A0A5K4FAH2_SCHMA Loading...

C2H2-type domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4FAH2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,596 aa.

>A0A5K4FAH2_SCHMA|A0A5K4FAH2
MSSLSQNPVGNTRIFTTGRMSHKNVSRFCRSPGGILFSSVSGGFPDVHSSDGCSANVPMKCTRKENERNINPVSLFNSLLDPNIELPTISVREVDEILSNLTSANSSPSKPTNGICSNITTHINFCDISDNLCQDSVGYIKSGAMSNPHPFNGKNCSSQSVKVSLINESEAIEHNVANDSSMCINSPRVDGLPVSSNVCHTLVLDSTVSSEAGNSFKDLNTLDSPNSCHISSSRLQTIDAEEHGDEVLHKKRNPRTVSLQSMADILPFFPSCRSVAELGALALGSESSGTATHKHKFPNATLRSKACSGTNLCNISTKDSISNVLRDRSPIGSLDLATHARYQNPFKASNIHEASRYRQAYLSVRRANQAKVLSKSTASTGEFSVFNAKNQGNADNQHVSYQPPRSPQPTAGMEITSTNRLSCSTGTTSDDRFKHICPHPRCGRRYQAEIGLLRHLVKYHGEQIELPQRTRSVANQQLLRRPASEERTITSIGFDNTDEMDKICSKQSLSKNKTISLSHSKSLLESNHVEMTKINFNPSTLPFETIQINEYTSSDELSCDKIKEVTPILDNELSYSCSTSSNEVGTTVSVPLIDLNTDICSNNFPISVDMDSTNSNDVTIHSLTDETKLPVLVKQPIRKQPRLRSVSGGSHNDLPIIKNTMNSINPSNITVQCKHQLSALSNLSTSYITTVNKQKVCKIDNGRRRTLSTGHDPRQVLNMNNDDSNNDHHDNNNLSNKCPSCGHIVDWNLCKTKQREWISGVHALSCSKTDCVYCPVDNCTYLCSGRADLSAHLTSIHFPEIQHQLVRLIFACPLKDCQIICSDEASFQAHFTGHLHGHLPGDLTELFNPSSLTTTIGTKILSHTAMTTVTSTPVVVTSTPIVQSLIDNCVDTSPHSLSSNLSYGQTTHCLTDYTTTTTLSQSSACDNYHVSLINIQPNLAVGGDGLSGTYEKSPNSNNIHSEATLVTAAAAAPTAVDLIPNHTSSFDNSSESTLLNHHQQYASIVSMSSDLNSFNHYCSHQHHQRQQHFSVFPSSPLFPNDEGSITTLSEVLKSDSDDNVNDVSNGFANLGTTETDHVDLTDNRNLLSALDLIPDDILIELLKEDRASLWGDPVTSINNNSRSSRAINSVLSAPYECNTESPCSIVDNTNNNNDHINDNYMPIKCVENNEDYDVNYNPCDTSSINDSIDDWIDFNVTDSISRLNSLENLHKRNVSSSNLLLSDDSNSNGSNSNSSWIPLNLIHHTWSSAIANEKLSNSNYNNINLVNDFNQRHFNCPRRVISDLTAALILPDVERRLKASISATHTTTSTNHNNKSNKSNLPSSSTVGSSILSSQASSQTTFSAITTSTTKKHQSCCSGKRRRNASESPPLSTYNAASFNNNNVIKSSLSSSDCWKQSMNSIQVISPNSMKRPYHSKTLISVGNHNDSNNNTSHFRKTTTTTTTQLDSETLNSKDGNNNNDKNNNCSTIEQQQNVDQTVGGHYEQNANHNVVKINLTEEQEHEREKQLFVNSTTTTTTTNSISLFPNKIRMQHESRKRLKKHQKSSTLTCRTLFTPPSYSIDKYIIPRPVLPRRHSMLASSYNLVVSDYGFTHLPH
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.5Very low34.5Very low236 Ų236129.9 Ų129.9100%1.16377%0.767SS**  0126.80-55.6-172.283.700107.3
2S34.4Very low34.4Very low93 Ų93128.4 Ų128.465%0.6576%0.76SS**  cis-155.2119.4-11-74.90000105.4
3S30.6Very low34.4Very low98 Ų98135.5 Ų135.569%0.68577%0.766SS**  58.4127.577.1780000111.5
4L34.7Very low34Very low153 Ų153135.9 Ų135.980%0.80176%0.763SS**  cis-164.6163.628.9-113.8141.4000111.1
5S32.3Very low33.8Very low87 Ų87139.9 Ų139.961%0.60877%0.769SS**  trans7.6161.3145.570.30000122.1
6Q38.6Very low33.5Very low168 Ų168134.3 Ų134.379%0.78574%0.74SS**  cis-142.4173.521.1-53.3174.423.600109.4
7N31.3Very low33.5Very low144 Ų144132.5 Ų132.577%0.7773%0.734SS**  cis78.7153.319-12429.6000116.3
8P37.8Very low33.3Very low98 Ų98127.4 Ų127.464%0.63672%0.717SS**  -125.3-141.7-62.538.3-22.4000112.5
9V34.6Very low33.2Very low141 Ų141132 Ų13286%0.85572%0.722SS**  trans92.1134.2168.7-171.10000117.2
10G35.9Very low33.2Very low71 Ų71133.8 Ų133.873%0.73273%0.727SS**  trans-174.6-25.8178.300000122.4
11N32.8Very low33Very low140 Ų140132.3 Ų132.375%0.74973%0.726SS**  trans47.8112.9163.7-81.81.4000124.7
12T33.8Very low32.8Very low112 Ų112129.8 Ų129.869%0.68771%0.712SS**  85.9147.112566.40000124.8
13R33.7Very low32.6Very low221 Ų221132 Ų13283%0.83471%0.709SS**  trans77.8106.2167.7-46.3-176.3-159-161.83.7114.8
14I28.3Very low32.4Very low141 Ų141133.8 Ų133.872%0.72371%0.712SS**  cis69.1111.641-47.8175.3000114.1T16I14-T16 HydrophobicContact CG2-CG2 4.15Å
15F31.9Very low32.3Very low195 Ų195133.9 Ų133.986%0.85572%0.718SS**  trans-152.8146144.5-100.4-69.9000110.2
16T28.9Very low32Very low50 Ų50134.4 Ų134.431%0.30772%0.722SS.*  trans-151.8108.2-156.348.10000113.3I14 D218 L219 N220I14-T16 HydrophobicContact CG2-CG2 4.15Å; T16-D218 WeakPolarHBondContact CB-O 3.31Å; T16-L219 VanDerWaalsContact CG2-C 3.45Å; T16-L219 HydrophobicContact CG2-CB 3.74Å; T16-N220 HydrophobicContact CG2-CB 4.2Å
17T32.8Very low31.5Very low104 Ų104136.4 Ų136.464%0.63872%0.722SS**  trans-152.4145.4171.2470000114.3D218 L219T17-D218 VanDerWaalsContact CA-OD2 3.3Å; T17-D218 WeakPolarHBondContact CA-OD2 3.48Å; T17-L219 VanDerWaalsContact O-CD2 3.31Å; T17-L219 WeakPolarHBondContact O-CD2 3.26Å
18G30.8Very low31.4Very low41 Ų41139.8 Ų139.842%0.42373%0.73SS.*  trans171.2-145.7-174.900000114.6D218G18-D218 PolarHBondContact N-OD1 3.41Å; G18-D218 PolarHBondContact N-OD2 2.97Å
19R31.6Very low30.8Very low215 Ų215140.4 Ų140.481%0.81174%0.736SS**  trans61.9155.5179.2-89.1-164.9174-153.81.6119.8D218R19-D218 WeakPolarHBondContact CB-OD1 3.48Å; R19-D218 PolarHBondContact N-OD1 2.84Å
20M32.3Very low30.5Very low167 Ų167145.5 Ų145.582%0.82374%0.739SS**  trans79.3110.2175.6-58.8171.564.500114.8
21S29Very low30.4Very low103 Ų103147.4 Ų147.472%0.7274%0.742SS**  cis83.997.827.1-168.90000115.9
22H33Very low30.4Very low184 Ų184146.9 Ų146.985%0.85275%0.746SS**  trans-139.1162.5156.5-86.1-88000109.8
23K29.8Very low30.1Very low138 Ų138145.3 Ų145.360%0.675%0.752SS**  trans-121.7167.9-166.1-63.3-177.6179.2178.50113.6N1264K23-N1264 PolarHBondContact NZ-OD1 3.26Å
24N26.8Very low29.8Very low137 Ų137138 Ų13873%0.73375%0.746SS**  trans67.7108.5154.7-62.1-5.7000119.3
25V32.1Very low29.9Very low155 Ų155139.2 Ų139.294%0.93975%0.752SS**  -139.1154.8128-177.50000107.5
26S25.8Very low29.7Very low98 Ų98135.9 Ų135.969%0.68574%0.743SS**  trans-117.4154.3-169.458.30000114.5
27R28.6Very low29.7Very low209 Ų209142.3 Ų142.379%0.78977%0.767SS**  trans39.8126.3151.5-63.5179.2-175.5166.41119.1
28F28.5Very low29.3Very low216 Ų216142 Ų14295%0.94777%0.769SS**  -144147129.1-112.4-78.3000110.8
29C26.6Very low29.1Very low111 Ų111144.8 Ų144.875%0.7578%0.781SS**  trans-108.5146.6177.3-55.70000109.9
30R27.5Very low28.8Very low247 Ų247140.7 Ų140.793%0.93278%0.78SS**  trans-165.2126.2154.5-110.1167.4-167.7-155.52111.6
31S33.7Very low28.6Very low112 Ų112138.5 Ų138.578%0.78378%0.781SS**  trans-89160.2149-530000108.1
32P32.7Very low28.6Very low128 Ų128137.6 Ų137.683%0.83179%0.788SS**  -134.91718835-18.2000111.8
33G27.4Very low28.2Very low80 Ų80131.9 Ų131.983%0.82578%0.779SS**  79.8135.47900000111.6
34G28.3Very low28.1Very low68 Ų68135.4 Ų135.470%0.70180%0.795SS**  cis132.2100.21.300000112.2
35I30.1Very low28.6Very low165 Ų165134.5 Ų134.585%0.84680%0.797SS**  trans-164.9134.3163.6-82.8127.5000104.5
36L27.8Very low28.5Very low126 Ų126134 Ų13466%0.6679%0.789SS**  cis110.8112.710-70.1179.9000115.3
37F28.6Very low29.1Very low185 Ų185136.3 Ų136.381%0.81180%0.798SS**  trans68.4155.5163.1-48.7-56.7000117.5
38S25.1Very low29.3Very low97 Ų97134.4 Ų134.468%0.67880%0.798SS**  cis-153.9159.4-0.7-1400000113.7
39S25.2Very low29.3Very low99 Ų99129.5 Ų129.569%0.69279%0.79SS**  trans17.7150.9130.5-36.20000120.7
40V26.9Very low29.7Very low129 Ų129129.8 Ų129.878%0.78279%0.794SS**  cis-162.7166.316.7-1300000112.5
41S26.4Very low29.9Very low122 Ų122125.7 Ų125.785%0.85379%0.79SS**  trans68.1144.8143.5-660000123.7
42G29.1Very low29.9Very low83 Ų83123.5 Ų123.586%0.85679%0.786SS**  trans134.5140.2157.900000115.8
43G25.1Very low29.7Very low65 Ų65123.8 Ų123.867%0.6779%0.789SS**  trans-178.1174.2174.600000116.3
44F28.3Very low29.8Very low211 Ų211124.9 Ų124.993%0.92578%0.784SS**  trans70.1163.2-178.8-60.4-78000116.7
45P36.1Very low29.8Very low119 Ų119125.6 Ų125.677%0.77378%0.784SS**  cis-127.5-168.8-6.526.4-2.1000115.2
46D31Very low30Very low145 Ų145125.9 Ų125.978%0.77579%0.787SS**  trans-62.7158.2-179.5-61.8-82.3000117.8
47V37.4Very low30.1Very low145 Ų145125.9 Ų125.988%0.87979%0.792SS**  trans-138.1146.8154.2-176.40000109.9
48H33.2Very low30.3Very low169 Ų169122.7 Ų122.778%0.78279%0.79SS**  trans-93.3157-165.5-73.4-79.4000117.5
49S29.3Very low30.5Very low113 Ų113125.5 Ų125.579%0.7979%0.794SS**  trans2.2144.3152.7-49.30000122.5
50S34.5Very low30.6Very low117 Ų117129 Ų12982%0.81880%0.796SS**  -156.1154.6124.1-159.90000114.1
51D32.3Very low30.7Very low161 Ų161129.3 Ų129.386%0.86180%0.803SS**  trans-59.2168.6-167.4-58.6-42.9000119.8
52G32.7Very low31Very low67 Ų67129.2 Ų129.269%0.69180%0.797SS**  137.983.1126.500000121.4
53C28.5Very low30.9Very low133 Ų133135.8 Ų135.890%0.89980%0.796SS**  trans58.8168.5148.5-69.80000119.9
54S29.2Very low31.2Very low103 Ų103141.7 Ų141.772%0.7280%0.804SS**  cis-160.9143.2-36.8560000110.4
55A28.9Very low31.1Very low84 Ų84138.6 Ų138.669%0.69479%0.792SS**  trans21.6119.1159.900000121.1
56N35.2Very low30.7Very low170 Ų170140.4 Ų140.491%0.90980%0.795SS**  -160164.2120.2-103-47.5000112.4
57V29.4Very low30.7Very low127 Ų127141.7 Ų141.777%0.7780%0.797SS**  trans-131.2-173.1-159.6-1500000111
58P32.8Very low30.3Very low118 Ų118145.8 Ų145.877%0.76680%0.796SS**  -100.7166.6-100.838.7-26.2000115.8
59M28.7Very low30.2Very low155 Ų155144.5 Ų144.576%0.76480%0.795SS**  trans-150.9117.8159-167.270124.500113.8
60K28.3Very low30.1Very low172 Ų172146.5 Ų146.575%0.74880%0.795SS**  trans31116.5151.9-58.3170.2-174.1171.50119.3
61C28Very low30Very low137 Ų137146.7 Ų146.793%0.92679%0.787SS**  trans-114.9142.3154.1-146.80000109.7
62T32.5Very low30.1Very low119 Ų119144.9 Ų144.973%0.7378%0.784SS**  trans-131.8122-169.549.80000113.6
63R27.5Very low30.1Very low221 Ų221146.7 Ų146.783%0.83478%0.782SS**  trans38.796.6143.1-169.9-174.2-178.8-178.41.4118.4
64K32.5Very low30.2Very low190 Ų190145.2 Ų145.283%0.82677%0.773SS**  trans-164.6126.1143.4-97.1157.1-178.4-173.40105.2
65E26Very low30.3Very low145 Ų145145.5 Ų145.568%0.67877%0.766SS**  76.3124.164.2-72.6175.9173.400113.1
66N26.6Very low30.4Very low158 Ų158149.9 Ų149.985%0.84577%0.769SS**  trans68.6150.5-177.6-50.1-21.1000114.2
67E32.1Very low30.4Very low171 Ų171145.5 Ų145.580%0.79975%0.746SS**  cis-128.6173.76.1-68.4174.9143.400111.9
68R27.8Very low30.5Very low232 Ų232143.2 Ų143.288%0.87574%0.736SS**  trans-115.783.1178.5-64.7-172.2-165.6168.76.6112.9
69N30.9Very low30.6Very low141 Ų141145 Ų14575%0.75474%0.738SS**  trans-88.2120.9165.6-71.1-11.9000110
70I28.4Very low31Very low155 Ų155145.3 Ų145.380%0.79574%0.742SS**  trans-110.997.6-178.9-58.1177.8000108.5
71N31.5Very low31.4Very low121 Ų121141.3 Ų141.365%0.64773%0.729SS**PPolyproline II helixtrans-79.9140.1176.7-65.55.1000110.5
72P34.7Very low32Very low124 Ų124140.6 Ų140.681%0.80572%0.723SS**PPolyproline II helixtrans-70.3132-17928-34.1000112.2
73V32.8Very low32.1Very low104 Ų104141.3 Ų141.363%0.6372%0.722SS**PPolyproline II helixtrans-87.6122.8-177.2179.40000111L75V73-L75 HydrophobicContact CG1-CD2 4.09Å; V73-L75 HydrophobicContact CG1-CG 4.26Å; V73-L75 PolarHBondContact O-N 3.44Å
74S29.5Very low32.5Very low102 Ų102136.1 Ų136.171%0.71371%0.71SS**  trans-72.3115.1176.1-175.50000112
75L32.4Very low32.7Very low110 Ų110136.2 Ų136.258%0.57671%0.713SS**  trans-111.916.5-170.2-73.4175.6000115.6V73 N77V73-L75 HydrophobicContact CG1-CD2 4.09Å; V73-L75 HydrophobicContact CG1-CG 4.26Å; V73-L75 PolarHBondContact O-N 3.44Å; L75-N77 PolarHBondContact O-N 2.75Å
76F31.8Very low33.1Very low175 Ų175135.4 Ų135.477%0.76871%0.713SS**THydrogen-bonded Turntrans-66.9-0.9-172.3-81-80.2000117.4
77N33.9Very low33.9Very low78 Ų78132.2 Ų132.242%0.41770%0.701SS.*THydrogen-bonded Turntrans-111.410.2-166.6-86.8-69.2000116.7L75 F433L75-N77 PolarHBondContact O-N 2.75Å; N77-F433 HydrophobicContact CB-CZ 4.43Å
78S32.4Very low34.2Very low80 Ų80130.4 Ų130.456%0.55970%0.701SS**SBendtrans-115.93.4-164.9-600000118.7
79L34.9Very low34.9Very low154 Ų154124.8 Ų124.881%0.80669%0.687SS**  trans-12814-168-73.1175.8000117.7
80L36.7Very low35.8Very low162 Ų162119.6 Ų119.685%0.84866%0.662SS**  trans-99111.4172.1-73.9170.7000111.7P82L80-P82 WeakPolarHBondContact O-CD 3.21Å
81D35.8Very low37.1Very low88 Ų88116.8 Ų116.847%0.47165%0.652SS.*  trans-66.3118.2170.5-178.2-11.4000109.8N83 I84D81-N83 PolarHBondContact O-N 3.26Å; D81-N83 WeakPolarHBondContact OD1-CB 3.27Å; D81-N83 PolarHBondContact OD1-N 3.06Å; D81-N83 PolarHBondContact OD1-ND2 3.41Å; D81-I84 HydrophobicContact CB-CD1 4.2Å; D81-I84 HydrophobicContact CB-CG1 4.24Å; D81-I84 PolarHBondContact O-N 3.07Å
82P40.6Very low38.4Very low123 Ų123117.1 Ų117.180%0.79964%0.644SS**THydrogen-bonded Turntrans-69-0.4-177.529.7-36.5000114.4L80L80-P82 WeakPolarHBondContact O-CD 3.21Å
83N35.1Very low39.9Very low133 Ų133115.5 Ų115.571%0.71163%0.626SS**THydrogen-bonded Turntrans-102.50.3-179.1-53.7-83.4000114.3D81 E85D81-N83 PolarHBondContact O-N 3.26Å; D81-N83 WeakPolarHBondContact OD1-CB 3.27Å; D81-N83 PolarHBondContact OD1-N 3.06Å; D81-N83 PolarHBondContact OD1-ND2 3.41Å; N83-E85 PolarHBondContact O-N 2.78Å
84I36.2Very low41.5Very low113 Ų113113.7 Ų113.758%0.57962%0.615SS**  trans-87103.2174.5-60.9178.8000109.5D81 L86D81-I84 HydrophobicContact CB-CD1 4.2Å; D81-I84 HydrophobicContact CB-CG1 4.24Å; D81-I84 PolarHBondContact O-N 3.07Å; I84-L86 HydrophobicContact CG2-CD2 4.07Å; I84-L86 HydrophobicContact CG2-CG 4.31Å; I84-L86 PolarHBondContact O-N 2.85Å; I84-L86 VanDerWaalsContact O-N 3.09Å
85E35.5Very low43.1Very low191 Ų191112.6 Ų112.689%0.89360%0.601SS**  trans-72.195.4164.4-67.9-172.2148.900109.3N83N83-E85 PolarHBondContact O-N 2.78Å
86L36.2Very low44.8Very low129 Ų129113.1 Ų113.168%0.67560%0.601SS**  trans-64.5134.5168.1-69174.1000109.5I84 T88I84-L86 HydrophobicContact CG2-CD2 4.07Å; I84-L86 HydrophobicContact CG2-CG 4.31Å; I84-L86 PolarHBondContact O-N 2.85Å; I84-L86 VanDerWaalsContact O-N 3.09Å; L86-T88 PolarHBondContact O-N 2.91Å
87P42.2Very low46.1Very low91 Ų91108.7 Ų108.759%0.59158%0.584SS**  trans-60.9124.1174.8-21.733.1000110.8I89P87-I89 PolarHBondContact O-N 3.19Å
88T39.4Very low47.1Very low133 Ų133109.3 Ų109.382%0.81659%0.587SS**  trans-72.896.3171.254.10000109.3L86 S90L86-T88 PolarHBondContact O-N 2.91Å; T88-S90 PolarHBondContact O-N 3.32Å
89I42.8Very low48.2Very low113 Ų113108.4 Ų108.458%0.57958%0.581SS**  trans-54.8125.1157.5-66.2177.4000106.5P87 E93 V94P87-I89 PolarHBondContact O-N 3.19Å; I89-E93 HydrophobicContact CG2-CB 3.8Å; I89-V94 HydrophobicContact CG2-CG2 3.74Å
90S48.7Very low49Very low32 Ų32106.2 Ų106.222%0.22457%0.57CS.*  trans-80.6155178.169.30000110.6T88 R92 E93 V94T88-S90 PolarHBondContact O-N 3.32Å; S90-R92 PolarHBondContact O-N 3.36Å; S90-E93 WeakPolarHBondContact CA-OE2 3.01Å; S90-E93 WeakPolarHBondContact CB-OE2 3.5Å; S90-E93 PolarHBondContact N-OE2 3.03Å; S90-E93 WeakPolarHBondContact O-CA 3.35Å; S90-E93 WeakPolarHBondContact O-CB 3.33Å; S90-E93 PolarHBondContact O-N 3.4Å; S90-E93 PolarHBondContact OG-N 3.25Å; S90-E93 PolarHBondContact OG-OE2 3.09Å; S90-V94 PolarHBondContact O-N 3.46Å; S90-V94 VanDerWaalsContact O-N 3.12Å
91V56.4Low49.4Very low96 Ų96104.5 Ų104.558%0.58256%0.561SS**Hα-helixtrans-52.3-40.7176.4-176.30000110.5E93 V94 D95V91-E93 VanDerWaalsContact C-N 3.34Å; V91-E93 PolarHBondContact O-N 3.12Å; V91-V94 CarbonylContact O-C 3.23Å; V91-V94 WeakPolarHBondContact O-CA 3.39Å; V91-V94 VanDerWaalsContact O-CB 3.3Å; V91-V94 WeakPolarHBondContact O-CB 3.27Å; V91-V94 PolarHBondContact O-N 2.94Å; V91-D95 PolarHBondContact O-N 2.71Å
92R58.5Low49.7Very low128 Ų128105.7 Ų105.748%0.48357%0.572SS.*Hα-helixtrans-61.8-31.5173.4-80.1-170-59.2-107.4-10.8115.6S90 V94 D95 E96 Y361S90-R92 PolarHBondContact O-N 3.36Å; R92-V94 VanDerWaalsContact C-N 3.31Å; R92-D95 WeakPolarHBondContact CA-OD2 3.23Å; R92-D95 PolarHBondContact N-OD2 3.2Å; R92-D95 PolarHBondContact O-N 3.28Å; R92-E96 WeakPolarHBondContact O-CB 3.49Å; R92-E96 PolarHBondContact O-N 2.9Å; R92-Y361 VanDerWaalsContact NH2-CE1 3.25Å
93E66.3Low49.4Very low90 Ų90102.8 Ų102.842%0.42155%0.554SS.*Hα-helixtrans-73.9-27.8173-74.4153.9123.800110.6I89 S90 V91 I97I89-E93 HydrophobicContact CG2-CB 3.8Å; S90-E93 WeakPolarHBondContact CA-OE2 3.01Å; S90-E93 WeakPolarHBondContact CB-OE2 3.5Å; S90-E93 PolarHBondContact N-OE2 3.03Å; S90-E93 WeakPolarHBondContact O-CA 3.35Å; S90-E93 WeakPolarHBondContact O-CB 3.33Å; S90-E93 PolarHBondContact O-N 3.4Å; S90-E93 PolarHBondContact OG-N 3.25Å; S90-E93 PolarHBondContact OG-OE2 3.09Å; V91-E93 VanDerWaalsContact C-N 3.34Å; V91-E93 PolarHBondContact O-N 3.12Å; E93-I97 WeakPolarHBondContact O-CB 3.28Å; E93-I97 WeakPolarHBondContact O-CD1 3.46Å; E93-I97 WeakPolarHBondContact O-CG1 3.43Å; E93-I97 PolarHBondContact O-N 2.74Å
94V65.2Low49.2Very low66 Ų66100.7 Ų100.740%0.456%0.555SS.*Hα-helixtrans-71.1-45.7167.9-171.10000110.5I89 S90 V91 R92 E96 I97 L98I89-V94 HydrophobicContact CG2-CG2 3.74Å; S90-V94 PolarHBondContact O-N 3.46Å; S90-V94 VanDerWaalsContact O-N 3.12Å; V91-V94 CarbonylContact O-C 3.23Å; V91-V94 WeakPolarHBondContact O-CA 3.39Å; V91-V94 VanDerWaalsContact O-CB 3.3Å; V91-V94 WeakPolarHBondContact O-CB 3.27Å; V91-V94 PolarHBondContact O-N 2.94Å; R92-V94 VanDerWaalsContact C-N 3.31Å; V94-E96 VanDerWaalsContact C-N 3.31Å; V94-E96 PolarHBondContact O-N 3.26Å; V94-I97 PolarHBondContact O-N 2.73Å; V94-L98 HydrophobicContact CG1-CD1 3.9Å; V94-L98 HydrophobicContact CG1-CG 4.27Å; V94-L98 VanDerWaalsContact O-CB 3.3Å; V94-L98 WeakPolarHBondContact O-CB 3.42Å; V94-L98 VanDerWaalsContact O-CG 3.28Å; V94-L98 WeakPolarHBondContact O-CG 3.39Å; V94-L98 PolarHBondContact O-N 3.42Å
95D63.4Low49Very low80 Ų80102.4 Ų102.443%0.42857%0.565SS.*Hα-helixtrans-62.6-36.7176.8-51.9-34.4000111.6V91 R92 S99V91-D95 PolarHBondContact O-N 2.71Å; R92-D95 WeakPolarHBondContact CA-OD2 3.23Å; R92-D95 PolarHBondContact N-OD2 3.2Å; R92-D95 PolarHBondContact O-N 3.28Å; D95-S99 VanDerWaalsContact O-CB 3.27Å; D95-S99 WeakPolarHBondContact O-CB 3.32Å; D95-S99 PolarHBondContact O-N 3.22Å; D95-S99 PolarHBondContact O-OG 3.12Å
96E68Low48.7Very low121 Ų12198.5 Ų98.557%0.56556%0.56SS**Hα-helixtrans-73.8-37.5176.7-169.9166.9-129.800110.8R92 V94 S99 N100R92-E96 WeakPolarHBondContact O-CB 3.49Å; R92-E96 PolarHBondContact O-N 2.9Å; V94-E96 VanDerWaalsContact C-N 3.31Å; V94-E96 PolarHBondContact O-N 3.26Å; E96-S99 WeakPolarHBondContact CA-OG 3.43Å; E96-S99 PolarHBondContact O-OG 2.92Å; E96-N100 WeakPolarHBondContact O-CB 3.27Å; E96-N100 PolarHBondContact O-N 3.05Å; E96-N100 PolarHBondContact O-ND2 3.04Å
97I59.6Low48.3Very low81 Ų8196.8 Ų96.842%0.41556%0.558SS.*Hα-helixtrans-67.3-43.1170.2-72.3166.2000111.1E93 V94 N100 L101E93-I97 WeakPolarHBondContact O-CB 3.28Å; E93-I97 WeakPolarHBondContact O-CD1 3.46Å; E93-I97 WeakPolarHBondContact O-CG1 3.43Å; E93-I97 PolarHBondContact O-N 2.74Å; V94-I97 PolarHBondContact O-N 2.73Å; I97-N100 CarbonylContact O-C 3.59Å; I97-N100 PolarHBondContact O-N 3.24Å; I97-L101 HydrophobicContact CG2-CD1 3.94Å; I97-L101 VanDerWaalsContact O-CG 3.3Å; I97-L101 WeakPolarHBondContact O-CG 3.28Å; I97-L101 PolarHBondContact O-N 2.96Å; I97-L101 VanDerWaalsContact O-N 3.14Å
98L55.5Low47.7Very low91 Ų9198.9 Ų98.948%0.47657%0.572SS.*Hα-helixtrans-65.3-44.9178.1-76.5171.6000111.5V94 N100 L101 T102V94-L98 HydrophobicContact CG1-CD1 3.9Å; V94-L98 HydrophobicContact CG1-CG 4.27Å; V94-L98 VanDerWaalsContact O-CB 3.3Å; V94-L98 WeakPolarHBondContact O-CB 3.42Å; V94-L98 VanDerWaalsContact O-CG 3.28Å; V94-L98 WeakPolarHBondContact O-CG 3.39Å; V94-L98 PolarHBondContact O-N 3.42Å; L98-N100 VanDerWaalsContact C-N 3.32Å; L98-N100 PolarHBondContact O-N 3.12Å; L98-L101 CarbonylContact O-C 3.54Å; L98-L101 WeakPolarHBondContact O-CA 3.42Å; L98-L101 WeakPolarHBondContact O-CB 3.32Å; L98-L101 PolarHBondContact O-N 3.4Å; L98-T102 PolarHBondContact O-N 3.26Å; L98-T102 PolarHBondContact O-OG1 3.17Å; L98-T102 VanDerWaalsContact O-OG1 3.08Å
99S54.6Low47.3Very low62 Ų6297.4 Ų97.443%0.43457%0.567SS.*Hα-helixtrans-69.5-26.5176.453.40000113.3D95 E96 L101 S103D95-S99 VanDerWaalsContact O-CB 3.27Å; D95-S99 WeakPolarHBondContact O-CB 3.32Å; D95-S99 PolarHBondContact O-N 3.22Å; D95-S99 PolarHBondContact O-OG 3.12Å; E96-S99 WeakPolarHBondContact CA-OG 3.43Å; E96-S99 PolarHBondContact O-OG 2.92Å; S99-L101 PolarHBondContact O-N 3.11Å; S99-S103 VanDerWaalsContact O-CB 3.23Å; S99-S103 WeakPolarHBondContact O-CB 3.48Å; S99-S103 PolarHBondContact O-N 3.34Å; S99-S103 PolarHBondContact O-OG 2.63Å
100N52.1Low46.6Very low107 Ų107100.8 Ų100.857%0.57258%0.577SS**Hα-helixtrans-76.1-4.9166.1-76.9-65.1000113.7E96 I97 L98E96-N100 WeakPolarHBondContact O-CB 3.27Å; E96-N100 PolarHBondContact O-N 3.05Å; E96-N100 PolarHBondContact O-ND2 3.04Å; I97-N100 CarbonylContact O-C 3.59Å; I97-N100 PolarHBondContact O-N 3.24Å; L98-N100 VanDerWaalsContact C-N 3.32Å; L98-N100 PolarHBondContact O-N 3.12Å
101L46.1Very low45.7Very low127 Ų127105 Ų10567%0.66560%0.604SS**Hα-helixtrans-108.2-31.4173.7-72.9166.6000112.9I97 L98 S99I97-L101 HydrophobicContact CG2-CD1 3.94Å; I97-L101 VanDerWaalsContact O-CG 3.3Å; I97-L101 WeakPolarHBondContact O-CG 3.28Å; I97-L101 PolarHBondContact O-N 2.96Å; I97-L101 VanDerWaalsContact O-N 3.14Å; L98-L101 CarbonylContact O-C 3.54Å; L98-L101 WeakPolarHBondContact O-CA 3.42Å; L98-L101 WeakPolarHBondContact O-CB 3.32Å; L98-L101 PolarHBondContact O-N 3.4Å; S99-L101 PolarHBondContact O-N 3.11Å
102T42.4Very low44.5Very low113 Ų113106.1 Ų106.169%0.69361%0.611SS**Hα-helixtrans-93.4-12.7177.559.30000113.5L98 A104L98-T102 PolarHBondContact O-N 3.26Å; L98-T102 PolarHBondContact O-OG1 3.17Å; L98-T102 VanDerWaalsContact O-OG1 3.08Å; T102-A104 PolarHBondContact O-N 3.22Å
103S34.1Very low43.3Very low61 Ų61108.2 Ų108.243%0.42763%0.632SS.*SBendtrans-67.9115161.647.40000109.2S99 N105S99-S103 VanDerWaalsContact O-CB 3.23Å; S99-S103 WeakPolarHBondContact O-CB 3.48Å; S99-S103 PolarHBondContact O-N 3.34Å; S99-S103 PolarHBondContact O-OG 2.63Å; S103-N105 PolarHBondContact O-N 3.03Å; S103-N105 VanDerWaalsContact O-N 3.11Å
104A31Very low41.6Very low90 Ų90106.9 Ų106.974%0.74464%0.642SS**  trans-57.1119.4179.300000110T102 S106T102-A104 PolarHBondContact O-N 3.22Å; A104-S106 PolarHBondContact O-N 3.17Å
105N31Very low39.9Very low148 Ų148111.6 Ų111.679%0.79166%0.664SS**  trans-70.867.1176.7-86.6-73.6000110.8S103 S107S103-N105 PolarHBondContact O-N 3.03Å; S103-N105 VanDerWaalsContact O-N 3.11Å; N105-S107 PolarHBondContact O-N 3.46Å
106S29.1Very low38.1Very low110 Ų110112.9 Ų112.977%0.76968%0.678SS**  trans-54.7123.7163.7520000108.3A104A104-S106 PolarHBondContact O-N 3.17Å
107S28.3Very low36.3Very low92 Ų92112 Ų11264%0.64369%0.685SS**  trans-54139-167.357.30000112.1N105 S109N105-S107 PolarHBondContact O-N 3.46Å; S107-S109 PolarHBondContact O-N 2.79Å
108P29.6Very low34.9Very low136 Ų136114.8 Ų114.888%0.88370%0.7SS**  trans-69.580.8173.329.7-34.8000110.1K110P108-K110 PolarHBondContact O-N 2.82Å
