-CZ2 3.5Å; L1660-W1765 PolarHBondContact O-NE1 3.26Å; Y1749-W1765 HydrophobicContact CD1-CH2 4.44Å; Y1749-W1765 AromaticContact CD2-CH2 3.41Å; Y1749-W1765 HydrophobicContact CD2-CH2 3.41Å; Y1749-W1765 VanDerWaalsContact CD2-CH2 3.41Å; Y1749-W1765 AromaticContact CD2-CZ2 3.71Å; Y1749-W1765 HydrophobicContact CD2-CZ2 3.71Å; Y1749-W1765 HydrophobicContact CD2-CZ3 4.3Å; Y1749-W1765 HydrophobicContact CE1-CZ2 4.32Å; Y1749-W1765 AromaticContact CE2-CH2 3.52Å; Y1749-W1765 HydrophobicContact CE2-CH2 3.52Å; Y1749-W1765 AromaticContact CE2-CZ2 3.26Å; Y1749-W1765 HydrophobicContact CE2-CZ2 3.26Å; Y1749-W1765 AromaticContact CG-CH2 3.92Å; Y1749-W1765 HydrophobicContact CG-CH2 3.92Å; Y1749-W1765 HydrophobicContact CG-CZ2 4.41Å; Y1749-W1765 AromaticContact CZ-CZ2 3.61Å; P1761-W1765 PolarHBondContact O-N 3.38Å; Y1762-W1765 PolarHBondContact O-N 2.9Å; W1765-K1768 CarbonylContact O-C 3.29Å; W1765-K1768 PolarHBondContact O-N 3.14Å; W1765-S1769 VanDerWaalsContact O-CA 3.32Å; W1765-S1769 WeakPolarHBondContact O-CA 3.31Å; W1765-S1769 WeakPolarHBondContact O-CB 3.26Å; W1765-S1769 PolarHBondContact O-N 3.11Å; W1765-Y1772 HydrophobicContact CZ3-CD2 4.2Å; W1765-Y1772 HydrophobicContact CZ3-CG 4.09Å; W1765-L1775 HydrophobicContact CH2-CB 4.21Å; W1765-L1775 HydrophobicContact CH2-CD2 3.82Å; W1765-L1775 HydrophobicContact CH2-CG 3.85Å; W1765-L1775 HydrophobicContact CZ3-CB 4.15Å; W1765-L1775 HydrophobicContact CZ3-CD2 4.4Å; W1765-L1775 HydrophobicContact CZ3-CG 4.3Å; W1765-A1779 HydrophobicContact CD2-CB 3.57Å; W1765-A1779 HydrophobicContact CE3-CB 4.19Å; W1765-A1779 HydrophobicContact CG-CB 3.82Å; W1765-A1779 HydrophobicContact CH2-CB 4.37Å; W1765-A1779 HydrophobicContact CZ2-CB 3.78Å; W1765-M1780 HydrophobicContact CB-CE 3.48Å; W1765-M1780 VanDerWaalsContact CB-CE 3.48Å; W1765-M1780 HydrophobicContact CG-CE 4.02Å
1766Q84.4Confident87.4Confident54 Ų5444.3 Ų44.325%0.25225%0.248SC..Hα-helixtrans-64.1-49.8175179.4171.17400111.1S1343 Y1762 Q1763 W1764 K1768 S1769S1343-Q1766 PolarHBondContact O-NE2 3.29Å; Y1762-Q1766 VanDerWaalsContact O-CB 3.29Å; Y1762-Q1766 WeakPolarHBondContact O-CB 3.37Å; Y1762-Q1766 PolarHBondContact O-N 2.99Å; Q1763-Q1766 PolarHBondContact O-N 3.46Å; W1764-Q1766 PolarHBondContact O-N 3.46Å; Q1766-K1768 PolarHBondContact O-N 3.05Å; Q1766-S1769 VanDerWaalsContact O-CB 3.31Å; Q1766-S1769 WeakPolarHBondContact O-CB 3.44Å; Q1766-S1769 PolarHBondContact O-N 2.96Å; Q1766-S1769 VanDerWaalsContact O-N 3.17Å; Q1766-S1769 PolarHBondContact O-OG 2.83Å
1767T88.5Confident87.2Confident99 Ų9943.6 Ų43.661%0.60724%0.236SC*.Hα-helixtrans-59-35.3176.9-61.70000111.8Q1763 W1764Q1763-T1767 WeakPolarHBondContact O-CB 3.26Å; Q1763-T1767 PolarHBondContact O-N 3Å; Q1763-T1767 PolarHBondContact O-OG1 3.48Å; W1764-T1767 PolarHBondContact O-N 2.83Å
1768K90.5Very high87.3Confident49 Ų4942.1 Ų42.121%0.21323%0.228CC..Hα-helixtrans-90.8-7.6-179.6-66.2-76-160.9161.10114.2E1752 W1764 W1765 Q1766 S1770 N1771 Y1772E1752-K1768 IonicContact OE1-NZ 3.67Å; E1752-K1768 PolarHBondContact OE1-NZ 2.95Å; E1752-K1768 IonicContact OE2-NZ 2.7Å; E1752-K1768 PolarHBondContact OE2-NZ 3.19Å; W1764-K1768 HydrophobicContact CD2-CG 3.93Å; W1764-K1768 HydrophobicContact CE3-CB 4.29Å; W1764-K1768 HydrophobicContact CE3-CG 4.01Å; W1764-K1768 HydrophobicContact CH2-CB 4.45Å; W1764-K1768 HydrophobicContact CH2-CD 4.49Å; W1764-K1768 HydrophobicContact CH2-CG 4Å; W1764-K1768 HydrophobicContact CZ2-CD 4.28Å; W1764-K1768 HydrophobicContact CZ2-CG 3.95Å; W1764-K1768 HydrophobicContact CZ3-CB 4.17Å; W1764-K1768 HydrophobicContact CZ3-CG 4.04Å; W1764-K1768 VanDerWaalsContact O-CB 3.24Å; W1764-K1768 WeakPolarHBondContact O-CB 3.48Å; W1764-K1768 WeakPolarHBondContact O-CG 3.17Å; W1764-K1768 PolarHBondContact O-N 3.2Å; W1765-K1768 CarbonylContact O-C 3.29Å; W1765-K1768 PolarHBondContact O-N 3.14Å; Q1766-K1768 PolarHBondContact O-N 3.05Å; K1768-S1770 VanDerWaalsContact C-N 3.3Å; K1768-S1770 PolarHBondContact O-N 2.9Å; K1768-S1770 VanDerWaalsContact O-N 3.17Å; K1768-N1771 WeakPolarHBondContact O-CA 3.44Å; K1768-N1771 WeakPolarHBondContact O-CB 3.46Å; K1768-N1771 PolarHBondContact O-N 3.07Å; K1768-Y1772 HydrophobicContact CB-CD2 3.89Å; K1768-Y1772 HydrophobicContact CB-CE2 4.13Å; K1768-Y1772 HydrophobicContact CD-CE2 4.36Å; K1768-Y1772 WeakPolarHBondContact O-CD2 3.27Å; K1768-Y1772 PolarHBondContact O-N 3.18Å
1769S85.4Confident87.6Confident47 Ų4737.9 Ų37.933%0.32921%0.208SC..THydrogen-bonded Turntrans-54.1-39.5-169.758.70000114.4W1765 Q1766 N1771 Y1772 P1773W1765-S1769 VanDerWaalsContact O-CA 3.32Å; W1765-S1769 WeakPolarHBondContact O-CA 3.31Å; W1765-S1769 WeakPolarHBondContact O-CB 3.26Å; W1765-S1769 PolarHBondContact O-N 3.11Å; Q1766-S1769 VanDerWaalsContact O-CB 3.31Å; Q1766-S1769 WeakPolarHBondContact O-CB 3.44Å; Q1766-S1769 PolarHBondContact O-N 2.96Å; Q1766-S1769 VanDerWaalsContact O-N 3.17Å; Q1766-S1769 PolarHBondContact O-OG 2.83Å; S1769-N1771 PolarHBondContact O-N 3.45Å; S1769-Y1772 CarbonylContact O-C 3.41Å; S1769-Y1772 PolarHBondContact O-N 3.4Å; S1769-P1773 WeakPolarHBondContact O-CA 3.32Å; S1769-P1773 VanDerWaalsContact O-N 3.17Å
1770S84.1Confident87.6Confident100 Ų10033.5 Ų33.570%0.69919%0.188SC*.THydrogen-bonded Turntrans-62-23.6175.756.20000114.2K1768K1768-S1770 VanDerWaalsContact C-N 3.3Å; K1768-S1770 PolarHBondContact O-N 2.9Å; K1768-S1770 VanDerWaalsContact O-N 3.17Å
1771N87.1Confident87.6Confident81 Ų8132.6 Ų32.643%0.43318%0.182SC..THydrogen-bonded Turntrans-87.9-27.2173.1-58-79.1000111.9R1748 K1768 S1769 P1773R1748-N1771 PolarHBondContact NH1-O 3.02Å; K1768-N1771 WeakPolarHBondContact O-CA 3.44Å; K1768-N1771 WeakPolarHBondContact O-CB 3.46Å; K1768-N1771 PolarHBondContact O-N 3.07Å; S1769-N1771 PolarHBondContact O-N 3.45Å; N1771-P1773 VanDerWaalsContact C-CD 3.45Å; N1771-P1773 WeakPolarHBondContact O-CD 3.46Å
1772Y89.7Confident87.7Confident5 Ų532.6 Ų32.62%0.0218%0.182CC..  trans-127.962.2-173.4-56.6-74.4000111.2E1745 R1748 E1752 W1764 W1765 K1768 S1769 N1774 L1775 S1776E1745-Y1772 HydrophobicContact CB-CD1 4.15Å; E1745-Y1772 HydrophobicContact CG-CD1 4.44Å; E1745-Y1772 WeakPolarHBondContact O-CE1 3.25Å; E1745-Y1772 VanDerWaalsContact OE2-CA 3.23Å; E1745-Y1772 WeakPolarHBondContact OE2-CA 3.44Å; R1748-Y1772 HydrophobicContact CB-CE1 3.61Å; E1752-Y1772 VanDerWaalsContact CG-OH 3.25Å; E1752-Y1772 WeakPolarHBondContact CG-OH 3.42Å; E1752-Y1772 WeakPolarHBondContact OE1-CE2 3.36Å; E1752-Y1772 PolarHBondContact OE1-OH 2.98Å; W1764-Y1772 HydrophobicContact CH2-CE2 4.4Å; W1765-Y1772 HydrophobicContact CZ3-CD2 4.2Å; W1765-Y1772 HydrophobicContact CZ3-CG 4.09Å; K1768-Y1772 HydrophobicContact CB-CD2 3.89Å; K1768-Y1772 HydrophobicContact CB-CE2 4.13Å; K1768-Y1772 HydrophobicContact CD-CE2 4.36Å; K1768-Y1772 WeakPolarHBondContact O-CD2 3.27Å; K1768-Y1772 PolarHBondContact O-N 3.18Å; S1769-Y1772 CarbonylContact O-C 3.41Å; S1769-Y1772 PolarHBondContact O-N 3.4Å; Y1772-N1774 PolarHBondContact O-N 2.93Å; Y1772-N1774 VanDerWaalsContact O-N 3.16Å; Y1772-L1775 HydrophobicContact CD1-CD2 4.45Å; Y1772-L1775 PolarHBondContact O-N 3.32Å; Y1772-S1776 WeakPolarHBondContact O-CB 3.46Å; Y1772-S1776 PolarHBondContact O-N 3.25Å; Y1772-S1776 PolarHBondContact O-OG 3.43Å
1773P83.1Confident87.8Confident61 Ų6132.2 Ų32.240%0.39618%0.181SC..THydrogen-bonded Turntrans-64.8-20.7-168.925.8-35.9000114.4E1745 S1769 N1771 L1777E1745-P1773 WeakPolarHBondContact OE1-CD 3.47Å; S1769-P1773 WeakPolarHBondContact O-CA 3.32Å; S1769-P1773 VanDerWaalsContact O-N 3.17Å; N1771-P1773 VanDerWaalsContact C-CD 3.45Å; N1771-P1773 WeakPolarHBondContact O-CD 3.46Å; P1773-L1777 WeakPolarHBondContact O-CD1 3.49Å; P1773-L1777 WeakPolarHBondContact O-CG 3.37Å
1774N83.9Confident87.9Confident18 Ų1828.7 Ų28.710%0.09617%0.165CC..THydrogen-bonded Turntrans-102.7-42175-60.8-79.2000111.1M1686 F1687 E1745 Y1772 S1776 L1777 L1778M1686-N1774 HydrophobicContact SD-CB 4.43Å; F1687-N1774 WeakPolarHBondContact CZ-ND2 3.35Å; E1745-N1774 PolarHBondContact OE1-N 3.3Å; E1745-N1774 PolarHBondContact OE1-ND2 3.2Å; E1745-N1774 PolarHBondContact OE2-N 3.44Å; Y1772-N1774 PolarHBondContact O-N 2.93Å; Y1772-N1774 VanDerWaalsContact O-N 3.16Å; N1774-S1776 VanDerWaalsContact C-N 3.27Å; N1774-S1776 PolarHBondContact O-N 3.25Å; N1774-L1777 WeakPolarHBondContact O-CB 3.48Å; N1774-L1777 PolarHBondContact O-N 3.48Å; N1774-L1777 VanDerWaalsContact O-N 3.16Å; N1774-L1778 PolarHBondContact O-N 3.28Å