109S31.1Very low33.8Very low101 Ų101117 Ų11771%0.70671%0.712SS**  trans-65.4131.6178.857.80000109.7S107 P111S107-S109 PolarHBondContact O-N 2.79Å; S109-P111 WeakPolarHBondContact O-CD 3.17Å
110K28.1Very low32.5Very low184 Ų184120.3 Ų120.380%0.873%0.729SS**  trans-66.9115.2-166.5-165.2175.3-174.8178.10110P108 T112P108-K110 PolarHBondContact O-N 2.82Å; K110-T112 PolarHBondContact O-N 3.4Å; K110-T112 PolarHBondContact O-OG1 3.24Å; K110-T112 VanDerWaalsContact O-OG1 3.07Å
111P29.3Very low31.5Very low120 Ų120121.9 Ų121.978%0.77974%0.743SS**  trans-69.696-176.427.5-34.1000110S109 N113S109-P111 WeakPolarHBondContact O-CD 3.17Å; P111-N113 PolarHBondContact O-N 3.39Å
112T31.4Very low30.5Very low121 Ų121123.8 Ų123.874%0.74275%0.748SS**  trans-86.193-174.5-56.10000108.9K110 G114K110-T112 PolarHBondContact O-N 3.4Å; K110-T112 PolarHBondContact O-OG1 3.24Å; K110-T112 VanDerWaalsContact O-OG1 3.07Å; T112-G114 PolarHBondContact O-N 3.3Å
113N32.1Very low30.1Very low171 Ų171126 Ų12691%0.91475%0.754SS**  trans-61.7107.8173.7-84.4-31.3000110.1P111P111-N113 PolarHBondContact O-N 3.39Å
114G30.7Very low29.7Very low62 Ų62128.9 Ų128.964%0.63976%0.764SS**  trans-15949.1-169.700000114.6T112T112-G114 PolarHBondContact O-N 3.3Å
115I29.9Very low29.4Very low166 Ų166133.4 Ų133.485%0.85177%0.768SS**  trans23.5112.4153.8-50169000116.8
116C26.5Very low29.4Very low106 Ų106132.2 Ų132.272%0.71677%0.77SS**  179.2151.299.8-155.20000112.9
117S30.5Very low29.3Very low103 Ų103133.1 Ų133.172%0.7277%0.766SS**  trans36.7150.1147.155.30000123.6
118N29.8Very low29.3Very low139 Ų139135.8 Ų135.874%0.74377%0.771SS**  cis-177.1149.3-25-153.29.1000107.3
119I31.4Very low29.2Very low139 Ų139134.9 Ų134.971%0.71377%0.768SS**  trans66120.5169.7-51.6154.1000113.6
120T27.5Very low29.1Very low130 Ų130134.2 Ų134.280%0.79876%0.757SS**  cis85.286.134.4-48.80000115.4
121T32.4Very low29Very low141 Ų141131.9 Ų131.987%0.86575%0.753SS**  trans-143.4141.8150.934.90000110.5
122H25.3Very low29.2Very low167 Ų167134 Ų13477%0.77376%0.757SS**  trans-70.5162.8159.7-87.5-123.8000109.6
123I32.4Very low28.9Very low160 Ų160133.3 Ų133.382%0.82176%0.756SS**  -175.9148.9109.4-90.8155.8000111.8
124N27.5Very low28.9Very low120 Ų120134.4 Ų134.464%0.64276%0.756SS**  trans-38.5161.6177.3-62-6.8000119.7
125F24.2Very low28.8Very low185 Ų185138.8 Ų138.881%0.81177%0.765SS**  trans14.9133.6136.3-62.6-103.7000119.1
126C30.1Very low28.8Very low124 Ų124136.7 Ų136.784%0.83877%0.765SS**  -170.3168107.6-103.60000113
127D27.5Very low28.9Very low129 Ų129138.5 Ų138.569%0.6977%0.772SS**  trans-88.5157.4-161.9-52.9-88.7000116.2
128I27.8Very low28.8Very low147 Ų147136.8 Ų136.875%0.75477%0.771SS**  trans37.5124.3135.2-57.7164.3000119.4
129S27.7Very low28.8Very low117 Ų117141.4 Ų141.482%0.81878%0.779SS**  -158.5136.2127.6-400000112
130D28.3Very low28.6Very low87 Ų87142 Ų14247%0.46578%0.782SS.*  trans-85.7171.5165.5-69.2-52.9000111.9
131N27.3Very low28.9Very low136 Ų136145.4 Ų145.473%0.72779%0.786SS**  trans77.5148.8174.4-43.4-80.4000114.1
132L32.2Very low28.7Very low163 Ų163143.8 Ų143.885%0.85378%0.781SS**  cis-150.5158.330.7-16968.6000112.4
133C26.8Very low29.1Very low108 Ų108139.7 Ų139.773%0.7378%0.784SS**  trans-72.5155.5176.3-46.80000113.5
134Q32.3Very low29.1Very low193 Ų193136.2 Ų136.290%0.90278%0.779SS**  174148.4111.8-95.3176.42.200113.1
135D26.8Very low29.2Very low155 Ų155139.1 Ų139.183%0.82979%0.791SS**  trans-66.2146.6167.2-60.2-81.5000112.2
136S31.3Very low29.7Very low122 Ų122134.4 Ų134.485%0.85378%0.781SS**  trans-159.7127.3146.8-89.90000114.4
137V28.6Very low29.9Very low143 Ų143135.8 Ų135.887%0.86778%0.78SS**  trans-33.2135.21631780000113.5
138G27.1Very low30.2Very low67 Ų67135 Ų13569%0.69178%0.782SS**  trans-72.2170.3-171.800000116.3
139Y31Very low30.5Very low236 Ų236136 Ų13693%0.92578%0.783SS**  trans-133.7133.8172.4-113.9-86.4000111.6
140I28Very low30.9Very low152 Ų152134.6 Ų134.678%0.77977%0.771SS**  trans-93.4129.2177.8-59.6169.6000109.7
141K33Very low31.2Very low201 Ų201138.7 Ų138.787%0.87479%0.785SS**  trans-156.2109.1157-110.2165.2-178.8174.30108.3
142S28.8Very low31.5Very low108 Ų108138.7 Ų138.776%0.75579%0.785SS**  cis93.1121.448.7-690000112.6
143G32.3Very low31.7Very low81 Ų81133.6 Ų133.684%0.83577%0.772SS**  trans112.6133.7177.200000112.9
144A32.8Very low32.1Very low86 Ų86137.2 Ų137.271%0.71178%0.775SS**  cis-160.7142.4-8.400000111.5
145M30.2Very low31.9Very low182 Ų182134.6 Ų134.690%0.89777%0.767SS**  trans61.5139.3141.3-66.1-179.989.900119.3
146S35.1Very low32Very low86 Ų86132.6 Ų132.660%0.60176%0.764SS**  cis-167.5158.96.248.50000113.9
147N33.1Very low31.8Very low152 Ų152131.6 Ų131.681%0.81376%0.757SS**  trans77.7151144.4-73.20.3000119.2
148P33.7Very low32Very low114 Ų114130 Ų13074%0.7475%0.753SS**  -134.2-175.9-125.243.7-28.7000116.3
149H34.4Very low32Very low167 Ų167136 Ų13677%0.77376%0.762SS**  trans-25.7151154.7-119.1-48000115.1
150P36.7Very low31.8Very low87 Ų87129.5 Ų129.557%0.56575%0.751SS**  -141.5169.6104.240-29.6000115.8
151F34.2Very low31.8Very low173 Ų173128.8 Ų128.876%0.75975%0.754SS**  trans78.1142.3152.8-61.8-39000120.6
152N34Very low31.7Very low137 Ų137127.9 Ų127.973%0.73375%0.75SS**  cis-163.8166.2-24.4-153.9-14.9000109.4
153G35.2Very low31.8Very low56 Ų56128.8 Ų128.858%0.57775%0.751SS**  trans99.5112173.200000111.6
154K35.3Very low31.6Very low184 Ų184129.3 Ų129.380%0.874%0.741SS**  69.9137.558.1-66.7-179.6177.8-178.60113.3
155N28.4Very low31.4Very low138 Ų138132.7 Ų132.774%0.73875%0.747SS**  cis-174.8163.2-21-115.812.8000107
156C28.1Very low31.3Very low112 Ų112129.9 Ų129.976%0.75773%0.734SS**  trans65.7127.5164-61.10000114.9
157S28.2Very low31Very low102 Ų102129.8 Ų129.871%0.71373%0.727SS**  cis63.893.938.6-161.20000113.9
158S32.7Very low30.8Very low110 Ų110128.7 Ų128.777%0.76972%0.717SS**  trans-178.380.3162.1-76.70000105.8
159Q26.2Very low30.5Very low192 Ų192127.2 Ų127.290%0.89771%0.709SS**  50.871.969.7-161.1-177.920.600112.4
160S27.9Very low30.3Very low99 Ų99128 Ų12869%0.69271%0.713SS**  trans-152.2117.7164.355.10000112
161V28.7Very low30Very low137 Ų137127.7 Ų127.783%0.8372%0.718SS**  trans52.5115.6141-171.80000116.1
162K30Very low29.8Very low182 Ų182126.3 Ų126.379%0.79172%0.717SS**  -161.9135.553.8-152.7170.3178.1-173.30112.3
163V30.1Very low29.6Very low128 Ų128127.7 Ų127.778%0.77672%0.719SS**  trans44138.8142.3174.10000119.5
164S29.6Very low29.5Very low91 Ų91132.6 Ų132.664%0.63673%0.727SS**  cis-168.1138.2-21.7-840000104.4
165L27.2Very low29.3Very low158 Ų158130.4 Ų130.483%0.82772%0.724SS**  51.2128.477.1-90.3167.7000114.7
166I29.3Very low29.4Very low123 Ų123130 Ų13063%0.63173%0.726SS**  trans104.598.7159-61158.8000117.4Q1000I166-Q1000 PolarHBondContact O-OE1 2.94Å
167N27.7Very low29.6Very low83 Ų83128.5 Ų128.544%0.44472%0.722SS.*  trans86.7135.5132.7-74.424.6000124Q999 Q1000N167-Q999 PolarHBondContact O-NE2 3.35Å; N167-Q1000 PolarHBondContact O-NE2 3.06Å
168E29.1Very low29.5Very low130 Ų130130.8 Ų130.861%0.60773%0.726SS**  trans62.7161.5131.4-60.9168.7136.100122.3Q999E168-Q999 VanDerWaalsContact C-NE2 3.26Å; E168-Q999 PolarHBondContact O-NE2 2.98Å
169S28.5Very low29.4Very low83 Ų83133 Ų13358%0.5873%0.729SS**  trans33128.114659.60000121.5
170E29.1Very low29.6Very low182 Ų182129.1 Ų129.185%0.8572%0.724SS**  trans70.3129.1131.5-64179.1134.200121
171A29.9Very low29.6Very low81 Ų81128.7 Ų128.767%0.66972%0.721SS**  trans71.7113.9133.300000121.9
172I30.7Very low29.4Very low144 Ų144129.3 Ų129.374%0.73872%0.716SS**  85.2119.4123.9-66.5174.2000119
173E30Very low29.1Very low167 Ų167125.1 Ų125.178%0.7871%0.709SS**  trans85.9120.2150.6-73166.7-162.500124.4
174H32.4Very low28.9Very low159 Ų159126.2 Ų126.274%0.73671%0.708SS**  trans53.5104.6139.8-84.3-81.2000122.5
175N30.6Very low28.6Very low137 Ų137128.9 Ų128.973%0.73372%0.716SS**  175.5133.687.1-92.8-28.3000116.5
176V32.2Very low28.6Very low129 Ų129126.8 Ų126.878%0.78271%0.714SS**  trans47.4117.9141.5-172.50000122
177A30.5Very low28.6Very low81 Ų81125.9 Ų125.967%0.66972%0.717SS**  trans61.3135151.900000119.4
178N27.8Very low28.5Very low150 Ų150133 Ų13380%0.80274%0.737SS**  cis-140.8171-4.9-94.2-24000109
179D30.7Very low28.5Very low156 Ų156132 Ų13283%0.83474%0.74SS**  trans60.8116.8-178.3-66.6-18.9000116.8
180S29.2Very low28.5Very low112 Ų112134.9 Ų134.978%0.78375%0.748SS**  trans-170.8168.5149.4-93.90000113.7N1228S180-N1228 PolarHBondContact O-ND2 3.37Å
181S27.8Very low28.5Very low90 Ų90129.3 Ų129.363%0.62974%0.74SS**  trans-77.7168-177.656.90000115.3
182M25.1Very low28.4Very low149 Ų149131.4 Ų131.473%0.73474%0.739SS**  trans68.9107.7153.4-74.5-175.666.100120.4
183C22.9Very low28.3Very low94 Ų94127.9 Ų127.964%0.63573%0.726SS**  76.4166.2121.9-58.30000121
184I25.7Very low28.3Very low151 Ų151123.3 Ų123.377%0.77471%0.709SS**  trans78.4110.4162.3-61.2144.4000116.3
185N23.5Very low28Very low147 Ų147119.4 Ų119.479%0.78670%0.7SS**  trans27.1131.9141.2-58.8-13.7000120.2
186S28.1Very low28Very low115 Ų115117 Ų11780%0.80469%0.693SS**  30.4128127.5-94.90000117.7
187P28.4Very low27.9Very low104 Ų104117.6 Ų117.668%0.67569%0.692SS**  -147.4177.673.844.4-29.9000115.5
188R26.9Very low27.9Very low232 Ų232117.3 Ų117.388%0.87568%0.682SS**  32.2139128.8-62.9174.9-176.8168.5-0.1118.1
189V29.1Very low27.8Very low109 Ų109114.8 Ų114.866%0.66168%0.675SS**  cis-164.3165.419.3103.60000112.2
190D28.3Very low27.7Very low143 Ų143113.8 Ų113.877%0.76567%0.665SS**  trans-1.5116.7155.3-36-33.1000118.1
191G29Very low27.8Very low65 Ų65113.2 Ų113.267%0.6766%0.657SS**  96.414693.100000119.8
192L26.5Very low27.8Very low126 Ų126113.1 Ų113.166%0.6665%0.649SS**  trans74.4174.7157-47.4172.4000113.3
193P30.6Very low28Very low70 Ų70110.7 Ų110.746%0.45564%0.643SS.*  -145.1-158.2-106.935.3-9.3000115.8V208P193-V208 HydrophobicContact CG-CB 4.36Å; P193-V208 HydrophobicContact CG-CG1 3.86Å
194V28.5Very low28.1Very low70 Ų70109 Ų10942%0.42463%0.627SS.*  trans101.7115.3153.8-164.30000119T207 V208V194-T207 HydrophobicContact CB-CG2 4.23Å; V194-T207 HydrophobicContact CG1-CG2 3.89Å; V194-V208 HydrophobicContact CG2-CB 4.33Å; V194-V208 HydrophobicContact CG2-CG1 3.68Å; V194-V208 HydrophobicContact CG2-CG2 4.13Å
195S27.4Very low28Very low77 Ų77106.2 Ų106.254%0.53861%0.613SS.*  trans58136.3154.874.30000119.1T207S195-T207 VanDerWaalsContact N-CG2 3.29Å
196S30.7Very low28.1Very low86 Ų86103.1 Ų103.160%0.60160%0.603SS**  -176.8152.650.145.70000113.5
197N30Very low27.9Very low142 Ų142101 Ų10176%0.75959%0.585SS**  trans53.1125.9143.2-63.7-9.2000122.1
198V30.3Very low27.8Very low76 Ų76100.4 Ų100.446%0.46158%0.58SS.*  cis-178.1160.1-36.9140.20000107.1L204V198-L204 HydrophobicContact CB-CD2 3.99Å; V198-L204 HydrophobicContact CG1-CD2 4.36Å; V198-L204 HydrophobicContact CG2-CD2 3.51Å
199C26.2Very low27.8Very low97 Ų9793.2 Ų93.266%0.65557%0.565SS**  trans74.5131.1176.5-67.50000117.5
200H27.3Very low27.6Very low134 Ų13490.5 Ų90.562%0.6255%0.551SS**SBendcis-132.732.1-23-140.47.6000113.5
201T32.2Very low27.6Very low100 Ų10092.5 Ų92.561%0.61356%0.556SS**SBendtrans-50.6153.9136.3-29.40000109.2V203T201-V203 HydrophobicContact CG2-CB 4.36Å; T201-V203 HydrophobicContact CG2-CG2 3.55Å
202L28.2Very low27.5Very low89 Ų8993.7 Ų93.747%0.46656%0.559SS.*SBendtrans-119.5108.5156.9-53.6174.9000106L204 K250L202-L204 HydrophobicContact CD2-CD1 3.53Å; L202-L204 HydrophobicContact CD2-CG 4.01Å; L202-K250 HydrophobicContact CD1-CD 3.86Å; L202-K250 VanDerWaalsContact CD2-NZ 3.32Å
203V29Very low27.7Very low98 Ų9891 Ų9159%0.59456%0.562SS**  cis52.7177.54.2-165.60000112.6T201T201-V203 HydrophobicContact CG2-CB 4.36Å; T201-V203 HydrophobicContact CG2-CG2 3.55Å
204L25.4Very low27.6Very low59 Ų5994.9 Ų94.931%0.30958%0.579SS.*  trans6873.1175.3-27.8-178.6000112.9V198 L202V198-L204 HydrophobicContact CB-CD2 3.99Å; V198-L204 HydrophobicContact CG1-CD2 4.36Å; V198-L204 HydrophobicContact CG2-CD2 3.51Å; L202-L204 HydrophobicContact CD2-CD1 3.53Å; L202-L204 HydrophobicContact CD2-CG 4.01Å
205D23.4Very low27.5Very low91 Ų9196 Ų9649%0.48759%0.59SS.*  cis-157.1-178.93.1-96.7-57.2000110.2
206S25.6Very low27.5Very low82 Ų82100.5 Ų100.557%0.57360%0.6SS**  trans-46.6168.7141.9-51.70000111.6
207T23.6Very low27.6Very low70 Ų70102.5 Ų102.543%0.42960%0.598SS.*  168.1141.991.861.70000107.4V194 S195V194-T207 HydrophobicContact CB-CG2 4.23Å; V194-T207 HydrophobicContact CG1-CG2 3.89Å; S195-T207 VanDerWaalsContact N-CG2 3.29Å
208V26.2Very low27.5Very low93 Ų9396.8 Ų96.856%0.56457%0.568SS**  trans46.6154165.1-91.60000119.7P193 V194P193-V208 HydrophobicContact CG-CB 4.36Å; P193-V208 HydrophobicContact CG-CG1 3.86Å; V194-V208 HydrophobicContact CG2-CB 4.33Å; V194-V208 HydrophobicContact CG2-CG1 3.68Å; V194-V208 HydrophobicContact CG2-CG2 4.13Å
209S25.6Very low27.4Very low81 Ų8197.6 Ų97.657%0.56657%0.569SS**  cis-143.7141.8-12.6-135.40000106.7
210S25.7Very low27.4Very low51 Ų5197.8 Ų97.836%0.35756%0.563SS.*  51.2141.6101.186.90000116.3
211E27.6Very low27.5Very low185 Ų18596.2 Ų96.286%0.86456%0.563SS**  trans71149.4162.8-59.4179.2169.600117.7
212A28.8Very low27.2Very low91 Ų9198.3 Ų98.375%0.75257%0.57SS**  cis-159.8128.5-27.400000111
213G29.9Very low27.3Very low70 Ų70100.1 Ų100.172%0.72258%0.58SS**  trans70175.7156.600000118.2
214N29.2Very low27.3Very low151 Ų151100.7 Ų100.781%0.80759%0.589SS**  trans48.587.8155.3-51.3-25.9000116.3
215S25Very low27.6Very low93 Ų93102.7 Ų102.765%0.6561%0.605SS**  65.6164.867.492.60000114.1
216F28.4Very low28Very low171 Ų171105.5 Ų105.575%0.7562%0.62SS**  trans76.298.7-173.8-66.6-88.7000118.8
217K32.2Very low28.1Very low128 Ų128106.1 Ų106.156%0.55763%0.625SS**  70.3108.6116.6-67-160176.4-177.30121.7
218D28.3Very low28.2Very low23 Ų23107.5 Ų107.512%0.12364%0.636CS.*  77.5124.1109.2-56.7-24.8000123.5T16 T17 G18 R19T16-D218 WeakPolarHBondContact CB-O 3.31Å; T17-D218 VanDerWaalsContact CA-OD2 3.3Å; T17-D218 WeakPolarHBondContact CA-OD2 3.48Å; G18-D218 PolarHBondContact N-OD1 3.41Å; G18-D218 PolarHBondContact N-OD2 2.97Å; R19-D218 WeakPolarHBondContact CB-OD1 3.48Å; R19-D218 PolarHBondContact N-OD1 2.84Å
219L27.5Very low28.2Very low92 Ų92111.7 Ų111.748%0.48265%0.649SS.*  trans61.9170.3140-81.173.2000115.4T16 T17T16-L219 VanDerWaalsContact CG2-C 3.45Å; T16-L219 HydrophobicContact CG2-CB 3.74Å; T17-L219 VanDerWaalsContact O-CD2 3.31Å; T17-L219 WeakPolarHBondContact O-CD2 3.26Å
220N26.8Very low28.4Very low101 Ų101115 Ų11554%0.5466%0.659SS.*  cis-139.3156.9-17.5-128.23.3000109.7T16T16-N220 HydrophobicContact CG2-CB 4.2Å
221T28.4Very low28.3Very low102 Ų102117.2 Ų117.263%0.62667%0.674SS**  trans4.8130.6133.2-230000117.8
222L27.3Very low28.4Very low143 Ų143113.4 Ų113.475%0.74967%0.668SS**  -168.2138.7107.8-119.970000112.9
223D29.1Very low28.4Very low128 Ų128114.1 Ų114.168%0.68467%0.667SS**  trans45.2115.7142.1-53.8-12.9000122.2
224S28.4Very low28.3Very low110 Ų110121.6 Ų121.677%0.76967%0.674SS**  21.4161.993-61.20000119.5
225P33.2Very low28.2Very low100 Ų100119.9 Ų119.965%0.64966%0.664SS**  cis-134.2-156.29.930.9-6000112.9
226N31.5Very low28.4Very low150 Ų150122.4 Ų122.480%0.80267%0.666SS**  trans76.8156.1157.9-58.4-28.6000118
227S27.4Very low28.3Very low96 Ų96116.2 Ų116.267%0.67164%0.642SS**  cis-176.4156-29.9-169.80000108
228C26.4Very low28.1Very low98 Ų98115.7 Ų115.766%0.66264%0.644SS**  trans53.5107.8157.4-70.70000121.1
229H26.6Very low28.3Very low181 Ų181120 Ų12084%0.83867%0.667SS**  71.7168.6122.3-77.5-77.6000122.5
230I28.4Very low28.4Very low152 Ų152117.8 Ų117.878%0.77966%0.662SS**  trans85.784.9163.6-43.3-168.8000116.2
231S23.5Very low28.6Very low97 Ų97121.6 Ų121.668%0.67868%0.676SS**  trans-55.3133.2159.9-8.70000112.4
232S30.5Very low28.5Very low105 Ų105124.1 Ų124.173%0.73468%0.681SS**  trans-160.498.4154.3-87.70000114.1
233S27.9Very low28.6Very low106 Ų106125.9 Ų125.974%0.74169%0.685SS**  51.1124.7110.2-57.20000121.4
234R28.7Very low28.6Very low227 Ų227122.6 Ų122.686%0.85768%0.681SS**  trans86.4130.8148.3-66.9177.9174.7-153.8-3.1119.9
235L26.5Very low28.6Very low115 Ų115125.3 Ų125.360%0.60269%0.687SS**  36.8139.2121.9-55.7163.4000117.9
236Q29.7Very low28.3Very low146 Ų146129.2 Ų129.268%0.68270%0.697SS**  cis-157.214835.8-125.8133.2-19.900111.5
237T25.3Very low28.2Very low40 Ų40128.2 Ų128.225%0.24570%0.696CS.*  47.9173.1118.1-49.70000120.7S1433 F1435T237-S1433 WeakPolarHBondContact CG2-O 3.07Å; T237-F1435 VanDerWaalsContact N-CD2 3.33Å
238I29.6Very low28.2Very low118 Ų118130.1 Ų130.161%0.60570%0.698SS**  trans76.8126.5177.4-52.3171.8000111.7
239D30.7Very low28.4Very low112 Ų112133.1 Ų133.160%0.59970%0.702SS**  cis-142.3151.1-4.5-96-21.4000107.7
240A31.2Very low28.5Very low46 Ų46131.2 Ų131.238%0.3869%0.691SS.*  cis96.1132.543.900000113T1432A240-T1432 HydrophobicContact CB-CG2 4.09Å
241E30.3Very low28.8Very low181 Ų181134 Ų13485%0.84670%0.697SS**  trans53.6124.2173.3-72.2155.7-152.100117.5
242E25.9Very low29.2Very low155 Ų155140.9 Ų140.972%0.72471%0.709SS**  cis103.1135.544.8-172.5168.4-115.100111
243H30.1Very low29Very low180 Ų180141.3 Ų141.383%0.83370%0.703SS**  trans61.1155.4-167.4-49.5-64000114.8
244G29Very low29.1Very low59 Ų59140.7 Ų140.761%0.60870%0.696SS**  cis-169.4161.9-7.300000110.6
245D28.7Very low29.2Very low167 Ų167139.8 Ų139.889%0.89369%0.693SS**  trans62.1-174.6166.5-51.7-31.8000118.4
246E27.1Very low29.2Very low182 Ų182137.3 Ų137.385%0.8568%0.682SS**  trans-71.5-165.9-148.4-53.9-178.7102.100117.8
247V28.5Very low29.2Very low129 Ų129135.6 Ų135.678%0.78268%0.682SS**  trans82.193.1169.1-166.80000116.9
248L27.3Very low29.6Very low136 Ų136134.5 Ų134.571%0.71268%0.676SS**  42.1111.4126.4-151.479.8000118.9
249H31.4Very low29.5Very low162 Ų162137.2 Ų137.275%0.7569%0.69SS**  17472.2126-94.3-73.9000114.7
250K28.5Very low29.6Very low140 Ų140135.9 Ų135.961%0.60968%0.681SS**  trans42.784.1131.3-166.5-169.7-62.4176.90117.8L202L202-K250 HydrophobicContact CD1-CD 3.86Å; L202-K250 VanDerWaalsContact CD2-NZ 3.32Å
251K34.4Very low29.8Very low210 Ų210137.9 Ų137.991%0.91369%0.692SS**  trans-128.9132.7156.4-142.5163.7-171169.90110.8N253K251-N253 PolarHBondContact O-N 3.16Å
252R31.2Very low29.9Very low242 Ų242137.4 Ų137.491%0.91369%0.692SS**  trans-71117.4-164.5-77.8179171.4152.2-3.9112.3
253N27.9Very low30.3Very low114 Ų114133.4 Ų133.461%0.6169%0.685SS**  trans-69.1128.3164.9-146.8-26.5000108.4K251 R255K251-N253 PolarHBondContact O-N 3.16Å; N253-R255 PolarHBondContact O-N 3.02Å
254P29.6Very low30.4Very low93 Ų93131 Ų13160%0.60468%0.679SS**  trans-72.478.7171.431.1-34.1000108.6T256P254-T256 PolarHBondContact O-N 2.74Å
255R30.9Very low30.7Very low208 Ų208136.4 Ų136.479%0.78569%0.692SS**  trans-60.7109.4173.1-88.8-170.7173.2-179.4-0.9108.2N253 V257N253-R255 PolarHBondContact O-N 3.02Å; R255-V257 PolarHBondContact O-N 3.18Å
256T26.4Very low30.8Very low63 Ų63133 Ų13339%0.38767%0.673SS.*  trans-52.585.4158.427.70000109.5P254 S258 S681 N682 L683P254-T256 PolarHBondContact O-N 2.74Å; T256-S258 PolarHBondContact O-N 3.37Å; T256-S681 WeakPolarHBondContact O-CB 3.36Å; T256-S681 PolarHBondContact O-OG 2.8Å; T256-N682 PolarHBondContact O-OD1 3.28Å; T256-N682 WeakPolarHBondContact OG1-CA 3.16Å; T256-N682 PolarHBondContact OG1-OD1 2.81Å; T256-L683 PolarHBondContact OG1-N 2.96Å
257V30.2Very low31.1Very low111 Ų111130.7 Ų130.767%0.67367%0.674SS**  trans-68.5120.8173.5177.40000107.9R255R255-V257 PolarHBondContact O-N 3.18Å
258S31.7Very low31.1Very low16 Ų16131.8 Ų131.811%0.11267%0.668CS.*  trans-55.2141.8174.1-174.30000112.2T256 Q260 S261 L680T256-S258 PolarHBondContact O-N 3.37Å; S258-Q260 PolarHBondContact O-N 3.25Å; S258-Q260 VanDerWaalsContact OG-CB 3.28Å; S258-Q260 WeakPolarHBondContact OG-CB 3.23Å; S258-Q260 PolarHBondContact OG-N 3.3Å; S258-S261 PolarHBondContact O-N 3.45Å; S258-L680 WeakPolarHBondContact OG-CA 3.26Å; S258-L680 PolarHBondContact OG-N 2.72Å
259L27.8Very low31.2Very low175 Ų175134.9 Ų134.992%0.91668%0.676SS**THydrogen-bonded Turntrans-61.74166.3-74.5165.9000114
260Q33.4Very low31Very low84 Ų84132.6 Ų132.639%0.39368%0.676SS.*THydrogen-bonded Turntrans-92.3-10.6-178.7-155.260.667.600114.8S258S258-Q260 PolarHBondContact O-N 3.25Å; S258-Q260 VanDerWaalsContact OG-CB 3.28Å; S258-Q260 WeakPolarHBondContact OG-CB 3.23Å; S258-Q260 PolarHBondContact OG-N 3.3Å
261S36Very low30.9Very low88 Ų88131.4 Ų131.462%0.61569%0.685SS**SBendtrans-114.78-165.9-165.20000116.1S258S258-S261 PolarHBondContact O-N 3.45Å
262M31.1Very low30.5Very low171 Ų171126.8 Ų126.884%0.84268%0.678SS**SBendtrans-10822.9172-61.4-163.1-56.200112.3
263A34.2Very low30.3Very low71 Ų71126.9 Ų126.959%0.58768%0.678SS**SBendtrans-90.8-18-176.500000114
264D32.7Very low30.3Very low131 Ų131126.2 Ų126.270%0.70168%0.682SS**SBendtrans-111.95.7-158.9-56.1-60000115.2
265I35.2Very low30.2Very low172 Ų172127.5 Ų127.588%0.88269%0.688SS**  trans-111.491.1172.9-55.5-176000109.6
266L32Very low30.1Very low96 Ų96122.3 Ų122.350%0.50369%0.69SS.*PPolyproline II helixtrans-69.1158.4172.3-73.2134.6000110.9F268L266-F268 HydrophobicContact CB-CD2 4.1Å; L266-F268 HydrophobicContact CB-CE2 4.32Å; L266-F268 HydrophobicContact CD1-CD2 4.26Å; L266-F268 HydrophobicContact CD1-CE1 4.3Å; L266-F268 HydrophobicContact CD1-CE2 3.77Å; L266-F268 HydrophobicContact CD1-CZ 3.8Å; L266-F268 HydrophobicContact CD2-CD1 4.05Å; L266-F268 HydrophobicContact CD2-CD2 4.15Å; L266-F268 HydrophobicContact CD2-CE1 4.34Å; L266-F268 HydrophobicContact CD2-CE2 4.43Å; L266-F268 HydrophobicContact CD2-CG 3.96Å; L266-F268 HydrophobicContact CG-CD2 4.4Å; L266-F268 HydrophobicContact CG-CE2 4.4Å
267P31.9Very low30.4Very low132 Ų132128.1 Ų128.186%0.85771%0.713SS**PPolyproline II helix-99.614584.7-21.535.8000115
268F29.2Very low30.4Very low152 Ų152130.2 Ų130.267%0.66772%0.719SS**PPolyproline II helixtrans-68.6151.2172.1-69.6-99.5000110.7L266L266-F268 HydrophobicContact CB-CD2 4.1Å; L266-F268 HydrophobicContact CB-CE2 4.32Å; L266-F268 HydrophobicContact CD1-CD2 4.26Å; L266-F268 HydrophobicContact CD1-CE1 4.3Å; L266-F268 HydrophobicContact CD1-CE2 3.77Å; L266-F268 HydrophobicContact CD1-CZ 3.8Å; L266-F268 HydrophobicContact CD2-CD1 4.05Å; L266-F268 HydrophobicContact CD2-CD2 4.15Å; L266-F268 HydrophobicContact CD2-CE1 4.34Å; L266-F268 HydrophobicContact CD2-CE2 4.43Å; L266-F268 HydrophobicContact CD2-CG 3.96Å; L266-F268 HydrophobicContact CG-CD2 4.4Å; L266-F268 HydrophobicContact CG-CE2 4.4Å