1775L90Very high88Confident0 Ų027.1 Ų27.10%016%0.159CC..Hα-helixtrans-66.9-29.6-178-15065.6000112.4L1660 L1679 V1683 E1745 V1746 Y1749 W1765 Y1772 L1778 A1779L1660-L1775 HydrophobicContact CD2-CD1 3.99Å; L1660-L1775 HydrophobicContact CD2-CG 3.88Å; L1679-L1775 HydrophobicContact CD1-CD1 3.91Å; L1679-L1775 HydrophobicContact CD2-CD1 4.43Å; L1679-L1775 HydrophobicContact CG-CD1 4.36Å; V1683-L1775 HydrophobicContact CG2-CD1 3.61Å; E1745-L1775 HydrophobicContact CB-CB 4.29Å; E1745-L1775 HydrophobicContact CB-CD2 4.48Å; E1745-L1775 PolarHBondContact OE2-N 3.26Å; V1746-L1775 HydrophobicContact CG2-CD1 3.84Å; V1746-L1775 HydrophobicContact CG2-CD2 4.48Å; Y1749-L1775 VanDerWaalsContact CB-CD2 3.49Å; Y1749-L1775 HydrophobicContact CD1-CD2 3.9Å; Y1749-L1775 HydrophobicContact CG-CD2 3.73Å; W1765-L1775 HydrophobicContact CH2-CB 4.21Å; W1765-L1775 HydrophobicContact CH2-CD2 3.82Å; W1765-L1775 HydrophobicContact CH2-CG 3.85Å; W1765-L1775 HydrophobicContact CZ3-CB 4.15Å; W1765-L1775 HydrophobicContact CZ3-CD2 4.4Å; W1765-L1775 HydrophobicContact CZ3-CG 4.3Å; Y1772-L1775 HydrophobicContact CD1-CD2 4.45Å; Y1772-L1775 PolarHBondContact O-N 3.32Å; L1775-L1778 HydrophobicContact CD1-CD2 4.48Å; L1775-A1779 VanDerWaalsContact O-CB 3.25Å; L1775-A1779 WeakPolarHBondContact O-CB 3.5Å; L1775-A1779 PolarHBondContact O-N 3.2Å
1776S88.3Confident87.9Confident7 Ų727.3 Ų27.35%0.04916%0.16CC..Hα-helixtrans-73.1-29.3173.861.90000113.7Y1772 N1774 M1780Y1772-S1776 WeakPolarHBondContact O-CB 3.46Å; Y1772-S1776 PolarHBondContact O-N 3.25Å; Y1772-S1776 PolarHBondContact O-OG 3.43Å; N1774-S1776 VanDerWaalsContact C-N 3.27Å; N1774-S1776 PolarHBondContact O-N 3.25Å; S1776-M1780 WeakPolarHBondContact O-CG 3.25Å; S1776-M1780 PolarHBondContact O-N 2.85Å
1777L83.4Confident88.1Confident18 Ų1824.8 Ų24.89%0.09415%0.148CC..Hα-helixtrans-65-51.3171-57.3175.7000110.1F1297 N1298 V1441 M1686 P1773 N1774 A1779 M1780 Y1781F1297-L1777 WeakPolarHBondContact O-CD2 3.06Å; N1298-L1777 WeakPolarHBondContact OD1-CA 3.23Å; N1298-L1777 WeakPolarHBondContact OD1-CD2 3.05Å; V1441-L1777 HydrophobicContact CG2-CB 4.49Å; M1686-L1777 HydrophobicContact CE-CB 4.37Å; M1686-L1777 HydrophobicContact CE-CD1 4.08Å; P1773-L1777 WeakPolarHBondContact O-CD1 3.49Å; P1773-L1777 WeakPolarHBondContact O-CG 3.37Å; N1774-L1777 WeakPolarHBondContact O-CB 3.48Å; N1774-L1777 PolarHBondContact O-N 3.48Å; N1774-L1777 VanDerWaalsContact O-N 3.16Å; L1777-A1779 VanDerWaalsContact C-N 3.29Å; L1777-A1779 PolarHBondContact O-N 2.82Å; L1777-M1780 PolarHBondContact O-N 3.1Å; L1777-Y1781 PolarHBondContact O-N 2.93Å
1778L87.6Confident88Confident0 Ų020.2 Ų20.20%012%0.12CC..Hα-helixtrans-60-39.9177.9-169.868.7000111.4W1444 L1660 L1679 K1682 V1683 N1774 L1775 Y1781 Y1782W1444-L1778 HydrophobicContact CE3-CD1 4.28Å; W1444-L1778 HydrophobicContact CH2-CB 4.18Å; W1444-L1778 HydrophobicContact CH2-CD1 3.3Å; W1444-L1778 HydrophobicContact CH2-CG 4.33Å; W1444-L1778 HydrophobicContact CZ2-CD1 3.7Å; W1444-L1778 HydrophobicContact CZ3-CD1 3.62Å; L1660-L1778 HydrophobicContact CD1-CB 4.37Å; L1660-L1778 HydrophobicContact CD1-CD2 3.96Å; L1660-L1778 HydrophobicContact CD1-CG 3.77Å; L1679-L1778 HydrophobicContact CD1-CD2 3.4Å; K1682-L1778 HydrophobicContact CB-CD2 4.45Å; V1683-L1778 HydrophobicContact CG2-CD2 3.97Å; N1774-L1778 PolarHBondContact O-N 3.28Å; L1775-L1778 HydrophobicContact CD1-CD2 4.48Å; L1778-Y1781 PolarHBondContact O-N 2.86Å; L1778-Y1782 HydrophobicContact CD1-CD2 4.04Å; L1778-Y1782 HydrophobicContact CD1-CE2 3.76Å; L1778-Y1782 HydrophobicContact CG-CD2 3.98Å; L1778-Y1782 HydrophobicContact CG-CE2 4.06Å; L1778-Y1782 WeakPolarHBondContact O-CD2 3.41Å; L1778-Y1782 PolarHBondContact O-N 3.08Å
1779A90.9Very high87.7Confident0 Ų018.2 Ų18.20%011%0.112CC..Hα-helixtrans-66.4-39.9175.600000113.3L1660 W1765 L1775 L1777 Y1782 L1783L1660-A1779 HydrophobicContact CB-CB 4.28Å; L1660-A1779 HydrophobicContact CD2-CB 4.43Å; W1765-A1779 HydrophobicContact CD2-CB 3.57Å; W1765-A1779 HydrophobicContact CE3-CB 4.19Å; W1765-A1779 HydrophobicContact CG-CB 3.82Å; W1765-A1779 HydrophobicContact CH2-CB 4.37Å; W1765-A1779 HydrophobicContact CZ2-CB 3.78Å; L1775-A1779 VanDerWaalsContact O-CB 3.25Å; L1775-A1779 WeakPolarHBondContact O-CB 3.5Å; L1775-A1779 PolarHBondContact O-N 3.2Å; L1777-A1779 VanDerWaalsContact C-N 3.29Å; L1777-A1779 PolarHBondContact O-N 2.82Å; A1779-Y1782 PolarHBondContact O-N 3.04Å; A1779-L1783 VanDerWaalsContact O-CB 3.28Å; A1779-L1783 WeakPolarHBondContact O-CB 3.5Å; A1779-L1783 VanDerWaalsContact O-CG 3.28Å; A1779-L1783 WeakPolarHBondContact O-CG 3.24Å; A1779-L1783 PolarHBondContact O-N 2.96Å
1780M87.2Confident86.9Confident13 Ų1316.2 Ų16.26%0.06410%0.098CC..Hα-helixtrans-63.2-44.6174.2-69-55.986.400111.7N1298 A1300 Y1762 W1765 S1776 L1777 Y1782 L1783 A1784N1298-M1780 VanDerWaalsContact ND2-CG 3.31Å; N1298-M1780 WeakPolarHBondContact ND2-CG 3.3Å; A1300-M1780 VanDerWaalsContact CB-C 3.48Å; A1300-M1780 HydrophobicContact CB-CB 3.81Å; A1300-M1780 WeakPolarHBondContact CB-O 3.19Å; Y1762-M1780 HydrophobicContact CD1-CE 3.8Å; Y1762-M1780 HydrophobicContact CD1-SD 3.76Å; Y1762-M1780 HydrophobicContact CE1-SD 4.47Å; W1765-M1780 HydrophobicContact CB-CE 3.48Å; W1765-M1780 VanDerWaalsContact CB-CE 3.48Å; W1765-M1780 HydrophobicContact CG-CE 4.02Å; S1776-M1780 WeakPolarHBondContact O-CG 3.25Å; S1776-M1780 PolarHBondContact O-N 2.85Å; L1777-M1780 PolarHBondContact O-N 3.1Å; M1780-Y1782 VanDerWaalsContact C-N 3.34Å; M1780-Y1782 PolarHBondContact O-N 3.21Å; M1780-L1783 HydrophobicContact CE-CD1 3.99Å; M1780-L1783 PolarHBondContact O-N 2.66Å; M1780-A1784 VanDerWaalsContact O-CB 3.27Å; M1780-A1784 WeakPolarHBondContact O-CB 3.49Å; M1780-A1784 PolarHBondContact O-N 2.73Å
1781Y87.6Confident85.9Confident12 Ų1213 Ų135%0.0477%0.074CC..Hα-helixtrans-55.4-47.3174.2163.2-87.5000111.8W1444 P1445 P1447 L1777 L1778W1444-Y1781 HydrophobicContact CB-CD2 4.49Å; W1444-Y1781 HydrophobicContact CB-CE2 3.81Å; W1444-Y1781 HydrophobicContact CE3-CD1 4Å; W1444-Y1781 AromaticContact CE3-CD2 3.8Å; W1444-Y1781 HydrophobicContact CE3-CD2 3.8Å; W1444-Y1781 HydrophobicContact CE3-CE1 4.41Å; W1444-Y1781 HydrophobicContact CE3-CE2 4.19Å; W1444-Y1781 AromaticContact CE3-CG 3.7Å; W1444-Y1781 HydrophobicContact CE3-CG 3.7Å; W1444-Y1781 HydrophobicContact CZ3-CD1 4.39Å; W1444-Y1781 HydrophobicContact CZ3-CG 4.08Å; P1445-Y1781 PolarHBondContact O-OH 3.4Å; P1447-Y1781 HydrophobicContact CG-CE2 4.17Å; L1777-Y1781 PolarHBondContact O-N 2.93Å; L1778-Y1781 PolarHBondContact O-N 2.86Å
1782Y91.9Very high84.6Confident0 Ų012 Ų120%07%0.072CC..Hα-helixtrans-75.7-32.1-177.4-89-66.8000114.7T1653 I1656 A1657 L1660 K1682 L1778 A1779 M1780 I1785T1653-Y1782 HydrophobicContact CG2-CD1 4.34Å; T1653-Y1782 HydrophobicContact CG2-CE1 3.77Å; T1653-Y1782 WeakPolarHBondContact O-CE1 3.12Å; I1656-Y1782 HydrophobicContact CB-CE1 4.19Å; I1656-Y1782 HydrophobicContact CB-CE2 4.11Å; I1656-Y1782 HydrophobicContact CG2-CD2 3.82Å; I1656-Y1782 HydrophobicContact CG2-CE1 4.26Å; I1656-Y1782 HydrophobicContact CG2-CE2 3.33Å; I1656-Y1782 HydrophobicContact CG2-CG 4.47Å; A1657-Y1782 HydrophobicContact CB-CD1 3.79Å; A1657-Y1782 HydrophobicContact CB-CG 4.28Å; L1660-Y1782 HydrophobicContact CD1-CD2 3.56Å; L1660-Y1782 HydrophobicContact CD1-CE2 4.27Å; L1660-Y1782 HydrophobicContact CD1-CG 4.22Å; K1682-Y1782 PolarHBondContact NZ-OH 3.08Å; L1778-Y1782 HydrophobicContact CD1-CD2 4.04Å; L1778-Y1782 HydrophobicContact CD1-CE2 3.76Å; L1778-Y1782 HydrophobicContact CG-CD2 3.98Å; L1778-Y1782 HydrophobicContact CG-CE2 4.06Å; L1778-Y1782 WeakPolarHBondContact O-CD2 3.41Å; L1778-Y1782 PolarHBondContact O-N 3.08Å; A1779-Y1782 PolarHBondContact O-N 3.04Å; M1780-Y1782 VanDerWaalsContact C-N 3.34Å; M1780-Y1782 PolarHBondContact O-N 3.21Å; Y1782-I1785 HydrophobicContact CD1-CD1 3.99Å; Y1782-I1785 WeakPolarHBondContact O-CG1 3.43Å
1783L91.3Very high83.1Confident1 Ų114.9 Ų14.91%0.0059%0.086CC..Hα-helixtrans-76.4-30.2176.6-71.3168.7000111.6T1603 D1661 P1761 Y1762 A1779 M1780 I1785T1603-L1783 HydrophobicContact CG2-CD2 4.48Å; T1603-L1783 WeakPolarHBondContact CG2-O 3.26Å; D1661-L1783 HydrophobicContact CB-CD2 4.18Å; P1761-L1783 HydrophobicContact CB-CD1 3.98Å; P1761-L1783 HydrophobicContact CB-CD2 4.34Å; P1761-L1783 HydrophobicContact CG-CD1 4.37Å; P1761-L1783 HydrophobicContact CG-CD2 4.27Å; Y1762-L1783 HydrophobicContact CD1-CB 4.22Å; Y1762-L1783 HydrophobicContact CD1-CD1 4.49Å; Y1762-L1783 HydrophobicContact CE1-CB 3.56Å; Y1762-L1783 VanDerWaalsContact OH-C 3.24Å; Y1762-L1783 PolarHBondContact OH-O 3.42Å; A1779-L1783 VanDerWaalsContact O-CB 3.28Å; A1779-L1783 WeakPolarHBondContact O-CB 3.5Å; A1779-L1783 VanDerWaalsContact O-CG 3.28Å; A1779-L1783 WeakPolarHBondContact O-CG 3.24Å; A1779-L1783 PolarHBondContact O-N 2.96Å; M1780-L1783 HydrophobicContact CE-CD1 3.99Å; M1780-L1783 PolarHBondContact O-N 2.66Å; L1783-I1785 PolarHBondContact O-N 3.36Å