269F28.7Very low30.4Very low202 Ų202131.8 Ų131.889%0.88674%0.739SS**  trans173.7162.4131.5-82.2-47.4000108.6
270P28.4Very low30.5Very low114 Ų114128.5 Ų128.574%0.7474%0.737SS**  -100.9157.7-99.8-123.6000114.5C272P270-C272 PolarHBondContact O-N 3.45Å
271S26.1Very low30.3Very low115 Ų115132.4 Ų132.480%0.80476%0.759SS**  trans-76.1106.3-177.966.40000113.7R273S271-R273 PolarHBondContact O-N 3.14Å
272C26.1Very low30Very low112 Ų112133.3 Ų133.376%0.75777%0.772SS**  trans-75.165.6168.4-69.50000112.2P270P270-C272 PolarHBondContact O-N 3.45Å
273R27.5Very low29.9Very low244 Ų244132.8 Ų132.892%0.92177%0.772SS**  trans-119.643.2178.1-141.5174.7-162.6-113.63.4114.3S271S271-R273 PolarHBondContact O-N 3.14Å
274S26.8Very low29.5Very low100 Ų100133.3 Ų133.370%0.69978%0.784SS**  trans-146137.6159.4-1700000104.7
275V28.1Very low29.4Very low120 Ų120132.3 Ų132.373%0.72779%0.787SS**SBendcis-131.1112.940.1-177.40000111.6
276A28.2Very low29Very low100 Ų100133.1 Ų133.183%0.82679%0.788SS**SBendtrans-141.14.8167.700000113.5
277E32.2Very low28.9Very low184 Ų184133.8 Ų133.886%0.8680%0.8SS**  trans-145.531.5-177.4-136.3156.8-14800114.4
278L31.3Very low28.9Very low155 Ų155133 Ų13381%0.81280%0.798SS**  trans-10882.7137.8-80.3173.1000105.5
279G30.6Very low29.1Very low50 Ų50129.2 Ų129.252%0.51580%0.802SS.*  cis75.7109.530.400000107.2L281G279-L281 PolarHBondContact O-N 2.92Å; G279-L281 VanDerWaalsContact O-N 3.12Å
280A31.5Very low29.3Very low106 Ų106126.5 Ų126.588%0.87680%0.802SS**SBendtrans-58.7111.3-153.800000114.7
281L27.9Very low29.6Very low166 Ų166124.7 Ų124.787%0.86980%0.796SS**  trans-165.757.9156.9-108.1170.5000111.9G279G279-L281 PolarHBondContact O-N 2.92Å; G279-L281 VanDerWaalsContact O-N 3.12Å
282A29.4Very low30.1Very low107 Ų107124.9 Ų124.988%0.88479%0.793SS**  trans-135.520.5172.500000113.4
283L30.7Very low30.5Very low159 Ų159126.5 Ų126.583%0.83279%0.789SS**SBendtrans-99.2131.8159.4-78.4169.8000107.6S285L283-S285 PolarHBondContact O-N 3.36Å
284G25.1Very low30.9Very low82 Ų82122.8 Ų122.885%0.84578%0.779SS**  trans-65.6127.9176.300000111
285S31Very low31.3Very low110 Ų110126.7 Ų126.777%0.76979%0.786SS**  trans-153.686.6168.2-73.70000109.3L283L283-S285 PolarHBondContact O-N 3.36Å
286E26.3Very low31.6Very low190 Ų190130.3 Ų130.389%0.88879%0.792SS**  trans2.1123.4144.9-58.7164.8-165.400117
287S30.6Very low31.6Very low110 Ų110134.5 Ų134.577%0.76979%0.792SS**  -173.2129129.829.10000115.7
288S32.1Very low32.1Very low116 Ų116131.5 Ų131.581%0.81179%0.789SS**  trans48.4114.4142.862.60000123.2
289G32Very low32.1Very low72 Ų72131 Ų13174%0.74279%0.787SS**  trans84.7154143.900000116.7
290T34Very low32.3Very low144 Ų144133.6 Ų133.688%0.88380%0.803SS**  cis-165.2148.1-8.9240000106
291A34.2Very low32.2Very low76 Ų76134.4 Ų134.463%0.62880%0.798SS**  cis-160.3177.4-3.300000108.9
292T35.5Very low32.5Very low120 Ų120133.8 Ų133.874%0.73679%0.794SS**  trans60.9134.6161.7490000118.6
293H36.2Very low32.7Very low145 Ų145139.3 Ų139.367%0.67179%0.792SS**  cis-146.8145.314.6-98.7-45.3000114
294K35.1Very low32.7Very low166 Ų166136 Ų13672%0.72278%0.783SS**  trans50.1113.2141.3-60.1170.1-177.6171.80119.6
295H35.9Very low33.2Very low182 Ų182141.9 Ų141.984%0.84379%0.785SS**  -177.586.7114.8-98.1-79.7000108.3
296K34.8Very low33.3Very low197 Ų197140.4 Ų140.486%0.85778%0.779SS**  96.611090-164.2177-175.2-1760112.1
297F28.3Very low33.6Very low187 Ų187137.2 Ų137.282%0.8278%0.777SS**  trans-75.8166.3-172.9-72.7-89.1000115
298P42.3Very low33.8Very low121 Ų121137.9 Ų137.979%0.78678%0.781SS**  -123.7132.297.536-31.7000112.9
299N30.5Very low34Very low144 Ų144135.8 Ų135.877%0.7778%0.778SS**  72.993.272.2-92.22.5000115.9
300A36Very low34.3Very low105 Ų105138.2 Ų138.287%0.86878%0.778SS**  trans-147.2140.9150.500000108.6
301T29Very low34.4Very low123 Ų123137.9 Ų137.976%0.75577%0.772SS**  trans-123.5168.9-167.4-580000111.5
302L34.3Very low34.5Very low153 Ų153141.3 Ų141.380%0.80178%0.779SS**  trans105.9146.9162.6-57.3166.9000115.8
303R32.7Very low34.3Very low223 Ų223140 Ų14084%0.84277%0.773SS**  cis-161.1145.4-31.6-165.1172-179.4-174.21.8109.8
304S31.1Very low34.3Very low91 Ų91139.9 Ų139.964%0.63678%0.777SS**  trans-46.7145.9179.258.90000118.8
305K35.4Very low34.1Very low205 Ų205138.7 Ų138.789%0.89178%0.778SS**  159.7162.9129.9-90.3170.5178.8-174.50110.6
306A32.1Very low34Very low78 Ų78134.9 Ų134.965%0.64577%0.771SS**  cis179.3173.9-30.800000108
307C34.3Very low34.1Very low124 Ų124130.2 Ų130.284%0.83876%0.759SS**  trans71.9155.5172.2-54.70000116.9
308S33.7Very low34.6Very low123 Ų123129.3 Ų129.386%0.8676%0.755SS**  cis176.7131.6-37.9-97.40000107.5
309G36.3Very low34.2Very low72 Ų72129 Ų12974%0.74275%0.747SS**  trans171.590.6176.900000117
310T37.6Very low34.1Very low123 Ų123126 Ų12676%0.75574%0.737SS**  trans-5.6141.9147.655.10000117.8
311N37.7Very low33.8Very low138 Ų138128.5 Ų128.574%0.73873%0.734SS**  cis-167.7-170.17.9-105.8-3.3000107.7
312L35.7Very low33.9Very low148 Ų148127.1 Ų127.178%0.77573%0.729SS**  cis-157.2-171.415.5-137.2147.3000110.3
313C31.5Very low33.6Very low91 Ų91127.1 Ų127.162%0.61573%0.73SS**  trans-79.6170.4177.6-44.90000113.2
314N35.5Very low33.6Very low143 Ų143123.5 Ų123.577%0.76573%0.733SS**  cis-133.7145.510-73.7-64.6000108.7
315I31.1Very low33.5Very low142 Ų142126.5 Ų126.573%0.72874%0.741SS**  62.810259.4-54.8173.9000113.6
316S33.5Very low33.3Very low102 Ų102127.5 Ų127.571%0.71374%0.739SS**  -167106.2116.9-142.50000113.1
317T37.8Very low33.2Very low98 Ų98129.2 Ų129.260%0.60174%0.737SS**  53.5121.5125.762.60000123.5
318K37.7Very low32.9Very low169 Ų169133.5 Ų133.574%0.73574%0.736SS**  72.3150.9118.2-65.8-179.3151.5-80.40118.5
319D33.9Very low32.7Very low115 Ų115131 Ų13162%0.61572%0.718SS**  cis-166.7169.6-11-95.7-17.7000104.7
320S29.1Very low32.6Very low80 Ų80133.2 Ų133.256%0.55972%0.72SS**  cis170.4140.5-27.3660000106.3
321I29.3Very low32.2Very low157 Ų157134.9 Ų134.981%0.80572%0.722SS**  trans86.2143.1148.3-64160.4000121.7
322S31.2Very low31.8Very low94 Ų94132 Ų13266%0.65773%0.725SS**  trans68.4100.8156.663.90000124.5
323N28.5Very low31.4Very low153 Ų153130.1 Ų130.182%0.81872%0.724SS**  36.2121.5112.1-50.9-1.8000121.9
324V32.5Very low31.3Very low147 Ų147131 Ų13189%0.89172%0.722SS**  trans-148.7146.7133.1178.70000109.1
325L29.3Very low31Very low154 Ų154127.5 Ų127.581%0.80670%0.704SS**  trans-89.5146174.9-80.365000112.3
326R30.9Very low31.1Very low227 Ų227125.7 Ų125.786%0.85770%0.695SS**  176.1136.1114.9-97.2-167.6172.3163.9-0.3115.8
327D30.5Very low30.7Very low113 Ų113125 Ų12560%0.60470%0.696SS**  trans51.2109139.9-61.4-53.2000124.7
328R28.6Very low30.5Very low215 Ų215123.8 Ų123.881%0.81169%0.688SS**  50.6108121.6-59.1178.2-179.7-161.3-0.9119.7
329S29.1Very low30.1Very low70 Ų70123.4 Ų123.449%0.4969%0.688SS.*  174.5164.292.9-75.80000112.9H675S329-H675 VanDerWaalsContact CB-CD2 3.49Å; S329-H675 WeakPolarHBondContact CB-CD2 3.41Å; S329-H675 WeakPolarHBondContact CB-ND1 3.44Å
330P33Very low30Very low119 Ų119122.6 Ų122.677%0.77370%0.697SS**  trans-127117.5-170.836.1-17.8000115.7
331I29.5Very low30Very low157 Ų157128.4 Ų128.481%0.80571%0.707SS**  trans-139.5130.4158.1-63.9173.1000107.3
332G29.3Very low30.2Very low77 Ų77132.3 Ų132.379%0.79471%0.713SS**  trans-18069.2-171.900000116.1
333S26.7Very low30.2Very low109 Ų109136.7 Ų136.776%0.76272%0.724SS**  trans-48.4145.5176.659.10000118.4
334L29.7Very low30.3Very low110 Ų110135.9 Ų135.958%0.57672%0.719SS**  trans86.3139.4134.3-148.775.2000122.1
335D29.8Very low30.4Very low70 Ų70134.7 Ų134.737%0.37472%0.715SS.*  trans84.4166.3152.2-138.2-6.9000121.7S645D335-S645 WeakPolarHBondContact CA-OG 3.23Å; D335-S645 VanDerWaalsContact OD1-CB 3.32Å; D335-S645 WeakPolarHBondContact OD1-CB 3.47Å; D335-S645 PolarHBondContact OD1-N 3.45Å; D335-S645 PolarHBondContact OD1-OG 2.98Å; D335-S645 PolarHBondContact OD2-N 2.88Å
336L33.3Very low30.7Very low104 Ų104136.1 Ų136.155%0.54572%0.715SS.*  trans81.576.7171.9-7874.3000120.3T338 L643L336-T338 PolarHBondContact O-N 3.05Å; L336-L643 HydrophobicContact CB-CD1 4.07Å; L336-L643 HydrophobicContact CG-CB 4.25Å; L336-L643 HydrophobicContact CG-CD1 3.92Å
337A25Very low31Very low88 Ų88133 Ų13373%0.72771%0.707SS**  trans-7397.4159.500000113L643A337-L643 HydrophobicContact CB-CD2 3.99Å; A337-L643 VanDerWaalsContact O-CD1 3.25Å; A337-L643 WeakPolarHBondContact O-CD1 3.48Å; A337-L643 WeakPolarHBondContact O-CD2 3.37Å
338T32.9Very low31.4Very low72 Ų72131.4 Ų131.444%0.44271%0.71SS.*  trans-132.6136.3-178.2-29.50000114.3L336 A340 P641 L643L336-T338 PolarHBondContact O-N 3.05Å; T338-A340 PolarHBondContact O-N 3.44Å; T338-P641 HydrophobicContact CG2-CB 4.04Å; T338-P641 HydrophobicContact CG2-CG 3.62Å; T338-L643 HydrophobicContact CG2-CD1 4.43Å; T338-L643 WeakPolarHBondContact OG1-CD1 3.2Å
339H29.4Very low32Very low160 Ų160124.2 Ų124.274%0.74169%0.692SS**  trans-56129.9174.8-82.2-57000113.8
340A33.6Very low32.7Very low98 Ų98125.4 Ų125.481%0.8169%0.694SS**  trans-105.7124.913900000108.3T338T338-A340 PolarHBondContact O-N 3.44Å
341R27.8Very low33.5Very low203 Ų203126 Ų12677%0.76669%0.689SS**  trans-106.2126.1169.1-70.9-173.3-177.6-165.5-0.6108.5
342Y34.3Very low34.7Very low238 Ų238123.7 Ų123.793%0.93367%0.674SS**  trans-108.2153.6152.7-97.2-89.3000110.2
343Q29.9Very low36Very low186 Ų186125 Ų12587%0.86966%0.66SS**  trans-99.2133.7-169.3-64.5173.6-27.600110.5
344N32.1Very low37Very low136 Ų136122 Ų12273%0.72764%0.642SS**  trans-148.2124.8158.5-144.8-7.3000108.5F346N344-F346 PolarHBondContact O-N 3.08Å; N344-F346 VanDerWaalsContact O-N 3.13Å
345P34.8Very low38.4Very low123 Ų123119.1 Ų119.180%0.79963%0.631SS**  trans-81.893.9-172.331.4-33.7000111.5
346F35Very low40.2Very low183 Ų183123.8 Ų123.880%0.80364%0.643SS**  trans-62.4139.2175.1-88.7-92.1000112.5N344 A348N344-F346 PolarHBondContact O-N 3.08Å; N344-F346 VanDerWaalsContact O-N 3.13Å; F346-A348 PolarHBondContact O-N 2.76Å
347K36.5Very low41.7Very low162 Ų162126.9 Ų126.970%0.70465%0.649SS**  trans-63127-174-60.4177.9-179.7176.20111.4S349 N350K347-S349 WeakPolarHBondContact CB-OG 3.46Å; K347-S349 PolarHBondContact O-N 2.73Å; K347-N350 PolarHBondContact O-N 3.37Å
348A40.1Very low43.8Very low80 Ų80131.7 Ų131.766%0.66165%0.648SS**Hα-helixtrans-65.4-19.3178.300000113.9F346 N350 I351 H352F346-A348 PolarHBondContact O-N 2.76Å; A348-N350 PolarHBondContact O-N 2.8Å; A348-I351 PolarHBondContact O-N 3.42Å; A348-H352 PolarHBondContact O-N 3.21Å
349S40.2Very low46Very low63 Ų63135 Ų13544%0.44166%0.659SS.*Hα-helixtrans-54-51.9175.946.50000112.4K347 I351 H352 E353K347-S349 WeakPolarHBondContact CB-OG 3.46Å; K347-S349 PolarHBondContact O-N 2.73Å; S349-I351 PolarHBondContact O-N 3.5Å; S349-H352 PolarHBondContact O-N 2.96Å; S349-E353 WeakPolarHBondContact O-CB 3.37Å; S349-E353 PolarHBondContact O-N 2.67Å
350N43.2Very low47.8Very low96 Ų96129.8 Ų129.851%0.51364%0.643SS.*Hα-helixtrans-66-27.2-171.3-63.850.3000112.1K347 A348 A354K347-N350 PolarHBondContact O-N 3.37Å; A348-N350 PolarHBondContact O-N 2.8Å; N350-A354 VanDerWaalsContact O-CB 3.22Å; N350-A354 WeakPolarHBondContact O-CB 3.46Å; N350-A354 PolarHBondContact O-N 3.13Å
351I50.1Low49.6Very low130 Ų130129 Ų12967%0.66762%0.62SS**Hα-helixtrans-72.3-41.4174.9-59.4176.5000110.5A348 S349 S355A348-I351 PolarHBondContact O-N 3.42Å; S349-I351 PolarHBondContact O-N 3.5Å; I351-S355 WeakPolarHBondContact O-CB 3.19Å; I351-S355 PolarHBondContact O-N 2.95Å
352H56.2Low51.8Low110 Ų110124 Ų12451%0.50961%0.608SS.*Hα-helixtrans-70.5-38.3176.7-171.935.5000111.7A348 S349 S355 R356A348-H352 PolarHBondContact O-N 3.21Å; S349-H352 PolarHBondContact O-N 2.96Å; H352-S355 WeakPolarHBondContact CA-OG 3.17Å; H352-S355 PolarHBondContact ND1-OG 3.38Å; H352-S355 WeakPolarHBondContact O-CB 3.25Å; H352-S355 PolarHBondContact O-N 3.04Å; H352-S355 VanDerWaalsContact O-N 3.16Å; H352-S355 PolarHBondContact O-OG 3.28Å; H352-R356 PolarHBondContact O-N 3.25Å
353E54.7Low53.6Low103 Ų103116 Ų11648%0.48159%0.586SS.*Hα-helixtrans-62-49.9174-174.1161.5-14100111.9S349 S355 R356 Y357S349-E353 WeakPolarHBondContact O-CB 3.37Å; S349-E353 PolarHBondContact O-N 2.67Å; E353-S355 PolarHBondContact O-N 3.45Å; E353-R356 WeakPolarHBondContact O-CB 3.48Å; E353-R356 PolarHBondContact O-N 3.18Å; E353-Y357 HydrophobicContact CG-CD2 3.98Å; E353-Y357 HydrophobicContact CG-CE2 3.74Å; E353-Y357 WeakPolarHBondContact O-CD2 3.46Å; E353-Y357 PolarHBondContact O-N 2.9Å
354A48.9Very low55.8Low47 Ų47110.8 Ų110.839%0.38857%0.567SS.*Hα-helixtrans-58.5-32.117200000112.8N350 R358N350-A354 VanDerWaalsContact O-CB 3.22Å; N350-A354 WeakPolarHBondContact O-CB 3.46Å; N350-A354 PolarHBondContact O-N 3.13Å; A354-R358 WeakPolarHBondContact O-CB 3.15Å; A354-R358 VanDerWaalsContact O-CG 3.29Å; A354-R358 WeakPolarHBondContact O-CG 3.28Å; A354-R358 PolarHBondContact O-N 3.31Å
355S59.3Low57.8Low50 Ų50109.7 Ų109.735%0.3555%0.553SS.*Hα-helixtrans-68.7-39173.579.50000112.7I351 H352 E353 R358 Q359I351-S355 WeakPolarHBondContact O-CB 3.19Å; I351-S355 PolarHBondContact O-N 2.95Å; H352-S355 WeakPolarHBondContact CA-OG 3.17Å; H352-S355 PolarHBondContact ND1-OG 3.38Å; H352-S355 WeakPolarHBondContact O-CB 3.25Å; H352-S355 PolarHBondContact O-N 3.04Å; H352-S355 VanDerWaalsContact O-N 3.16Å; H352-S355 PolarHBondContact O-OG 3.28Å; E353-S355 PolarHBondContact O-N 3.45Å; S355-R358 PolarHBondContact O-N 3.32Å; S355-Q359 WeakPolarHBondContact O-CB 3.3Å; S355-Q359 PolarHBondContact O-N 2.63Å
356R66.3Low59.6Low168 Ų168112.9 Ų112.963%0.63455%0.549SS*.Hα-helixtrans-63.9-47.8173.4-72.5-169.1-179.7-155.81.5111.5H352 E353 R358 Q359 A360H352-R356 PolarHBondContact O-N 3.25Å; E353-R356 WeakPolarHBondContact O-CB 3.48Å; E353-R356 PolarHBondContact O-N 3.18Å; R356-R358 VanDerWaalsContact C-N 3.32Å; R356-R358 PolarHBondContact O-N 2.79Å; R356-Q359 PolarHBondContact O-N 3.05Å; R356-Q359 VanDerWaalsContact O-N 3.12Å; R356-A360 WeakPolarHBondContact O-CB 3.43Å; R356-A360 PolarHBondContact O-N 3.22Å
357Y66Low61.3Low168 Ų168106.6 Ų106.666%0.65953%0.531SS*.Hα-helixtrans-60.6-39.9178.1-80.6-70.9000112.5E353 Y361E353-Y357 HydrophobicContact CG-CD2 3.98Å; E353-Y357 HydrophobicContact CG-CE2 3.74Å; E353-Y357 WeakPolarHBondContact O-CD2 3.46Å; E353-Y357 PolarHBondContact O-N 2.9Å; Y357-Y361 WeakPolarHBondContact O-CB 3.33Å; Y357-Y361 PolarHBondContact O-N 3.43Å
358R69.4Low62.9Low189 Ų189103.2 Ų103.271%0.71352%0.521SS*.Hα-helixtrans-63-42.7172.5-75.2174.4178.1-162.6-2.3112.3A354 S355 R356 L362A354-R358 WeakPolarHBondContact O-CB 3.15Å; A354-R358 VanDerWaalsContact O-CG 3.29Å; A354-R358 WeakPolarHBondContact O-CG 3.28Å; A354-R358 PolarHBondContact O-N 3.31Å; S355-R358 PolarHBondContact O-N 3.32Å; R356-R358 VanDerWaalsContact C-N 3.32Å; R356-R358 PolarHBondContact O-N 2.79Å; R358-L362 WeakPolarHBondContact O-CB 3.34Å; R358-L362 VanDerWaalsContact O-CG 3.3Å; R358-L362 WeakPolarHBondContact O-CG 3.45Å; R358-L362 PolarHBondContact O-N 3.48Å
359Q77.5Confident64.4Low142 Ų142105.1 Ų105.166%0.66452%0.516SS*.Hα-helixtrans-66.7-42.4178.9-169.6170.91.400112.1S355 R356 L362 S363S355-Q359 WeakPolarHBondContact O-CB 3.3Å; S355-Q359 PolarHBondContact O-N 2.63Å; R356-Q359 PolarHBondContact O-N 3.05Å; R356-Q359 VanDerWaalsContact O-N 3.12Å; Q359-L362 PolarHBondContact O-N 2.97Å; Q359-S363 PolarHBondContact O-N 3.26Å; Q359-S363 PolarHBondContact O-OG 3.37Å
360A68.3Low65.3Low50 Ų50104.4 Ų104.441%0.41351%0.514SS..Hα-helixtrans-64.6-42.1175.900000112.5R356 L362 S363 V364R356-A360 WeakPolarHBondContact O-CB 3.43Å; R356-A360 PolarHBondContact O-N 3.22Å; A360-L362 VanDerWaalsContact C-N 3.31Å; A360-L362 PolarHBondContact O-N 3.28Å; A360-S363 WeakPolarHBondContact CA-OG 3.3Å; A360-S363 PolarHBondContact O-N 3.37Å; A360-S363 PolarHBondContact O-OG 3.09Å; A360-V364 WeakPolarHBondContact O-CG2 3.31Å; A360-V364 PolarHBondContact O-N 3.44Å
361Y71.3Confident66.3Low81 Ų81107.1 Ų107.132%0.31852%0.521SS..Hα-helixtrans-68.6-31.2177.1-170-120.1000112.2R92 Y357 R365R92-Y361 VanDerWaalsContact NH2-CE1 3.25Å; Y357-Y361 WeakPolarHBondContact O-CB 3.33Å; Y357-Y361 PolarHBondContact O-N 3.43Å; Y361-R365 VanDerWaalsContact CE1-NH2 3.33Å; Y361-R365 WeakPolarHBondContact O-CB 3.06Å; Y361-R365 PolarHBondContact O-N 3.45Å; Y361-R365 PolarHBondContact OH-NH2 3.2Å
362L74.3Confident66.3Low99 Ų99105.4 Ų105.452%0.51852%0.516SS..Hα-helixtrans-70.3-37.3171.2-74.8170000113R358 Q359 A360 R366R358-L362 WeakPolarHBondContact O-CB 3.34Å; R358-L362 VanDerWaalsContact O-CG 3.3Å; R358-L362 WeakPolarHBondContact O-CG 3.45Å; R358-L362 PolarHBondContact O-N 3.48Å; Q359-L362 PolarHBondContact O-N 2.97Å; A360-L362 VanDerWaalsContact C-N 3.31Å; A360-L362 PolarHBondContact O-N 3.28Å; L362-R366 WeakPolarHBondContact O-CG 3.22Å; L362-R366 PolarHBondContact O-N 2.84Å
363S71.7Confident65.9Low69 Ų69105.7 Ų105.748%0.48352%0.521SS..Hα-helixtrans-69.1-41.117555.50000112Q359 A360 R366 A367Q359-S363 PolarHBondContact O-N 3.26Å; Q359-S363 PolarHBondContact O-OG 3.37Å; A360-S363 WeakPolarHBondContact CA-OG 3.3Å; A360-S363 PolarHBondContact O-N 3.37Å; A360-S363 PolarHBondContact O-OG 3.09Å; S363-R366 PolarHBondContact O-N 2.65Å; S363-A367 WeakPolarHBondContact O-CB 3.48Å; S363-A367 PolarHBondContact O-N 3.4Å
364V75.7Confident65.6Low77 Ų77104.3 Ų104.347%0.46752%0.522SS..Hα-helixtrans-61.6-44.8173172.40000111A360 R366 A367 N368A360-V364 WeakPolarHBondContact O-CG2 3.31Å; A360-V364 PolarHBondContact O-N 3.44Å; V364-R366 PolarHBondContact O-N 3.07Å; V364-A367 PolarHBondContact O-N 2.91Å; V364-N368 PolarHBondContact O-N 3.24Å
365R73.3Confident65.3Low114 Ų114110 Ų11043%0.4354%0.539SS..Hα-helixtrans-62.7-40177.9-168.3-177.8-72.9-178.4-9.3112.2Y361 N368 Q369Y361-R365 VanDerWaalsContact CE1-NH2 3.33Å; Y361-R365 WeakPolarHBondContact O-CB 3.06Å; Y361-R365 PolarHBondContact O-N 3.45Å; Y361-R365 PolarHBondContact OH-NH2 3.2Å; R365-N368 PolarHBondContact O-N 3.12Å; R365-Q369 WeakPolarHBondContact O-CG 3.32Å; R365-Q369 PolarHBondContact O-N 3.4Å
366R73.6Confident64.4Low190 Ų190111.3 Ų111.372%0.71755%0.548SS*.Hα-helixtrans-65-41.9172.6-77.2-179.2178-176.9-0.6112.6L362 S363 V364 N368 Q369 A370L362-R366 WeakPolarHBondContact O-CG 3.22Å; L362-R366 PolarHBondContact O-N 2.84Å; S363-R366 PolarHBondContact O-N 2.65Å; V364-R366 PolarHBondContact O-N 3.07Å; R366-N368 VanDerWaalsContact C-N 3.32Å; R366-N368 PolarHBondContact O-N 3.26Å; R366-Q369 PolarHBondContact O-N 2.75Å; R366-A370 WeakPolarHBondContact O-CB 3.46Å; R366-A370 PolarHBondContact O-N 3.13Å
367A70.1Confident63Low51 Ų51108.4 Ų108.442%0.42155%0.549SS..Hα-helixtrans-64.8-36.7177.500000112.1S363 V364 A370 K371S363-A367 WeakPolarHBondContact O-CB 3.48Å; S363-A367 PolarHBondContact O-N 3.4Å; V364-A367 PolarHBondContact O-N 2.91Å; A367-A370 PolarHBondContact O-N 3.48Å; A367-K371 PolarHBondContact O-N 3.26Å
368N71.1Confident61.5Low91 Ų91104.4 Ų104.449%0.48755%0.55SS.*Hα-helixtrans-71.2-41.1174.5-72.22.3000111.9V364 R365 R366 A370 K371 V372V364-N368 PolarHBondContact O-N 3.24Å; R365-N368 PolarHBondContact O-N 3.12Å; R366-N368 VanDerWaalsContact C-N 3.32Å; R366-N368 PolarHBondContact O-N 3.26Å; N368-A370 VanDerWaalsContact C-N 3.32Å; N368-A370 PolarHBondContact O-N 2.83Å; N368-K371 PolarHBondContact O-N 2.82Å; N368-V372 WeakPolarHBondContact O-CG2 3.34Å; N368-V372 PolarHBondContact O-N 3.11Å
369Q70.5Confident59.7Low119 Ų11999.9 Ų99.956%0.55655%0.548SS*.Hα-helixtrans-60.5-41.6171.6-75.6178.1-44.100111.7R365 R366 V372 L373R365-Q369 WeakPolarHBondContact O-CG 3.32Å; R365-Q369 PolarHBondContact O-N 3.4Å; R366-Q369 PolarHBondContact O-N 2.75Å; Q369-V372 PolarHBondContact O-N 2.8Å; Q369-L373 WeakPolarHBondContact O-CG 3.32Å; Q369-L373 PolarHBondContact O-N 2.73Å
370A60.7Low57.5Low48 Ų4899 Ų9940%0.39755%0.552SS.*Hα-helixtrans-61.8-46.6172.800000111.6R366 A367 N368 V372 L373 S374R366-A370 WeakPolarHBondContact O-CB 3.46Å; R366-A370 PolarHBondContact O-N 3.13Å; A367-A370 PolarHBondContact O-N 3.48Å; N368-A370 VanDerWaalsContact C-N 3.32Å; N368-A370 PolarHBondContact O-N 2.83Å; A370-V372 VanDerWaalsContact C-N 3.33Å; A370-V372 PolarHBondContact O-N 3.49Å; A370-L373 PolarHBondContact O-N 3.2Å; A370-S374 WeakPolarHBondContact O-CB 3.47Å; A370-S374 PolarHBondContact O-N 3.02Å; A370-S374 PolarHBondContact O-OG 3.5Å; A370-S374 VanDerWaalsContact O-OG 3.06Å
371K62.5Low55.6Low153 Ų15399.2 Ų99.267%0.66556%0.56SS**Hα-helixtrans-60-37.8175.8-84-172172.1-173.80113.5A367 N368 K375A367-K371 PolarHBondContact O-N 3.26Å; N368-K371 PolarHBondContact O-N 2.82Å; K371-K375 WeakPolarHBondContact O-CG 3.49Å; K371-K375 PolarHBondContact O-N 3.42Å
372V50.3Low53.4Low94 Ų94104.1 Ų104.157%0.5759%0.586SS**Hα-helixtrans-66.5-49.8175.2171.60000110.2N368 Q369 A370 S374 K375 S376N368-V372 WeakPolarHBondContact O-CG2 3.34Å; N368-V372 PolarHBondContact O-N 3.11Å; Q369-V372 PolarHBondContact O-N 2.8Å; A370-V372 VanDerWaalsContact C-N 3.33Å; A370-V372 PolarHBondContact O-N 3.49Å; V372-S374 PolarHBondContact O-N 2.74Å; V372-K375 PolarHBondContact O-N 3.03Å; V372-K375 VanDerWaalsContact O-N 3.12Å; V372-S376 PolarHBondContact O-N 3.01Å; V372-S376 PolarHBondContact O-OG 2.98Å
373L47.4Very low51.3Low117 Ų117109.4 Ų109.461%0.61361%0.605SS**Hα-helixtrans-60.7-42.3177.5-69.5168.3000112.2Q369 A370 K375 S376 T377Q369-L373 WeakPolarHBondContact O-CG 3.32Å; Q369-L373 PolarHBondContact O-N 2.73Å; A370-L373 PolarHBondContact O-N 3.2Å; L373-K375 VanDerWaalsContact C-N 3.3Å; L373-K375 PolarHBondContact O-N 2.89Å; L373-S376 CarbonylContact O-C 3.57Å; L373-S376 PolarHBondContact O-N 3.22Å; L373-S376 VanDerWaalsContact O-N 3.16Å; L373-T377 PolarHBondContact O-N 3.45Å; L373-T377 PolarHBondContact O-OG1 2.95Å
374S48.9Very low49.1Very low73 Ų73110 Ų11051%0.5161%0.608SS.*Hα-helixtrans-65.4-29.4175.5-64.30000113.4A370 V372 T377 A378A370-S374 WeakPolarHBondContact O-CB 3.47Å; A370-S374 PolarHBondContact O-N 3.02Å; A370-S374 PolarHBondContact O-OG 3.5Å; A370-S374 VanDerWaalsContact O-OG 3.06Å; V372-S374 PolarHBondContact O-N 2.74Å; S374-T377 WeakPolarHBondContact CA-OG1 3.31Å; S374-T377 PolarHBondContact O-OG1 3.03Å; S374-A378 VanDerWaalsContact O-CB 3.3Å; S374-A378 WeakPolarHBondContact O-CB 3.49Å; S374-A378 PolarHBondContact O-N 3.42Å
375K43.7Very low47.1Very low167 Ų167113.1 Ų113.173%0.72663%0.628SS**Hα-helixtrans-71.9-42.8169.3-80.6-169.6169.8-161.20111.2K371 V372 L373 T377 A378 S379K371-K375 WeakPolarHBondContact O-CG 3.49Å; K371-K375 PolarHBondContact O-N 3.42Å; V372-K375 PolarHBondContact O-N 3.03Å; V372-K375 VanDerWaalsContact O-N 3.12Å; L373-K375 VanDerWaalsContact C-N 3.3Å; L373-K375 PolarHBondContact O-N 2.89Å; K375-T377 VanDerWaalsContact C-N 3.27Å; K375-T377 PolarHBondContact O-N 3.03Å; K375-A378 PolarHBondContact O-N 2.74Å; K375-S379 PolarHBondContact O-N 3.46Å
376S38.9Very low44.9Very low77 Ų77115.1 Ų115.154%0.53864%0.64SS.*Hα-helixtrans-64.7-26.5176-59.60000113.9V372 L373V372-S376 PolarHBondContact O-N 3.01Å; V372-S376 PolarHBondContact O-OG 2.98Å; L373-S376 CarbonylContact O-C 3.57Å; L373-S376 PolarHBondContact O-N 3.22Å; L373-S376 VanDerWaalsContact O-N 3.16Å
377T38.1Very low42.8Very low107 Ų107113.1 Ų113.166%0.65664%0.643SS**THydrogen-bonded Turntrans-89.5-2.617157.80000113.9L373 S374 K375L373-T377 PolarHBondContact O-N 3.45Å; L373-T377 PolarHBondContact O-OG1 2.95Å; S374-T377 WeakPolarHBondContact CA-OG1 3.31Å; S374-T377 PolarHBondContact O-OG1 3.03Å; K375-T377 VanDerWaalsContact C-N 3.27Å; K375-T377 PolarHBondContact O-N 3.03Å
378A34.6Very low41Very low84 Ų84115.6 Ų115.669%0.69466%0.664SS**THydrogen-bonded Turntrans-99.8-5.3175.500000113S374 K375S374-A378 VanDerWaalsContact O-CB 3.3Å; S374-A378 WeakPolarHBondContact O-CB 3.49Å; S374-A378 PolarHBondContact O-N 3.42Å; K375-A378 PolarHBondContact O-N 2.74Å
379S30.5Very low39Very low94 Ų94120.7 Ų120.766%0.65768%0.682SS**  trans-107.724.4174.471.60000113.2K375 G381K375-S379 PolarHBondContact O-N 3.46Å; S379-G381 PolarHBondContact O-N 3.39Å
380T31.1Very low37.2Very low123 Ų123123.1 Ų123.176%0.75570%0.699SS**  trans-75.667.7161.9-50.10000108.4
381G29.1Very low35.9Very low56 Ų56130 Ų13058%0.57772%0.723SS**  trans-63.1146.2177.500000111.3S379 F383S379-G381 PolarHBondContact O-N 3.39Å; G381-F383 PolarHBondContact O-N 3.29Å; G381-F383 VanDerWaalsContact O-N 3.07Å
382E26.3Very low34.3Very low184 Ų184126 Ų12686%0.8672%0.724SS**  trans-68.9103.6-175-62.1168.5130.200110.5S384E382-S384 PolarHBondContact O-N 2.89Å
383F28.3Very low33.4Very low210 Ų210129.1 Ų129.192%0.92174%0.738SS**  trans-72.371.1166.9-99.2-84.8000110.5G381 V385G381-F383 PolarHBondContact O-N 3.29Å; G381-F383 VanDerWaalsContact O-N 3.07Å; F383-V385 PolarHBondContact O-N 2.82Å
384S27.4Very low32.6Very low80 Ų80127.6 Ų127.656%0.55974%0.742SS**  trans-71102.2169.852.90000109.7E382 F386E382-S384 PolarHBondContact O-N 2.89Å; S384-F386 PolarHBondContact O-N 3.33Å; S384-F386 VanDerWaalsContact O-N 3.11Å
385V32Very low31.7Very low144 Ų144130.6 Ų130.687%0.87375%0.752SS**  trans-71.4105.1170.5179.50000108.1F383F383-V385 PolarHBondContact O-N 2.82Å
386F28.5Very low30.9Very low155 Ų155128.9 Ų128.968%0.6875%0.751SS**  trans-81.8142-173.3-109.7-91.5000113.5S384S384-F386 PolarHBondContact O-N 3.33Å; S384-F386 VanDerWaalsContact O-N 3.11Å
387N27.8Very low30.7Very low148 Ų148134.6 Ų134.679%0.79177%0.769SS**  trans47.4110.2156.2-71.4-11.7000120.5
388A33.1Very low30.1Very low104 Ų104137.5 Ų137.586%0.8678%0.775SS**  trans-122.8142139.800000109.4
389K30.1Very low30.1Very low198 Ų198140.1 Ų140.186%0.86178%0.782SS**  trans-62.1144.8-168.9-63169.4179.7172.50113.4
390N32.8Very low29.8Very low170 Ų170138.5 Ų138.591%0.90977%0.771SS**  trans-147.5134.3131.9-102.3-30.7000110.5
391Q31.9Very low29.5Very low193 Ų193141.8 Ų141.890%0.90277%0.771SS**  trans-103.7159.6173.3-72.3178.3-29.300109.6
392G28.6Very low29.4Very low68 Ų68146.3 Ų146.370%0.70178%0.777SS**  trans111.6124150.500000116.4
393N32.3Very low29.3Very low159 Ų159142.9 Ų142.985%0.8577%0.771SS**  trans46.6101.6154.5-63.51.3000119.5
394A30.1Very low29.7Very low85 Ų85139.1 Ų139.170%0.70277%0.767SS**  42.7145.697.400000120.6
395D30.2Very low29.7Very low136 Ų136146.3 Ų146.373%0.72778%0.782SS**  trans71.696.7161.3-67.7-45.3000119.9
396N27.9Very low29.7Very low132 Ų132144.8 Ų144.871%0.70678%0.778SS**  57.582.4119.5-65.7-50.2000118.1
397Q34.8Very low29.9Very low196 Ų196143.4 Ų143.492%0.91678%0.784SS**  -152.5125.8127.6-116.2141.8110.100115.7V399Q397-V399 PolarHBondContact O-N 3.19Å
398H25.4Very low29.9Very low168 Ų168143.7 Ų143.778%0.77878%0.781SS**  trans-69.2119.2173.9151.5-68000111
399V33.9Very low29.9Very low139 Ų139144.3 Ų144.384%0.84278%0.777SS**  trans-132.9118.7156.4-177.30000108.3Q397Q397-V399 PolarHBondContact O-N 3.19Å
400S24.7Very low29.8Very low61 Ų61140.2 Ų140.243%0.42777%0.768SS.*  trans-95.4-177.7177.9-175.50000110.8
401Y25.3Very low29.5Very low192 Ų192137.1 Ų137.175%0.75377%0.766SS**  trans73.5142.1170.6-40.9-72.8000115.5
402Q25.3Very low29.1Very low150 Ų150131.6 Ų131.670%0.70176%0.761SS**  cis-160147.4-11.7-124.5171.915.900108.9P404Q402-P404 WeakPolarHBondContact O-CD 3.43Å
403P25.9Very low29Very low113 Ų113137.2 Ų137.273%0.73477%0.771SS**PPolyproline II helixtrans-72.2123.3171.428.3-33.4000111.3R405P403-R405 PolarHBondContact O-N 2.88Å
404P35.3Very low28.5Very low130 Ų130137.3 Ų137.384%0.84477%0.767SS**PPolyproline II helixtrans-65130.2174.2-21.734.9000111.4Q402Q402-P404 WeakPolarHBondContact O-CD 3.43Å
405R27.9Very low28.5Very low232 Ų232141.6 Ų141.688%0.87578%0.776SS**PPolyproline II helixtrans-77.7150.3-175.3-65.8170.3174.2158.1-4.3112.1P403P403-R405 PolarHBondContact O-N 2.88Å
406S31.8Very low28.2Very low111 Ų111139.2 Ų139.278%0.77677%0.766SS**PPolyproline II helixtrans-60.2151.8171.8590000113.9
407P32.1Very low28.1Very low126 Ų126137.3 Ų137.382%0.81876%0.763SS**  trans-113.1151.314234-26.6000113.3
408Q28.8Very low27.7Very low155 Ų155133.8 Ų133.872%0.72476%0.755SS**  trans-50.9163.2-168.8-71.5-174.3-85.100119.3
409P32.5Very low27.8Very low117 Ų117133.4 Ų133.476%0.7676%0.759SS**  trans-73.4154.9173.232.8-38.1000113.6
410T27.5Very low27.5Very low111 Ų111137 Ų13768%0.68176%0.757SS**  trans-148.4142.3161.1-74.80000108.9
411A27.4Very low27.7Very low106 Ų106141.9 Ų141.988%0.87678%0.778SS**SBendtrans-72.1131-17100000112.6
412G23.6Very low27.6Very low76 Ų76136.4 Ų136.478%0.78477%0.768SS**  trans16730.5179.400000116
413M25.7Very low27.7Very low187 Ų187134.6 Ų134.692%0.92177%0.77SS**  trans-98.893173.9-109.4177.9168.300111.1
414E23.3Very low27.7Very low161 Ų161134.8 Ų134.875%0.75277%0.774SS**  trans-62.2125.2158.2-157.9-176-13800107.8T416E414-T416 WeakPolarHBondContact CB-OG1 3.42Å; E414-T416 WeakPolarHBondContact CG-OG1 3.44Å; E414-T416 PolarHBondContact O-N 2.99Å; E414-T416 PolarHBondContact OE2-OG1 3.07Å
415I28.4Very low27.5Very low174 Ų174135 Ų13589%0.89277%0.773SS**  trans-82.471.5177-55.5-178000108.2S417I415-S417 VanDerWaalsContact C-N 3.29Å; I415-S417 PolarHBondContact O-N 3.29Å
416T25.3Very low27.4Very low87 Ų87126.9 Ų126.953%0.53476%0.762SS.*  trans-84.768.9-170-52.70000112E414E414-T416 WeakPolarHBondContact CB-OG1 3.42Å; E414-T416 WeakPolarHBondContact CG-OG1 3.44Å; E414-T416 PolarHBondContact O-N 2.99Å; E414-T416 PolarHBondContact OE2-OG1 3.07Å
417S26.1Very low27.2Very low91 Ų91127.9 Ų127.964%0.63676%0.764SS**  trans63.1164.215772.30000118.7I415I415-S417 VanDerWaalsContact C-N 3.29Å; I415-S417 PolarHBondContact O-N 3.29Å
418T25.7Very low27.2Very low123 Ų123128.5 Ų128.576%0.75577%0.765SS**  trans62.8140.1-173.876.50000114.3
419N27.9Very low27.8Very low160 Ų160126.2 Ų126.286%0.85677%0.767SS**  cis-80.9125.84.9-69.9-33.2000113.9
420R26.2Very low28.4Very low214 Ų214123.9 Ų123.981%0.80875%0.748SS**  trans-88.4106.6154.5-70.3-177.2174.9-173.61.1107.6S422R420-S422 WeakPolarHBondContact CB-OG 3.03Å; R420-S422 PolarHBondContact O-N 2.65Å; R420-S422 PolarHBondContact O-OG 3.2Å; R420-S422 VanDerWaalsContact O-OG 3.08Å
421L29.8Very low29.7Very low164 Ų164126.6 Ų126.686%0.85976%0.758SS**  trans-68.987160.8-101.7163.1000108.1C423L421-C423 PolarHBondContact O-N 3.02Å; L421-C423 VanDerWaalsContact O-N 3.17Å
422S24Very low31.4Very low77 Ų77125.8 Ų125.854%0.53873%0.732SS.*  trans-88.876.7-170.7-55.10000109.2R420 S424R420-S422 WeakPolarHBondContact CB-OG 3.03Å; R420-S422 PolarHBondContact O-N 2.65Å; R420-S422 PolarHBondContact O-OG 3.2Å; R420-S422 VanDerWaalsContact O-OG 3.08Å; S422-S424 PolarHBondContact O-N 3.4Å
423C26.7Very low33.7Very low111 Ų111125 Ų12575%0.7571%0.707SS**  trans-70.668.5169.3-64.90000110.5L421 T425L421-C423 PolarHBondContact O-N 3.02Å; L421-C423 VanDerWaalsContact O-N 3.17Å; C423-T425 PolarHBondContact O-N 2.94Å
424S26.1Very low36.4Very low117 Ų117124.1 Ų124.182%0.81870%0.699SS**  trans-77.765.9167.1-67.80000109.8S422S422-S424 PolarHBondContact O-N 3.4Å
425T31.2Very low39.3Very low134 Ų134118.7 Ų118.782%0.82267%0.673SS**  trans-83.9124.8157.235.90000108C423C423-T425 PolarHBondContact O-N 2.94Å
426G25Very low42.2Very low63 Ų63114.5 Ų114.565%0.64965%0.652SS**  trans-83.7-173.2-162.300000115.7
427T28.9Very low45.4Very low132 Ų132110.7 Ų110.781%0.8163%0.629SS**SBendtrans72.8120.1172.870.30000117.1
428T32.2Very low48.1Very low138 Ų138110.8 Ų110.885%0.84763%0.627SS**  trans41.677.8156.756.10000117.7
429S39.7Very low50.8Low108 Ų108108.6 Ų108.676%0.75561%0.608SS**  trans-123.3147.8161.2830000112D431S429-D431 PolarHBondContact O-N 3.39Å
430D46Very low53Low68 Ų68106.8 Ų106.836%0.36461%0.605SS.*  trans-83.4111.6-168.1-170-27.9000111.6R432 F433D430-R432 PolarHBondContact O-N 3.29Å; D430-R432 WeakPolarHBondContact OD1-CB 3.39Å; D430-R432 VanDerWaalsContact OD1-CG 3.23Å; D430-R432 WeakPolarHBondContact OD1-CG 3.27Å; D430-R432 IonicContact OD1-CZ 2.75Å; D430-R432 PolarHBondContact OD1-N 3.42Å; D430-R432 IonicContact OD1-NE 2.64Å; D430-R432 PolarHBondContact OD1-NE 3.47Å; D430-R432 IonicContact OD1-NH2 3.26Å; D430-R432 IonicContact OD2-CZ 3.01Å; D430-R432 VanDerWaalsContact OD2-CZ 3.26Å; D430-R432 IonicContact OD2-NE 3.76Å; D430-R432 PolarHBondContact OD2-NE 2.83Å; D430-R432 VanDerWaalsContact OD2-NE 3.12Å; D430-R432 IonicContact OD2-NH2 3.98Å; D430-R432 PolarHBondContact OD2-NH2 3.02Å; D430-F433 PolarHBondContact O-N 2.71Å
431D53.8Low55.5Low167 Ų167107.6 Ų107.689%0.89361%0.608SS**THydrogen-bonded Turntrans-52.5-13.6-176.7-113.9-21.8000114.6S429 F433S429-D431 PolarHBondContact O-N 3.39Å; D431-F433 VanDerWaalsContact C-N 3.25Å; D431-F433 PolarHBondContact O-N 2.82Å
432R64.6Low58.2Low90 Ų90101 Ų10134%0.3458%0.575SS.*THydrogen-bonded Turntrans-69.4-16.2175.7-63.2-178.5-71.6175.3-3.8113.8D430 Q447 T709D430-R432 PolarHBondContact O-N 3.29Å; D430-R432 WeakPolarHBondContact OD1-CB 3.39Å; D430-R432 VanDerWaalsContact OD1-CG 3.23Å; D430-R432 WeakPolarHBondContact OD1-CG 3.27Å; D430-R432 IonicContact OD1-CZ 2.75Å; D430-R432 PolarHBondContact OD1-N 3.42Å; D430-R432 IonicContact OD1-NE 2.64Å; D430-R432 PolarHBondContact OD1-NE 3.47Å; D430-R432 IonicContact OD1-NH2 3.26Å; D430-R432 IonicContact OD2-CZ 3.01Å; D430-R432 VanDerWaalsContact OD2-CZ 3.26Å; D430-R432 IonicContact OD2-NE 3.76Å; D430-R432 PolarHBondContact OD2-NE 2.83Å; D430-R432 VanDerWaalsContact OD2-NE 3.12Å; D430-R432 IonicContact OD2-NH2 3.98Å; D430-R432 PolarHBondContact OD2-NH2 3.02Å; R432-Q447 WeakPolarHBondContact O-CA 3.34Å; R432-Q447 VanDerWaalsContact O-CB 3.28Å; R432-Q447 WeakPolarHBondContact O-CB 3.44Å; R432-Q447 VanDerWaalsContact O-CG 3.29Å; R432-Q447 WeakPolarHBondContact O-CG 3.21Å; R432-T709 VanDerWaalsContact NH1-CG2 3.27Å
433F72.2Confident61.2Low59 Ų5999.5 Ų99.526%0.25957%0.572SS.*  trans-131.677.8-172.4-66-76.5000114.1N77 D430 D431 H435 R445N77-F433 HydrophobicContact CB-CZ 4.43Å; D430-F433 PolarHBondContact O-N 2.71Å; D431-F433 VanDerWaalsContact C-N 3.25Å; D431-F433 PolarHBondContact O-N 2.82Å; F433-H435 VanDerWaalsContact C-N 3.31Å; F433-H435 PolarHBondContact O-N 3.05Å; F433-R445 HydrophobicContact CB-CB 3.84Å; F433-R445 HydrophobicContact CD1-CB 3.74Å; F433-R445 HydrophobicContact CG-CB 3.92Å
434K82Confident64Low169 Ų16999.2 Ų99.274%0.73556%0.555SS**  trans-67.3-18.6-175.3-171.4169.7-176.8178.10116.2Y446K434-Y446 PolarHBondContact N-O 3.02Å
435H84.5Confident67.1Low46 Ų4699 Ų9921%0.21354%0.537CS..EExtended strand (participates in β ladder)trans-130.9144.5-176.6-52.1-96.8000111.2F433 R445 Y446 E449 L452F433-H435 VanDerWaalsContact C-N 3.31Å; F433-H435 PolarHBondContact O-N 3.05Å; H435-R445 CarbonylContact O-C 3.32Å; H435-R445 WeakPolarHBondContact O-CA 3.47Å; H435-Y446 PolarHBondContact N-O 3.33Å; H435-Y446 PolarHBondContact O-N 3.47Å; H435-E449 PolarHBondContact CD2-N 3Å; H435-E449 PolarHBondContact NE2-N 2.85Å; H435-E449 VanDerWaalsContact NE2-N 3.14Å; H435-L452 HydrophobicContact CB-CB 4.33Å; H435-L452 HydrophobicContact CB-CD2 4.02Å
436I87.3Confident70Confident87 Ų8794.7 Ų94.745%0.44651%0.505SS..EExtended strand (participates in β ladder)trans-123.6147.6177.1-56.2-179.3000108.2P438 R445I436-P438 WeakPolarHBondContact O-CD 3.31Å; I436-R445 HydrophobicContact CG1-CG 4.15Å
437C92.7Very high72.9Confident7 Ų798.8 Ų98.85%0.04751%0.508CS..  trans-70.4123.2173.4-169.50000111.1H439 C442 R444 L452C437-H439 PolarHBondContact O-N 3.32Å; C437-C442 HydrophobicContact CB-CB 3.92Å; C437-C442 VanDerWaalsContact CB-SG 3.57Å; C437-R444 PolarHBondContact N-O 3.12Å; C437-L452 HydrophobicContact CB-CD1 4.07Å
438P84.2Confident75.6Confident93 Ų9394.8 Ų94.860%0.60449%0.488SS*.SBendtrans-66.9-19.9-179.926.9-36.7000114I436 L456I436-P438 WeakPolarHBondContact O-CD 3.31Å; P438-L456 HydrophobicContact CG-CD2 4.18Å
439H81.5Confident78.2Confident76 Ų7693.3 Ų93.335%0.35247%0.472SS..SBendtrans-67.8121177.5-173.8-82.1000111.2C437 R441 C442 H460C437-H439 PolarHBondContact O-N 3.32Å; H439-R441 PolarHBondContact O-N 3.07Å; H439-C442 HydrophobicContact CB-CB 4.05Å; H439-C442 WeakPolarHBondContact O-CB 3.09Å; H439-C442 PolarHBondContact O-N 3.31Å; H439-H460 VanDerWaalsContact CB-CE1 3.47Å; H439-H460 WeakPolarHBondContact CB-CE1 3.5Å; H439-H460 AromaticContact CD2-CE1 3.43Å; H439-H460 PolarHBondContact CD2-CE1 2.86Å; H439-H460 VanDerWaalsContact CD2-CE1 3.43Å; H439-H460 AromaticContact CD2-ND1 3.13Å; H439-H460 PolarHBondContact CD2-ND1 2.62Å; H439-H460 AromaticContact CE1-CE1 3.77Å; H439-H460 AromaticContact CG-CE1 3.16Å; H439-H460 AromaticContact CG-ND1 3.37Å; H439-H460 AromaticContact CG-NE2 3.91Å; H439-H460 AromaticContact ND1-CE1 3.41Å; H439-H460 PolarHBondContact ND1-CE1 2.81Å; H439-H460 AromaticContact ND1-ND1 3.94Å; H439-H460 AromaticContact NE2-CE1 3.77Å; H439-H460 AromaticContact NE2-ND1 3.58Å
440P74.7Confident80.3Confident122 Ų12291.7 Ų91.779%0.79245%0.454SS*.THydrogen-bonded Turntrans-60.1-44.8-164.820.2-32.5000113.1C442P440-C442 PolarHBondContact O-N 3.21Å; P440-C442 VanDerWaalsContact O-N 3.15Å
441R78Confident82.4Confident231 Ų23189.4 Ų89.487%0.87245%0.446SS*.THydrogen-bonded Turntrans-75.26.3177.9-66.2-174.6170.1-165.5-6.8115H439H439-R441 PolarHBondContact O-N 3.07Å
442C88Confident84.2Confident26 Ų2682.4 Ų82.418%0.17641%0.409CS..THydrogen-bonded Turntrans-92.7-48.2-176.6-177.70000113.6C437 H439 P440 R444 H455C437-C442 HydrophobicContact CB-CB 3.92Å; C437-C442 VanDerWaalsContact CB-SG 3.57Å; H439-C442 HydrophobicContact CB-CB 4.05Å; H439-C442 WeakPolarHBondContact O-CB 3.09Å; H439-C442 PolarHBondContact O-N 3.31Å; P440-C442 PolarHBondContact O-N 3.21Å; P440-C442 VanDerWaalsContact O-N 3.15Å; C442-R444 PolarHBondContact O-N 3.42Å; C442-H455 PolarHBondContact SG-NE2 3.08Å
443G85.4Confident85.4Confident46 Ų4678.9 Ų78.947%0.47440%0.397SS..  trans63.1-11.5-179.900000117.2
444R87.1Confident86.2Confident104 Ų10483.1 Ų83.139%0.39241%0.411SS..  trans-67.1135-173.3-64.6-179-167.4-142.72.1112C437 C442 Y446 H455C437-R444 PolarHBondContact N-O 3.12Å; C442-R444 PolarHBondContact O-N 3.42Å; R444-Y446 HydrophobicContact CB-CE2 3.82Å; R444-Y446 WeakPolarHBondContact CB-OH 3.11Å; R444-Y446 VanDerWaalsContact CD-OH 3.23Å; R444-Y446 WeakPolarHBondContact CD-OH 3.25Å; R444-H455 VanDerWaalsContact CD-CE1 3.47Å; R444-H455 WeakPolarHBondContact CD-CE1 3.17Å
445R90.9Very high86.6Confident114 Ų11475.3 Ų75.343%0.4338%0.377SS..EExtended strand (participates in β ladder)trans-112.4147179.2-45.5-168.1176.5-152-0.5111.2F433 H435 I436F433-R445 HydrophobicContact CB-CB 3.84Å; F433-R445 HydrophobicContact CD1-CB 3.74Å; F433-R445 HydrophobicContact CG-CB 3.92Å; H435-R445 CarbonylContact O-C 3.32Å; H435-R445 WeakPolarHBondContact O-CA 3.47Å; I436-R445 HydrophobicContact CG1-CG 4.15Å
446Y92.1Very high86.9Confident42 Ų4273.5 Ų73.517%0.16537%0.369CS..EExtended strand (participates in β ladder)trans-133.4130.4-172.7-63.1-77.5000111.3K434 H435 R444 A448 L452 H455K434-Y446 PolarHBondContact N-O 3.02Å; H435-Y446 PolarHBondContact N-O 3.33Å; H435-Y446 PolarHBondContact O-N 3.47Å; R444-Y446 HydrophobicContact CB-CE2 3.82Å; R444-Y446 WeakPolarHBondContact CB-OH 3.11Å; R444-Y446 VanDerWaalsContact CD-OH 3.23Å; R444-Y446 WeakPolarHBondContact CD-OH 3.25Å; Y446-A448 PolarHBondContact O-N 2.82Å; Y446-L452 HydrophobicContact CD2-CB 3.81Å; Y446-L452 HydrophobicContact CD2-CD1 4.06Å; Y446-L452 HydrophobicContact CE2-CD1 4.19Å; Y446-L452 HydrophobicContact CG-CB 4.22Å; Y446-H455 HydrophobicContact CE1-CB 4.36Å; Y446-H455 HydrophobicContact CE2-CB 3.96Å; Y446-H455 AromaticContact CZ-CG 3.76Å; Y446-H455 VanDerWaalsContact OH-CB 3.25Å; Y446-H455 WeakPolarHBondContact OH-CB 3.41Å; Y446-H455 PolarHBondContact OH-ND1 3.2Å
447Q86.1Confident86.9Confident149 Ų14972.5 Ų72.570%0.69637%0.367SS*.SBendtrans-66.4-24.1174.5-172.8172.135.700112.9R432R432-Q447 WeakPolarHBondContact O-CA 3.34Å; R432-Q447 VanDerWaalsContact O-CB 3.28Å; R432-Q447 WeakPolarHBondContact O-CB 3.44Å; R432-Q447 VanDerWaalsContact O-CG 3.29Å; R432-Q447 WeakPolarHBondContact O-CG 3.21Å
448A85.4Confident86.7Confident49 Ų4979.2 Ų79.241%0.40540%0.395SS..SBendtrans-140.7140.1-178.900000111.7Y446 I450 G451Y446-A448 PolarHBondContact O-N 2.82Å; A448-I450 VanDerWaalsContact C-N 3.28Å; A448-I450 HydrophobicContact CB-CG2 4.25Å; A448-I450 PolarHBondContact O-N 3.01Å; A448-G451 WeakPolarHBondContact O-CA 3.26Å; A448-G451 PolarHBondContact O-N 2.66Å
449E85.2Confident86.9Confident106 Ų10680.4 Ų80.450%0.49539%0.388SS..Hα-helixtrans-44.9-46.4177.6-168-176.5170.800113.5H435 G451 L452 L453H435-E449 PolarHBondContact CD2-N 3Å; H435-E449 PolarHBondContact NE2-N 2.85Å; H435-E449 VanDerWaalsContact NE2-N 3.14Å; E449-G451 PolarHBondContact O-N 3.42Å; E449-L452 CarbonylContact O-C 3.54Å; E449-L452 WeakPolarHBondContact O-CA 3.35Å; E449-L452 WeakPolarHBondContact O-CB 3.22Å; E449-L452 PolarHBondContact O-N 3.18Å; E449-L453 HydrophobicContact CG-CD1 4.2Å; E449-L453 HydrophobicContact CG-CG 4.26Å; E449-L453 WeakPolarHBondContact O-CG 3.24Å; E449-L453 PolarHBondContact O-N 3.31Å
450I85.5Confident87.2Confident74 Ų7479.4 Ų79.438%0.37938%0.384SS..Hα-helixtrans-61.6-16.4178.2-161.370.3000113.8A448 R454 L466A448-I450 VanDerWaalsContact C-N 3.28Å; A448-I450 HydrophobicContact CB-CG2 4.25Å; A448-I450 PolarHBondContact O-N 3.01Å; I450-R454 VanDerWaalsContact O-CZ 3.31Å; I450-R454 PolarHBondContact O-NE 3.18Å; I450-R454 VanDerWaalsContact O-NE 3.09Å; I450-R454 PolarHBondContact O-NH2 3.14Å; I450-L466 HydrophobicContact CD1-CD2 3.89Å
451G89.3Confident87.3Confident20 Ų2076.2 Ų76.221%0.20637%0.373CS..Hα-helixtrans-77.8-47.7168.300000111.9A448 E449 R454 H455A448-G451 WeakPolarHBondContact O-CA 3.26Å; A448-G451 PolarHBondContact O-N 2.66Å; E449-G451 PolarHBondContact O-N 3.42Å; G451-R454 PolarHBondContact O-N 3.02Å; G451-H455 PolarHBondContact O-N 3.45Å
452L92.4Very high87.2Confident21 Ų2168.8 Ų68.811%0.1135%0.348CS..Hα-helixtrans-60.3-51.1174.3173.959.9000111.2H435 C437 Y446 E449 R454 H455 L456H435-L452 HydrophobicContact CB-CB 4.33Å; H435-L452 HydrophobicContact CB-CD2 4.02Å; C437-L452 HydrophobicContact CB-CD1 4.07Å; Y446-L452 HydrophobicContact CD2-CB 3.81Å; Y446-L452 HydrophobicContact CD2-CD1 4.06Å; Y446-L452 HydrophobicContact CE2-CD1 4.19Å; Y446-L452 HydrophobicContact CG-CB 4.22Å; E449-L452 CarbonylContact O-C 3.54Å; E449-L452 WeakPolarHBondContact O-CA 3.35Å; E449-L452 WeakPolarHBondContact O-CB 3.22Å; E449-L452 PolarHBondContact O-N 3.18Å; L452-R454 VanDerWaalsContact C-N 3.32Å; L452-R454 PolarHBondContact O-N 2.83Å; L452-H455 CarbonylContact O-C 2.88Å; L452-H455 WeakPolarHBondContact O-CA 3.49Å; L452-H455 WeakPolarHBondContact O-CB 3.48Å; L452-H455 PolarHBondContact O-N 3.46Å; L452-L456 HydrophobicContact CD1-CD1 3.74Å; L452-L456 HydrophobicContact CD1-CD2 4.26Å; L452-L456 HydrophobicContact CD1-CG 3.8Å; L452-L456 HydrophobicContact CD2-CD1 4.39Å; L452-L456 HydrophobicContact CG-CD1 3.76Å; L452-L456 HydrophobicContact CG-CG 4.25Å; L452-L456 WeakPolarHBondContact O-CG 3.5Å; L452-L456 PolarHBondContact O-N 3.02Å
453L89Confident85.9Confident15 Ų1577.3 Ų77.38%0.07939%0.385CS..Hα-helixtrans-56.1-44.5179.4-64.2-179.1000112.3E449 H455 L456 V457 I464 L466 P467E449-L453 HydrophobicContact CG-CD1 4.2Å; E449-L453 HydrophobicContact CG-CG 4.26Å; E449-L453 WeakPolarHBondContact O-CG 3.24Å; E449-L453 PolarHBondContact O-N 3.31Å; L453-H455 VanDerWaalsContact C-N 3.26Å; L453-H455 PolarHBondContact O-N 3.11Å; L453-L456 PolarHBondContact O-N 2.91Å; L453-V457 WeakPolarHBondContact O-CB 3.31Å; L453-V457 VanDerWaalsContact O-CG2 3.26Å; L453-V457 WeakPolarHBondContact O-CG2 3.3Å; L453-V457 PolarHBondContact O-N 3.5Å; L453-I464 HydrophobicContact CD2-CB 4.24Å; L453-I464 HydrophobicContact CD2-CD1 3.57Å; L453-I464 HydrophobicContact CD2-CG2 3.75Å; L453-L466 HydrophobicContact CB-CD2 3.77Å; L453-L466 HydrophobicContact CD1-CD2 4.21Å; L453-P467 HydrophobicContact CD1-CG 4.26Å
454R88.9Confident84.9Confident148 Ų14877.9 Ų77.956%0.55838%0.377SS*.Hα-helixtrans-68-25175-82.3-172.1-69.8-114.80.2113.6I450 G451 L452 K458I450-R454 VanDerWaalsContact O-CZ 3.31Å; I450-R454 PolarHBondContact O-NE 3.18Å; I450-R454 VanDerWaalsContact O-NE 3.09Å; I450-R454 PolarHBondContact O-NH2 3.14Å; G451-R454 PolarHBondContact O-N 3.02Å; L452-R454 VanDerWaalsContact C-N 3.32Å; L452-R454 PolarHBondContact O-N 2.83Å; R454-K458 WeakPolarHBondContact O-CB 3.49Å; R454-K458 PolarHBondContact O-N 3.38Å