1784A89.3Confident81.9Confident2 Ų212.6 Ų12.62%0.0177%0.069CC..THydrogen-bonded Turntrans-63.8-7.6175.700000114.5A1300 S1302 M1780 S1786A1300-A1784 HydrophobicContact CB-CB 4.18Å; S1302-A1784 WeakPolarHBondContact CB-O 3.39Å; S1302-A1784 PolarHBondContact OG-O 2.94Å; M1780-A1784 VanDerWaalsContact O-CB 3.27Å; M1780-A1784 WeakPolarHBondContact O-CB 3.49Å; M1780-A1784 PolarHBondContact O-N 2.73Å; A1784-S1786 PolarHBondContact O-N 3.24Å
1785I91.9Very high80.4Confident1 Ų112 Ų121%0.0057%0.066CC..SBendtrans-69.4122.3168.2-54.8-179.8000108.5P1447 I1449 T1603 G1604 T1653 Y1782 L1783P1447-I1785 HydrophobicContact CB-CD1 4.1Å; P1447-I1785 HydrophobicContact CB-CG1 3.83Å; P1447-I1785 HydrophobicContact CG-CD1 4.07Å; P1447-I1785 HydrophobicContact CG-CG1 3.85Å; I1449-I1785 HydrophobicContact CD1-CG2 3.86Å; I1449-I1785 HydrophobicContact CG1-CG2 4.11Å; T1603-I1785 CarbonylContact C-O 3.53Å; T1603-I1785 WeakPolarHBondContact CA-O 3.48Å; G1604-I1785 PolarHBondContact N-O 3.36Å; T1653-I1785 HydrophobicContact CG2-CD1 3.76Å; Y1782-I1785 HydrophobicContact CD1-CD1 3.99Å; Y1782-I1785 WeakPolarHBondContact O-CG1 3.43Å; L1783-I1785 PolarHBondContact O-N 3.36Å
1786S89.5Confident78.6Confident6 Ų617.4 Ų17.44%0.0429%0.09CC..BIsolated β-bridgetrans-67.5157.2173.9-175.30000112.6A1784 I1788A1784-S1786 PolarHBondContact O-N 3.24Å; S1786-I1788 VanDerWaalsContact C-N 3.34Å; S1786-I1788 WeakPolarHBondContact CB-O 3.34Å; S1786-I1788 PolarHBondContact OG-N 2.86Å; S1786-I1788 PolarHBondContact OG-O 3.09Å
1787L90.1Very high76.3Confident0 Ų019.9 Ų19.90%011%0.107CC..SBendtrans-76.3-24.4166.3-175.856.9000112.5L1473 I1595 L1602 M1606 I1607 I1610L1473-L1787 HydrophobicContact CB-CD1 4.32Å; L1473-L1787 HydrophobicContact CD2-CD1 3.84Å; I1595-L1787 HydrophobicContact CD1-CD2 4.4Å; I1595-L1787 HydrophobicContact CG1-CD2 4.1Å; I1595-L1787 HydrophobicContact CG2-CD2 4.01Å; L1602-L1787 HydrophobicContact CB-CB 3.99Å; L1602-L1787 HydrophobicContact CB-CD2 4.07Å; L1602-L1787 HydrophobicContact CD2-CD2 3.97Å; L1602-L1787 HydrophobicContact CG-CD2 4.43Å; M1606-L1787 HydrophobicContact CB-CD1 4.21Å; M1606-L1787 HydrophobicContact CB-CD2 4.49Å; M1606-L1787 HydrophobicContact SD-CD2 4.38Å; I1607-L1787 HydrophobicContact CB-CD1 4.47Å; I1607-L1787 HydrophobicContact CD1-CD1 4.33Å; I1607-L1787 HydrophobicContact CG1-CD1 3.39Å; I1610-L1787 HydrophobicContact CD1-CD1 4.46Å; I1610-L1787 HydrophobicContact CD1-CD2 4.48Å
1788I85.7Confident74.2Confident4 Ų423.8 Ų23.82%0.02113%0.127CC..  trans-143.7147.4-164.954.5179.7000111.6V1474 L1602 S1786 I1790 P1792 L1795V1474-I1788 HydrophobicContact CB-CG2 4.24Å; V1474-I1788 HydrophobicContact CG2-CG2 3.59Å; L1602-I1788 HydrophobicContact CD1-CD1 4.14Å; S1786-I1788 VanDerWaalsContact C-N 3.34Å; S1786-I1788 WeakPolarHBondContact CB-O 3.34Å; S1786-I1788 PolarHBondContact OG-N 2.86Å; S1786-I1788 PolarHBondContact OG-O 3.09Å; I1788-I1790 VanDerWaalsContact CD1-O 3.28Å; I1788-I1790 WeakPolarHBondContact CD1-O 3.29Å; I1788-I1790 WeakPolarHBondContact CG1-O 3.38Å; I1788-P1792 HydrophobicContact CD1-CG 4.12Å; I1788-L1795 HydrophobicContact CD1-CD1 3.45Å; I1788-L1795 VanDerWaalsContact CD1-CD1 3.45Å; I1788-L1795 HydrophobicContact CD1-CG 4.36Å; I1788-L1795 HydrophobicContact CG2-CD1 4.39Å
1789C84Confident71.7Confident6 Ų629.9 Ų29.94%0.04116%0.16CC..SBendtrans-92.4-16.4170.965.70000114.3E1306 I1449 N1451 C1472E1306-C1789 HydrophobicContact CB-CB 4.49Å; I1449-C1789 HydrophobicContact CG2-CB 4.27Å; I1449-C1789 WeakPolarHBondContact O-CB 3.42Å; N1451-C1789 PolarHBondContact N-SG 2.93Å; N1451-C1789 VanDerWaalsContact N-SG 3.4Å; C1472-C1789 HydrophobicContact CB-CB 4.23Å; C1472-C1789 VanDerWaalsContact CB-SG 3.54Å; C1472-C1789 PolarHBondContact SG-N 3.15Å; C1472-C1789 VanDerWaalsContact SG-N 3.36Å
1790I68.3Low69.2Low5 Ų535.9 Ų35.93%0.02619%0.187CC..SBendtrans-88.8146.7177.4-52.6175000108.2I1788 R1794 L1795 L1834I1788-I1790 VanDerWaalsContact CD1-O 3.28Å; I1788-I1790 WeakPolarHBondContact CD1-O 3.29Å; I1788-I1790 WeakPolarHBondContact CG1-O 3.38Å; I1790-R1794 HydrophobicContact CG2-CB 3.92Å; I1790-L1795 HydrophobicContact CB-CD2 4.28Å; I1790-L1795 HydrophobicContact CG2-CD2 4.11Å; I1790-L1834 HydrophobicContact CD1-CD1 4.17Å
1791T63.6Low66.4Low32 Ų3239 Ų3920%0.19621%0.211CC..  trans-71.8144.2178.354.70000113.1E1793 R1794 L1795 H1865T1791-E1793 PolarHBondContact O-N 3.18Å; T1791-E1793 VanDerWaalsContact O-N 3.11Å; T1791-R1794 PolarHBondContact O-N 2.72Å; T1791-L1795 PolarHBondContact O-N 3.43Å; T1791-H1865 VanDerWaalsContact CG2-CE1 3.5Å; T1791-H1865 WeakPolarHBondContact CG2-CE1 3.29Å; T1791-H1865 WeakPolarHBondContact CG2-ND1 3.13Å; T1791-H1865 PolarHBondContact OG1-CE1 3.29Å; T1791-H1865 VanDerWaalsContact OG1-CE1 3.24Å; T1791-H1865 PolarHBondContact OG1-ND1 3.19Å
1792P58.9Low63.7Low61 Ų6148 Ų4840%0.39625%0.253SS..THydrogen-bonded Turntrans-56.8-27.5176.7-23.831.2000114.3I1788 R1794 L1795I1788-P1792 HydrophobicContact CD1-CG 4.12Å; P1792-R1794 VanDerWaalsContact C-N 3.29Å; P1792-R1794 PolarHBondContact O-N 3.48Å; P1792-L1795 PolarHBondContact O-N 2.93Å
1793E57.9Low60.6Low66 Ų6651.6 Ų51.631%0.30828%0.283SS..THydrogen-bonded Turntrans-66.8-29.8176.8-67.7174.6126.200112.9T1791 W1864 W1867T1791-E1793 PolarHBondContact O-N 3.18Å; T1791-E1793 VanDerWaalsContact O-N 3.11Å; E1793-W1864 HydrophobicContact CB-CH2 4.02Å; E1793-W1867 PolarHBondContact OE1-NE1 3.23Å
1794R59.4Low57.6Low13 Ų1358.3 Ų58.35%0.04932%0.319CS..THydrogen-bonded Turntrans-78.5-32171.7-83.2172.860.6-146.3-8.9112E1306 I1790 T1791 P1792 K1796 P1839 W1864E1306-R1794 IonicContact OE1-CZ 3.39Å; E1306-R1794 IonicContact OE1-NH1 3.71Å; E1306-R1794 PolarHBondContact OE1-NH1 3.07Å; E1306-R1794 IonicContact OE1-NH2 3.91Å; E1306-R1794 PolarHBondContact OE1-NH2 3.46Å; E1306-R1794 IonicContact OE2-CZ 3.98Å; E1306-R1794 IonicContact OE2-NH1 2.69Å; E1306-R1794 PolarHBondContact OE2-NH1 3.33Å; I1790-R1794 HydrophobicContact CG2-CB 3.92Å; T1791-R1794 PolarHBondContact O-N 2.72Å; P1792-R1794 VanDerWaalsContact C-N 3.29Å; P1792-R1794 PolarHBondContact O-N 3.48Å; R1794-K1796 PolarHBondContact O-N 2.91Å; R1794-K1796 VanDerWaalsContact O-N 3.16Å; R1794-P1839 HydrophobicContact CB-CG 3.9Å; R1794-P1839 HydrophobicContact CG-CG 4.48Å; R1794-P1839 WeakPolarHBondContact O-CD 3.28Å; R1794-P1839 WeakPolarHBondContact O-CG 3.42Å; R1794-W1864 HydrophobicContact CG-CH2 3.69Å; R1794-W1864 HydrophobicContact CG-CZ3 3.88Å
1795L52.5Low54.8Low4 Ų464.2 Ų64.22%0.02135%0.35CS..SBendtrans-67-11177.8-58.9-169.6000114.7V1474 I1595 H1596 I1788 I1790 T1791 P1792 S1797 L1838V1474-L1795 HydrophobicContact CG1-CD2 4.39Å; I1595-L1795 HydrophobicContact CG2-CD1 4.46Å; H1596-L1795 PolarHBondContact CE1-O 3.26Å; H1596-L1795 PolarHBondContact ND1-O 2.96Å; H1596-L1795 VanDerWaalsContact ND1-O 3.17Å; I1788-L1795 HydrophobicContact CD1-CD1 3.45Å; I1788-L1795 VanDerWaalsContact CD1-CD1 3.45Å; I1788-L1795 HydrophobicContact CD1-CG 4.36Å; I1788-L1795 HydrophobicContact CG2-CD1 4.39Å; I1790-L1795 HydrophobicContact CB-CD2 4.28Å; I1790-L1795 HydrophobicContact CG2-CD2 4.11Å; T1791-L1795 PolarHBondContact O-N 3.43Å; P1792-L1795 PolarHBondContact O-N 2.93Å; L1795-S1797 PolarHBondContact O-N 2.68Å; L1795-L1838 HydrophobicContact CD2-CD2 3.58Å
1796K50.5Low52.2Low115 Ų11572.9 Ų72.950%0.539%0.391SS..SBendtrans-62.8125.1176.3-67.4172.1-175.6166.80109.4R1794 L1798R1794-K1796 PolarHBondContact O-N 2.91Å; R1794-K1796 VanDerWaalsContact O-N 3.16Å; K1796-L1798 PolarHBondContact O-N 3.03Å; K1796-L1798 VanDerWaalsContact O-N 3.12Å
1797S41.4Very low49.9Very low59 Ų5975.9 Ų75.941%0.41341%0.412SS..  trans-51.3122165.253.40000108.2L1795 D1799L1795-S1797 PolarHBondContact O-N 2.68Å; S1797-D1799 PolarHBondContact O-N 2.67Å
1798L38.6Very low47.6Very low99 Ų9980.8 Ų80.852%0.51844%0.437SS..  trans-81.2104.4170-172.9121.3000106.7K1796 H1800 R1849K1796-L1798 PolarHBondContact O-N 3.03Å; K1796-L1798 VanDerWaalsContact O-N 3.12Å; L1798-H1800 WeakPolarHBondContact CD2-NE2 3.4Å; L1798-H1800 PolarHBondContact O-N 3.29Å; L1798-R1849 VanDerWaalsContact CD1-NH1 3.27Å
1799D34.4Very low45.9Very low128 Ų12883.8 Ų83.868%0.68446%0.456SS*.  trans-61.879.6178.8-64.3-16.8000110.6S1797 S1801S1797-D1799 PolarHBondContact O-N 2.67Å; D1799-S1801 PolarHBondContact O-N 2.82Å