455H90.6Very high83.2Confident6 Ų680.3 Ų80.33%0.02839%0.393CS..Hα-helixtrans-75.8-48.3174.5-179.175.4000111.4C442 R444 Y446 G451 L452 L453 V457 K458 Y459 H460C442-H455 PolarHBondContact SG-NE2 3.08Å; R444-H455 VanDerWaalsContact CD-CE1 3.47Å; R444-H455 WeakPolarHBondContact CD-CE1 3.17Å; Y446-H455 HydrophobicContact CE1-CB 4.36Å; Y446-H455 HydrophobicContact CE2-CB 3.96Å; Y446-H455 AromaticContact CZ-CG 3.76Å; Y446-H455 VanDerWaalsContact OH-CB 3.25Å; Y446-H455 WeakPolarHBondContact OH-CB 3.41Å; Y446-H455 PolarHBondContact OH-ND1 3.2Å; G451-H455 PolarHBondContact O-N 3.45Å; L452-H455 CarbonylContact O-C 2.88Å; L452-H455 WeakPolarHBondContact O-CA 3.49Å; L452-H455 WeakPolarHBondContact O-CB 3.48Å; L452-H455 PolarHBondContact O-N 3.46Å; L453-H455 VanDerWaalsContact C-N 3.26Å; L453-H455 PolarHBondContact O-N 3.11Å; H455-V457 PolarHBondContact O-N 2.94Å; H455-K458 PolarHBondContact O-N 3.07Å; H455-K458 VanDerWaalsContact O-N 3.11Å; H455-Y459 AromaticContact CE1-CD2 3.23Å; H455-Y459 WeakPolarHBondContact CE1-CD2 3.36Å; H455-Y459 AromaticContact CE1-CE2 3.86Å; H455-Y459 AromaticContact CE1-CG 3.58Å; H455-Y459 AromaticContact CG-CD2 3.92Å; H455-Y459 AromaticContact ND1-CD2 3.06Å; H455-Y459 WeakPolarHBondContact ND1-CD2 3.33Å; H455-Y459 AromaticContact ND1-CE2 3.45Å; H455-Y459 WeakPolarHBondContact ND1-CE2 3.29Å; H455-Y459 AromaticContact ND1-CG 3.9Å; H455-Y459 WeakPolarHBondContact O-CD2 3.3Å; H455-Y459 PolarHBondContact O-N 2.76Å; H455-H460 AromaticContact CD2-CD2 3.82Å; H455-H460 AromaticContact CD2-NE2 3.83Å; H455-H460 AromaticContact NE2-CD2 3.66Å; H455-H460 AromaticContact NE2-NE2 3.23Å; H455-H460 PolarHBondContact NE2-NE2 3.41Å
456L90.5Very high81.6Confident7 Ų778.4 Ų78.44%0.03739%0.391CS..Iπ-helixtrans-56-50.7176.4-66.9173.9000111P438 L452 L453 K458 H460 G461 E462 I464P438-L456 HydrophobicContact CG-CD2 4.18Å; L452-L456 HydrophobicContact CD1-CD1 3.74Å; L452-L456 HydrophobicContact CD1-CD2 4.26Å; L452-L456 HydrophobicContact CD1-CG 3.8Å; L452-L456 HydrophobicContact CD2-CD1 4.39Å; L452-L456 HydrophobicContact CG-CD1 3.76Å; L452-L456 HydrophobicContact CG-CG 4.25Å; L452-L456 WeakPolarHBondContact O-CG 3.5Å; L452-L456 PolarHBondContact O-N 3.02Å; L453-L456 PolarHBondContact O-N 2.91Å; L456-K458 PolarHBondContact O-N 2.93Å; L456-H460 HydrophobicContact CD2-CB 4.48Å; L456-H460 CarbonylContact O-C 3.45Å; L456-H460 WeakPolarHBondContact O-CA 3.45Å; L456-H460 PolarHBondContact O-N 3.13Å; L456-G461 PolarHBondContact O-N 3.45Å; L456-E462 HydrophobicContact CB-CB 4.26Å; L456-E462 WeakPolarHBondContact CD1-OE2 3.2Å; L456-I464 HydrophobicContact CB-CD1 3.77Å; L456-I464 HydrophobicContact CD1-CD1 3.52Å; L456-I464 HydrophobicContact CG-CD1 4.27Å
457V87.9Confident79.4Confident66 Ų6680.5 Ų80.540%0.441%0.409SS..Iπ-helixtrans-60.1-39174.5173.20000112.9L453 H455 E462L453-V457 WeakPolarHBondContact O-CB 3.31Å; L453-V457 VanDerWaalsContact O-CG2 3.26Å; L453-V457 WeakPolarHBondContact O-CG2 3.3Å; L453-V457 PolarHBondContact O-N 3.5Å; H455-V457 PolarHBondContact O-N 2.94Å; V457-E462 WeakPolarHBondContact CG2-O 3.49Å
458K88.8Confident77.4Confident149 Ų14980.2 Ų80.265%0.64841%0.408SS*.Iπ-helixtrans-81.7-34.2-174.9-178.4174.8176.3-167.10114.2R454 H455 L456R454-K458 WeakPolarHBondContact O-CB 3.49Å; R454-K458 PolarHBondContact O-N 3.38Å; H455-K458 PolarHBondContact O-N 3.07Å; H455-K458 VanDerWaalsContact O-N 3.11Å; L456-K458 PolarHBondContact O-N 2.93Å
459Y87.6Confident75Confident118 Ų11889.4 Ų89.446%0.46343%0.432SS..Iπ-helixtrans-119.8-23.6-168.8-61.8-86.5000114.2H455H455-Y459 AromaticContact CE1-CD2 3.23Å; H455-Y459 WeakPolarHBondContact CE1-CD2 3.36Å; H455-Y459 AromaticContact CE1-CE2 3.86Å; H455-Y459 AromaticContact CE1-CG 3.58Å; H455-Y459 AromaticContact CG-CD2 3.92Å; H455-Y459 AromaticContact ND1-CD2 3.06Å; H455-Y459 WeakPolarHBondContact ND1-CD2 3.33Å; H455-Y459 AromaticContact ND1-CE2 3.45Å; H455-Y459 WeakPolarHBondContact ND1-CE2 3.29Å; H455-Y459 AromaticContact ND1-CG 3.9Å; H455-Y459 WeakPolarHBondContact O-CD2 3.3Å; H455-Y459 PolarHBondContact O-N 2.76Å
460H87Confident72.5Confident54 Ų5490 Ų9025%0.2544%0.444CS..Iπ-helixtrans-110.3-10.6178.3-59.6-64.2000112.9H439 H455 L456 E462H439-H460 VanDerWaalsContact CB-CE1 3.47Å; H439-H460 WeakPolarHBondContact CB-CE1 3.5Å; H439-H460 AromaticContact CD2-CE1 3.43Å; H439-H460 PolarHBondContact CD2-CE1 2.86Å; H439-H460 VanDerWaalsContact CD2-CE1 3.43Å; H439-H460 AromaticContact CD2-ND1 3.13Å; H439-H460 PolarHBondContact CD2-ND1 2.62Å; H439-H460 AromaticContact CE1-CE1 3.77Å; H439-H460 AromaticContact CG-CE1 3.16Å; H439-H460 AromaticContact CG-ND1 3.37Å; H439-H460 AromaticContact CG-NE2 3.91Å; H439-H460 AromaticContact ND1-CE1 3.41Å; H439-H460 PolarHBondContact ND1-CE1 2.81Å; H439-H460 AromaticContact ND1-ND1 3.94Å; H439-H460 AromaticContact NE2-CE1 3.77Å; H439-H460 AromaticContact NE2-ND1 3.58Å; H455-H460 AromaticContact CD2-CD2 3.82Å; H455-H460 AromaticContact CD2-NE2 3.83Å; H455-H460 AromaticContact NE2-CD2 3.66Å; H455-H460 AromaticContact NE2-NE2 3.23Å; H455-H460 PolarHBondContact NE2-NE2 3.41Å; L456-H460 HydrophobicContact CD2-CB 4.48Å; L456-H460 CarbonylContact O-C 3.45Å; L456-H460 WeakPolarHBondContact O-CA 3.45Å; L456-H460 PolarHBondContact O-N 3.13Å; H460-E462 HydrophobicContact CB-CG 4.28Å; H460-E462 PolarHBondContact O-N 2.77Å
461G78.7Confident69.8Low55 Ų5596.8 Ų96.857%0.56746%0.464SS*.  trans75.26.6175.300000114.5L456 Q463L456-G461 PolarHBondContact O-N 3.45Å; G461-Q463 PolarHBondContact O-N 3.31Å
462E73.9Confident66.9Low76 Ų76101.3 Ų101.336%0.35549%0.493SS..  trans-60.9123.6-179.7-66.7175.9-160.300110.9L456 V457 H460 I464L456-E462 HydrophobicContact CB-CB 4.26Å; L456-E462 WeakPolarHBondContact CD1-OE2 3.2Å; V457-E462 WeakPolarHBondContact CG2-O 3.49Å; H460-E462 HydrophobicContact CB-CG 4.28Å; H460-E462 PolarHBondContact O-N 2.77Å; E462-I464 HydrophobicContact CB-CD1 4.33Å; E462-I464 HydrophobicContact CB-CG1 3.98Å; E462-I464 PolarHBondContact O-N 3.17Å
463Q60.9Low64Low204 Ų204104.4 Ų104.495%0.95351%0.512SS*.  trans-79.870.5176.7-66.6-167.945.400110.7G461G461-Q463 PolarHBondContact O-N 3.31Å
464I65.6Low61.4Low58 Ų58108.1 Ų108.130%0.29755%0.546SS..  trans-86.2122.9173.3-41.3173.4000108.8L453 L456 E462 L466L453-I464 HydrophobicContact CD2-CB 4.24Å; L453-I464 HydrophobicContact CD2-CD1 3.57Å; L453-I464 HydrophobicContact CD2-CG2 3.75Å; L456-I464 HydrophobicContact CB-CD1 3.77Å; L456-I464 HydrophobicContact CD1-CD1 3.52Å; L456-I464 HydrophobicContact CG-CD1 4.27Å; E462-I464 HydrophobicContact CB-CD1 4.33Å; E462-I464 HydrophobicContact CB-CG1 3.98Å; E462-I464 PolarHBondContact O-N 3.17Å; I464-L466 PolarHBondContact O-N 3.12Å
465E51.7Low58.5Low155 Ų155107.9 Ų107.972%0.72456%0.555SS**  trans-6799173.9-168173.3-160.100109.4P467E465-P467 WeakPolarHBondContact O-CD 3.45Å
466L56.7Low56Low74 Ų74116.8 Ų116.839%0.38760%0.597SS.*  trans-53.5124178.8-79.8165.8000109.6I450 L453 I464 Q468I450-L466 HydrophobicContact CD1-CD2 3.89Å; L453-L466 HydrophobicContact CB-CD2 3.77Å; L453-L466 HydrophobicContact CD1-CD2 4.21Å; I464-L466 PolarHBondContact O-N 3.12Å; L466-Q468 PolarHBondContact O-N 2.95Å
467P46.1Very low53.2Low86 Ų86124.6 Ų124.656%0.55863%0.633SS**  trans-50.8101.8-175.9-32.336.3000112.5L453 E465 R469L453-P467 HydrophobicContact CD1-CG 4.26Å; E465-P467 WeakPolarHBondContact O-CD 3.45Å; P467-R469 PolarHBondContact O-N 2.88Å; P467-R469 VanDerWaalsContact O-N 3.08Å
468Q43.9Very low50.5Low144 Ų144128.7 Ų128.767%0.67365%0.652SS**  trans-65115.7179.3-64.5-165.139.200107.3L466 T470L466-Q468 PolarHBondContact O-N 2.95Å; Q468-T470 PolarHBondContact O-N 3.04Å
469R35.9Very low47.6Very low241 Ų241127.1 Ų127.191%0.90965%0.65SS**  trans-71.177.2169.7-91.5-176161.6149.9-2.9109.3P467 R471P467-R469 PolarHBondContact O-N 2.88Å; P467-R469 VanDerWaalsContact O-N 3.08Å; R469-R471 VanDerWaalsContact C-N 3.31Å; R469-R471 PolarHBondContact O-N 2.95Å
470T31.9Very low44.8Very low120 Ų120133.8 Ų133.874%0.73668%0.675SS**  trans-51.798.8158.634.50000107.4Q468 S472Q468-T470 PolarHBondContact O-N 3.04Å; T470-S472 VanDerWaalsContact C-N 3.27Å; T470-S472 PolarHBondContact O-N 3.45Å
471R28.4Very low42.1Very low215 Ų215141.1 Ų141.181%0.81170%0.7SS**  trans-79.580-170-163.3-175.3-166.4-115.63.5108.6R469 V473R469-R471 VanDerWaalsContact C-N 3.31Å; R469-R471 PolarHBondContact O-N 2.95Å; R471-V473 HydrophobicContact CG-CG2 3.85Å; R471-V473 PolarHBondContact O-N 2.96Å
472S29Very low39.8Very low115 Ų115144.3 Ų144.380%0.80471%0.711SS**  trans-63.382.4168.544.50000109.4T470 A474T470-S472 VanDerWaalsContact C-N 3.27Å; T470-S472 PolarHBondContact O-N 3.45Å; S472-A474 VanDerWaalsContact C-N 3.3Å; S472-A474 PolarHBondContact O-N 3.46Å
473V31.4Very low37.6Very low86 Ų86145.9 Ų145.952%0.52174%0.737SS.*  trans-71.690175.4-178.80000107.8R471 N475R471-V473 HydrophobicContact CG-CG2 3.85Å; R471-V473 PolarHBondContact O-N 2.96Å; V473-N475 PolarHBondContact O-N 2.61Å
474A33.9Very low36.1Very low94 Ų94141.3 Ų141.378%0.77773%0.727SS**  trans-55.3129.4160.900000108.5S472 Q476S472-A474 VanDerWaalsContact C-N 3.3Å; S472-A474 PolarHBondContact O-N 3.46Å; A474-Q476 PolarHBondContact O-N 3.22Å
475N28.8Very low34.5Very low143 Ų143147.9 Ų147.977%0.76576%0.757SS**SBendtrans-68.8115.5-170.6-77.2-56.7000111.9V473V473-N475 PolarHBondContact O-N 2.61Å
476Q37.3Very low33.3Very low193 Ų193148.9 Ų148.990%0.90276%0.761SS**  trans-154.3125.8144-114.515792.400110A474A474-Q476 PolarHBondContact O-N 3.22Å
477Q32.9Very low32.3Very low171 Ų171156.5 Ų156.580%0.79979%0.785SS**  trans-90.2141-178.1-60.1172.1-8.300109.5
478L29.9Very low31.4Very low151 Ų151158.2 Ų158.279%0.79179%0.794SS**  178.8126.7108-92.8163.9000113.5
479L28.4Very low30.7Very low117 Ų117158.4 Ų158.461%0.61380%0.798SS**  trans11.8121.6157.8-89.555.9000120.8
480R27.6Very low30.4Very low258 Ų258152.3 Ų152.397%0.97479%0.788SS**  -122.3129.8127.1-101.4-179171.2150.90.9109.8
481R32.1Very low30.2Very low208 Ų208151.1 Ų151.179%0.78579%0.785SS**  trans-78.9155.2-171.1-78.9-178.3168.7109.9-4.2112.7
482P29.1Very low30.4Very low121 Ų121148.3 Ų148.379%0.78678%0.784SS**  trans-71.5136.2179.329.7-35.4000112.2S484P482-S484 PolarHBondContact O-N 2.99Å
483A27.5Very low30.4Very low110 Ų110145.7 Ų145.791%0.90978%0.775SS**  trans-93.291-179.100000111.9
484S29.6Very low30.6Very low108 Ų108150.1 Ų150.176%0.75579%0.788SS**  trans-155.556.117368.20000115.5P482P482-S484 PolarHBondContact O-N 2.99Å
485E33.1Very low30.5Very low195 Ų195152 Ų15291%0.91179%0.785SS**  trans-148.9145.4153.6-141.7165.7176.100113.1
486E26.5Very low30.8Very low176 Ų176151.9 Ų151.982%0.82278%0.784SS**  trans-95.8118.9171.3-63.2176123.700108.6
487R34.9Very low30.6Very low234 Ų234148.1 Ų148.188%0.88378%0.775SS**  trans172112.1139.8-92.6148.9-155.6-160.67114.7
488T27.6Very low30.7Very low123 Ų123147.1 Ų147.176%0.75578%0.775SS**  58144.5126.5-3.10000123.7
489I29.2Very low31.1Very low147 Ų147147.8 Ų147.875%0.75477%0.774SS**  trans75.9114.71584-177.8000121.9
490T29.6Very low31.4Very low113 Ų113149.5 Ų149.569%0.69378%0.78SS**  trans48.8105.214147.60000124.1
491S27.6Very low32Very low96 Ų96143.6 Ų143.667%0.67177%0.768SS**  47.6156.6109.165.10000124
492I33.3Very low32.1Very low155 Ų155141.7 Ų141.780%0.79577%0.766SS**  trans86.1138.3178.7-50.4159.6000111.8F494I492-F494 HydrophobicContact CG2-CD2 4.14Å; I492-F494 HydrophobicContact CG2-CE2 3.93Å
493G28.9Very low32.4Very low60 Ų60143.5 Ų143.562%0.61977%0.767SS**  cis152.4158.5-7.100000112.5
494F34Very low32.5Very low179 Ų179143.5 Ų143.579%0.78576%0.759SS**  trans78.592.4169.4-48.3-68.1000119.9I492I492-F494 HydrophobicContact CG2-CD2 4.14Å; I492-F494 HydrophobicContact CG2-CE2 3.93Å
495D32.9Very low32.6Very low135 Ų135143.3 Ų143.372%0.72276%0.758SS**  50.1156.7101.6-49.4-25.8000124.4
496N34.4Very low32.6Very low140 Ų140144 Ų14475%0.74976%0.758SS**  trans86.9110.4159.2-63.7-15.4000118.5
497T33.6Very low32.9Very low114 Ų114145 Ų14570%0.69976%0.763SS**  83142.789.9660000113.6
498D35.6Very low32.5Very low149 Ų149139.1 Ų139.180%0.79776%0.757SS**  cis-162.2-170.9-4-123.9-46000111.5
499E38.7Very low32.8Very low166 Ų166141 Ų14178%0.77676%0.762SS**  trans87114.2145.3-143.8166.3-153.300121.9
500M34.7Very low32.7Very low152 Ų152139.1 Ų139.175%0.74976%0.762SS**  trans40.4160.4141-49.1-54.5174.600122.8
501D38.5Very low33Very low135 Ų135142.7 Ų142.772%0.72277%0.768SS**  cis-146.5-176.36.3-145.4-24000113.6
502K35Very low33Very low168 Ų168146.1 Ų146.173%0.7378%0.779SS**  trans-99.1164.1177.4-52.3175.1-165.868.60111.8
503I36.2Very low32.8Very low159 Ų159147.4 Ų147.482%0.81578%0.778SS**  179.6150.2125.5-95157.1000111.1
504C28.9Very low32.7Very low110 Ų110149.4 Ų149.474%0.74378%0.778SS**  trans10.1164.6159-68.70000123.6
505S32.2Very low32.6Very low104 Ų104147.7 Ų147.773%0.72778%0.776SS**  cis-170.4167-24.5-96.60000109.1
506K31.6Very low32.2Very low208 Ų208144 Ų14490%0.90476%0.761SS**  trans-48.8133.5178.1-54.5170.8-176.9176.50113.5
507Q34.4Very low31.8Very low199 Ų199145 Ų14593%0.9377%0.765SS**  trans-143.6130.3142.6-114.6-179.813.600110.5
508S25.9Very low31.4Very low110 Ų110143.8 Ų143.877%0.76976%0.762SS**  trans-96.8134.617551.80000109.9
509L34Very low31.4Very low163 Ų163146.4 Ų146.485%0.85377%0.769SS**  trans-146.3110.8155.1-143.277.1000111.5
510S27.3Very low30.9Very low107 Ų107143.5 Ų143.575%0.74877%0.767SS**  trans-75.3137.5171.152.40000111.2
511K35.7Very low30.7Very low187 Ų187145.8 Ų145.881%0.81377%0.773SS**  trans-166.1102.9151.4-105.9144.9-172.51760110.9
512N26.5Very low30.3Very low169 Ų169144.6 Ų144.690%0.90478%0.775SS**  trans-67.2134.4162.1-69.7-15.9000108.6
513K31Very low29.9Very low182 Ų182144.2 Ų144.279%0.79178%0.78SS**  trans-147.496.8161-163.7170.4-173.9179.10111.1I515K513-I515 PolarHBondContact O-N 3.47Å
514T26.1Very low29.5Very low101 Ų101144 Ų14462%0.6278%0.78SS**  trans-57132.2167.3-46.90000109.6
515I31.4Very low29.3Very low144 Ų144145.4 Ų145.474%0.73878%0.775SS**  trans-130.6124.4165.9-62.8-177000107.3K513K513-I515 PolarHBondContact O-N 3.47Å
516S25.6Very low29.1Very low58 Ų58146.6 Ų146.641%0.40678%0.783SS.*  trans-84.4-176.6-178.6-57.60000111.9
517L25.4Very low28.9Very low159 Ų159142.7 Ų142.783%0.83277%0.773SS**  trans90.6111.1156.6-65.7148.4000118.9
518S25.5Very low28.6Very low90 Ų90141.7 Ų141.763%0.62977%0.768SS**  trans57.2116.7131.865.60000121
519H34.5Very low28.7Very low204 Ų204142 Ų14294%0.94477%0.765SS**  trans-129130.3130.6-82.2-65.2000110.3
520S27.9Very low28.3Very low105 Ų105142 Ų14273%0.73476%0.76SS**  trans-113.5162.5-178.152.50000111.1
521K30.9Very low28.3Very low200 Ų200143.5 Ų143.587%0.8776%0.757SS**  trans-176.9157.3146.5-102.4153.5-173.1-177.30111.8
522S29.9Very low28Very low110 Ų110140.4 Ų140.477%0.76975%0.754SS**  trans4797.9176.752.60000114.9
523L26.7Very low28.1Very low159 Ų159141.3 Ų141.383%0.83275%0.75SS**  cis62.290.626.2-163.2155.8000113.5
524L27.9Very low28.1Very low155 Ų155139.7 Ų139.781%0.81275%0.748SS**  trans-167.8155.8135-105.2162.8000109
525E26Very low28.2Very low140 Ų140142 Ų14265%0.65476%0.757SS**  trans-76.5167.9-172.3-69.1124.510100115.1
526S26.7Very low28Very low128 Ų128144.8 Ų144.890%0.89576%0.764SS**  trans-134.257.2156-67.30000110H528S526-H528 PolarHBondContact O-N 3.16Å
527N27.7Very low28.2Very low127 Ų127148.6 Ų148.668%0.67978%0.78SS**  trans-76.5102.9163.5-85.2-38.3000109.3
528H28.2Very low28.3Very low178 Ų178147 Ų14782%0.82478%0.779SS**SBendtrans66.7159.9153.5-92.5-97.2000120.4S526S526-H528 PolarHBondContact O-N 3.16Å
529V27.3Very low28.4Very low117 Ų117146.5 Ų146.571%0.70978%0.775SS**  trans6592.4166.3-177.20000117.6
530E26.5Very low28.3Very low161 Ų161143.6 Ų143.675%0.75277%0.772SS**  62.3152.7115.9-127.3-172.1157.100123.6
531M26.8Very low28.6Very low140 Ų140145.6 Ų145.669%0.6977%0.774SS**  trans74121.3158.6-76.3-174.8-85.100122
532T30.6Very low28.5Very low121 Ų121141.7 Ų141.774%0.74277%0.769SS**  trans65.191.6142.154.60000121.5
533K28Very low28.7Very low188 Ų188145.2 Ų145.282%0.81777%0.771SS**  40.4112.496.9-169.1-164.2-172.8179.30116.8
534I29.6Very low29Very low148 Ų148146.2 Ų146.276%0.75977%0.771SS**  177.8138.9126.1-93.5158.3000113.7
535N29.2Very low28.9Very low150 Ų150143.9 Ų143.980%0.80276%0.763SS**  trans43.4124.8159.6-66.6-5.1000123.8
536F27.3Very low29.2Very low203 Ų203145 Ų14589%0.8977%0.772SS**  trans-62.5150.9144.1-69.7-104000111.4
537N29.1Very low29.3Very low138 Ų138145.9 Ų145.974%0.73876%0.762SS**  trans-146.6107.9153.1-165.316.9000112S539N537-S539 PolarHBondContact O-N 3.01Å
538P28.7Very low29.4Very low126 Ų126146.4 Ų146.482%0.81876%0.763SS**  trans-94.666.7-172.637.2-35000112.9
539S26.2Very low29.7Very low78 Ų78143.6 Ų143.655%0.54575%0.754SS.*  trans-156.676.7-176.866.60000116.9N537N537-S539 PolarHBondContact O-N 3.01Å
540T33.1Very low29.7Very low143 Ų143144.2 Ų144.288%0.87775%0.75SS**  trans-158.9125.8154130000111.8
541L33.5Very low30Very low148 Ų148145.7 Ų145.778%0.77575%0.75SS**  trans-86162154.7-68.7165.9000108.1
542P30.6Very low30Very low117 Ų117144.9 Ų144.976%0.7675%0.753SS**  -141.6171.599.337.7-24.3000115.1
543F33.6Very low30.2Very low185 Ų185143.9 Ų143.981%0.81175%0.751SS**  trans-96.6139.3162.7-80.5-112.3000109.4
544E32.9Very low30.3Very low179 Ų179139.5 Ų139.584%0.83674%0.744SS**  trans-155.9126.7152.7-106.2157.5177.600106.1
545T26.1Very low30.3Very low107 Ų107139.3 Ų139.366%0.65674%0.744SS**  cis79.6105.542.3-55.60000112.8
546I32.5Very low30.5Very low162 Ų162139.9 Ų139.983%0.83174%0.742SS**  trans169.5142.8152-91.8149.8000105.6
547Q28.4Very low30.7Very low147 Ų147136.4 Ų136.469%0.68773%0.732SS**  cis162160.3-27.4-113.9-169.9-4.700105.5
548I30.4Very low30.6Very low138 Ų138134.7 Ų134.771%0.70873%0.731SS**  trans71127.6154.9-72.4160.6000115
549N33.6Very low30.7Very low119 Ų119133.6 Ų133.664%0.63673%0.725SS**  cis-158.5178.89.9-111.517.5000109.5
550E28Very low30.9Very low131 Ų131135 Ų13561%0.61273%0.726SS**  cis-179.3-179-28.2-178.4158.4-130.300107.9
551Y31.8Very low31Very low191 Ų191136 Ų13675%0.74972%0.718SS**  trans74.6126.6179.7-57-86.2000115.7
552T28Very low30.9Very low124 Ų124135.1 Ų135.176%0.76171%0.713SS**  cis71137.525.781.60000115
553S33.9Very low31.1Very low99 Ų99137.7 Ų137.769%0.69271%0.713SS**  cis-96.8176.86.960.50000112.7
554S29.3Very low30.9Very low97 Ų97136.1 Ų136.168%0.67871%0.708SS**  cis71.5148.831-570000116
555D31.5Very low30.9Very low143 Ų143133.5 Ų133.577%0.76570%0.704SS**  trans77.3143.2173-48.3-34.9000115.8
556E32.8Very low30.9Very low162 Ų162134.2 Ų134.276%0.75771%0.708SS**  cis-159.9173.61.8-130.1-175.3172.700113.6
557L30.2Very low31Very low131 Ų131132.1 Ų132.169%0.68671%0.705SS**  trans38.1116.6154-96.564000121.5
558S28.9Very low31Very low101 Ų101132.3 Ų132.371%0.70671%0.709SS**  84158.293.288.10000115.7
559C29.7Very low30.8Very low103 Ų103132.3 Ų132.370%0.69671%0.71SS**  cis-157.7159.310.2-141.30000112.1
560D31.3Very low30.5Very low107 Ų107132.4 Ų132.457%0.57271%0.71SS**  trans41.9118.1144.2-78.116000121.7
561K34.9Very low30.5Very low164 Ų164132.4 Ų132.471%0.71372%0.715SS**  -176.813061-101.1142.2178.698.50109.8
562I31.8Very low30.3Very low130 Ų130130.6 Ų130.667%0.66771%0.713SS**  76.692.179.1-66.6166.2000114.5
563K34.5Very low30.3Very low172 Ų172131.6 Ų131.675%0.74871%0.713SS**  -178.5121.8118.7-95.1173.9174.8-176.10110.3
564E29Very low29.9Very low151 Ų151130.3 Ų130.371%0.70670%0.704SS**  66.9134.976.5-65.9-170.7104.600113.3
565V32.6Very low29.9Very low124 Ų124135.4 Ų135.475%0.75271%0.71SS**  cis-150.7166.2-1.8108.10000111.2
566T26.6Very low29.7Very low122 Ų122133.3 Ų133.375%0.74871%0.706SS**  trans-89.6-178.8-175.95.90000112.8
567P34.4Very low29.4Very low118 Ų118130.7 Ų130.777%0.76671%0.705SS**  trans-88.7152.1-148.636.7-38.7000115.8
568I27.6Very low29.2Very low152 Ų152129.1 Ų129.178%0.77971%0.705SS**  trans-137.7118.4172.7-66.2-174.8000111.3
569L26.8Very low29.2Very low137 Ų137130.1 Ų130.172%0.71771%0.707SS**  trans37142.5140.5-81.466.2000124
570D27.1Very low29.2Very low121 Ų121130 Ų13065%0.64771%0.707SS**  trans71.3134.5131-64.79.8000123.9
571N28.8Very low29.1Very low132 Ų132129.1 Ų129.171%0.70671%0.71SS**  trans63.7156.9136.6-62.7-3.4000119.1
572E26.5Very low28.8Very low153 Ų153127.4 Ų127.472%0.71571%0.708SS**  cis-163.6174-21.3-117.1-165.6136.900107.5
573L28Very low28.8Very low144 Ų144128.5 Ų128.575%0.75471%0.711SS**  trans63.5166.1158.9-92.365.8000116.3
574S26.7Very low28.6Very low73 Ų73126.7 Ų126.751%0.5171%0.713SS.*  cis-167.7-161.8-38.450.70000110.1
575Y29.3Very low28.8Very low203 Ų203122.7 Ų122.780%0.79671%0.713SS**  trans73.1107.7176.3-60.6-75.6000115.3
576S26.6Very low28.7Very low99 Ų99123.2 Ų123.269%0.69272%0.717SS**  81.9142.664.578.90000112.8
577C25.6Very low28.7Very low107 Ų107123.5 Ų123.572%0.72372%0.718SS**  cis-129.2162.37.6-102.30000109.6
578S26.5Very low28.4Very low99 Ų99124.3 Ų124.369%0.69272%0.721SS**  58.5134.266.1-32.80000111.8
579T28.9Very low28.4Very low121 Ų121121.5 Ų121.574%0.74272%0.715SS**  cis-155.8168.831.144.40000112.3
580S29.4Very low28.5Very low101 Ų101120.1 Ų120.171%0.70671%0.712SS**  trans51.1154.8137.962.60000123
581S29Very low28.6Very low89 Ų89118.3 Ų118.362%0.62271%0.706SS**  cis176.5155.4-21.156.30000108.5
582N29.8Very low28.5Very low127 Ų127115.8 Ų115.868%0.67969%0.693SS**  trans65.7162.8151.8-66.323.3000117.3
583E31Very low28.7Very low154 Ų154116.1 Ų116.172%0.7270%0.698SS**  cis-160.8164.3-20-111.5164.9160.300111.3
584V30.8Very low28.7Very low133 Ų133112.2 Ų112.281%0.80668%0.677SS**  trans50.9127.3144.7175.70000122
585G32.6Very low28.7Very low67 Ų67114.4 Ų114.469%0.69168%0.683SS**  trans91.8154138.600000118.3
586T31.4Very low28.6Very low136 Ų136110.9 Ų110.983%0.83468%0.678SS**  cis-152.9149.3-12-65.20000108.9
587T25.5Very low28.5Very low128 Ų128111.1 Ų111.179%0.78568%0.675SS**  trans-93148.1-178.145.90000114.2
588V29.2Very low28.7Very low135 Ų135112.9 Ų112.982%0.81868%0.677SS**  trans-140.1144160.3-176.70000109.1V590V588-V590 HydrophobicContact CG1-CG2 4.4Å
589S25.8Very low28.8Very low93 Ų93114.7 Ų114.765%0.6568%0.678SS**  trans-152.9140179.4-56.40000110.7
590V29.9Very low28.7Very low108 Ų108114.7 Ų114.766%0.65568%0.682SS**  trans-161.8156.1-178.4-128.30000109.8V588 T1514V588-V590 HydrophobicContact CG1-CG2 4.4Å; V590-T1514 CarbonylContact C-O 3.31Å; V590-T1514 VanDerWaalsContact C-O 3.23Å; V590-T1514 PolarHBondContact N-O 2.98Å
591P29.8Very low28.7Very low82 Ų82114.2 Ų114.253%0.53268%0.678SS.*  -124.8-174.9-69.340.4-27.8000112.8T1515P591-T1515 PolarHBondContact O-OG1 3.06Å
592L25.9Very low28.7Very low80 Ų80116.9 Ų116.942%0.41969%0.685SS.*  trans-103.4148.7166.3-153.976.8000110.7D594 T1513 T1514L592-D594 HydrophobicContact CD2-CB 4.21Å; L592-D594 HydrophobicContact CG-CB 4.4Å; L592-T1513 HydrophobicContact CB-CG2 3.5Å; L592-T1513 VanDerWaalsContact CB-CG2 3.5Å; L592-T1513 WeakPolarHBondContact CB-OG1 3.33Å; L592-T1513 HydrophobicContact CD2-CG2 4.03Å; L592-T1513 HydrophobicContact CG-CG2 4.42Å; L592-T1513 PolarHBondContact N-OG1 2.65Å; L592-T1513 PolarHBondContact O-OG1 3.19Å; L592-T1513 VanDerWaalsContact O-OG1 3.04Å; L592-T1514 HydrophobicContact CB-CG2 4.19Å; L592-T1514 WeakPolarHBondContact CB-OG1 3.45Å; L592-T1514 PolarHBondContact N-OG1 2.86Å
593I31.9Very low28.7Very low160 Ų160115.5 Ų115.582%0.82168%0.678SS**  trans-134.2104.9158-56.4171.3000102.7
594D26.4Very low28.5Very low62 Ų62116.1 Ų116.133%0.33268%0.679SS.*  cis74.4122.723.9-149.516.5000113.6L592 S1512L592-D594 HydrophobicContact CD2-CB 4.21Å; L592-D594 HydrophobicContact CG-CB 4.4Å; D594-S1512 PolarHBondContact OD2-OG 2.65Å
595L27.3Very low28.5Very low119 Ų119114.3 Ų114.362%0.62367%0.669SS**  trans66.6150175.7-52.9158.7000115.2
596N26.5Very low28.2Very low129 Ų129117.3 Ų117.369%0.6967%0.668SS**  cis-163.2-178.6-24.8-119.75.4000109.8
597T26.2Very low28Very low104 Ų104116 Ų11664%0.63866%0.664SS**  trans35.4123.2149.4540000121.4
598D29.7Very low28.1Very low144 Ų144115.4 Ų115.477%0.7766%0.661SS**  -163.7124.8106-86.5-18.5000108
599I27.5Very low28.1Very low136 Ų136115.8 Ų115.870%0.69766%0.658SS**  72.495.968-62.2174.6000112.6
600C28Very low28.3Very low122 Ų122118.5 Ų118.582%0.82466%0.662SS**  trans168.3142.1136-86.70000110
601S28.1Very low28.5Very low90 Ų90117.2 Ų117.263%0.62965%0.652SS**  cis-164.6168-19.9-89.80000109.8
602N28.5Very low28.6Very low145 Ų145116.9 Ų116.978%0.77565%0.651SS**  trans79.9117166-53-7.8000117
603N30.4Very low28.7Very low98 Ų98116.6 Ų116.652%0.52465%0.653SS.*  cis-133.7152.7-4.4-81.9-19000111.5
604F28.1Very low28.6Very low168 Ų168116 Ų11674%0.73765%0.651SS**  trans-94.4158.6164.7-78.3-99.9000108.7I606F604-I606 HydrophobicContact CB-CD1 4.35Å; F604-I606 HydrophobicContact CB-CG1 4.15Å; F604-I606 HydrophobicContact CD1-CG1 4.27Å
605P29.6Very low28.9Very low94 Ų94117.4 Ų117.461%0.6167%0.666SS**  -96.7148.665.9-18.235.9000114
606I25.7Very low28.9Very low131 Ų131119 Ų11967%0.67268%0.676SS**  cis69.4127.949.4-57.9158.4000109.4F604F604-I606 HydrophobicContact CB-CD1 4.35Å; F604-I606 HydrophobicContact CB-CG1 4.15Å; F604-I606 HydrophobicContact CD1-CG1 4.27Å
607S27.5Very low29Very low107 Ų107119.6 Ų119.675%0.74868%0.679SS**  cis-154.2175.621.614.50000110.1
608V27.7Very low29.1Very low117 Ų117120.9 Ų120.971%0.70969%0.686SS**  cis179.1170.8-32.5134.30000105.9
609D29.8Very low29Very low143 Ų143118.7 Ų118.777%0.76568%0.678SS**  trans73148.8167.5-74.7-14000120.6
610M30.5Very low28.8Very low150 Ų150118.3 Ų118.374%0.73968%0.676SS**  cis-170.6173.4-38.2-119.7-55.6-176.400108.9
611D33.1Very low28.9Very low81 Ų81120.2 Ų120.243%0.43367%0.672SS.*  trans64.3150.6160.6-68.1-46.7000118.3K1506 Q1507D611-K1506 VanDerWaalsContact OD1-C 3.31Å; D611-K1506 PolarHBondContact OD2-N 3.08Å; D611-Q1507 PolarHBondContact OD1-N 3.39Å
612S31.6Very low28.8Very low75 Ų75120.1 Ų120.152%0.52467%0.672SS.*  cis-158.7167.3-22.959.80000111.6K1506 Q1507S612-K1506 VanDerWaalsContact CB-C 3.41Å; S612-K1506 VanDerWaalsContact CB-O 3.26Å; S612-K1506 WeakPolarHBondContact CB-O 3.19Å; S612-K1506 PolarHBondContact OG-O 2.79Å; S612-Q1507 WeakPolarHBondContact CB-O 3.35Å
613T29Very low28.7Very low74 Ų74120.9 Ų120.945%0.45468%0.675SS.*  trans-103.7136.5178.742.90000112.5L1508 F1509T613-L1508 PolarHBondContact O-N 2.91Å; T613-L1508 PolarHBondContact OG1-O 3.49Å; T613-F1509 WeakPolarHBondContact CB-O 3.07Å; T613-F1509 PolarHBondContact OG1-N 3.17Å; T613-F1509 VanDerWaalsContact OG1-N 3.16Å; T613-F1509 PolarHBondContact OG1-O 3.27Å
614N30.3Very low28.7Very low147 Ų147122.2 Ų122.279%0.78669%0.687SS**  trans-160.1167.1150.1-139.4-33000113.8
615S32.2Very low28.9Very low92 Ų92121 Ų12164%0.64369%0.688SS**  trans32103.1156.958.60000116.7
616N27.5Very low28.7Very low153 Ų153124 Ų12482%0.81869%0.694SS**  cis58.3146.936.6-137.523.5000113.4
617D28.1Very low28.9Very low141 Ų141122.8 Ų122.875%0.75469%0.693SS**  trans68.8150.1178.8-85.9-45.9000119.8
618V28.2Very low29.1Very low130 Ų130126.6 Ų126.679%0.78870%0.696SS**  trans65129.7157166.50000118.9
619T28.2Very low29Very low98 Ų98128.9 Ų128.960%0.60170%0.703SS**  cis-153.3172.9-18.3-85.50000107.5
620I23.7Very low29Very low129 Ų129127.4 Ų127.466%0.66270%0.702SS**  trans-35143.9152.2-49.1160.2000110.9
621H29.5Very low29.2Very low161 Ų161125.9 Ų125.975%0.74570%0.7SS**  trans155.7110137.8-74.9-45.2000108.3
622S25.4Very low28.9Very low88 Ų88129.3 Ų129.362%0.61572%0.718SS**  87.2131.752.9-67.20000112.7
623L27.8Very low28.9Very low162 Ų162131.7 Ų131.785%0.84873%0.729SS**  trans82.1155.7160.6-59.9151.2000117.8
624T28.7Very low29.1Very low125 Ų125136.6 Ų136.677%0.76774%0.744SS**  trans60.4122.9178.161.10000116.6
625D32.1Very low29.3Very low142 Ų142138.3 Ų138.376%0.75975%0.747SS**  cis-134.7142.3-11.8-78.6-39.5000107.9
626E27Very low29.3Very low157 Ų157139.8 Ų139.873%0.73476%0.755SS**  70125.361.7-88-58.4163.400116.8
627T28.5Very low29.5Very low107 Ų107140.4 Ų140.466%0.65676%0.756SS**  trans72.5155.4171.7830000121.7
628K32.9Very low29.7Very low186 Ų186142.9 Ų142.981%0.80976%0.755SS**  trans74.584158.7-68.6166.4-173165.70120.2
629L24.2Very low30Very low166 Ų166145.9 Ų145.987%0.86976%0.757SS**  -21.6140.7124.1-75.9154.1000113.6
630P31Very low30.3Very low112 Ų112149.2 Ų149.273%0.72777%0.766SS**  -144.6150.5101.129.5-10.8000117.8
631V34.1Very low30.5Very low118 Ų118147 Ų14772%0.71576%0.761SS**  trans67.688.6139.5-1790000119.2V633V631-V633 HydrophobicContact CG1-CG2 3.65Å; V631-V633 PolarHBondContact O-N 2.98Å
632L27.5Very low30.7Very low153 Ų153149.9 Ų149.980%0.80177%0.765SS**  trans-54.2111.2145.2173.594.5000112.6
633V32.3Very low30.9Very low125 Ų125148.2 Ų148.276%0.75875%0.749SS**  trans-128.6141.5157.4175.70000110.4V631V631-V633 HydrophobicContact CG1-CG2 3.65Å; V631-V633 PolarHBondContact O-N 2.98Å
634K32.3Very low30.9Very low177 Ų177150.4 Ų150.477%0.7775%0.746SS**  trans-97.1138.8-176.8-61.3159.6-1761570110.7
635Q34.6Very low31Very low182 Ų182147.1 Ų147.185%0.8573%0.728SS**  trans-115148.3148.4-69.1-160.57.100110.6
636P31.3Very low30.8Very low123 Ų123145.9 Ų145.980%0.79973%0.725SS**  trans-92112.7-164.233.6-33.7000113.7R638P636-R638 PolarHBondContact O-N 3.12Å
637I32.5Very low30.9Very low167 Ų167143.5 Ų143.586%0.85673%0.726SS**  trans-64.2106.2170.8-58174.3000110
638R32.2Very low30.9Very low192 Ų192142.1 Ų142.173%0.72573%0.733SS**PPolyproline II helixtrans-76.9136.6162.6-93.6178.1162.8144.1-11.6109.2P636 Q640P636-R638 PolarHBondContact O-N 3.12Å; R638-Q640 PolarHBondContact O-N 3.29Å
639K33.6Very low30.6Very low193 Ų193136.9 Ų136.984%0.83973%0.731SS**PPolyproline II helixtrans-73.9122.4178.8-64.5177.8179.1177.30110.5
640Q34.3Very low30.8Very low169 Ų169133.5 Ų133.579%0.7972%0.721SS**PPolyproline II helixtrans-69.8145.2163.4-73.9177.5-26.700110.5R638R638-Q640 PolarHBondContact O-N 3.29Å
641P29.8Very low30.9Very low83 Ų83136.7 Ų136.754%0.53973%0.726SS.*PPolyproline II helixtrans-65.7132.5168.1-22.637.1000110.9T338T338-P641 HydrophobicContact CG2-CB 4.04Å; T338-P641 HydrophobicContact CG2-CG 3.62Å
642R32.7Very low30.6Very low220 Ų220137.8 Ų137.883%0.8373%0.728SS**PPolyproline II helixtrans-83.5119.9-178-175.4177.7-173.9166.15.4110.6
643L29.1Very low30.8Very low53 Ų53138.1 Ų138.128%0.27773%0.731SS.*  trans-109.7171177.1-74.3139.6000110.9L336 A337 T338L336-L643 HydrophobicContact CB-CD1 4.07Å; L336-L643 HydrophobicContact CG-CB 4.25Å; L336-L643 HydrophobicContact CG-CD1 3.92Å; A337-L643 HydrophobicContact CB-CD2 3.99Å; A337-L643 VanDerWaalsContact O-CD1 3.25Å; A337-L643 WeakPolarHBondContact O-CD1 3.48Å; A337-L643 WeakPolarHBondContact O-CD2 3.37Å; T338-L643 HydrophobicContact CG2-CD1 4.43Å; T338-L643 WeakPolarHBondContact OG1-CD1 3.2Å
644R28.5Very low30.8Very low209 Ų209138.2 Ų138.279%0.78973%0.726SS**  trans-153.691.5-175.2-77.7-169.2173.2-157.9-3.7109.7
645S30.5Very low30.8Very low56 Ų56136.1 Ų136.139%0.39273%0.731SS.*  trans-85.9176.2153.9-64.20000110.2D335D335-S645 WeakPolarHBondContact CA-OG 3.23Å; D335-S645 VanDerWaalsContact OD1-CB 3.32Å; D335-S645 WeakPolarHBondContact OD1-CB 3.47Å; D335-S645 PolarHBondContact OD1-N 3.45Å; D335-S645 PolarHBondContact OD1-OG 2.98Å; D335-S645 PolarHBondContact OD2-N 2.88Å
646V27.6Very low30.4Very low116 Ų116133.6 Ų133.670%0.70372%0.722SS**  trans-131.5125.1-165.8-1770000109.5
647S30.1Very low30.3Very low107 Ų107133.9 Ų133.975%0.74872%0.715SS**  trans170.9174.3146.5-83.20000110.5
648G27.4Very low30.2Very low78 Ų78134.6 Ų134.680%0.80471%0.712SS**  trans86.8108.9152.500000115.5
649G27.7Very low30.1Very low75 Ų75131.6 Ų131.677%0.77371%0.71SS**  trans-86.4-176.9163.600000112.1
650S28.1Very low30.1Very low95 Ų95127.1 Ų127.166%0.66470%0.7SS**  trans55.6105.3170.3-171.80000116.7
651H32.8Very low29.9Very low180 Ų180127 Ų12783%0.83370%0.701SS**  -146.1144.398.8-101.6-82000109
652N28.7Very low30Very low140 Ų140129.6 Ų129.675%0.74971%0.711SS**  trans-86.8130.4175.3-64-46.9000109
653D31.7Very low29.8Very low161 Ų161123.2 Ų123.286%0.86170%0.699SS**  trans-140.9133.2156.9-95-49.5000109.1
654L30.6Very low29.9Very low127 Ų127127.8 Ų127.867%0.66572%0.722SS**  trans-95.7144.2-164-62.779000111.8I656L654-I656 HydrophobicContact CB-CG1 3.76Å; L654-I656 PolarHBondContact O-N 2.73Å; L654-I656 VanDerWaalsContact O-N 3.08Å
655P34.1Very low29.9Very low133 Ų133124.7 Ų124.786%0.86472%0.722SS**  trans-73.583.6140.332.3-28.5000108.3
656I25.4Very low30.1Very low128 Ų128127.1 Ų127.166%0.65674%0.736SS**  trans-54.4149.7167.8-46.8169.2000108.8L654L654-I656 HydrophobicContact CB-CG1 3.76Å; L654-I656 PolarHBondContact O-N 2.73Å; L654-I656 VanDerWaalsContact O-N 3.08Å
657I28.4Very low30.3Very low130 Ų130126.3 Ų126.367%0.66774%0.736SS**  156.5128125.1-79.5165000112
658K30.9Very low30.3Very low181 Ų181127.5 Ų127.579%0.78773%0.734SS**  trans68.2128.5168.9-67154.6-168.2178.10115.9
659N30.2Very low30.4Very low129 Ų129130.6 Ų130.669%0.6973%0.73SS**  cis-155.9125.91.7-111.57000109.1
660T32.6Very low30.5Very low100 Ų100133 Ų13361%0.61373%0.73SS**  63.5132.790.4630000115.2
661M31.9Very low30.4Very low166 Ų166134.7 Ų134.782%0.81874%0.736SS**  cis-139.6166-10.9-64.4-150.5-179.400107.5
662N30.3Very low30.1Very low138 Ų138134.2 Ų134.274%0.73873%0.734SS**  -158.6160.858.3-80.4-2.7000108.5
663S29.5Very low29.8Very low85 Ų85133.1 Ų133.159%0.59474%0.736SS**  cis-170.5150.1-11.847.80000109.2
664I30.4Very low29.7Very low149 Ų149134.5 Ų134.576%0.76473%0.734SS**  trans66.8129.5159.9-60.3156.6000116.3
665N29.4Very low29.5Very low144 Ų144133 Ų13377%0.7772%0.724SS**  cis-146.5158.1-19.5-117.2-5.5000111.2
666P35Very low29.3Very low108 Ų108135.2 Ų135.270%0.70172%0.723SS**  trans-106-151.4-177.443.2-35.8000112.6
667S30.8Very low29.3Very low98 Ų98136.1 Ų136.169%0.68573%0.728SS**  trans79.2145.8-178.3820000114.9
668N31.3Very low29.2Very low133 Ų133134.1 Ų134.171%0.71173%0.726SS**  cis-113.4141-15.1-87.7-52.7000108.4
669I28.7Very low29.1Very low142 Ų142128.7 Ų128.773%0.72871%0.714SS**  62.1136.163-52.9177.3000112.8
670T29.1Very low29Very low125 Ų125128.2 Ų128.277%0.76771%0.711SS**  trans106.4112.3164.5-39.40000116.3
671V25.7Very low28.6Very low131 Ų131125.8 Ų125.879%0.79470%0.698SS**  trans-73.4129.3168173.90000110
672Q27.8Very low28.4Very low170 Ų170123.3 Ų123.379%0.79469%0.689SS**  trans-152.9139.7151.6-120.2-178.647.300112.1
673C22.7Very low28.3Very low117 Ų117122.2 Ų122.279%0.79168%0.682SS**  trans-92.9133174.4-55.50000110.2
674K29.8Very low28.2Very low190 Ų190121.7 Ų121.783%0.82668%0.678SS**  trans-157.4144.7160.3-113.8165.1-174.2173.80111.3
675H25.7Very low28Very low96 Ų96121 Ų12144%0.44468%0.681SS.*  trans-94.5120.5170.7-78.4-99.4000110.3S329S329-H675 VanDerWaalsContact CB-CD2 3.49Å; S329-H675 WeakPolarHBondContact CB-CD2 3.41Å; S329-H675 WeakPolarHBondContact CB-ND1 3.44Å
676Q30.1Very low27.9Very low180 Ų180118.6 Ų118.684%0.84168%0.676SS**  trans-158.7120.3155.6-101.11581.400103.5
677L24.6Very low27.6Very low147 Ų147121.8 Ų121.877%0.7768%0.675SS**  cis68.1126.441.9-139.1174.5000110.8
678S25.8Very low27.4Very low87 Ų87123.9 Ų123.961%0.60868%0.677SS**  trans92.4149.7173.7-55.50000119.3
679A29Very low27.2Very low67 Ų67124.1 Ų124.155%0.55468%0.683SS**  trans87112.8154.900000120.8
680L28Very low27.1Very low120 Ų120123.1 Ų123.163%0.62868%0.684SS**  37.7101.8125.7-58.5131.1000117.8S258S258-L680 WeakPolarHBondContact OG-CA 3.26Å; S258-L680 PolarHBondContact OG-N 2.72Å
681S25.4Very low27.1Very low48 Ų48122.9 Ų122.934%0.33668%0.682SS.*  55.3116.279.175.10000116.2T256T256-S681 WeakPolarHBondContact O-CB 3.36Å; T256-S681 PolarHBondContact O-OG 2.8Å
682N26.8Very low27.2Very low115 Ų115123.9 Ų123.962%0.61568%0.683SS**  -175.4157.8116.2-92.4-33.6000113.9T256T256-N682 PolarHBondContact O-OD1 3.28Å; T256-N682 WeakPolarHBondContact OG1-CA 3.16Å; T256-N682 PolarHBondContact OG1-OD1 2.81Å
683L29.4Very low27.4Very low115 Ų115124.6 Ų124.660%0.60268%0.684SS**  trans44116.8160.3-86.351.7000118.5T256T256-L683 PolarHBondContact OG1-N 2.96Å
684S25.9Very low27.6Very low73 Ų73127.4 Ų127.451%0.5169%0.685SS.*  cis85.7115.843.4-169.50000115.1
685T26.6Very low27.7Very low136 Ų136127 Ų12783%0.83468%0.684SS**  trans65.4157.7164.957.40000116.3
686S28.1Very low27.7Very low93 Ų93128.3 Ų128.365%0.6570%0.698SS**  cis-150.3159.116.888.40000115.4
687Y27.5Very low27.7Very low174 Ų174124.6 Ų124.668%0.68269%0.691SS**  trans57.7140.8157.6-68.2-69000123.9K1437Y687-K1437 HydrophobicContact CE2-CD 4.34Å; Y687-K1437 WeakPolarHBondContact OH-CD 3.34Å; Y687-K1437 VanDerWaalsContact OH-CE 3.24Å; Y687-K1437 WeakPolarHBondContact OH-CE 3.28Å; Y687-K1437 PolarHBondContact OH-NZ 2.77Å
688I26.5Very low27.9Very low142 Ų142126.7 Ų126.773%0.72869%0.693SS**  trans-96.3150-177.8-65.6160.1000109T690I688-T690 HydrophobicContact CG2-CG2 3.91Å
689T27.8Very low28.3Very low138 Ų138130.5 Ų130.585%0.84771%0.705SS**  trans-129.3112155-37.50000109.9
690T27.2Very low28.2Very low122 Ų122134 Ų13475%0.74872%0.715SS**  trans-84.6112.4-178.731.80000111.2I688I688-T690 HydrophobicContact CG2-CG2 3.91Å
691V29.7Very low28.3Very low120 Ų120134.3 Ų134.373%0.72772%0.717SS**  trans-102.593.7166-176.60000109.4K693V691-K693 PolarHBondContact O-N 3.36Å
692N27.7Very low28.4Very low152 Ų152135.6 Ų135.681%0.81374%0.738SS**  trans-7792.5-176.1-158.1-4.7000110.9
693K31.7Very low28.4Very low184 Ų184139.2 Ų139.280%0.874%0.743SS**  trans-118.785.2171.3-88-177.9176.1170.60111.5V691 K695V691-K693 PolarHBondContact O-N 3.36Å; K693-K695 PolarHBondContact O-N 2.66Å
694Q27Very low28.5Very low177 Ų177143.4 Ų143.483%0.82775%0.751SS**  trans-58.788176.7-169.6-17945.200112.2
695K30.7Very low28.6Very low182 Ų182148.8 Ų148.879%0.79176%0.76SS**  trans-10397.7175.7-162.7173.1-174.2178.60110.6K693 C697K693-K695 PolarHBondContact O-N 2.66Å; K695-C697 PolarHBondContact O-N 3.04Å
696V27.2Very low28.9Very low122 Ų122148.5 Ų148.574%0.73976%0.759SS**  trans-64.5106.2-179.51790000110.6
697C29.8Very low29Very low102 Ų102152.6 Ų152.669%0.68977%0.772SS**  trans-109.296.4175.3-74.20000110.9K695 I699K695-C697 PolarHBondContact O-N 3.04Å; C697-I699 PolarHBondContact O-N 3Å
698K28.5Very low29Very low191 Ų191149.3 Ų149.383%0.8378%0.775SS**  trans-76.7114163.2-65.7-180180179.60109.3
699I33.2Very low29.2Very low168 Ų168147.9 Ų147.986%0.86277%0.773SS**  trans-140143.6154.2-85.4111.2000107.8C697C697-I699 PolarHBondContact O-N 3Å
700D28.5Very low29.2Very low141 Ų141144.2 Ų144.275%0.75476%0.762SS**  trans-120.6177.3-161.4-154-23000111.8
701N28.8Very low29.3Very low125 Ų125147.6 Ų147.667%0.66877%0.769SS**  trans78.775.7168.1-61.7-70.6000118.7
702G28.8Very low29.3Very low76 Ų76147.2 Ų147.278%0.78476%0.763SS**  trans-121.546.2161.100000113.1R704G702-R704 PolarHBondContact O-N 3.41Å
703R26.9Very low29.6Very low190 Ų190146 Ų14672%0.71776%0.763SS**  trans-50.183.9-159-155.3-176-152.2-153.98.1116.8
704R30.5Very low29.3Very low204 Ų204146 Ų14677%0.7776%0.758SS**  trans-74.9146.7159.3-76.2-167177.5-1483.2110.2G702G702-R704 PolarHBondContact O-N 3.41Å
705R27.9Very low29.3Very low185 Ų185145.2 Ų145.270%0.69876%0.755SS**  trans-94.1108.4172.8-67178.1-179.4174.2-4.4109.5E1367R705-E1367 IonicContact CZ-OE1 2.56Å; R705-E1367 IonicContact CZ-OE2 2.74Å; R705-E1367 IonicContact NE-OE1 2.75Å; R705-E1367 VanDerWaalsContact NH1-CD 3.26Å; R705-E1367 IonicContact NH1-OE1 2.68Å; R705-E1367 PolarHBondContact NH1-OE1 2.97Å; R705-E1367 IonicContact NH1-OE2 3.1Å; R705-E1367 PolarHBondContact NH1-OE2 3Å; R705-E1367 IonicContact NH2-OE1 3.18Å; R705-E1367 PolarHBondContact NH2-OE1 3.14Å; R705-E1367 IonicContact NH2-OE2 2.97Å; R705-E1367 PolarHBondContact NH2-OE2 3.49Å
706T32.7Very low29.2Very low131 Ų131143.9 Ų143.980%0.80476%0.761SS**PPolyproline II helixtrans-91.2137159.343.30000108.7
707L30.9Very low29.3Very low179 Ų179145.2 Ų145.294%0.93776%0.763SS**PPolyproline II helixtrans-82.5125.2168.1-73.5172.9000108
708S26.3Very low29.1Very low105 Ų105146.4 Ų146.473%0.73476%0.763SS**PPolyproline II helixtrans-91.2122-170.3171.90000112.2
709T32Very low29.2Very low112 Ų112145.1 Ų145.169%0.68776%0.762SS**  trans-111107.3148.954.50000106.3R432R432-T709 VanDerWaalsContact NH1-CG2 3.27Å
710G26.4Very low28.9Very low60 Ų60143 Ų14362%0.61975%0.752SS**  trans-93.5146.8-158.300000115.2
711H30.8Very low29.1Very low194 Ų194144 Ų14490%0.89876%0.758SS**  trans-139.2143.8141.5-121.2-67.9000108.6P713H711-P713 WeakPolarHBondContact O-CD 3.44Å
712D30.1Very low29.1Very low111 Ų111145.4 Ų145.459%0.59477%0.765SS**  trans-89115.6-173-177.917.3000111.5R714D712-R714 PolarHBondContact O-N 3.38Å; D712-R714 WeakPolarHBondContact OD2-CD 3.11Å; D712-R714 WeakPolarHBondContact OD2-CG 3.49Å; D712-R714 IonicContact OD2-NE 3.84Å
713P32.2Very low29.4Very low127 Ų127149.1 Ų149.183%0.82577%0.767SS**  trans-80.161.5177.934.9-35.8000111.3H711 Q715H711-P713 WeakPolarHBondContact O-CD 3.44Å; P713-Q715 PolarHBondContact O-N 3.22Å
714R25.8Very low29.6Very low185 Ų185144.5 Ų144.570%0.69876%0.764SS**  trans-80.5112.7175.4-100.7-176.7174.2-117.9-1.2111.8D712D712-R714 PolarHBondContact O-N 3.38Å; D712-R714 WeakPolarHBondContact OD2-CD 3.11Å; D712-R714 WeakPolarHBondContact OD2-CG 3.49Å; D712-R714 IonicContact OD2-NE 3.84Å
715Q26.4Very low29.8Very low160 Ų160142.6 Ų142.675%0.74877%0.769SS**  trans61.793.4152.2-53.5176.65.400117.3P713P713-Q715 PolarHBondContact O-N 3.22Å
716V28.9Very low30.1Very low154 Ų154140.4 Ų140.493%0.93377%0.771SS**  trans-127.1141.9137-177.30000108.5
717L29.2Very low30.1Very low149 Ų149142 Ų14278%0.7878%0.775SS**  trans-74.3138.6-166.5-72.5151.5000113.3M719L717-M719 PolarHBondContact O-N 3.31Å
718N25.6Very low30.1Very low128 Ų128141.3 Ų141.368%0.68477%0.767SS**  trans-31111.8150.4171.292.9000112.8
719M31.2Very low30.5Very low164 Ų164144.6 Ų144.681%0.80877%0.77SS**  trans-131.596.5163-78.2-66.6146.600108.4L717L717-M719 PolarHBondContact O-N 3.31Å
720N26.4Very low30.5Very low123 Ų123145.6 Ų145.666%0.65877%0.771SS**  trans-71.1134.9157.6-62-13.5000107.1
721N32.7Very low30.7Very low163 Ų163150.1 Ų150.187%0.87278%0.781SS**  trans-153.4113.7146.1-99.8-12.5000106.4
722D29.9Very low30.7Very low154 Ų154148.1 Ų148.182%0.82478%0.777SS**  trans-73.7130.3170.2-54.1-83.6000108.8
723D33.9Very low30.6Very low153 Ų153150.4 Ų150.482%0.81879%0.789SS**  trans-145.8102.3154.3-120.6-29.7000108.4
724S32.4Very low30.8Very low93 Ų93149.3 Ų149.365%0.6578%0.776SS**  trans-103.6105.3-169.660.80000111.4
725N34.1Very low31.2Very low165 Ų165145.1 Ų145.188%0.88278%0.775SS**  trans-103.9113159.5-77.4-40.3000108.7
726N33.6Very low31.9Very low138 Ų138140.6 Ų140.674%0.73876%0.756SS**  trans-94.4118.9175.6-71.9-76.3000109.4
727D32.4Very low32.6Very low166 Ų166138.9 Ų138.989%0.88874%0.736SS**  trans-107.2146.6150.6-89-55.4000109.8
728H32.1Very low32.8Very low164 Ų164131.9 Ų131.976%0.75970%0.699SS**  trans-76.4136.1-166.6-81.235.9000113
729H33.5Very low33.1Very low174 Ų174131.3 Ų131.381%0.80670%0.702SS**  trans-153103.9135.6-97.9-54.1000112.7
730D32.8Very low33.4Very low132 Ų132127.1 Ų127.171%0.70669%0.689SS**  trans37.996.7143-50.8-59.9000119.9N732D730-N732 PolarHBondContact O-N 3.03Å
731N30.2Very low34Very low156 Ų156124.8 Ų124.883%0.83468%0.682SS**  trans-79.3110.8165.9-78.5-65.9000111.8
732N31.1Very low34Very low152 Ų152119.4 Ų119.481%0.81366%0.664SS**  trans-101.2112.9160.1-98.3-33.6000110.3D730 L734D730-N732 PolarHBondContact O-N 3.03Å; N732-L734 PolarHBondContact O-N 2.83Å
733N29.2Very low34.4Very low158 Ų158118.3 Ų118.385%0.84565%0.654SS**  trans-74.6103.2-178.2-82.3-51.9000111.8
734L34.5Very low34.8Very low105 Ų105116.2 Ų116.255%0.5564%0.642SS.*  trans-89.2140.5150-79.680.7000108.9N732 N736 T780N732-L734 PolarHBondContact O-N 2.83Å; L734-N736 PolarHBondContact O-N 2.66Å; L734-N736 VanDerWaalsContact O-N 3.14Å; L734-N736 PolarHBondContact O-OD1 3.45Å; L734-T780 HydrophobicContact CD2-CG2 4.37Å
735S36.1Very low35.5Very low96 Ų96113.6 Ų113.667%0.67162%0.622SS**  trans-74.1104.6177.9165.70000110.1K737S735-K737 PolarHBondContact O-N 2.93Å
736N41Very low36.2Very low66 Ų66110.3 Ų110.335%0.35360%0.604SS.*  trans-6728.3179.1-63.1-14.9000115L734 I744 V745L734-N736 PolarHBondContact O-N 2.66Å; L734-N736 VanDerWaalsContact O-N 3.14Å; L734-N736 PolarHBondContact O-OD1 3.45Å; N736-I744 CarbonylContact O-C 3.47Å; N736-I744 WeakPolarHBondContact O-CA 3.01Å; N736-V745 WeakPolarHBondContact CB-O 3.24Å; N736-V745 PolarHBondContact O-N 3.14Å