1800H38.2Very low44.2Very low126 Ų12686.5 Ų86.558%0.58347%0.471SS*.  trans-67.386.1161.6-86.9-59.9000107.7L1798 E1802 R1849L1798-H1800 WeakPolarHBondContact CD2-NE2 3.4Å; L1798-H1800 PolarHBondContact O-N 3.29Å; H1800-E1802 PolarHBondContact O-N 2.76Å; H1800-R1849 PolarHBondContact CE1-NH2 3.39Å; H1800-R1849 VanDerWaalsContact CE1-NH2 3.34Å; H1800-R1849 PolarHBondContact NE2-NH2 2.91Å
1801S29.7Very low43.1Very low79 Ų7989.7 Ų89.755%0.55249%0.487SS*.  trans-53.4131.1163.664.40000108.8D1799 A1803D1799-S1801 PolarHBondContact O-N 2.82Å; S1801-A1803 PolarHBondContact O-N 3.47Å
1802E31Very low43Very low200 Ų20091.3 Ų91.394%0.93549%0.491SS*.  trans-70.878.9-175.9-65.3177.3130.400110.2H1800H1800-E1802 PolarHBondContact O-N 2.76Å
1803A27.3Very low43.3Very low77 Ų7789.1 Ų89.164%0.63648%0.476SS*.  trans-108.880.9-174.900000110.7S1801S1801-A1803 PolarHBondContact O-N 3.47Å
1804N26.9Very low43.6Very low142 Ų14290.5 Ų90.576%0.75949%0.486SS*.SBendtrans54.8102.2161.9-55.7-18.4000117.1
1805N31.8Very low43.9Very low126 Ų12691.3 Ų91.367%0.67449%0.491SS*.  -179.9148.9113.4-87.4-26.8000111.9S1807N1805-S1807 PolarHBondContact O-N 3.48Å
1806Q37.3Very low44.9Very low183 Ų18391.3 Ų91.386%0.85549%0.491SS*.THydrogen-bonded Turntrans-59.2-11.7-177.1-123.379.9-4.500115.8
1807S39.9Very low45.9Very low68 Ų6887.9 Ų87.948%0.47648%0.479SS..THydrogen-bonded Turntrans-96.8-6-164.154.70000116.4N1805N1805-S1807 PolarHBondContact O-N 3.48Å
1808I41.8Very low47.3Very low104 Ų10488.4 Ų88.453%0.53348%0.483SS..Hα-helixtrans-75.9-35.2-178.3-60.8178.8000114.1D1810I1808-D1810 VanDerWaalsContact C-N 3.34Å; I1808-D1810 PolarHBondContact O-N 3.14Å
1809P49.7Very low48.8Very low66 Ų6684.7 Ų84.743%0.42946%0.464SS..Hα-helixtrans-56.3-45.4177.5-27.636.8000113.1Y1501 I1811 K1812 L1813Y1501-P1809 WeakPolarHBondContact OH-CB 3.48Å; P1809-I1811 VanDerWaalsContact C-N 3.33Å; P1809-I1811 PolarHBondContact O-N 3.32Å; P1809-K1812 WeakPolarHBondContact O-CB 3.49Å; P1809-K1812 PolarHBondContact O-N 3.3Å; P1809-L1813 PolarHBondContact O-N 3.03Å
1810D48.6Very low50.9Low63 Ų6378.6 Ų78.634%0.33743%0.431SS..Hα-helixtrans-69.2-29.6-170.5-56-31.2000112.8Y1501 I1808 L1813 N1814Y1501-D1810 PolarHBondContact OH-OD1 3.43Å; I1808-D1810 VanDerWaalsContact C-N 3.34Å; I1808-D1810 PolarHBondContact O-N 3.14Å; D1810-L1813 PolarHBondContact O-N 2.74Å; D1810-N1814 VanDerWaalsContact O-CB 3.3Å; D1810-N1814 WeakPolarHBondContact O-CB 3.38Å; D1810-N1814 PolarHBondContact O-N 3.09Å; D1810-N1814 PolarHBondContact O-ND2 3.21Å
1811I46.5Very low52.2Low73 Ų7375 Ų7537%0.37443%0.428SS..Hα-helixtrans-65.9-42.8175.6-60.5174.3000110.5L1517 V1522 P1809 L1815L1517-I1811 HydrophobicContact CD2-CD1 4.15Å; V1522-I1811 HydrophobicContact CG1-CG2 4.15Å; V1522-I1811 HydrophobicContact CG2-CG2 4.48Å; P1809-I1811 VanDerWaalsContact C-N 3.33Å; P1809-I1811 PolarHBondContact O-N 3.32Å; I1811-L1815 PolarHBondContact O-N 2.93Å
1812K61.5Low53.7Low65 Ų6572.7 Ų72.728%0.28341%0.412SS..Hα-helixtrans-65.2-44.1172.5-70.6177.4177.2172.80110.9A1530 D1533 P1809 N1814 L1815 L1816A1530-K1812 HydrophobicContact CB-CB 4.08Å; A1530-K1812 HydrophobicContact CB-CD 4.29Å; A1530-K1812 HydrophobicContact CB-CG 4.34Å; D1533-K1812 IonicContact OD2-NZ 3.74Å; D1533-K1812 PolarHBondContact OD2-NZ 2.93Å; P1809-K1812 WeakPolarHBondContact O-CB 3.49Å; P1809-K1812 PolarHBondContact O-N 3.3Å; K1812-N1814 PolarHBondContact O-N 2.82Å; K1812-L1815 WeakPolarHBondContact O-CB 3.33Å; K1812-L1815 PolarHBondContact O-N 3.31Å; K1812-L1816 WeakPolarHBondContact O-CG 3.4Å; K1812-L1816 PolarHBondContact O-N 2.93Å
1813L64.6Low54.5Low15 Ų1572.9 Ų72.98%0.07941%0.41CS..Hα-helixtrans-66.2-35.9-177.5-163.4107.7000112.8L1498 Y1501 Q1502 L1534 P1809 D1810 L1815 L1816 T1817L1498-L1813 HydrophobicContact CD2-CD1 3.7Å; L1498-L1813 HydrophobicContact CD2-CG 3.79Å; Y1501-L1813 HydrophobicContact CD1-CD1 3.41Å; Y1501-L1813 VanDerWaalsContact CD1-CD1 3.41Å; Y1501-L1813 HydrophobicContact CD1-CD2 3.32Å; Y1501-L1813 HydrophobicContact CD1-CG 3.94Å; Y1501-L1813 HydrophobicContact CD2-CD1 3.69Å; Y1501-L1813 HydrophobicContact CE1-CB 4.47Å; Y1501-L1813 HydrophobicContact CE1-CD1 3.7Å; Y1501-L1813 HydrophobicContact CE1-CD2 3.53Å; Y1501-L1813 HydrophobicContact CE1-CG 4.05Å; Y1501-L1813 HydrophobicContact CE2-CD1 3.95Å; Y1501-L1813 HydrophobicContact CG-CD1 3.41Å; Y1501-L1813 VanDerWaalsContact CG-CD1 3.41Å; Y1501-L1813 HydrophobicContact CG-CD2 4.16Å; Y1501-L1813 HydrophobicContact CG-CG 4.4Å; Q1502-L1813 HydrophobicContact CG-CD2 4.35Å; L1534-L1813 HydrophobicContact CD1-CD1 3.99Å; P1809-L1813 PolarHBondContact O-N 3.03Å; D1810-L1813 PolarHBondContact O-N 2.74Å; L1813-L1815 VanDerWaalsContact C-N 3.33Å; L1813-L1815 PolarHBondContact O-N 2.9Å; L1813-L1816 PolarHBondContact O-N 2.75Å; L1813-T1817 VanDerWaalsContact O-CB 3.31Å; L1813-T1817 WeakPolarHBondContact O-CB 3.4Å; L1813-T1817 PolarHBondContact O-N 2.89Å; L1813-T1817 PolarHBondContact O-OG1 3.34Å
1814N63.2Low55.8Low95 Ų9574.7 Ų74.751%0.50841%0.409SS..Hα-helixtrans-63.9-37.6174.2-77.4-37.4000111.6D1810 K1812 T1817 S1818D1810-N1814 VanDerWaalsContact O-CB 3.3Å; D1810-N1814 WeakPolarHBondContact O-CB 3.38Å; D1810-N1814 PolarHBondContact O-N 3.09Å; D1810-N1814 PolarHBondContact O-ND2 3.21Å; K1812-N1814 PolarHBondContact O-N 2.82Å; N1814-T1817 PolarHBondContact O-N 3.47Å; N1814-S1818 PolarHBondContact O-N 2.88Å
1815L66.9Low57.1Low31 Ų3173.2 Ų73.216%0.16240%0.396CS..Hα-helixtrans-66.2-45172.2-173.863.4000112.1V1522 I1811 K1812 L1813 T1817 S1818 I1819V1522-L1815 HydrophobicContact CG1-CB 3.8Å; V1522-L1815 HydrophobicContact CG1-CD1 4.33Å; V1522-L1815 HydrophobicContact CG1-CG 4.42Å; I1811-L1815 PolarHBondContact O-N 2.93Å; K1812-L1815 WeakPolarHBondContact O-CB 3.33Å; K1812-L1815 PolarHBondContact O-N 3.31Å; L1813-L1815 VanDerWaalsContact C-N 3.33Å; L1813-L1815 PolarHBondContact O-N 2.9Å; L1815-T1817 VanDerWaalsContact C-N 3.29Å; L1815-T1817 PolarHBondContact O-N 2.88Å; L1815-S1818 WeakPolarHBondContact O-CB 3.49Å; L1815-S1818 PolarHBondContact O-N 2.94Å; L1815-S1818 VanDerWaalsContact O-N 3.14Å; L1815-I1819 HydrophobicContact CD1-CD1 4.18Å; L1815-I1819 HydrophobicContact CD1-CG1 4.37Å; L1815-I1819 HydrophobicContact CD2-CD1 4.33Å; L1815-I1819 HydrophobicContact CG-CD1 3.85Å; L1815-I1819 HydrophobicContact CG-CG1 4.41Å; L1815-I1819 WeakPolarHBondContact O-CG1 3.31Å; L1815-I1819 PolarHBondContact O-N 3.24Å
1816L73Confident58.1Low4 Ų471.1 Ų71.12%0.02140%0.404CS..Hα-helixtrans-60.3-41.6174.9-66.1177.4000111.1L1498 A1530 V1531 L1534 K1812 L1813 S1818 I1819 Y1820L1498-L1816 HydrophobicContact CD1-CB 4.1Å; L1498-L1816 HydrophobicContact CD2-CB 3.8Å; L1498-L1816 HydrophobicContact CD2-CD1 4.36Å; A1530-L1816 HydrophobicContact CB-CD1 4.01Å; A1530-L1816 HydrophobicContact CB-CD2 4.05Å; A1530-L1816 HydrophobicContact CB-CG 4.08Å; V1531-L1816 HydrophobicContact CG2-CD2 3.62Å; L1534-L1816 HydrophobicContact CB-CD1 4.28Å; L1534-L1816 HydrophobicContact CD2-CD1 4.09Å; K1812-L1816 WeakPolarHBondContact O-CG 3.4Å; K1812-L1816 PolarHBondContact O-N 2.93Å; L1813-L1816 PolarHBondContact O-N 2.75Å; L1816-S1818 VanDerWaalsContact C-N 3.28Å; L1816-S1818 PolarHBondContact O-N 3.47Å; L1816-I1819 PolarHBondContact O-N 3.43Å; L1816-Y1820 HydrophobicContact CB-CD2 4.38Å; L1816-Y1820 HydrophobicContact CD2-CD2 4.16Å; L1816-Y1820 HydrophobicContact CD2-CE2 3.78Å; L1816-Y1820 WeakPolarHBondContact O-CB 3.3Å; L1816-Y1820 WeakPolarHBondContact O-CD2 3.48Å; L1816-Y1820 PolarHBondContact O-N 3.02Å
1817T72.4Confident58.6Low42 Ų4268.3 Ų68.326%0.25839%0.391SS..Hα-helixtrans-63.5-33.9175.6-56.70000111.6Q1502 L1813 N1814 L1815 G1821Q1502-T1817 PolarHBondContact NE2-OG1 3.12Å; L1813-T1817 VanDerWaalsContact O-CB 3.31Å; L1813-T1817 WeakPolarHBondContact O-CB 3.4Å; L1813-T1817 PolarHBondContact O-N 2.89Å; L1813-T1817 PolarHBondContact O-OG1 3.34Å; N1814-T1817 PolarHBondContact O-N 3.47Å; L1815-T1817 VanDerWaalsContact C-N 3.29Å; L1815-T1817 PolarHBondContact O-N 2.88Å; T1817-G1821 WeakPolarHBondContact O-CA 3.46Å; T1817-G1821 PolarHBondContact O-N 3.26Å
1818S69.5Low59.2Low71 Ų7166.1 Ų66.150%0.49737%0.373SS..Hα-helixtrans-68.6-54172.2-171.60000112.1N1814 L1815 L1816 S1822N1814-S1818 PolarHBondContact O-N 2.88Å; L1815-S1818 WeakPolarHBondContact O-CB 3.49Å; L1815-S1818 PolarHBondContact O-N 2.94Å; L1815-S1818 VanDerWaalsContact O-N 3.14Å; L1816-S1818 VanDerWaalsContact C-N 3.28Å; L1816-S1818 PolarHBondContact O-N 3.47Å; S1818-S1822 PolarHBondContact O-N 2.9Å