737K43.3Very low36.7Very low118 Ų118109.8 Ų109.851%0.51359%0.592SS.*BIsolated β-bridgetrans-104.4120.9174.4-74.4174.3178.6173.10109.4S735 P739 H743 I744S735-K737 PolarHBondContact O-N 2.93Å; K737-P739 WeakPolarHBondContact O-CD 3.38Å; K737-H743 WeakPolarHBondContact CA-O 3.31Å; K737-I744 HydrophobicContact CD-CG1 4.34Å; K737-I744 HydrophobicContact CG-CG1 3.67Å
738C32.2Very low37.1Very low2 Ų2107.5 Ų107.51%0.01458%0.58CS.*  trans-60.2123.9172173.60000110.3S740 C741 G742 H743 L782C738-S740 PolarHBondContact O-N 3.17Å; C738-C741 VanDerWaalsContact CB-SG 3.54Å; C738-C741 PolarHBondContact O-N 3.4Å; C738-C741 VanDerWaalsContact SG-SG 3.62Å; C738-G742 WeakPolarHBondContact O-CA 3.22Å; C738-G742 PolarHBondContact O-N 3.21Å; C738-H743 PolarHBondContact N-O 2.91Å; C738-H743 VanDerWaalsContact N-O 3.13Å; C738-L782 HydrophobicContact CB-CD2 4.37Å
739P32.9Very low37.7Very low115 Ų115104.5 Ų104.575%0.74757%0.569SS**THydrogen-bonded Turntrans-58.3-32.7-179.1-2735.8000114K737K737-P739 WeakPolarHBondContact O-CD 3.38Å
740S36.3Very low37.9Very low76 Ų7697 Ų9753%0.53154%0.536SS..THydrogen-bonded Turntrans-84.4-18-174.1-51.20000114.8C738 S784C738-S740 PolarHBondContact O-N 3.17Å; S740-S784 WeakPolarHBondContact CB-OG 3.32Å; S740-S784 PolarHBondContact OG-OG 3.09Å; S740-S784 VanDerWaalsContact OG-OG 3.07Å
741C40.1Very low38.2Very low75 Ų7596.6 Ų96.651%0.50753%0.528SS..THydrogen-bonded Turntrans-138.7-4.7-175.9760000115.4C738 H743C738-C741 VanDerWaalsContact CB-SG 3.54Å; C738-C741 PolarHBondContact O-N 3.4Å; C738-C741 VanDerWaalsContact SG-SG 3.62Å; C741-H743 PolarHBondContact O-N 3.09Å; C741-H743 VanDerWaalsContact O-N 3.09Å
742G32.3Very low38.6Very low49 Ų4993.5 Ų93.551%0.50552%0.515SS..  trans69.1-1.1178.500000115.5C738 I744C738-G742 WeakPolarHBondContact O-CA 3.22Å; C738-G742 PolarHBondContact O-N 3.21Å; G742-I744 PolarHBondContact O-N 2.78Å
743H37.9Very low39Very low132 Ų13290.3 Ų90.361%0.61149%0.494SS*.PPolyproline II helixtrans-66.4126.8-177.3-157.8-63.7000110.4K737 C738 C741K737-H743 WeakPolarHBondContact CA-O 3.31Å; C738-H743 PolarHBondContact N-O 2.91Å; C738-H743 VanDerWaalsContact N-O 3.13Å; C741-H743 PolarHBondContact O-N 3.09Å; C741-H743 VanDerWaalsContact O-N 3.09Å
744I43.8Very low39.4Very low109 Ų10988.8 Ų88.856%0.55948%0.481SS*.BIsolated β-bridgetrans-76.9126.5172-59.9167.4000107.7N736 K737 G742N736-I744 CarbonylContact O-C 3.47Å; N736-I744 WeakPolarHBondContact O-CA 3.01Å; K737-I744 HydrophobicContact CD-CG1 4.34Å; K737-I744 HydrophobicContact CG-CG1 3.67Å; G742-I744 PolarHBondContact O-N 2.78Å
745V47.1Very low39.4Very low37 Ų3794.2 Ų94.222%0.22449%0.494CS..PPolyproline II helixtrans-95.8123.6172.2-177.90000108.6N736 W747 C750 L782N736-V745 WeakPolarHBondContact CB-O 3.24Å; N736-V745 PolarHBondContact O-N 3.14Å; V745-W747 PolarHBondContact O-N 3.16Å; V745-C750 HydrophobicContact CG1-CB 4.13Å; V745-L782 HydrophobicContact CG2-CD2 4.25Å
746D48.8Very low39.3Very low97 Ų9796.1 Ų96.152%0.51949%0.493SS..  trans-74112.8174-172.7-22.1000109.5N748 L749 C750D746-N748 PolarHBondContact O-N 3.19Å; D746-N748 PolarHBondContact OD1-N 3.18Å; D746-N748 VanDerWaalsContact OD1-N 3.09Å; D746-L749 HydrophobicContact CB-CB 4.21Å; D746-L749 PolarHBondContact O-N 2.77Å; D746-C750 WeakPolarHBondContact O-CB 3.31Å; D746-C750 PolarHBondContact O-N 3.32Å
747W43.9Very low39.1Very low127 Ų12797.4 Ų97.448%0.48149%0.493SS..Hα-helixtrans-57.7-33.1-175.3-172.8-118.4000112.8V745 C750 K751V745-W747 PolarHBondContact O-N 3.16Å; W747-C750 VanDerWaalsContact O-CB 3.31Å; W747-C750 WeakPolarHBondContact O-CB 3.32Å; W747-C750 PolarHBondContact O-N 2.99Å; W747-C750 VanDerWaalsContact O-N 3.16Å; W747-K751 PolarHBondContact O-N 3.37Å
748N39.3Very low38.7Very low118 Ų11894.5 Ų94.563%0.63148%0.482SS*.Hα-helixtrans-75.7-36.9-178.6-66.6-29.8000111.8D746 C750D746-N748 PolarHBondContact O-N 3.19Å; D746-N748 PolarHBondContact OD1-N 3.18Å; D746-N748 VanDerWaalsContact OD1-N 3.09Å; N748-C750 PolarHBondContact O-N 3.23Å
749L44.5Very low38.7Very low101 Ų10197.2 Ų97.253%0.52950%0.501SS..Hα-helixtrans-71.8-19.1168.7-165.468.3000112D746 T752 K753D746-L749 HydrophobicContact CB-CB 4.21Å; D746-L749 PolarHBondContact O-N 2.77Å; L749-T752 PolarHBondContact O-OG1 3.4Å; L749-K753 WeakPolarHBondContact O-CG 3.38Å
750C39.6Very low38.7Very low16 Ų1691.7 Ų91.711%0.10847%0.465CS..Hα-helixtrans-79.8-42178-151.50000112.3V745 D746 W747 N748 T752 K753 Q754 Y773V745-C750 HydrophobicContact CG1-CB 4.13Å; D746-C750 WeakPolarHBondContact O-CB 3.31Å; D746-C750 PolarHBondContact O-N 3.32Å; W747-C750 VanDerWaalsContact O-CB 3.31Å; W747-C750 WeakPolarHBondContact O-CB 3.32Å; W747-C750 PolarHBondContact O-N 2.99Å; W747-C750 VanDerWaalsContact O-N 3.16Å; N748-C750 PolarHBondContact O-N 3.23Å; C750-T752 VanDerWaalsContact C-N 3.35Å; C750-T752 PolarHBondContact O-N 3.21Å; C750-K753 PolarHBondContact O-N 3.4Å; C750-Q754 WeakPolarHBondContact O-CB 3.45Å; C750-Q754 PolarHBondContact O-N 2.69Å; C750-Y773 VanDerWaalsContact SG-CE2 3.53Å; C750-Y773 PolarHBondContact SG-OH 3.34Å
751K38.8Very low38.8Very low124 Ų12491.1 Ų91.154%0.53946%0.458SS..Hα-helixtrans-60.8-37178.5-79.5-174.1173.3-176.70114W747W747-K751 PolarHBondContact O-N 3.37Å
752T37.2Very low38.8Very low91 Ų9191.8 Ų91.856%0.55845%0.454SS*.Hα-helixtrans-69.9-45.7175.847.10000111.2L749 C750 Q754 R755L749-T752 PolarHBondContact O-OG1 3.4Å; C750-T752 VanDerWaalsContact C-N 3.35Å; C750-T752 PolarHBondContact O-N 3.21Å; T752-Q754 VanDerWaalsContact C-N 3.3Å; T752-Q754 PolarHBondContact O-N 2.89Å; T752-R755 PolarHBondContact O-N 3.03Å
753K40.8Very low39Very low85 Ų8590 Ų9037%0.3743%0.434SS..Hα-helixtrans-63.8-31.3174.3-74.6-178.6176.9-177.90113.6L749 C750 R755 E756 W757L749-K753 WeakPolarHBondContact O-CG 3.38Å; C750-K753 PolarHBondContact O-N 3.4Å; K753-R755 PolarHBondContact O-N 2.94Å; K753-E756 PolarHBondContact O-N 3.24Å; K753-W757 HydrophobicContact CD-CZ2 4.36Å; K753-W757 PolarHBondContact O-N 3.31Å
754Q36.2Very low39Very low125 Ų12585.9 Ų85.958%0.58442%0.416SS*.Hα-helixtrans-57.9-22.3177.9-167.8174.810.100112.5C750 T752 I758C750-Q754 WeakPolarHBondContact O-CB 3.45Å; C750-Q754 PolarHBondContact O-N 2.69Å; T752-Q754 VanDerWaalsContact C-N 3.3Å; T752-Q754 PolarHBondContact O-N 2.89Å; Q754-I758 VanDerWaalsContact O-CD1 3.23Å; Q754-I758 WeakPolarHBondContact O-CD1 3.25Å; Q754-I758 VanDerWaalsContact O-CG1 3.31Å; Q754-I758 WeakPolarHBondContact O-CG1 3.43Å
755R34.6Very low39Very low219 Ų21983.7 Ų83.783%0.82641%0.411SS*.Hα-helixtrans-88.5-23.4174.5-158.5176.2-71.9-153.2-1.4113.9T752 K753T752-R755 PolarHBondContact O-N 3.03Å; K753-R755 PolarHBondContact O-N 2.94Å
756E34.6Very low38.6Very low136 Ų13682.6 Ų82.664%0.63641%0.405SS*.Hα-helixtrans-88.7-31.8178.2-68.5178148.700112.9K753 I758K753-E756 PolarHBondContact O-N 3.24Å; E756-I758 PolarHBondContact O-N 2.65Å
757W36.5Very low38.5Very low94 Ų9480.5 Ų80.536%0.35640%0.397SS..THydrogen-bonded Turntrans-85.77.4-171.1-6946.4000113.3K753K753-W757 HydrophobicContact CD-CZ2 4.36Å; K753-W757 PolarHBondContact O-N 3.31Å
758I35.5Very low39.1Very low56 Ų5683.5 Ų83.529%0.28741%0.414SS..THydrogen-bonded Turntrans-75.6-30.5-179.3-74.7169.7000112.2Q754 E756 G760 R1279 V1280Q754-I758 VanDerWaalsContact O-CD1 3.23Å; Q754-I758 WeakPolarHBondContact O-CD1 3.25Å; Q754-I758 VanDerWaalsContact O-CG1 3.31Å; Q754-I758 WeakPolarHBondContact O-CG1 3.43Å; E756-I758 PolarHBondContact O-N 2.65Å; I758-G760 PolarHBondContact O-N 2.85Å; I758-G760 VanDerWaalsContact O-N 3.08Å; I758-R1279 HydrophobicContact CG2-CB 3.45Å; I758-R1279 VanDerWaalsContact CG2-CB 3.45Å; I758-V1280 HydrophobicContact CB-CG2 4.44Å; I758-V1280 HydrophobicContact CG1-CG2 4.15Å; I758-V1280 HydrophobicContact CG2-CG2 4.21Å
759S33Very low39.8Very low59 Ų5981.8 Ų81.841%0.41341%0.408SS..SBendtrans-69109.4165.41760000108.2V761 H762 D1283S759-V761 PolarHBondContact O-N 3.39Å; S759-H762 PolarHBondContact O-N 3.13Å; S759-D1283 PolarHBondContact OG-OD2 3.35Å
760G32.5Very low40.4Very low0 Ų079.9 Ų79.90%040%0.398CS..THydrogen-bonded Turntrans-62.9-14.5-173.400000113.3I758 H762 A763 L764 D1283I758-G760 PolarHBondContact O-N 2.85Å; I758-G760 VanDerWaalsContact O-N 3.08Å; G760-H762 PolarHBondContact O-N 2.87Å; G760-H762 VanDerWaalsContact O-N 3.16Å; G760-A763 WeakPolarHBondContact O-CA 3.4Å; G760-A763 WeakPolarHBondContact O-CB 3.36Å; G760-A763 PolarHBondContact O-N 3.11Å; G760-L764 WeakPolarHBondContact O-CD2 3.34Å; G760-L764 VanDerWaalsContact O-CG 3.25Å; G760-L764 WeakPolarHBondContact O-CG 3.2Å; G760-L764 PolarHBondContact O-N 3.33Å; G760-D1283 PolarHBondContact N-OD2 3.16Å
761V38.5Very low41.9Very low63 Ų6380.6 Ų80.638%0.38240%0.403SS..Hα-helixtrans-48.5-36.1164.8-175.80000112S759 L764 D1283S759-V761 PolarHBondContact O-N 3.39Å; V761-L764 VanDerWaalsContact O-CB 3.32Å; V761-L764 WeakPolarHBondContact O-CB 3.48Å; V761-L764 WeakPolarHBondContact O-CG 3.36Å; V761-L764 PolarHBondContact O-N 3.11Å; V761-D1283 PolarHBondContact N-OD2 3.45Å
762H38.6Very low43.4Very low90 Ų9075.2 Ų75.242%0.41738%0.38SS..Hα-helixtrans-73.7-27.6176.5-102.1-83.2000114.1S759 G760 L764 S765 C766S759-H762 PolarHBondContact O-N 3.13Å; G760-H762 PolarHBondContact O-N 2.87Å; G760-H762 VanDerWaalsContact O-N 3.16Å; H762-L764 PolarHBondContact O-N 3.11Å; H762-S765 PolarHBondContact O-OG 3.46Å; H762-C766 PolarHBondContact O-SG 2.84Å
763A36.9Very low45.1Very low10 Ų1075.4 Ų75.48%0.08337%0.372CS..Hα-helixtrans-66.7-15.4169.700000112.2G760 V772 R786 L1284G760-A763 WeakPolarHBondContact O-CA 3.4Å; G760-A763 WeakPolarHBondContact O-CB 3.36Å; G760-A763 PolarHBondContact O-N 3.11Å; A763-V772 HydrophobicContact CB-CG1 4.08Å; A763-R786 WeakPolarHBondContact O-CD 3.4Å; A763-R786 VanDerWaalsContact O-CG 3.25Å; A763-R786 WeakPolarHBondContact O-CG 3.27Å; A763-L1284 HydrophobicContact CB-CD1 4.2Å
764L39.2Very low46.9Very low46 Ų4671.9 Ų71.924%0.24136%0.358CS..Hα-helixtrans-88.7-34.5-175.5-42.1-173.6000112.7G760 V761 H762 C766 R786 A1287G760-L764 WeakPolarHBondContact O-CD2 3.34Å; G760-L764 VanDerWaalsContact O-CG 3.25Å; G760-L764 WeakPolarHBondContact O-CG 3.2Å; G760-L764 PolarHBondContact O-N 3.33Å; V761-L764 VanDerWaalsContact O-CB 3.32Å; V761-L764 WeakPolarHBondContact O-CB 3.48Å; V761-L764 WeakPolarHBondContact O-CG 3.36Å; V761-L764 PolarHBondContact O-N 3.11Å; H762-L764 PolarHBondContact O-N 3.11Å; L764-C766 VanDerWaalsContact C-N 3.29Å; L764-R786 PolarHBondContact O-NH1 3.34Å; L764-A1287 HydrophobicContact CD1-CB 3.3Å; L764-A1287 HydrophobicContact CD2-CB 3.23Å; L764-A1287 HydrophobicContact CG-CB 3.85Å
765S42.4Very low48.5Very low64 Ų6466.5 Ų66.545%0.44833%0.333SS..Hα-helixtrans-79.4-12.6176.3530000112.8H762 S767H762-S765 PolarHBondContact O-OG 3.46Å; S765-S767 PolarHBondContact O-N 3.05Å
766C38.8Very low50.2Low14 Ų1457.4 Ų57.410%0.09530%0.302CS..  trans-55.9120169-71.50000111.4H762 L764 D770 V772H762-C766 PolarHBondContact O-SG 2.84Å; L764-C766 VanDerWaalsContact C-N 3.29Å; C766-D770 HydrophobicContact CB-CB 4.02Å; C766-V772 HydrophobicContact CB-CG2 3.81Å
767S47.2Very low51Low52 Ų5255.5 Ų55.536%0.36430%0.297SS..  trans-72.4172.5176.575.90000111.7S765 T769 D770S765-S767 PolarHBondContact O-N 3.05Å; S767-T769 PolarHBondContact O-N 3.14Å; S767-T769 PolarHBondContact OG-N 2.56Å; S767-T769 PolarHBondContact OG-OG1 3.31Å; S767-T769 VanDerWaalsContact OG-OG1 3.13Å; S767-D770 WeakPolarHBondContact CA-OD2 3.3Å; S767-D770 WeakPolarHBondContact CB-OD2 3.41Å; S767-D770 PolarHBondContact N-OD2 3.33Å; S767-D770 PolarHBondContact O-N 3.03Å; S767-D770 PolarHBondContact OG-OD1 3.03Å; S767-D770 PolarHBondContact OG-OD2 3.04Å
768K57.2Low52Low190 Ų19059.2 Ų59.283%0.82632%0.323SS*.THydrogen-bonded Turntrans-64.22.6175.2-170.2165.8179.2176.60114.1
769T53.2Low53.9Low83 Ų8357.7 Ų57.751%0.50932%0.317SS..THydrogen-bonded Turntrans-115.8-3.4172.454.10000114.1S767S767-T769 PolarHBondContact O-N 3.14Å; S767-T769 PolarHBondContact OG-N 2.56Å; S767-T769 PolarHBondContact OG-OG1 3.31Å; S767-T769 VanDerWaalsContact OG-OG1 3.13Å
770D58.2Low55.9Low60 Ų6059.9 Ų59.932%0.32133%0.329SS..SBendtrans-96131-173.2-55.5-36.5000110.2C766 S767 G785C766-D770 HydrophobicContact CB-CB 4.02Å; S767-D770 WeakPolarHBondContact CA-OD2 3.3Å; S767-D770 WeakPolarHBondContact CB-OD2 3.41Å; S767-D770 PolarHBondContact N-OD2 3.33Å; S767-D770 PolarHBondContact O-N 3.03Å; S767-D770 PolarHBondContact OG-OD1 3.03Å; S767-D770 PolarHBondContact OG-OD2 3.04Å; D770-G785 WeakPolarHBondContact O-CA 3.46Å; D770-G785 PolarHBondContact O-N 3.4Å
771C70Confident57.9Low31 Ų3164.8 Ų64.821%0.20935%0.348CS..  trans-82.8130.1-174.4-63.20000110.7L782 C783C771-L782 HydrophobicContact CB-CD1 3.79Å; C771-L782 HydrophobicContact CB-CD2 3.92Å; C771-L782 HydrophobicContact CB-CG 3.8Å; C771-C783 CarbonylContact C-O 3.58Å; C771-C783 WeakPolarHBondContact CA-O 3.4Å
772V70.2Confident59.8Low11 Ų1163 Ų637%0.06734%0.336CS..EExtended strand (participates in β ladder)trans-125.3127.3-175.9-1690000109A763 C766 C783 L789A763-V772 HydrophobicContact CB-CG1 4.08Å; C766-V772 HydrophobicContact CB-CG2 3.81Å; V772-C783 PolarHBondContact N-O 3.49Å; V772-C783 VanDerWaalsContact O-CB 3.32Å; V772-C783 WeakPolarHBondContact O-CB 3.42Å; V772-C783 PolarHBondContact O-N 3.29Å; V772-L789 HydrophobicContact CB-CD2 4.43Å; V772-L789 HydrophobicContact CG1-CD2 3.8Å
773Y73.4Confident61.9Low95 Ų9558.7 Ų58.737%0.37332%0.316SS..EExtended strand (participates in β ladder)trans-69.5151176.1-72.2-86.1000111.4C750 L782C750-Y773 VanDerWaalsContact SG-CE2 3.53Å; C750-Y773 PolarHBondContact SG-OH 3.34Å; Y773-L782 HydrophobicContact CD1-CD1 3.9Å; Y773-L782 HydrophobicContact CD2-CD1 3.85Å; Y773-L782 HydrophobicContact CE1-CD1 3.84Å; Y773-L782 HydrophobicContact CE2-CD1 3.79Å; Y773-L782 HydrophobicContact CG-CD1 3.9Å
774C78.9Confident63.8Low11 Ų1159.2 Ų59.27%0.07432%0.319CS..  trans-60.3135.1164.4-1710000109.6V776 C779 Y781 H792 H797C774-V776 PolarHBondContact O-N 3.19Å; C774-C779 HydrophobicContact CB-CB 3.85Å; C774-C779 WeakPolarHBondContact CB-SG 3.45Å; C774-C779 VanDerWaalsContact SG-SG 3.66Å; C774-Y781 PolarHBondContact N-O 3.02Å; C774-H792 PolarHBondContact SG-CD2 2.83Å; C774-H797 PolarHBondContact SG-NE2 3.16Å; C774-H797 VanDerWaalsContact SG-NE2 3.38Å
775P69.2Low65.5Low12 Ų1257 Ų578%0.07831%0.308CS..SBendtrans-77.90.2178.636.6-43.5000113.8L793 P1277 V1280 I1281 L1284P775-L793 HydrophobicContact CG-CD2 4.15Å; P775-P1277 WeakPolarHBondContact O-CB 3.34Å; P775-V1280 HydrophobicContact CB-CB 3.69Å; P775-V1280 HydrophobicContact CB-CG1 3.65Å; P775-I1281 HydrophobicContact CB-CG1 3.76Å; P775-I1281 HydrophobicContact CG-CG1 3.95Å; P775-L1284 HydrophobicContact CB-CD2 4.37Å; P775-L1284 HydrophobicContact CG-CD2 3.68Å
776V70.3Confident66.8Low29 Ų2957.7 Ų57.718%0.17630%0.301CS..SBendtrans-95.3126.9-173.9-173.70000109.7C774 C779 L793 H797 P1277C774-V776 PolarHBondContact O-N 3.19Å; V776-C779 HydrophobicContact CB-CB 4.27Å; V776-C779 WeakPolarHBondContact O-CB 3.39Å; V776-C779 PolarHBondContact O-N 3.05Å; V776-L793 HydrophobicContact CG2-CD2 3.84Å; V776-H797 HydrophobicContact CG2-CB 4.39Å; V776-P1277 HydrophobicContact CB-CG 4.37Å; V776-P1277 HydrophobicContact CG1-CG 3.93Å
777D51.8Low68.3Low96 Ų9660.2 Ų60.251%0.51332%0.322SS..THydrogen-bonded Turntrans-53151.4174.8-66.7-28.9000111.5C779 P1277D777-C779 PolarHBondContact O-N 3.07Å; D777-P1277 HydrophobicContact CB-CB 4.19Å; D777-P1277 HydrophobicContact CB-CG 3.83Å; D777-P1277 VanDerWaalsContact OD2-CA 3.27Å; D777-P1277 WeakPolarHBondContact OD2-CA 3.22Å
778N56.3Low69.6Low171 Ų17160.4 Ų60.491%0.91432%0.319SS*.THydrogen-bonded Turntrans62.1-7.3-169.7-52.1-37.2000115.1T780N778-T780 PolarHBondContact O-N 3.18Å
779C75.4Confident70.6Confident24 Ų2451.5 Ų51.516%0.16228%0.28CS..  trans-90.699175.8-167.40000112.9C774 V776 D777 Y781 H792 H797C774-C779 HydrophobicContact CB-CB 3.85Å; C774-C779 WeakPolarHBondContact CB-SG 3.45Å; C774-C779 VanDerWaalsContact SG-SG 3.66Å; V776-C779 HydrophobicContact CB-CB 4.27Å; V776-C779 WeakPolarHBondContact O-CB 3.39Å; V776-C779 PolarHBondContact O-N 3.05Å; D777-C779 PolarHBondContact O-N 3.07Å; C779-Y781 PolarHBondContact O-N 3.25Å; C779-Y781 VanDerWaalsContact O-N 3.15Å; C779-H792 VanDerWaalsContact SG-CE1 3.52Å; C779-H792 PolarHBondContact SG-NE2 2.79Å; C779-H797 WeakPolarHBondContact CB-NE2 3.39Å; C779-H797 PolarHBondContact SG-NE2 2.88Å
780T75.3Confident71.5Confident106 Ų10648.9 Ų48.965%0.6527%0.266SS*.  trans-79.515.3177.664.30000114.1L734 N778L734-T780 HydrophobicContact CD2-CG2 4.37Å; N778-T780 PolarHBondContact O-N 3.18Å
781Y74.3Confident72.2Confident102 Ų10248.5 Ų48.540%0.427%0.271SS..  trans-82.1135.1-171.9-165-100.1000112.9C774 C779 C783 H792C774-Y781 PolarHBondContact N-O 3.02Å; C779-Y781 PolarHBondContact O-N 3.25Å; C779-Y781 VanDerWaalsContact O-N 3.15Å; Y781-C783 VanDerWaalsContact CD1-SG 3.59Å; Y781-H792 HydrophobicContact CD1-CB 4.12Å; Y781-H792 AromaticContact CD1-CE1 3.84Å; Y781-H792 AromaticContact CD1-CG 3.63Å; Y781-H792 AromaticContact CD1-ND1 3.16Å; Y781-H792 WeakPolarHBondContact CD1-ND1 3.4Å; Y781-H792 HydrophobicContact CE1-CB 4.3Å; Y781-H792 AromaticContact CE1-ND1 3.76Å; Y781-H792 AromaticContact CG-CE1 3.71Å; Y781-H792 AromaticContact CG-ND1 3.47Å
782L79.8Confident72.7Confident25 Ų2547.6 Ų47.613%0.13126%0.263CS..EExtended strand (participates in β ladder)trans-113.3105.8-175.5-174.268.8000110.4C738 V745 C771 Y773C738-L782 HydrophobicContact CB-CD2 4.37Å; V745-L782 HydrophobicContact CG2-CD2 4.25Å; C771-L782 HydrophobicContact CB-CD1 3.79Å; C771-L782 HydrophobicContact CB-CD2 3.92Å; C771-L782 HydrophobicContact CB-CG 3.8Å; Y773-L782 HydrophobicContact CD1-CD1 3.9Å; Y773-L782 HydrophobicContact CD2-CD1 3.85Å; Y773-L782 HydrophobicContact CE1-CD1 3.84Å; Y773-L782 HydrophobicContact CE2-CD1 3.79Å; Y773-L782 HydrophobicContact CG-CD1 3.9Å
783C82.6Confident73Confident0 Ų047.9 Ų47.90%026%0.264CS..EExtended strand (participates in β ladder)trans-86.3141.4-172.9-55.50000111.6C771 V772 Y781 G785 D788 L789C771-C783 CarbonylContact C-O 3.58Å; C771-C783 WeakPolarHBondContact CA-O 3.4Å; V772-C783 PolarHBondContact N-O 3.49Å; V772-C783 VanDerWaalsContact O-CB 3.32Å; V772-C783 WeakPolarHBondContact O-CB 3.42Å; V772-C783 PolarHBondContact O-N 3.29Å; Y781-C783 VanDerWaalsContact CD1-SG 3.59Å; C783-G785 PolarHBondContact O-N 2.97Å; C783-D788 HydrophobicContact CB-CB 3.7Å; C783-L789 HydrophobicContact CB-CB 3.85Å; C783-L789 VanDerWaalsContact SG-CA 3.56Å
784S76.5Confident73Confident21 Ų2146.4 Ų46.415%0.14727%0.265CS..SBendtrans-81.254.9177.6-26.40000112.3S740 D788S740-S784 WeakPolarHBondContact CB-OG 3.32Å; S740-S784 PolarHBondContact OG-OG 3.09Å; S740-S784 VanDerWaalsContact OG-OG 3.07Å; S784-D788 WeakPolarHBondContact CA-OD2 3.15Å; S784-D788 WeakPolarHBondContact CB-OD2 3.32Å; S784-D788 VanDerWaalsContact N-CB 3.34Å; S784-D788 PolarHBondContact N-OD2 3.21Å; S784-D788 PolarHBondContact OG-OD2 2.89Å
785G75.7Confident72.8Confident1 Ų148.5 Ų48.51%0.0128%0.28CS..SBendtrans93.3-175.2-178.100000113.8D770 C783 A787 D788 L789D770-G785 WeakPolarHBondContact O-CA 3.46Å; D770-G785 PolarHBondContact O-N 3.4Å; C783-G785 PolarHBondContact O-N 2.97Å; G785-A787 VanDerWaalsContact C-N 3.27Å; G785-A787 PolarHBondContact O-N 3Å; G785-A787 VanDerWaalsContact O-N 3.09Å; G785-D788 PolarHBondContact O-N 3.42Å; G785-L789 PolarHBondContact O-N 3.47Å; G785-L789 VanDerWaalsContact O-N 3.14Å
786R69Low73.1Confident78 Ų7852.9 Ų52.929%0.29430%0.302SS..Hα-helixtrans-58.7-28.3-164.7-63.5169.473.2174.1-2.6115.6A763 L764 S790 A1287 L1288A763-R786 WeakPolarHBondContact O-CD 3.4Å; A763-R786 VanDerWaalsContact O-CG 3.25Å; A763-R786 WeakPolarHBondContact O-CG 3.27Å; L764-R786 PolarHBondContact O-NH1 3.34Å; R786-S790 PolarHBondContact O-N 2.87Å; R786-S790 VanDerWaalsContact O-N 3.09Å; R786-S790 PolarHBondContact O-OG 3.33Å; R786-A1287 PolarHBondContact NH2-O 3.04Å; R786-L1288 HydrophobicContact CB-CD2 4.44Å
787A69.1Low73.4Confident66 Ų6654 Ų5455%0.54531%0.305SS..Hα-helixtrans-80.2-39.5-179.300000112.8G785 L789 S790 A791G785-A787 VanDerWaalsContact C-N 3.27Å; G785-A787 PolarHBondContact O-N 3Å; G785-A787 VanDerWaalsContact O-N 3.09Å; A787-L789 PolarHBondContact O-N 3.49Å; A787-S790 PolarHBondContact O-OG 3Å; A787-A791 VanDerWaalsContact O-CB 3.32Å; A787-A791 WeakPolarHBondContact O-CB 3.38Å; A787-A791 PolarHBondContact O-N 3.19Å
788D75.4Confident74.3Confident57 Ų5753.1 Ų53.131%0.30530%0.297SS..Hα-helixtrans-63.6-35.2170.7-72.827.3000110C783 S784 G785 H792C783-D788 HydrophobicContact CB-CB 3.7Å; S784-D788 WeakPolarHBondContact CA-OD2 3.15Å; S784-D788 WeakPolarHBondContact CB-OD2 3.32Å; S784-D788 VanDerWaalsContact N-CB 3.34Å; S784-D788 PolarHBondContact N-OD2 3.21Å; S784-D788 PolarHBondContact OG-OD2 2.89Å; G785-D788 PolarHBondContact O-N 3.42Å; D788-H792 VanDerWaalsContact O-CB 3.22Å; D788-H792 WeakPolarHBondContact O-CB 3.4Å; D788-H792 PolarHBondContact O-N 3.36Å
789L78.4Confident74.4Confident2 Ų248.4 Ų48.41%0.0128%0.275CS..Hα-helixtrans-70.9-43179.3-178.556.8000113.2V772 C783 G785 A787 H792 L793 L1284V772-L789 HydrophobicContact CB-CD2 4.43Å; V772-L789 HydrophobicContact CG1-CD2 3.8Å; C783-L789 HydrophobicContact CB-CB 3.85Å; C783-L789 VanDerWaalsContact SG-CA 3.56Å; G785-L789 PolarHBondContact O-N 3.47Å; G785-L789 VanDerWaalsContact O-N 3.14Å; A787-L789 PolarHBondContact O-N 3.49Å; L789-H792 PolarHBondContact O-N 3.07Å; L789-L793 HydrophobicContact CD1-CD1 4.13Å; L789-L793 HydrophobicContact CD1-CG 4.2Å; L789-L793 HydrophobicContact CG-CD1 4.18Å; L789-L793 WeakPolarHBondContact O-CB 3.48Å; L789-L793 VanDerWaalsContact O-CG 3.31Å; L789-L793 WeakPolarHBondContact O-CG 3.32Å; L789-L793 PolarHBondContact O-N 2.8Å; L789-L1284 HydrophobicContact CD2-CD1 3.85Å; L789-L1284 HydrophobicContact CD2-CD2 3.91Å; L789-L1284 HydrophobicContact CG-CD2 4.39Å
790S71.3Confident73.6Confident29 Ų2955.7 Ų55.720%0.20331%0.307CS..Hα-helixtrans-66.7-37.9173.359.80000112R786 A787 T794R786-S790 PolarHBondContact O-N 2.87Å; R786-S790 VanDerWaalsContact O-N 3.09Å; R786-S790 PolarHBondContact O-OG 3.33Å; A787-S790 PolarHBondContact O-OG 3Å; S790-T794 WeakPolarHBondContact O-CB 3.37Å; S790-T794 WeakPolarHBondContact O-CG2 3.25Å; S790-T794 PolarHBondContact O-N 2.89Å; S790-T794 PolarHBondContact O-OG1 3.03Å