1819I71.5Confident59.6Low20 Ų2062.8 Ų62.810%0.10336%0.358CS..Hα-helixtrans-61.8-50.5-177.5-66.6170.5000111.3L1815 L1816 F1828 P1829L1815-I1819 HydrophobicContact CD1-CD1 4.18Å; L1815-I1819 HydrophobicContact CD1-CG1 4.37Å; L1815-I1819 HydrophobicContact CD2-CD1 4.33Å; L1815-I1819 HydrophobicContact CG-CD1 3.85Å; L1815-I1819 HydrophobicContact CG-CG1 4.41Å; L1815-I1819 WeakPolarHBondContact O-CG1 3.31Å; L1815-I1819 PolarHBondContact O-N 3.24Å; L1816-I1819 PolarHBondContact O-N 3.43Å; I1819-F1828 HydrophobicContact CG2-CD2 3.66Å; I1819-F1828 HydrophobicContact CG2-CE2 3.59Å; I1819-F1828 HydrophobicContact CG2-CG 4.45Å; I1819-F1828 HydrophobicContact CG2-CZ 4.34Å; I1819-P1829 HydrophobicContact CD1-CG 4.39Å
1820Y77.8Confident59.2Low0 Ų064.4 Ų64.40%037%0.371CS..Hα-helixtrans-92.2-18.3-174.4-64.8-92.1000112.9R1491 I1494 K1495 V1531 L1816 F1828R1491-Y1820 HydrophobicContact CB-CD1 4.27Å; R1491-Y1820 HydrophobicContact CB-CE1 4.39Å; R1491-Y1820 HydrophobicContact CG-CD1 3.95Å; R1491-Y1820 HydrophobicContact CG-CE1 4.49Å; I1494-Y1820 HydrophobicContact CB-CD1 3.92Å; I1494-Y1820 HydrophobicContact CB-CE1 4.03Å; I1494-Y1820 HydrophobicContact CB-CG 4.36Å; I1494-Y1820 HydrophobicContact CD1-CD1 4.37Å; I1494-Y1820 HydrophobicContact CD1-CE1 3.6Å; I1494-Y1820 HydrophobicContact CG1-CE1 4.42Å; I1494-Y1820 HydrophobicContact CG2-CD1 3.67Å; I1494-Y1820 HydrophobicContact CG2-CD2 3.77Å; I1494-Y1820 HydrophobicContact CG2-CE1 3.9Å; I1494-Y1820 HydrophobicContact CG2-CE2 3.99Å; I1494-Y1820 HydrophobicContact CG2-CG 3.62Å; K1495-Y1820 WeakPolarHBondContact CE-O 3.5Å; K1495-Y1820 WeakPolarHBondContact CG-O 3.41Å; K1495-Y1820 PolarHBondContact NZ-O 3.33Å; V1531-Y1820 HydrophobicContact CG2-CE2 4.09Å; L1816-Y1820 HydrophobicContact CB-CD2 4.38Å; L1816-Y1820 HydrophobicContact CD2-CD2 4.16Å; L1816-Y1820 HydrophobicContact CD2-CE2 3.78Å; L1816-Y1820 WeakPolarHBondContact O-CB 3.3Å; L1816-Y1820 WeakPolarHBondContact O-CD2 3.48Å; L1816-Y1820 PolarHBondContact O-N 3.02Å; Y1820-F1828 HydrophobicContact CD1-CE2 4.41Å; Y1820-F1828 AromaticContact CE1-CE2 3.81Å; Y1820-F1828 HydrophobicContact CE1-CE2 3.81Å; Y1820-F1828 AromaticContact CE1-CZ 3.96Å; Y1820-F1828 HydrophobicContact CE1-CZ 3.96Å; Y1820-F1828 HydrophobicContact CE2-CE2 4.48Å; Y1820-F1828 AromaticContact CZ-CE2 3.87Å; Y1820-F1828 AromaticContact CZ-CZ 3.72Å; Y1820-F1828 WeakPolarHBondContact OH-CZ 3.36Å
1821G65.5Low58.9Low51 Ų5164.8 Ų64.853%0.52638%0.376SS..Hα-helixtrans-72.6-31.917300000113T1817T1817-G1821 WeakPolarHBondContact O-CA 3.46Å; T1817-G1821 PolarHBondContact O-N 3.26Å
1822S60.3Low58.6Low31 Ų3162.6 Ų62.622%0.21737%0.367CS..  trans-55146.8175-169.10000112.4K1495 S1818 N1824 Q1827K1495-S1822 PolarHBondContact NZ-O 3.11Å; S1818-S1822 PolarHBondContact O-N 2.9Å; S1822-N1824 PolarHBondContact OG-N 3Å; S1822-Q1827 PolarHBondContact OG-OE1 3.35Å
1823K49Very low57.5Low203 Ų20360.2 Ų60.288%0.88336%0.357SS*.SBendtrans-83.8-14.6168-71.6-172.7176.8-178.10112K1825K1823-K1825 PolarHBondContact O-N 2.76Å
1824N54.2Low56.4Low116 Ų11659.8 Ų59.862%0.6236%0.355SS*.  trans-92.2101.8-173.1-68.8-11.3000111.7S1822 G1826 Q1827S1822-N1824 PolarHBondContact OG-N 3Å; N1824-G1826 PolarHBondContact O-N 3.39Å; N1824-G1826 VanDerWaalsContact O-N 3.08Å; N1824-Q1827 WeakPolarHBondContact O-CB 3.42Å; N1824-Q1827 PolarHBondContact O-N 2.96Å; N1824-Q1827 VanDerWaalsContact O-N 3.07Å
1825K54.5Low55.3Low111 Ų11155.3 Ų55.348%0.48333%0.331SS..G310 helixtrans-51.7-32.3176.1-61.3-172.8-178-171.10113.8D1488 K1823 Q1827 F1828D1488-K1825 WeakPolarHBondContact OD1-CE 3.39Å; D1488-K1825 IonicContact OD1-NZ 2.84Å; D1488-K1825 PolarHBondContact OD1-NZ 2.85Å; D1488-K1825 IonicContact OD2-NZ 2.7Å; D1488-K1825 PolarHBondContact OD2-NZ 3.32Å; K1823-K1825 PolarHBondContact O-N 2.76Å; K1825-Q1827 PolarHBondContact O-N 2.76Å; K1825-F1828 PolarHBondContact O-N 2.93Å
1826G51.5Low54.4Low82 Ų8254.7 Ų54.785%0.84533%0.328SS*.G310 helixtrans-71-2.1-179.200000115.5N1824N1824-G1826 PolarHBondContact O-N 3.39Å; N1824-G1826 VanDerWaalsContact O-N 3.08Å
1827Q49.8Very low52.9Low124 Ų12458.8 Ų58.858%0.57935%0.35SS*.G310 helixtrans-93.23.8178.1-150.6166.113.600113.2S1822 N1824 K1825S1822-Q1827 PolarHBondContact OG-OE1 3.35Å; N1824-Q1827 WeakPolarHBondContact O-CB 3.42Å; N1824-Q1827 PolarHBondContact O-N 2.96Å; N1824-Q1827 VanDerWaalsContact O-N 3.07Å; K1825-Q1827 PolarHBondContact O-N 2.76Å
1828F51.8Low51.5Low22 Ų2256.9 Ų56.910%0.09634%0.338CS..SBendtrans-66.3132.6171.6-130-104.3000110.2L1482 L1485 N1486 I1819 Y1820 K1825 S1830L1482-F1828 HydrophobicContact CD1-CD1 4.12Å; L1482-F1828 HydrophobicContact CD1-CE1 3.65Å; L1482-F1828 HydrophobicContact CG-CD1 4.08Å; L1482-F1828 HydrophobicContact CG-CE1 3.9Å; L1482-F1828 WeakPolarHBondContact O-CE1 3.4Å; L1485-F1828 HydrophobicContact CB-CZ 4.35Å; N1486-F1828 HydrophobicContact CB-CD1 3.92Å; N1486-F1828 HydrophobicContact CB-CD2 4.24Å; N1486-F1828 HydrophobicContact CB-CE1 3.73Å; N1486-F1828 HydrophobicContact CB-CE2 4.07Å; N1486-F1828 HydrophobicContact CB-CG 4.15Å; N1486-F1828 HydrophobicContact CB-CZ 3.8Å; N1486-F1828 WeakPolarHBondContact ND2-CB 3.3Å; N1486-F1828 WeakPolarHBondContact ND2-CG 3.22Å; N1486-F1828 WeakPolarHBondContact OD1-CD2 3.5Å; I1819-F1828 HydrophobicContact CG2-CD2 3.66Å; I1819-F1828 HydrophobicContact CG2-CE2 3.59Å; I1819-F1828 HydrophobicContact CG2-CG 4.45Å; I1819-F1828 HydrophobicContact CG2-CZ 4.34Å; Y1820-F1828 HydrophobicContact CD1-CE2 4.41Å; Y1820-F1828 AromaticContact CE1-CE2 3.81Å; Y1820-F1828 HydrophobicContact CE1-CE2 3.81Å; Y1820-F1828 AromaticContact CE1-CZ 3.96Å; Y1820-F1828 HydrophobicContact CE1-CZ 3.96Å; Y1820-F1828 HydrophobicContact CE2-CE2 4.48Å; Y1820-F1828 AromaticContact CZ-CE2 3.87Å; Y1820-F1828 AromaticContact CZ-CZ 3.72Å; Y1820-F1828 WeakPolarHBondContact OH-CZ 3.36Å; K1825-F1828 PolarHBondContact O-N 2.93Å; F1828-S1830 PolarHBondContact O-N 3.38Å
1829P50.5Low50.1Low33 Ų3355.5 Ų55.521%0.21433%0.327CS..  trans-74.190.7-170.627.8-34.3000112.3L1482 I1819 T1831 L1833L1482-P1829 WeakPolarHBondContact CD2-O 3.32Å; I1819-P1829 HydrophobicContact CD1-CG 4.39Å; P1829-T1831 VanDerWaalsContact C-N 3.28Å; P1829-T1831 PolarHBondContact O-N 3.07Å; P1829-L1833 HydrophobicContact CB-CD1 4.3Å; P1829-L1833 HydrophobicContact CG-CD1 3.54Å; P1829-L1833 HydrophobicContact CG-CG 4.17Å
1830S40.8Very low48.7Very low101 Ų10155 Ų5571%0.70633%0.325SS*.THydrogen-bonded Turntrans-59.2-20.5-164.145.60000117.5F1828F1828-S1830 PolarHBondContact O-N 3.38Å
1831T41.8Very low47Very low71 Ų7155.5 Ų55.544%0.43633%0.327SS..THydrogen-bonded Turntrans-135-1.9-176.552.30000115P1829P1829-T1831 VanDerWaalsContact C-N 3.28Å; P1829-T1831 PolarHBondContact O-N 3.07Å
1832S41.5Very low45.7Very low26 Ų2653.8 Ų53.818%0.18231%0.306CS..THydrogen-bonded Turntrans-108.4-12.3-152.5-82.20000117.8N1840 N1842S1832-N1840 PolarHBondContact O-OD1 3.18Å; S1832-N1840 VanDerWaalsContact O-OD1 3.07Å; S1832-N1842 WeakPolarHBondContact CB-ND2 3.3Å; S1832-N1842 PolarHBondContact OG-ND2 3.34Å; S1832-N1842 PolarHBondContact OG-OD1 3.22Å
1833L37.7Very low44.9Very low15 Ų1553.5 Ų53.58%0.07930%0.302CS..  trans-127.8117.4-168.7-64179.1000112.4S1525 C1527 P1829S1525-L1833 VanDerWaalsContact O-CD2 3.27Å; S1525-L1833 WeakPolarHBondContact O-CD2 3.49Å; C1527-L1833 HydrophobicContact CB-CB 4.23Å; C1527-L1833 HydrophobicContact CB-CD1 3.48Å; C1527-L1833 VanDerWaalsContact CB-CD1 3.48Å; C1527-L1833 HydrophobicContact CB-CG 4.49Å; P1829-L1833 HydrophobicContact CB-CD1 4.3Å; P1829-L1833 HydrophobicContact CG-CD1 3.54Å; P1829-L1833 HydrophobicContact CG-CG 4.17Å
1834L40.5Very low44.8Very low6 Ų644.2 Ų44.23%0.03126%0.262CS..  trans-85.9169.4177.2-77.8-168.7000113.3S1478 N1526 I1790 L1838 I1841S1478-L1834 VanDerWaalsContact CB-CD2 3.47Å; S1478-L1834 VanDerWaalsContact OG-CA 3.3Å; S1478-L1834 WeakPolarHBondContact OG-CA 3.25Å; S1478-L1834 WeakPolarHBondContact OG-CD2 3.35Å; N1526-L1834 WeakPolarHBondContact CB-O 3.22Å; N1526-L1834 VanDerWaalsContact CG-O 3.25Å; I1790-L1834 HydrophobicContact CD1-CD1 4.17Å; L1834-L1838 HydrophobicContact CB-CB 4.03Å; L1834-L1838 HydrophobicContact CD1-CB 3.93Å; L1834-L1838 HydrophobicContact CD1-CD1 4.42Å; L1834-I1841 HydrophobicContact CD1-CD1 3.86Å; L1834-I1841 HydrophobicContact CD1-CG1 3.71Å; L1834-I1841 HydrophobicContact CD2-CD1 3.78Å; L1834-I1841 HydrophobicContact CD2-CG1 4.47Å; L1834-I1841 HydrophobicContact CG-CD1 3.73Å; L1834-I1841 HydrophobicContact CG-CG1 3.87Å
1835L41.7Very low44.3Very low1 Ų140 Ų401%0.00524%0.238CC..  trans-83178-177-136.889.6000114.1S1478 L1481 N1526 C1528 F1585 I1588 L1592 D1837 L1838S1478-L1835 PolarHBondContact OG-N 3.06Å; L1481-L1835 HydrophobicContact CB-CD1 3.61Å; L1481-L1835 HydrophobicContact CD1-CD1 3.38Å; L1481-L1835 HydrophobicContact CD1-CD2 3.35Å; L1481-L1835 HydrophobicContact CD1-CG 3.96Å; L1481-L1835 HydrophobicContact CG-CD1 4.13Å; N1526-L1835 PolarHBondContact ND2-O 3.47Å; C1528-L1835 HydrophobicContact CB-CD1 3.32Å; C1528-L1835 HydrophobicContact CB-CG 3.91Å; C1528-L1835 VanDerWaalsContact SG-CD1 3.59Å; F1585-L1835 HydrophobicContact CE1-CD1 4.45Å; I1588-L1835 HydrophobicContact CG2-CD2 4.07Å; L1592-L1835 HydrophobicContact CD1-CB 4.49Å; L1592-L1835 HydrophobicContact CD1-CD2 4.17Å; L1835-D1837 PolarHBondContact O-N 2.92Å; L1835-D1837 VanDerWaalsContact O-N 3.12Å; L1835-L1838 HydrophobicContact CB-CD1 4.32Å; L1835-L1838 PolarHBondContact O-N 3.21Å; L1835-L1838 VanDerWaalsContact O-N 3.15Å
1836L46.1Very low43.7Very low19 Ų1935.1 Ų35.110%0.09922%0.22CC..THydrogen-bonded Turntrans-12.2102.8162-57.3175.3000113.5K1529 Y1532 F1585 L1838K1529-L1836 HydrophobicContact CD-CD2 3.96Å; Y1532-L1836 HydrophobicContact CD1-CD2 3.93Å; Y1532-L1836 HydrophobicContact CD2-CD2 4.29Å; Y1532-L1836 HydrophobicContact CE1-CD2 4.41Å; Y1532-L1836 HydrophobicContact CG-CD2 3.86Å; F1585-L1836 HydrophobicContact CB-CD1 4.45Å; L1836-L1838 PolarHBondContact O-N 3.29Å
1837D43.5Very low43.1Very low90 Ų9032.4 Ų32.448%0.48119%0.185SC..THydrogen-bonded Turntrans56.610.8169.6-45.5-32.2000117.7L1835L1835-D1837 PolarHBondContact O-N 2.92Å; L1835-D1837 VanDerWaalsContact O-N 3.12Å
1838L42.5Very low42.6Very low2 Ų228.8 Ų28.81%0.0118%0.181CC..PPolyproline II helixtrans-80.9136.6165.7-65.3166.9000110.2V1474 N1526 L1592 L1795 L1834 L1835 L1836 N1840V1474-L1838 HydrophobicContact CG1-CD1 3.56Å; V1474-L1838 HydrophobicContact CG1-CD2 3.93Å; V1474-L1838 HydrophobicContact CG1-CG 4.42Å; N1526-L1838 PolarHBondContact ND2-O 3.39Å; L1592-L1838 HydrophobicContact CD1-CD1 3.93Å; L1592-L1838 HydrophobicContact CD2-CD1 4.31Å; L1795-L1838 HydrophobicContact CD2-CD2 3.58Å; L1834-L1838 HydrophobicContact CB-CB 4.03Å; L1834-L1838 HydrophobicContact CD1-CB 3.93Å; L1834-L1838 HydrophobicContact CD1-CD1 4.42Å; L1835-L1838 HydrophobicContact CB-CD1 4.32Å; L1835-L1838 PolarHBondContact O-N 3.21Å; L1835-L1838 VanDerWaalsContact O-N 3.15Å; L1836-L1838 PolarHBondContact O-N 3.29Å; L1838-N1840 PolarHBondContact O-N 3.42Å
1839P38.8Very low42Very low42 Ų4234.3 Ų34.327%0.27320%0.201SC..PPolyproline II helixtrans-68.4134.317929-35.7000110.6R1794 I1841R1794-P1839 HydrophobicContact CB-CG 3.9Å; R1794-P1839 HydrophobicContact CG-CG 4.48Å; R1794-P1839 WeakPolarHBondContact O-CD 3.28Å; R1794-P1839 WeakPolarHBondContact O-CG 3.42Å; P1839-I1841 PolarHBondContact O-N 3.11Å
1840N42.5Very low41.8Very low9 Ų936.1 Ų36.15%0.04821%0.209CC..PPolyproline II helixtrans-51.3128178.3-175-22.5000111.2K1524 S1832 L1838 N1842 D1843K1524-N1840 VanDerWaalsContact C-ND2 3.3Å; K1524-N1840 WeakPolarHBondContact CA-ND2 3.35Å; K1524-N1840 PolarHBondContact O-ND2 2.95Å; S1832-N1840 PolarHBondContact O-OD1 3.18Å; S1832-N1840 VanDerWaalsContact O-OD1 3.07Å; L1838-N1840 PolarHBondContact O-N 3.42Å; N1840-N1842 PolarHBondContact O-N 3Å; N1840-N1842 WeakPolarHBondContact OD1-CB 3.41Å; N1840-N1842 PolarHBondContact OD1-N 3.45Å; N1840-D1843 HydrophobicContact CB-CB 4.14Å; N1840-D1843 CarbonylContact O-C 3.59Å; N1840-D1843 PolarHBondContact O-N 3.4Å
1841I42Very low42.5Very low10 Ų1039.2 Ų39.25%0.05122%0.217CC..G310 helixtrans-59.3-30.6179.4-72.7166.8000111.4W1308 L1834 P1839 D1843 V1844W1308-I1841 HydrophobicContact CB-CG2 3.87Å; W1308-I1841 WeakPolarHBondContact CB-O 3.38Å; L1834-I1841 HydrophobicContact CD1-CD1 3.86Å; L1834-I1841 HydrophobicContact CD1-CG1 3.71Å; L1834-I1841 HydrophobicContact CD2-CD1 3.78Å; L1834-I1841 HydrophobicContact CD2-CG1 4.47Å; L1834-I1841 HydrophobicContact CG-CD1 3.73Å; L1834-I1841 HydrophobicContact CG-CG1 3.87Å; P1839-I1841 PolarHBondContact O-N 3.11Å; I1841-D1843 VanDerWaalsContact C-N 3.26Å; I1841-D1843 PolarHBondContact O-N 2.97Å; I1841-V1844 VanDerWaalsContact O-CG2 3.25Å; I1841-V1844 WeakPolarHBondContact O-CG2 3.48Å
1842N39.2Very low43.5Very low16 Ų1637.2 Ų37.29%0.08620%0.204CC..G310 helixtrans-77-7.6176.7-61.7-7.8000113.6I1311 S1832 N1840I1311-N1842 HydrophobicContact CD1-CB 3.78Å; I1311-N1842 HydrophobicContact CG1-CB 4.08Å; S1832-N1842 WeakPolarHBondContact CB-ND2 3.3Å; S1832-N1842 PolarHBondContact OG-ND2 3.34Å; S1832-N1842 PolarHBondContact OG-OD1 3.22Å; N1840-N1842 PolarHBondContact O-N 3Å; N1840-N1842 WeakPolarHBondContact OD1-CB 3.41Å; N1840-N1842 PolarHBondContact OD1-N 3.45Å
1843D43.5Very low44.7Very low25 Ų2541.5 Ų41.513%0.13422%0.221CC..G310 helixtrans-128.948.1-173.1-154.125.9000110.8K1524 N1840 I1841 F1845 G1846 Q1847 G1848K1524-D1843 WeakPolarHBondContact CD-OD2 3.43Å; K1524-D1843 VanDerWaalsContact CE-CG 3.49Å; K1524-D1843 WeakPolarHBondContact CE-OD1 3.34Å; K1524-D1843 VanDerWaalsContact CE-OD2 3.31Å; K1524-D1843 WeakPolarHBondContact CE-OD2 3.5Å; N1840-D1843 HydrophobicContact CB-CB 4.14Å; N1840-D1843 CarbonylContact O-C 3.59Å; N1840-D1843 PolarHBondContact O-N 3.4Å; I1841-D1843 VanDerWaalsContact C-N 3.26Å; I1841-D1843 PolarHBondContact O-N 2.97Å; D1843-F1845 PolarHBondContact O-N 3.3Å; D1843-G1846 PolarHBondContact O-N 3.29Å; D1843-Q1847 WeakPolarHBondContact OD1-CA 3.46Å; D1843-Q1847 WeakPolarHBondContact OD1-CB 3.47Å; D1843-Q1847 PolarHBondContact OD1-N 2.81Å; D1843-G1848 PolarHBondContact OD1-N 3.42Å
1844V46.2Very low46Very low8 Ų843.4 Ų43.45%0.04823%0.231CC..THydrogen-bonded Turntrans-47.2-34.4-167.6-176.30000115.3W1308 I1841W1308-V1844 HydrophobicContact CB-CG2 4.01Å; W1308-V1844 HydrophobicContact CD2-CG2 3.55Å; W1308-V1844 HydrophobicContact CE3-CG2 3.73Å; W1308-V1844 HydrophobicContact CG-CG2 3.69Å; W1308-V1844 HydrophobicContact CZ3-CG2 4.47Å; I1841-V1844 VanDerWaalsContact O-CG2 3.25Å; I1841-V1844 WeakPolarHBondContact O-CG2 3.48Å
1845F44.9Very low47.4Very low26 Ų2649 Ų4911%0.11426%0.261CS..THydrogen-bonded Turntrans-111.2-1.1178.7-46.5-65.7000113.5D1843 L1850 I1852 Q1857 Y1860 N1861D1843-F1845 PolarHBondContact O-N 3.3Å; F1845-L1850 HydrophobicContact CB-CD1 4.43Å; F1845-I1852 HydrophobicContact CB-CD1 3.96Å; F1845-I1852 HydrophobicContact CD2-CD1 4.11Å; F1845-I1852 HydrophobicContact CG-CD1 4.08Å; F1845-Q1857 HydrophobicContact CD2-CG 4.14Å; F1845-Q1857 HydrophobicContact CE2-CG 3.62Å; F1845-Y1860 HydrophobicContact CB-CE1 4.44Å; F1845-Y1860 HydrophobicContact CD1-CD1 4.01Å; F1845-Y1860 HydrophobicContact CD1-CE1 4.06Å; F1845-Y1860 HydrophobicContact CE1-CD1 4.45Å; F1845-Y1860 HydrophobicContact CG-CD1 4.19Å; F1845-Y1860 HydrophobicContact CG-CE1 4.27Å; F1845-N1861 HydrophobicContact CE1-CB 3.88Å; F1845-N1861 WeakPolarHBondContact CE1-OD1 3.46Å; F1845-N1861 HydrophobicContact CE2-CB 4.34Å; F1845-N1861 HydrophobicContact CZ-CB 3.41Å; F1845-N1861 VanDerWaalsContact CZ-CB 3.41Å; F1845-N1861 VanDerWaalsContact CZ-CG 3.49Å; F1845-N1861 VanDerWaalsContact CZ-OD1 3.28Å; F1845-N1861 WeakPolarHBondContact CZ-OD1 3.26Å
1846G41Very low49Very low9 Ų950.5 Ų50.59%0.09327%0.269CS..  trans61.873.5-148.700000110.4D1843 G1848 R1849 L1850D1843-G1846 PolarHBondContact O-N 3.29Å; G1846-G1848 PolarHBondContact O-N 3.44Å; G1846-R1849 CarbonylContact O-C 3.6Å; G1846-R1849 WeakPolarHBondContact O-CA 3.16Å; G1846-R1849 WeakPolarHBondContact O-CB 3.35Å; G1846-R1849 PolarHBondContact O-N 2.86Å; G1846-L1850 PolarHBondContact O-N 2.84Å
1847Q38.4Very low50.3Low26 Ų2649.6 Ų49.612%0.12126%0.264CS..THydrogen-bonded Turntrans-55-28.3161.4-66.3-174.9-49.700110.3D1843 R1849 L1850 Q1857D1843-Q1847 WeakPolarHBondContact OD1-CA 3.46Å; D1843-Q1847 WeakPolarHBondContact OD1-CB 3.47Å; D1843-Q1847 PolarHBondContact OD1-N 2.81Å; Q1847-R1849 PolarHBondContact O-N 2.77Å; Q1847-L1850 WeakPolarHBondContact CA-O 3.5Å; Q1847-Q1857 VanDerWaalsContact NE2-NE2 3.1Å
1848G39.7Very low52.1Low48 Ų4847.2 Ų47.250%0.49525%0.251SS..THydrogen-bonded Turntrans-69-0.816900000116D1843 G1846D1843-G1848 PolarHBondContact OD1-N 3.42Å; G1846-G1848 PolarHBondContact O-N 3.44Å
1849R38.3Very low54.1Low137 Ų13748.4 Ų48.452%0.51726%0.257SS..THydrogen-bonded Turntrans-127.4-27179.6-57.8179.2-176.8-165.3-4.7112.4L1798 H1800 G1846 Q1847L1798-R1849 VanDerWaalsContact CD1-NH1 3.27Å; H1800-R1849 PolarHBondContact CE1-NH2 3.39Å; H1800-R1849 VanDerWaalsContact CE1-NH2 3.34Å; H1800-R1849 PolarHBondContact NE2-NH2 2.91Å; G1846-R1849 CarbonylContact O-C 3.6Å; G1846-R1849 WeakPolarHBondContact O-CA 3.16Å; G1846-R1849 WeakPolarHBondContact O-CB 3.35Å; G1846-R1849 PolarHBondContact O-N 2.86Å; Q1847-R1849 PolarHBondContact O-N 2.77Å
1850L47.9Very low56.1Low72 Ų7249.3 Ų49.338%0.37726%0.255SS..  trans-131.2100.9-176.5-58.2175.2000108F1845 G1846 Q1847 I1852 Y1860F1845-L1850 HydrophobicContact CB-CD1 4.43Å; G1846-L1850 PolarHBondContact O-N 2.84Å; Q1847-L1850 WeakPolarHBondContact CA-O 3.5Å; L1850-I1852 HydrophobicContact CB-CD1 3.93Å; L1850-I1852 HydrophobicContact CB-CG1 3.87Å; L1850-I1852 HydrophobicContact CD1-CD1 4.28Å; L1850-I1852 PolarHBondContact O-N 3.37Å; L1850-Y1860 HydrophobicContact CD1-CE1 4.4Å
1851N55.3Low57.8Low165 Ų16548.9 Ų48.988%0.88225%0.253SS*.  trans-69.770.8168.9-74.60000109.8
1852I62.8Low59.9Low29 Ų2948.5 Ų48.515%0.14925%0.251CS..  trans-76.3123.1173.4-59.4161000106.8F1845 L1850 N1854 N1856 Q1857 Y1860F1845-I1852 HydrophobicContact CB-CD1 3.96Å; F1845-I1852 HydrophobicContact CD2-CD1 4.11Å; F1845-I1852 HydrophobicContact CG-CD1 4.08Å; L1850-I1852 HydrophobicContact CB-CD1 3.93Å; L1850-I1852 HydrophobicContact CB-CG1 3.87Å; L1850-I1852 HydrophobicContact CD1-CD1 4.28Å; L1850-I1852 PolarHBondContact O-N 3.37Å; I1852-N1854 PolarHBondContact O-N 2.91Å; I1852-N1856 HydrophobicContact CG2-CB 4.07Å; I1852-Q1857 HydrophobicContact CG2-CB 4.27Å; I1852-Y1860 HydrophobicContact CD1-CD1 3.53Å; I1852-Y1860 HydrophobicContact CD1-CD2 4.39Å; I1852-Y1860 HydrophobicContact CD1-CE1 3.74Å; I1852-Y1860 HydrophobicContact CD1-CG 3.89Å
1853H66.6Low62.2Low117 Ų11748.6 Ų48.654%0.54225%0.251SS..  trans-57.4136.6173.7-160-101.8000109.9D1855 N1856 Q1857H1853-D1855 VanDerWaalsContact C-N 3.25Å; H1853-D1855 IonicContact CE1-OD2 3.2Å; H1853-D1855 PolarHBondContact CE1-OD2 3.43Å; H1853-D1855 IonicContact ND1-OD1 2.99Å; H1853-D1855 IonicContact ND1-OD2 2.71Å; H1853-D1855 PolarHBondContact ND1-OD2 3.38Å; H1853-D1855 PolarHBondContact O-N 3.24Å; H1853-D1855 VanDerWaalsContact O-N 3.14Å; H1853-N1856 WeakPolarHBondContact O-CA 3.43Å; H1853-N1856 WeakPolarHBondContact O-CB 3.44Å; H1853-N1856 PolarHBondContact O-N 2.97Å; H1853-Q1857 PolarHBondContact O-N 2.71Å
1854N65.3Low64Low54 Ų5451.2 Ų51.229%0.28926%0.259SS..Hα-helixtrans-50.8-44.5-173.6-71.1-19000112.4I1852 N1856 Q1857I1852-N1854 PolarHBondContact O-N 2.91Å; N1854-N1856 PolarHBondContact O-N 3.32Å; N1854-Q1857 WeakPolarHBondContact O-CB 3.22Å; N1854-Q1857 PolarHBondContact O-N 2.87Å
1855D69.2Low65.6Low123 Ų12351.4 Ų51.466%0.65826%0.26SS*.Hα-helixtrans-58.2-34178.2-41.6-20.5000113.1H1853H1853-D1855 VanDerWaalsContact C-N 3.25Å; H1853-D1855 IonicContact CE1-OD2 3.2Å; H1853-D1855 PolarHBondContact CE1-OD2 3.43Å; H1853-D1855 IonicContact ND1-OD1 2.99Å; H1853-D1855 IonicContact ND1-OD2 2.71Å; H1853-D1855 PolarHBondContact ND1-OD2 3.38Å; H1853-D1855 PolarHBondContact O-N 3.24Å; H1853-D1855 VanDerWaalsContact O-N 3.14Å
1856N74.7Confident67.6Low33 Ų3350.1 Ų50.118%0.17625%0.254CS..Hα-helixtrans-82.6-12.9178.1-72.9-53.8000112.7I1852 H1853 N1854 I1858 M1859 Y1860I1852-N1856 HydrophobicContact CG2-CB 4.07Å; H1853-N1856 WeakPolarHBondContact O-CA 3.43Å; H1853-N1856 WeakPolarHBondContact O-CB 3.44Å; H1853-N1856 PolarHBondContact O-N 2.97Å; N1854-N1856 PolarHBondContact O-N 3.32Å; N1856-I1858 PolarHBondContact O-N 3.49Å; N1856-M1859 PolarHBondContact O-N 3.18Å; N1856-M1859 WeakPolarHBondContact OD1-CE 3.4Å; N1856-Y1860 WeakPolarHBondContact O-CB 3.35Å; N1856-Y1860 PolarHBondContact O-N 3.27Å
1857Q73.6Confident69.5Low1 Ų153.2 Ų53.21%0.00526%0.263CS..Hα-helixtrans-65.9-41.2-170-169.6165.9-6.900112.5W1308 F1845 Q1847 I1852 H1853 N1854 M1859 N1861W1308-Q1857 HydrophobicContact CH2-CG 3.95Å; W1308-Q1857 VanDerWaalsContact CH2-NE2 3.3Å; F1845-Q1857 HydrophobicContact CD2-CG 4.14Å; F1845-Q1857 HydrophobicContact CE2-CG 3.62Å; Q1847-Q1857 VanDerWaalsContact NE2-NE2 3.1Å; I1852-Q1857 HydrophobicContact CG2-CB 4.27Å; H1853-Q1857 PolarHBondContact O-N 2.71Å; N1854-Q1857 WeakPolarHBondContact O-CB 3.22Å; N1854-Q1857 PolarHBondContact O-N 2.87Å; Q1857-M1859 VanDerWaalsContact C-N 3.33Å; Q1857-M1859 PolarHBondContact O-N 2.92Å; Q1857-N1861 WeakPolarHBondContact O-CB 3.35Å; Q1857-N1861 PolarHBondContact O-N 2.95Å
1858I81Confident71.5Confident39 Ų3954.8 Ų54.820%0.227%0.27CS..Hα-helixtrans-61.5-42.2176.5-56.2177000111.1F1333 S1355 Q1357 N1856 N1861 Y1862F1333-I1858 HydrophobicContact CD1-CG1 4.2Å; F1333-I1858 HydrophobicContact CE1-CD1 4.07Å; F1333-I1858 HydrophobicContact CE1-CG1 3.78Å; S1355-I1858 WeakPolarHBondContact O-CG2 3.41Å; Q1357-I1858 HydrophobicContact CB-CD1 3.9Å; N1856-I1858 PolarHBondContact O-N 3.49Å; I1858-N1861 WeakPolarHBondContact O-CB 3.5Å; I1858-Y1862 PolarHBondContact O-N 3.27Å
1859M84.8Confident73.6Confident28 Ų2852.6 Ų52.614%0.13825%0.247CC..Hα-helixtrans-72.6-47-178.9-179.8163.156.300111.2F1272 P1273 Y1276 N1856 Q1857 N1861 Y1862 L1863F1272-M1859 HydrophobicContact CB-CE 3.57Å; F1272-M1859 HydrophobicContact CB-CG 4.16Å; F1272-M1859 HydrophobicContact CB-SD 3.7Å; F1272-M1859 HydrophobicContact CD2-CE 4.37Å; P1273-M1859 HydrophobicContact CB-SD 4.35Å; P1273-M1859 HydrophobicContact CG-CE 4.04Å; P1273-M1859 HydrophobicContact CG-SD 3.86Å; Y1276-M1859 HydrophobicContact CD2-CB 4.29Å; Y1276-M1859 HydrophobicContact CD2-CG 3.79Å; Y1276-M1859 HydrophobicContact CG-CG 4.19Å; N1856-M1859 PolarHBondContact O-N 3.18Å; N1856-M1859 WeakPolarHBondContact OD1-CE 3.4Å; Q1857-M1859 VanDerWaalsContact C-N 3.33Å; Q1857-M1859 PolarHBondContact O-N 2.92Å; M1859-N1861 VanDerWaalsContact C-N 3.33Å; M1859-N1861 PolarHBondContact O-N 3.15Å; M1859-Y1862 PolarHBondContact O-N 3.45Å; M1859-L1863 HydrophobicContact CG-CD1 4.08Å; M1859-L1863 WeakPolarHBondContact O-CB 3.49Å; M1859-L1863 VanDerWaalsContact O-CG 3.29Å; M1859-L1863 WeakPolarHBondContact O-CG 3.37Å; M1859-L1863 PolarHBondContact O-N 2.93Å
1860Y81.3Confident75.4Confident60 Ų6047.5 Ų47.524%0.23523%0.231CC..Hα-helixtrans-59.2-43.5175.3-173.1-86.8000111.7F1272 F1845 L1850 I1852 N1856 Y1862 L1863 W1864F1272-Y1860 HydrophobicContact CZ-CD2 4.42Å; F1845-Y1860 HydrophobicContact CB-CE1 4.44Å; F1845-Y1860 HydrophobicContact CD1-CD1 4.01Å; F1845-Y1860 HydrophobicContact CD1-CE1 4.06Å; F1845-Y1860 HydrophobicContact CE1-CD1 4.45Å; F1845-Y1860 HydrophobicContact CG-CD1 4.19Å; F1845-Y1860 HydrophobicContact CG-CE1 4.27Å; L1850-Y1860 HydrophobicContact CD1-CE1 4.4Å; I1852-Y1860 HydrophobicContact CD1-CD1 3.53Å; I1852-Y1860 HydrophobicContact CD1-CD2 4.39Å; I1852-Y1860 HydrophobicContact CD1-CE1 3.74Å; I1852-Y1860 HydrophobicContact CD1-CG 3.89Å; N1856-Y1860 WeakPolarHBondContact O-CB 3.35Å; N1856-Y1860 PolarHBondContact O-N 3.27Å; Y1860-Y1862 PolarHBondContact O-N 3.02Å; Y1860-L1863 PolarHBondContact O-N 2.7Å; Y1860-W1864 HydrophobicContact CD1-CB 4.43Å; Y1860-W1864 HydrophobicContact CE1-CB 4.25Å; Y1860-W1864 HydrophobicContact CE1-CG 4.42Å; Y1860-W1864 WeakPolarHBondContact O-CB 3Å; Y1860-W1864 PolarHBondContact O-N 2.82Å
1861N77.5Confident76.7Confident0 Ų049.3 Ų49.30%024%0.236CC..Hα-helixtrans-53.1-51175.4-175.930.8000112.3N1335 S1355 F1845 Q1857 I1858 M1859 W1864 H1865N1335-N1861 PolarHBondContact OD1-ND2 3.49Å; S1355-N1861 WeakPolarHBondContact CB-ND2 3.22Å; S1355-N1861 PolarHBondContact OG-ND2 2.64Å; F1845-N1861 HydrophobicContact CE1-CB 3.88Å; F1845-N1861 WeakPolarHBondContact CE1-OD1 3.46Å; F1845-N1861 HydrophobicContact CE2-CB 4.34Å; F1845-N1861 HydrophobicContact CZ-CB 3.41Å; F1845-N1861 VanDerWaalsContact CZ-CB 3.41Å; F1845-N1861 VanDerWaalsContact CZ-CG 3.49Å; F1845-N1861 VanDerWaalsContact CZ-OD1 3.28Å; F1845-N1861 WeakPolarHBondContact CZ-OD1 3.26Å; Q1857-N1861 WeakPolarHBondContact O-CB 3.35Å; Q1857-N1861 PolarHBondContact O-N 2.95Å; I1858-N1861 WeakPolarHBondContact O-CB 3.5Å; M1859-N1861 VanDerWaalsContact C-N 3.33Å; M1859-N1861 PolarHBondContact O-N 3.15Å; N1861-W1864 PolarHBondContact O-N 3.36Å; N1861-H1865 PolarHBondContact O-CD2 3.31Å; N1861-H1865 VanDerWaalsContact O-CD2 3.28Å; N1861-H1865 PolarHBondContact O-N 2.64Å; N1861-H1865 PolarHBondContact OD1-CD2 3.04Å; N1861-H1865 PolarHBondContact OD1-NE2 3.08Å
1862Y86.4Confident77.1Confident2 Ų249.1 Ų49.11%0.00823%0.228CC..Hα-helixtrans-65.4-45.5179.6-174.4-91000112.7Y1276 I1279 E1280 L1352 Y1353 I1858 M1859 Y1860 W1864 N1866Y1276-Y1862 AromaticContact CD2-CD1 3.47Å; Y1276-Y1862 HydrophobicContact CD2-CD1 3.47Å; Y1276-Y1862 VanDerWaalsContact CD2-CD1 3.47Å; Y1276-Y1862 HydrophobicContact CD2-CE1 4.2Å; Y1276-Y1862 AromaticContact CD2-CG 3.92Å; Y1276-Y1862 HydrophobicContact CD2-CG 3.92Å; Y1276-Y1862 AromaticContact CE2-CD1 3.38Å; Y1276-Y1862 HydrophobicContact CE2-CD1 3.38Å; Y1276-Y1862 HydrophobicContact CE2-CD2 4.13Å; Y1276-Y1862 HydrophobicContact CE2-CE1 4.09Å; Y1276-Y1862 AromaticContact CE2-CG 3.41Å; Y1276-Y1862 HydrophobicContact CE2-CG 3.41Å; Y1276-Y1862 VanDerWaalsContact CE2-CG 3.41Å; Y1276-Y1862 HydrophobicContact CG-CD1 4.28Å; I1279-Y1862 HydrophobicContact CB-CE1 4.31Å; I1279-Y1862 HydrophobicContact CG2-CE1 3.84Å; E1280-Y1862 WeakPolarHBondContact CA-OH 3.33Å; E1280-Y1862 HydrophobicContact CB-CE1 4.34Å; L1352-Y1862 HydrophobicContact CD2-CD2 4.11Å; L1352-Y1862 HydrophobicContact CG-CD2 4.43Å; L1352-Y1862 WeakPolarHBondContact O-CE2 3.1Å; Y1353-Y1862 WeakPolarHBondContact O-CE2 3.4Å; I1858-Y1862 PolarHBondContact O-N 3.27Å; M1859-Y1862 PolarHBondContact O-N 3.45Å; Y1860-Y1862 PolarHBondContact O-N 3.02Å; Y1862-W1864 VanDerWaalsContact C-N 3.28Å; Y1862-W1864 PolarHBondContact O-N 3.34Å; Y1862-N1866 VanDerWaalsContact CE2-ND2 3.29Å; Y1862-N1866 WeakPolarHBondContact CE2-ND2 3.48Å; Y1862-N1866 VanDerWaalsContact CZ-ND2 3.29Å; Y1862-N1866 WeakPolarHBondContact O-CB 3.18Å; Y1862-N1866 PolarHBondContact O-N 3.45Å; Y1862-N1866 PolarHBondContact O-ND2 3.24Å
1863L87.3Confident76.8Confident18 Ų1851.5 Ų51.59%0.09424%0.243CC..Hα-helixtrans-62.4-34.8175.5-68.9177.3000112.2F1272 L1275 I1279 M1859 Y1860 W1867F1272-L1863 HydrophobicContact CB-CD1 4.02Å; F1272-L1863 HydrophobicContact CD1-CD1 3.94Å; F1272-L1863 HydrophobicContact CG-CD1 4.07Å; L1275-L1863 HydrophobicContact CB-CD2 4.21Å; L1275-L1863 HydrophobicContact CD2-CD1 4.49Å; L1275-L1863 HydrophobicContact CD2-CD2 3.98Å; L1275-L1863 HydrophobicContact CG-CD2 3.81Å; I1279-L1863 HydrophobicContact CD1-CD2 3.66Å; M1859-L1863 HydrophobicContact CG-CD1 4.08Å; M1859-L1863 WeakPolarHBondContact O-CB 3.49Å; M1859-L1863 VanDerWaalsContact O-CG 3.29Å; M1859-L1863 WeakPolarHBondContact O-CG 3.37Å; M1859-L1863 PolarHBondContact O-N 2.93Å; Y1860-L1863 PolarHBondContact O-N 2.7Å; L1863-W1867 VanDerWaalsContact O-CA 3.23Å; L1863-W1867 WeakPolarHBondContact O-CA 3.3Å; L1863-W1867 WeakPolarHBondContact O-CB 3.39Å; L1863-W1867 PolarHBondContact O-N 3.01Å; L1863-W1867 VanDerWaalsContact O-N 3.1Å
1864W82Confident77.3Confident81 Ų8148.2 Ų48.231%0.30723%0.228SC..Hα-helixtrans-72-47.9178.5-171.888.1000111.9E1793 R1794 Y1860 N1861 Y1862 W1867E1793-W1864 HydrophobicContact CB-CH2 4.02Å; R1794-W1864 HydrophobicContact CG-CH2 3.69Å; R1794-W1864 HydrophobicContact CG-CZ3 3.88Å; Y1860-W1864 HydrophobicContact CD1-CB 4.43Å; Y1860-W1864 HydrophobicContact CE1-CB 4.25Å; Y1860-W1864 HydrophobicContact CE1-CG 4.42Å; Y1860-W1864 WeakPolarHBondContact O-CB 3Å; Y1860-W1864 PolarHBondContact O-N 2.82Å; N1861-W1864 PolarHBondContact O-N 3.36Å; Y1862-W1864 VanDerWaalsContact C-N 3.28Å; Y1862-W1864 PolarHBondContact O-N 3.34Å; W1864-W1867 WeakPolarHBondContact O-CB 3.02Å; W1864-W1867 PolarHBondContact O-N 3.26Å
1865H78.6Confident78Confident11 Ų1147.9 Ų47.95%0.05123%0.225CC..Hα-helixtrans-67.2-39.8177.9-79.8-66.8000113L1352 T1791 N1861 W1867 H1868L1352-H1865 HydrophobicContact CB-CB 3.7Å; L1352-H1865 HydrophobicContact CD2-CB 4.38Å; T1791-H1865 VanDerWaalsContact CG2-CE1 3.5Å; T1791-H1865 WeakPolarHBondContact CG2-CE1 3.29Å; T1791-H1865 WeakPolarHBondContact CG2-ND1 3.13Å; T1791-H1865 PolarHBondContact OG1-CE1 3.29Å; T1791-H1865 VanDerWaalsContact OG1-CE1 3.24Å; T1791-H1865 PolarHBondContact OG1-ND1 3.19Å; N1861-H1865 PolarHBondContact O-CD2 3.31Å; N1861-H1865 VanDerWaalsContact O-CD2 3.28Å; N1861-H1865 PolarHBondContact O-N 2.64Å; N1861-H1865 PolarHBondContact OD1-CD2 3.04Å; N1861-H1865 PolarHBondContact OD1-NE2 3.08Å; H1865-W1867 VanDerWaalsContact C-N 3.32Å; H1865-W1867 PolarHBondContact O-N 3.15Å; H1865-H1868 PolarHBondContact O-CE1 3.38Å
1866N87.4Confident78.5Confident0 Ų043.7 Ų43.70%020%0.201CC..THydrogen-bonded Turntrans-9315.5-179.2-61.8-37.6000113.1I1279 L1352 Y1862 H1868 L1869I1279-N1866 HydrophobicContact CG2-CB 3.76Å; L1352-N1866 PolarHBondContact N-OD1 2.64Å; L1352-N1866 PolarHBondContact O-ND2 3.07Å; Y1862-N1866 VanDerWaalsContact CE2-ND2 3.29Å; Y1862-N1866 WeakPolarHBondContact CE2-ND2 3.48Å; Y1862-N1866 VanDerWaalsContact CZ-ND2 3.29Å; Y1862-N1866 WeakPolarHBondContact O-CB 3.18Å; Y1862-N1866 PolarHBondContact O-N 3.45Å; Y1862-N1866 PolarHBondContact O-ND2 3.24Å; N1866-H1868 PolarHBondContact O-N 3.07Å; N1866-L1869 HydrophobicContact CB-CD1 4.37Å; N1866-L1869 WeakPolarHBondContact O-CB 3.06Å; N1866-L1869 PolarHBondContact O-N 3.08Å
1867W82.4Confident78.7Confident73 Ų7344.4 Ų44.428%0.27720%0.203SC..G310 helixtrans-53.2-31.8-171.978.2-86.9000114E1247 E1793 L1863 W1864 H1865 L1869 T1870E1247-W1867 WeakPolarHBondContact OE1-CH2 3.13Å; E1247-W1867 WeakPolarHBondContact OE1-CZ3 3.24Å; E1793-W1867 PolarHBondContact OE1-NE1 3.23Å; L1863-W1867 VanDerWaalsContact O-CA 3.23Å; L1863-W1867 WeakPolarHBondContact O-CA 3.3Å; L1863-W1867 WeakPolarHBondContact O-CB 3.39Å; L1863-W1867 PolarHBondContact O-N 3.01Å; L1863-W1867 VanDerWaalsContact O-N 3.1Å; W1864-W1867 WeakPolarHBondContact O-CB 3.02Å; W1864-W1867 PolarHBondContact O-N 3.26Å; H1865-W1867 VanDerWaalsContact C-N 3.32Å; H1865-W1867 PolarHBondContact O-N 3.15Å; W1867-L1869 PolarHBondContact O-N 2.95Å; W1867-T1870 WeakPolarHBondContact O-CB 3.39Å; W1867-T1870 WeakPolarHBondContact O-CG2 3.41Å; W1867-T1870 PolarHBondContact O-N 3.45Å; W1867-T1870 VanDerWaalsContact O-N 3.08Å; W1867-T1870 PolarHBondContact O-OG1 2.68Å
1868H79.8Confident79Confident59 Ų5947.1 Ų47.127%0.27322%0.215SC..G310 helixtrans-69.7-17.2-178.857.3-90.2000113.1Y1351 H1865 N1866 T1870Y1351-H1868 AromaticContact CD1-NE2 3.6Å; Y1351-H1868 AromaticContact CE1-NE2 3.17Å; Y1351-H1868 WeakPolarHBondContact CE1-NE2 3.19Å; H1865-H1868 PolarHBondContact O-CE1 3.38Å; N1866-H1868 PolarHBondContact O-N 3.07Å; H1868-T1870 VanDerWaalsContact C-N 3.3Å
1869L82.4Confident78.9Confident2 Ų247.6 Ų47.61%0.0122%0.216CC..G310 helixtrans-70.8-22.3169.6-66.5-179.1000112.7I1279 L1283 L1286 Y1351 N1866 W1867 K1871 F1872 V1873I1279-L1869 HydrophobicContact CG2-CB 4.19Å; I1279-L1869 HydrophobicContact CG2-CD1 3.86Å; L1283-L1869 HydrophobicContact CB-CD1 4.1Å; L1283-L1869 HydrophobicContact CD1-CD1 4.39Å; L1286-L1869 HydrophobicContact CD1-CD2 3.87Å; Y1351-L1869 HydrophobicContact CD1-CD1 4.05Å; Y1351-L1869 HydrophobicContact CD1-CG 4.45Å; Y1351-L1869 HydrophobicContact CE1-CD1 3.72Å; Y1351-L1869 HydrophobicContact CE1-CD2 3.7Å; Y1351-L1869 HydrophobicContact CE1-CG 3.79Å; N1866-L1869 HydrophobicContact CB-CD1 4.37Å; N1866-L1869 WeakPolarHBondContact O-CB 3.06Å; N1866-L1869 PolarHBondContact O-N 3.08Å; W1867-L1869 PolarHBondContact O-N 2.95Å; L1869-K1871 PolarHBondContact O-N 3.48Å; L1869-F1872 HydrophobicContact CD2-CD2 4.47Å; L1869-F1872 PolarHBondContact O-N 3.23Å; L1869-V1873 PolarHBondContact O-N 2.52Å; L1869-V1873 VanDerWaalsContact O-N 3.13Å
1870T77.4Confident78.4Confident31 Ų3149 Ų4919%0.1922%0.222CC..G310 helixtrans-71.921.617375.10000114.9L1275 I1279 W1867 H1868L1275-T1870 HydrophobicContact CD1-CG2 4Å; L1275-T1870 HydrophobicContact CD2-CG2 4.3Å; L1275-T1870 HydrophobicContact CG-CG2 4.43Å; I1279-T1870 HydrophobicContact CD1-CG2 3.47Å; I1279-T1870 VanDerWaalsContact CD1-CG2 3.47Å; I1279-T1870 HydrophobicContact CG1-CG2 4.22Å; W1867-T1870 WeakPolarHBondContact O-CB 3.39Å; W1867-T1870 WeakPolarHBondContact O-CG2 3.41Å; W1867-T1870 PolarHBondContact O-N 3.45Å; W1867-T1870 VanDerWaalsContact O-N 3.08Å; W1867-T1870 PolarHBondContact O-OG1 2.68Å; H1868-T1870 VanDerWaalsContact C-N 3.3Å
1871K75.1Confident78.2Confident109 Ų10948.2 Ų48.247%0.47422%0.221SC..G310 helixtrans-120.8-9.2172.8-65.6176173.9172.80111.9E1247 L1869E1247-K1871 WeakPolarHBondContact OE1-CE 3.29Å; E1247-K1871 IonicContact OE1-NZ 3.74Å; E1247-K1871 PolarHBondContact OE1-NZ 2.78Å; L1869-K1871 PolarHBondContact O-N 3.48Å
1872F63.4Low78.3Confident162 Ų16252.2 Ų52.271%0.71124%0.239SC*.THydrogen-bonded Turntrans-112.7-33.5177.1-60.2-81.1000110.9L1869L1869-F1872 HydrophobicContact CD2-CD2 4.47Å; L1869-F1872 PolarHBondContact O-N 3.23Å
1873V57.3Low77.5Confident78 Ų7856.7 Ų56.747%0.47326%0.26SS..  trans-70.10148.9-177.60000109.7E1278 H1282 L1869E1278-V1873 HydrophobicContact CB-CG1 4.49Å; E1278-V1873 HydrophobicContact CG-CG1 3.6Å; E1278-V1873 HydrophobicContact CG-CG2 4.24Å; E1278-V1873 VanDerWaalsContact OE2-CG1 3.26Å; E1278-V1873 WeakPolarHBondContact OE2-CG1 3.16Å; H1282-V1873 HydrophobicContact CB-CG2 4.32Å; L1869-V1873 PolarHBondContact O-N 2.52Å; L1869-V1873 VanDerWaalsContact O-N 3.13Å

Retrieved 1,873 of 1,873 residues in 719.2 ms (Link to these results)