791A72.7Confident72.6Confident51 Ų5153.5 Ų53.542%0.42129%0.291SS..Hα-helixtrans-63.5-44173.200000112.1A787 T794 S795A787-A791 VanDerWaalsContact O-CB 3.32Å; A787-A791 WeakPolarHBondContact O-CB 3.38Å; A787-A791 PolarHBondContact O-N 3.19Å; A791-T794 PolarHBondContact O-N 3.15Å; A791-T794 PolarHBondContact O-OG1 3.08Å; A791-S795 VanDerWaalsContact O-CB 3.31Å; A791-S795 WeakPolarHBondContact O-CB 3.4Å; A791-S795 PolarHBondContact O-N 2.83Å; A791-S795 PolarHBondContact O-OG 3.09Å
792H80.1Confident71.4Confident12 Ų1253.9 Ų53.96%0.05630%0.296CS..Hα-helixtrans-62.1-49.6176.3177.481.2000111.7C774 C779 Y781 D788 L789 T794 S795 I796 H797C774-H792 PolarHBondContact SG-CD2 2.83Å; C779-H792 VanDerWaalsContact SG-CE1 3.52Å; C779-H792 PolarHBondContact SG-NE2 2.79Å; Y781-H792 HydrophobicContact CD1-CB 4.12Å; Y781-H792 AromaticContact CD1-CE1 3.84Å; Y781-H792 AromaticContact CD1-CG 3.63Å; Y781-H792 AromaticContact CD1-ND1 3.16Å; Y781-H792 WeakPolarHBondContact CD1-ND1 3.4Å; Y781-H792 HydrophobicContact CE1-CB 4.3Å; Y781-H792 AromaticContact CE1-ND1 3.76Å; Y781-H792 AromaticContact CG-CE1 3.71Å; Y781-H792 AromaticContact CG-ND1 3.47Å; D788-H792 VanDerWaalsContact O-CB 3.22Å; D788-H792 WeakPolarHBondContact O-CB 3.4Å; D788-H792 PolarHBondContact O-N 3.36Å; L789-H792 PolarHBondContact O-N 3.07Å; H792-T794 VanDerWaalsContact C-N 3.34Å; H792-T794 PolarHBondContact O-N 3.21Å; H792-S795 PolarHBondContact O-N 3.04Å; H792-S795 PolarHBondContact O-OG 3.45Å; H792-I796 VanDerWaalsContact CE1-CG1 3.47Å; H792-I796 WeakPolarHBondContact CE1-CG1 3.41Å; H792-I796 WeakPolarHBondContact O-CB 3.39Å; H792-I796 PolarHBondContact O-N 3.25Å; H792-H797 AromaticContact CD2-CD2 3.73Å; H792-H797 AromaticContact CD2-NE2 3.83Å; H792-H797 AromaticContact NE2-CD2 3.33Å; H792-H797 PolarHBondContact NE2-CD2 3.27Å; H792-H797 VanDerWaalsContact NE2-CD2 3.33Å; H792-H797 AromaticContact NE2-NE2 3Å; H792-H797 PolarHBondContact NE2-NE2 2.95Å
793L77.6Confident69.7Low17 Ų1760.1 Ų60.19%0.08933%0.325CS..Iπ-helixtrans-58.4-45.3177.7-73.5168.3000111.5P775 V776 L789 S795 H797 F798 L1284 L1288P775-L793 HydrophobicContact CG-CD2 4.15Å; V776-L793 HydrophobicContact CG2-CD2 3.84Å; L789-L793 HydrophobicContact CD1-CD1 4.13Å; L789-L793 HydrophobicContact CD1-CG 4.2Å; L789-L793 HydrophobicContact CG-CD1 4.18Å; L789-L793 WeakPolarHBondContact O-CB 3.48Å; L789-L793 VanDerWaalsContact O-CG 3.31Å; L789-L793 WeakPolarHBondContact O-CG 3.32Å; L789-L793 PolarHBondContact O-N 2.8Å; L793-S795 VanDerWaalsContact C-N 3.31Å; L793-S795 PolarHBondContact O-N 3.34Å; L793-H797 PolarHBondContact O-N 3.27Å; L793-F798 HydrophobicContact CB-CD2 4.25Å; L793-F798 HydrophobicContact CD2-CE2 4.29Å; L793-F798 WeakPolarHBondContact O-CD2 3.46Å; L793-F798 PolarHBondContact O-N 2.75Å; L793-L1284 HydrophobicContact CD1-CD2 3.86Å; L793-L1288 HydrophobicContact CD1-CD1 3.93Å
794T72.6Confident67.6Low64 Ų6465.7 Ų65.739%0.39335%0.35SS..Iπ-helixtrans-77.6-7179.854.30000115.3S790 A791 H792 Q802S790-T794 WeakPolarHBondContact O-CB 3.37Å; S790-T794 WeakPolarHBondContact O-CG2 3.25Å; S790-T794 PolarHBondContact O-N 2.89Å; S790-T794 PolarHBondContact O-OG1 3.03Å; A791-T794 PolarHBondContact O-N 3.15Å; A791-T794 PolarHBondContact O-OG1 3.08Å; H792-T794 VanDerWaalsContact C-N 3.34Å; H792-T794 PolarHBondContact O-N 3.21Å; T794-Q802 VanDerWaalsContact O-CG 3.31Å; T794-Q802 WeakPolarHBondContact O-CG 3.41Å; T794-Q802 PolarHBondContact O-NE2 3.09Å
795S74.7Confident65.7Low55 Ų5572 Ų7239%0.38538%0.382SS..Iπ-helixtrans-109.6-30.1176.654.90000114.4A791 H792 L793A791-S795 VanDerWaalsContact O-CB 3.31Å; A791-S795 WeakPolarHBondContact O-CB 3.4Å; A791-S795 PolarHBondContact O-N 2.83Å; A791-S795 PolarHBondContact O-OG 3.09Å; H792-S795 PolarHBondContact O-N 3.04Å; H792-S795 PolarHBondContact O-OG 3.45Å; L793-S795 VanDerWaalsContact C-N 3.31Å; L793-S795 PolarHBondContact O-N 3.34Å
796I75.6Confident64Low104 Ų10474.9 Ų74.953%0.53340%0.399SS..Iπ-helixtrans-109.4-40.5-174.6-56.2-56000112.8H792H792-I796 VanDerWaalsContact CE1-CG1 3.47Å; H792-I796 WeakPolarHBondContact CE1-CG1 3.41Å; H792-I796 WeakPolarHBondContact O-CB 3.39Å; H792-I796 PolarHBondContact O-N 3.25Å
797H76.4Confident62.6Low54 Ų5477.6 Ų77.625%0.2541%0.409CS..Iπ-helixtrans-102.7-26.6-174.8-60.9-63.7000113.5C774 V776 C779 H792 L793C774-H797 PolarHBondContact SG-NE2 3.16Å; C774-H797 VanDerWaalsContact SG-NE2 3.38Å; V776-H797 HydrophobicContact CG2-CB 4.39Å; C779-H797 WeakPolarHBondContact CB-NE2 3.39Å; C779-H797 PolarHBondContact SG-NE2 2.88Å; H792-H797 AromaticContact CD2-CD2 3.73Å; H792-H797 AromaticContact CD2-NE2 3.83Å; H792-H797 AromaticContact NE2-CD2 3.33Å; H792-H797 PolarHBondContact NE2-CD2 3.27Å; H792-H797 VanDerWaalsContact NE2-CD2 3.33Å; H792-H797 AromaticContact NE2-NE2 3Å; H792-H797 PolarHBondContact NE2-NE2 2.95Å; L793-H797 PolarHBondContact O-N 3.27Å
798F71.3Confident61.4Low77 Ų7779.2 Ų79.234%0.33841%0.408SS..  trans-130.248.1178.9-55.2-62.8000112.4L793 E800 I801 I809L793-F798 HydrophobicContact CB-CD2 4.25Å; L793-F798 HydrophobicContact CD2-CE2 4.29Å; L793-F798 WeakPolarHBondContact O-CD2 3.46Å; L793-F798 PolarHBondContact O-N 2.75Å; F798-E800 PolarHBondContact O-N 3.17Å; F798-I801 HydrophobicContact CB-CB 4.21Å; F798-I801 HydrophobicContact CB-CD1 3.83Å; F798-I801 HydrophobicContact CB-CG1 3.95Å; F798-I801 HydrophobicContact CD1-CD1 3.98Å; F798-I801 HydrophobicContact CG-CD1 4.11Å; F798-I801 PolarHBondContact O-N 2.79Å; F798-I809 HydrophobicContact CZ-CD1 4.46Å
799P58.6Low60.3Low71 Ų7179 Ų7946%0.46141%0.406SS..G310 helixtrans-59.6-34.1-175.125.5-34.8000113.1I801 Q802P799-I801 PolarHBondContact O-N 3.31Å; P799-Q802 VanDerWaalsContact O-CG 3.28Å; P799-Q802 WeakPolarHBondContact O-CG 3.37Å; P799-Q802 PolarHBondContact O-N 3.44Å
800E58.4Low59.1Low178 Ų17880.5 Ų80.583%0.83241%0.413SS*.G310 helixtrans-66-22.5178.2-166.7170.5-160.900113.2F798 Q802F798-E800 PolarHBondContact O-N 3.17Å; E800-Q802 VanDerWaalsContact C-N 3.26Å; E800-Q802 PolarHBondContact O-N 3.02Å
801I55Low59.1Low60 Ų6080.6 Ų80.631%0.30842%0.416SS..G310 helixtrans-81.4-3.9-176.5-50.5-169000112F798 P799 H803 Q804F798-I801 HydrophobicContact CB-CB 4.21Å; F798-I801 HydrophobicContact CB-CD1 3.83Å; F798-I801 HydrophobicContact CB-CG1 3.95Å; F798-I801 HydrophobicContact CD1-CD1 3.98Å; F798-I801 HydrophobicContact CG-CD1 4.11Å; F798-I801 PolarHBondContact O-N 2.79Å; P799-I801 PolarHBondContact O-N 3.31Å; I801-H803 PolarHBondContact O-N 3.39Å; I801-Q804 PolarHBondContact O-N 3.19Å
802Q48.3Very low59.2Low109 Ų10978.8 Ų78.851%0.50940%0.4SS..G310 helixtrans-59.1-15-179.6-71.7179.226.400115T794 P799 E800T794-Q802 VanDerWaalsContact O-CG 3.31Å; T794-Q802 WeakPolarHBondContact O-CG 3.41Å; T794-Q802 PolarHBondContact O-NE2 3.09Å; P799-Q802 VanDerWaalsContact O-CG 3.28Å; P799-Q802 WeakPolarHBondContact O-CG 3.37Å; P799-Q802 PolarHBondContact O-N 3.44Å; E800-Q802 VanDerWaalsContact C-N 3.26Å; E800-Q802 PolarHBondContact O-N 3.02Å
803H45Very low58.7Low157 Ų15781.7 Ų81.773%0.72742%0.419SS*.G310 helixtrans-120.8-0.2-176.6-60.6-33.5000115.6I801I801-H803 PolarHBondContact O-N 3.39Å
804Q37.5Very low58.3Low116 Ų11682.8 Ų82.854%0.54243%0.425SS..SBendtrans-111151.2175.9-75.5-170.2-9.400113I801 V806I801-Q804 PolarHBondContact O-N 3.19Å; Q804-V806 PolarHBondContact O-N 3.31Å
805L36.9Very low57.5Low154 Ų15486.2 Ų86.281%0.80644%0.435SS*.  trans-71.6108.1173.4-78.9154.4000109.5R807L805-R807 PolarHBondContact O-N 2.97Å
806V39.2Very low56.7Low62 Ų6290.1 Ų90.138%0.37645%0.451SS..  trans40.872146.6-164.90000114Q804 L808 I1289 V1293Q804-V806 PolarHBondContact O-N 3.31Å; V806-L808 PolarHBondContact O-N 3.35Å; V806-I1289 HydrophobicContact CG1-CG1 4.49Å; V806-I1289 HydrophobicContact CG1-CG2 3.87Å; V806-V1293 HydrophobicContact CB-CG2 4.47Å; V806-V1293 HydrophobicContact CG1-CG2 3.8Å; V806-V1293 HydrophobicContact CG2-CG2 3.94Å
807R40.6Very low56.4Low135 Ų13585.6 Ų85.651%0.50943%0.429SS..  trans-63.5130.7164.3-70.1-166.2-177.4-155.63.6109.1L805 I809L805-R807 PolarHBondContact O-N 2.97Å; R807-I809 PolarHBondContact O-N 3.36Å
808L44.7Very low55.6Low100 Ų10085.2 Ų85.252%0.52443%0.427SS..  trans-63.2121.2164.2-72.1164.2000107.3V806 F810V806-L808 PolarHBondContact O-N 3.35Å; L808-F810 HydrophobicContact CB-CD2 4.11Å; L808-F810 HydrophobicContact CB-CE1 4.43Å; L808-F810 HydrophobicContact CB-CE2 3.64Å; L808-F810 HydrophobicContact CB-CZ 3.82Å; L808-F810 HydrophobicContact CD1-CE1 4.49Å; L808-F810 HydrophobicContact CD1-CZ 4.02Å; L808-F810 WeakPolarHBondContact O-CD2 3.42Å; L808-F810 WeakPolarHBondContact O-CE2 3.33Å
809I50.7Low55Low51 Ų5184.3 Ų84.326%0.26243%0.425SS..  trans-88109.5169.1-64.1173.1000105.6F798 R807 A811 I820 T1285F798-I809 HydrophobicContact CZ-CD1 4.46Å; R807-I809 PolarHBondContact O-N 3.36Å; I809-A811 PolarHBondContact O-N 3.24Å; I809-I820 HydrophobicContact CG2-CG2 3.27Å; I809-T1285 HydrophobicContact CB-CG2 3.73Å; I809-T1285 HydrophobicContact CG2-CG2 4.4Å
810F54.1Low55.4Low35 Ų3583.6 Ų83.615%0.15442%0.417CS..EExtended strand (participates in β ladder)trans-87.3110.9-173.2-67-97.3000109.7L808 C821 E824 F827L808-F810 HydrophobicContact CB-CD2 4.11Å; L808-F810 HydrophobicContact CB-CE1 4.43Å; L808-F810 HydrophobicContact CB-CE2 3.64Å; L808-F810 HydrophobicContact CB-CZ 3.82Å; L808-F810 HydrophobicContact CD1-CE1 4.49Å; L808-F810 HydrophobicContact CD1-CZ 4.02Å; L808-F810 WeakPolarHBondContact O-CD2 3.42Å; L808-F810 WeakPolarHBondContact O-CE2 3.33Å; F810-C821 HydrophobicContact CB-CB 4.2Å; F810-C821 PolarHBondContact N-O 2.92Å; F810-C821 PolarHBondContact O-N 3.16Å; F810-E824 HydrophobicContact CE1-CB 4.18Å; F810-E824 HydrophobicContact CE1-CG 4.07Å; F810-E824 HydrophobicContact CE2-CB 3.98Å; F810-E824 HydrophobicContact CZ-CB 3.63Å; F810-E824 HydrophobicContact CZ-CG 3.94Å; F810-F827 HydrophobicContact CB-CB 3.54Å; F810-F827 HydrophobicContact CB-CD2 3.59Å; F810-F827 HydrophobicContact CB-CG 3.75Å; F810-F827 HydrophobicContact CD1-CB 4.14Å; F810-F827 HydrophobicContact CD1-CD1 4.47Å; F810-F827 HydrophobicContact CD1-CD2 4.48Å; F810-F827 HydrophobicContact CD1-CG 4.1Å; F810-F827 HydrophobicContact CG-CB 3.93Å; F810-F827 HydrophobicContact CG-CD2 4.48Å; F810-F827 HydrophobicContact CG-CG 4.24Å
811A70.7Confident56.2Low31 Ų3175.5 Ų75.526%0.25638%0.38SS..EExtended strand (participates in β ladder)trans-101132.3177.300000110.5I809I809-A811 PolarHBondContact O-N 3.24Å
812C76Confident56.8Low13 Ų1376.4 Ų76.49%0.08839%0.392CS..  trans-62129.6175.9-170.40000110.6L814 C817 I819 H830C812-L814 PolarHBondContact O-N 3.46Å; C812-C817 HydrophobicContact CB-CB 4.14Å; C812-C817 VanDerWaalsContact CB-SG 3.51Å; C812-C817 VanDerWaalsContact SG-SG 3.69Å; C812-I819 PolarHBondContact N-O 2.77Å; C812-H830 VanDerWaalsContact CB-NE2 3.31Å; C812-H830 WeakPolarHBondContact CB-NE2 3.49Å; C812-H830 PolarHBondContact SG-NE2 3.22Å; C812-H830 VanDerWaalsContact SG-NE2 3.37Å
813P67.6Low57.6Low72 Ų7274.2 Ų74.247%0.46838%0.383SS..  trans-72.6-11.4-177.229.4-35.9000113.6F831P813-F831 HydrophobicContact CG-CD2 4.24Å; P813-F831 HydrophobicContact CG-CE2 3.71Å; P813-F831 HydrophobicContact CG-CZ 4.42Å
814L69.7Low58.7Low41 Ų4171 Ų7122%0.21537%0.368CS..SBendtrans-77.1125.4-176.9-65.9166.6000111.5C812 D816 C817 F831 H834C812-L814 PolarHBondContact O-N 3.46Å; L814-D816 VanDerWaalsContact C-N 3.29Å; L814-D816 PolarHBondContact O-N 2.92Å; L814-D816 VanDerWaalsContact O-N 3.16Å; L814-C817 HydrophobicContact CB-CB 4.03Å; L814-C817 WeakPolarHBondContact O-CB 3.34Å; L814-C817 PolarHBondContact O-N 2.85Å; L814-C817 VanDerWaalsContact O-N 3.09Å; L814-F831 HydrophobicContact CD1-CE2 4.47Å; L814-H834 HydrophobicContact CD1-CB 3.3Å; L814-H834 VanDerWaalsContact CD1-CG 3.44Å
815K55.5Low60.3Low136 Ų13668.9 Ų68.959%0.59137%0.371SS*.THydrogen-bonded Turntrans-54.5-38.7-167.9-139.8175.2-167.4177.20114.3Q818 E1104K815-Q818 PolarHBondContact O-NE2 2.87Å; K815-E1104 IonicContact NZ-OE1 2.85Å; K815-E1104 PolarHBondContact NZ-OE1 3.39Å; K815-E1104 IonicContact NZ-OE2 3.16Å; K815-E1104 PolarHBondContact NZ-OE2 3.38Å
816D58Low61.9Low137 Ų13763.3 Ų63.373%0.73335%0.345SS*.THydrogen-bonded Turntrans-88.5-22.7-177-60.2-51000113.7L814 Q818L814-D816 VanDerWaalsContact C-N 3.29Å; L814-D816 PolarHBondContact O-N 2.92Å; L814-D816 VanDerWaalsContact O-N 3.16Å; D816-Q818 PolarHBondContact O-NE2 3.48Å
817C69.8Low63.8Low9 Ų960.8 Ų60.86%0.06133%0.329CS..THydrogen-bonded Turntrans-62.7-57.4-174.6167.10000112C812 L814 I819 H830 H834 R1278C812-C817 HydrophobicContact CB-CB 4.14Å; C812-C817 VanDerWaalsContact CB-SG 3.51Å; C812-C817 VanDerWaalsContact SG-SG 3.69Å; L814-C817 HydrophobicContact CB-CB 4.03Å; L814-C817 WeakPolarHBondContact O-CB 3.34Å; L814-C817 PolarHBondContact O-N 2.85Å; L814-C817 VanDerWaalsContact O-N 3.09Å; C817-I819 PolarHBondContact O-N 3.03Å; C817-I819 VanDerWaalsContact SG-CB 3.59Å; C817-I819 PolarHBondContact SG-N 3.15Å; C817-H830 PolarHBondContact SG-CE1 3.26Å; C817-H830 PolarHBondContact SG-NE2 3.18Å; C817-H834 WeakPolarHBondContact CB-NE2 3.35Å; C817-H834 PolarHBondContact SG-NE2 3.18Å; C817-R1278 PolarHBondContact O-NH1 3.25Å
818Q60.6Low65.2Low45 Ų4555.5 Ų55.521%0.2131%0.31CS..  trans58.214.2178.8-60143.738.400115.3K815 D816 R1278 R1279K815-Q818 PolarHBondContact O-NE2 2.87Å; D816-Q818 PolarHBondContact O-NE2 3.48Å; Q818-R1278 HydrophobicContact CB-CB 3.82Å; Q818-R1278 HydrophobicContact CB-CG 3.91Å; Q818-R1278 HydrophobicContact CG-CB 4.38Å; Q818-R1279 HydrophobicContact CG-CG 4.05Å
819I59Low66.6Low59 Ų5954.1 Ų54.130%0.30331%0.313SS..  trans-82.8143.9175.1-68.3168.7000110.8C812 C817C812-I819 PolarHBondContact N-O 2.77Å; C817-I819 PolarHBondContact O-N 3.03Å; C817-I819 VanDerWaalsContact SG-CB 3.59Å; C817-I819 PolarHBondContact SG-N 3.15Å
820I65.8Low67.9Low56 Ų5653.3 Ų53.329%0.28731%0.308SS..EExtended strand (participates in β ladder)trans-120.9131.1-179.5-58.7160.9000107.2I809 I1281I809-I820 HydrophobicContact CG2-CG2 3.27Å; I820-I1281 HydrophobicContact CD1-CB 3.67Å; I820-I1281 HydrophobicContact CD1-CD1 3.69Å; I820-I1281 HydrophobicContact CD1-CG1 4.21Å; I820-I1281 HydrophobicContact CD1-CG2 3.82Å
821C75Confident68.9Low8 Ų852 Ų525%0.05430%0.302CS..EExtended strand (participates in β ladder)trans-110.6140.8-173.9-61.50000110.8F810 D823 S826 F827F810-C821 HydrophobicContact CB-CB 4.2Å; F810-C821 PolarHBondContact N-O 2.92Å; F810-C821 PolarHBondContact O-N 3.16Å; C821-D823 VanDerWaalsContact C-N 3.3Å; C821-D823 PolarHBondContact O-N 3.45Å; C821-S826 WeakPolarHBondContact CB-OG 3.44Å; C821-F827 HydrophobicContact CB-CB 3.78Å; C821-F827 VanDerWaalsContact CB-N 3.29Å; C821-F827 VanDerWaalsContact SG-CA 3.54Å
822S67.5Low69Low79 Ų7951.3 Ų51.355%0.55230%0.295SS*.SBendtrans-76.8-17.2-17246.50000114.1S826S822-S826 PolarHBondContact N-OG 2.86Å; S822-S826 PolarHBondContact OG-OG 3.12Å
823D64.7Low69Low62 Ų6253 Ų5333%0.33232%0.315SS..SBendtrans-162.5173.4-172.646.464000109.7C821 A825 S826 F827C821-D823 VanDerWaalsContact C-N 3.3Å; C821-D823 PolarHBondContact O-N 3.45Å; D823-A825 VanDerWaalsContact C-N 3.35Å; D823-A825 PolarHBondContact OD1-N 3.35Å; D823-S826 VanDerWaalsContact CG-OG 3.25Å; D823-S826 PolarHBondContact N-OG 3.09Å; D823-S826 PolarHBondContact O-OG 3.08Å; D823-S826 VanDerWaalsContact O-OG 3.05Å; D823-S826 VanDerWaalsContact OD1-CB 3.26Å; D823-S826 WeakPolarHBondContact OD1-CB 3.45Å; D823-S826 PolarHBondContact OD1-N 3.14Å; D823-S826 PolarHBondContact OD1-OG 2.94Å; D823-F827 PolarHBondContact O-N 3.25Å; D823-F827 VanDerWaalsContact O-N 3.12Å
824E68.3Low69.2Low89 Ų8952.7 Ų52.742%0.41631%0.307SS..Hα-helixtrans-67.4-34.4-177.3-166.2163.9-162.900112.1F810 F827 Q828 L1086F810-E824 HydrophobicContact CE1-CB 4.18Å; F810-E824 HydrophobicContact CE1-CG 4.07Å; F810-E824 HydrophobicContact CE2-CB 3.98Å; F810-E824 HydrophobicContact CZ-CB 3.63Å; F810-E824 HydrophobicContact CZ-CG 3.94Å; E824-F827 PolarHBondContact O-N 3.13Å; E824-Q828 VanDerWaalsContact O-CB 3.27Å; E824-Q828 WeakPolarHBondContact O-CB 3.49Å; E824-Q828 PolarHBondContact O-N 3.35Å; E824-L1086 HydrophobicContact CG-CD1 4.28Å
825A70.9Confident69.1Low72 Ų7251.7 Ų51.760%0.59530%0.302SS*.Hα-helixtrans-70.4-42.5-179.600000112.7D823 Q828 A829D823-A825 VanDerWaalsContact C-N 3.35Å; D823-A825 PolarHBondContact OD1-N 3.35Å; A825-Q828 PolarHBondContact O-N 2.76Å; A825-A829 PolarHBondContact O-N 3.13Å
826S72.2Confident69.1Low38 Ų3850.9 Ų50.927%0.26630%0.3SS..Hα-helixtrans-66.4-3917351.60000111.5C821 S822 D823 Q828 H830C821-S826 WeakPolarHBondContact CB-OG 3.44Å; S822-S826 PolarHBondContact N-OG 2.86Å; S822-S826 PolarHBondContact OG-OG 3.12Å; D823-S826 VanDerWaalsContact CG-OG 3.25Å; D823-S826 PolarHBondContact N-OG 3.09Å; D823-S826 PolarHBondContact O-OG 3.08Å; D823-S826 VanDerWaalsContact O-OG 3.05Å; D823-S826 VanDerWaalsContact OD1-CB 3.26Å; D823-S826 WeakPolarHBondContact OD1-CB 3.45Å; D823-S826 PolarHBondContact OD1-N 3.14Å; D823-S826 PolarHBondContact OD1-OG 2.94Å; S826-Q828 VanDerWaalsContact C-N 3.3Å; S826-Q828 PolarHBondContact O-N 3.36Å; S826-H830 WeakPolarHBondContact O-CB 3.25Å; S826-H830 PolarHBondContact O-N 2.6Å; S826-H830 VanDerWaalsContact O-N 3.07Å
827F78.7Confident68.8Low9 Ų947.6 Ų47.64%0.03930%0.299CS..Hα-helixtrans-60.5-43.6170.6176.6-90.4000111.2F810 C821 D823 E824 H830 F831 L1086F810-F827 HydrophobicContact CB-CB 3.54Å; F810-F827 HydrophobicContact CB-CD2 3.59Å; F810-F827 HydrophobicContact CB-CG 3.75Å; F810-F827 HydrophobicContact CD1-CB 4.14Å; F810-F827 HydrophobicContact CD1-CD1 4.47Å; F810-F827 HydrophobicContact CD1-CD2 4.48Å; F810-F827 HydrophobicContact CD1-CG 4.1Å; F810-F827 HydrophobicContact CG-CB 3.93Å; F810-F827 HydrophobicContact CG-CD2 4.48Å; F810-F827 HydrophobicContact CG-CG 4.24Å; C821-F827 HydrophobicContact CB-CB 3.78Å; C821-F827 VanDerWaalsContact CB-N 3.29Å; C821-F827 VanDerWaalsContact SG-CA 3.54Å; D823-F827 PolarHBondContact O-N 3.25Å; D823-F827 VanDerWaalsContact O-N 3.12Å; E824-F827 PolarHBondContact O-N 3.13Å; F827-H830 PolarHBondContact O-N 3.43Å; F827-F831 HydrophobicContact CD1-CB 4.32Å; F827-F831 HydrophobicContact CE1-CB 3.85Å; F827-F831 HydrophobicContact CE1-CD1 4.23Å; F827-F831 HydrophobicContact CE1-CG 4.1Å; F827-F831 HydrophobicContact CE2-CB 4.48Å; F827-F831 HydrophobicContact CZ-CB 3.96Å; F827-F831 HydrophobicContact CZ-CD1 4.43Å; F827-F831 HydrophobicContact CZ-CD2 4.37Å; F827-F831 HydrophobicContact CZ-CG 4.01Å; F827-F831 VanDerWaalsContact O-CB 3.31Å; F827-F831 WeakPolarHBondContact O-CB 3.32Å; F827-F831 PolarHBondContact O-N 3.16Å; F827-L1086 HydrophobicContact CD1-CD1 3.52Å; F827-L1086 HydrophobicContact CD1-CD2 4.33Å; F827-L1086 HydrophobicContact CE1-CD1 3.62Å; F827-L1086 HydrophobicContact CE1-CD2 3.67Å; F827-L1086 HydrophobicContact CE1-CG 4.29Å; F827-L1086 HydrophobicContact CZ-CD2 4.35Å
828Q70.4Confident68Low23 Ų2352 Ų5211%0.10732%0.318CS..Hα-helixtrans-65.8-53.9-175-167.754.866.800111.5E824 A825 S826 H830 F831 T832 F847 L1086E824-Q828 VanDerWaalsContact O-CB 3.27Å; E824-Q828 WeakPolarHBondContact O-CB 3.49Å; E824-Q828 PolarHBondContact O-N 3.35Å; A825-Q828 PolarHBondContact O-N 2.76Å; S826-Q828 VanDerWaalsContact C-N 3.3Å; S826-Q828 PolarHBondContact O-N 3.36Å; Q828-H830 PolarHBondContact O-N 2.76Å; Q828-F831 PolarHBondContact O-N 3.47Å; Q828-T832 PolarHBondContact NE2-OG1 3.02Å; Q828-T832 WeakPolarHBondContact O-CB 3.35Å; Q828-T832 PolarHBondContact O-N 2.92Å; Q828-T832 PolarHBondContact O-OG1 3.16Å; Q828-F847 HydrophobicContact CG-CB 3.87Å; Q828-F847 HydrophobicContact CG-CG 4.35Å; Q828-F847 VanDerWaalsContact NE2-CD2 3.28Å; Q828-L1086 VanDerWaalsContact OE1-CD1 3.26Å
829A72.3Confident67.2Low72 Ų7252.5 Ų52.560%0.59532%0.322SS*.Hα-helixtrans-56-37.3175.900000111.9A825 G833A825-A829 PolarHBondContact O-N 3.13Å; A829-G833 PolarHBondContact O-N 3.03Å
830H78.6Confident66.1Low33 Ų3356.4 Ų56.415%0.15335%0.351CS..Hα-helixtrans-72.5-46.2179.8172.357.1000113.8C812 C817 S826 F827 Q828 G833 H834C812-H830 VanDerWaalsContact CB-NE2 3.31Å; C812-H830 WeakPolarHBondContact CB-NE2 3.49Å; C812-H830 PolarHBondContact SG-NE2 3.22Å; C812-H830 VanDerWaalsContact SG-NE2 3.37Å; C817-H830 PolarHBondContact SG-CE1 3.26Å; C817-H830 PolarHBondContact SG-NE2 3.18Å; S826-H830 WeakPolarHBondContact O-CB 3.25Å; S826-H830 PolarHBondContact O-N 2.6Å; S826-H830 VanDerWaalsContact O-N 3.07Å; F827-H830 PolarHBondContact O-N 3.43Å; Q828-H830 PolarHBondContact O-N 2.76Å; H830-G833 PolarHBondContact O-N 2.94Å; H830-H834 AromaticContact CE1-CD2 3.4Å; H830-H834 PolarHBondContact CE1-CD2 3.21Å; H830-H834 AromaticContact CE1-NE2 3.18Å; H830-H834 PolarHBondContact CE1-NE2 2.93Å; H830-H834 AromaticContact NE2-CD2 3.56Å; H830-H834 AromaticContact NE2-NE2 3.59Å; H830-H834 PolarHBondContact O-N 3.48Å
831F76.1Confident65Low7 Ų755.9 Ų55.93%0.03136%0.36CS..Hα-helixtrans-70.8-41.7178.5-176.3-115.9000111.1P813 L814 F827 Q828 G833 H834 L835 F847 L1090P813-F831 HydrophobicContact CG-CD2 4.24Å; P813-F831 HydrophobicContact CG-CE2 3.71Å; P813-F831 HydrophobicContact CG-CZ 4.42Å; L814-F831 HydrophobicContact CD1-CE2 4.47Å; F827-F831 HydrophobicContact CD1-CB 4.32Å; F827-F831 HydrophobicContact CE1-CB 3.85Å; F827-F831 HydrophobicContact CE1-CD1 4.23Å; F827-F831 HydrophobicContact CE1-CG 4.1Å; F827-F831 HydrophobicContact CE2-CB 4.48Å; F827-F831 HydrophobicContact CZ-CB 3.96Å; F827-F831 HydrophobicContact CZ-CD1 4.43Å; F827-F831 HydrophobicContact CZ-CD2 4.37Å; F827-F831 HydrophobicContact CZ-CG 4.01Å; F827-F831 VanDerWaalsContact O-CB 3.31Å; F827-F831 WeakPolarHBondContact O-CB 3.32Å; F827-F831 PolarHBondContact O-N 3.16Å; Q828-F831 PolarHBondContact O-N 3.47Å; F831-G833 PolarHBondContact O-N 2.86Å; F831-H834 WeakPolarHBondContact O-CB 3.32Å; F831-H834 PolarHBondContact O-N 3.24Å; F831-L835 HydrophobicContact CD1-CD1 3.99Å; F831-L835 HydrophobicContact CE1-CD1 3.83Å; F831-L835 HydrophobicContact CE1-CD2 4.47Å; F831-L835 HydrophobicContact CE1-CG 4.35Å; F831-L835 HydrophobicContact CZ-CD1 4.47Å; F831-L835 HydrophobicContact CZ-CD2 4.33Å; F831-L835 PolarHBondContact O-N 3.33Å; F831-L835 VanDerWaalsContact O-N 3.11Å; F831-F847 HydrophobicContact CD1-CE2 4.48Å; F831-F847 HydrophobicContact CD1-CZ 4.28Å; F831-F847 HydrophobicContact CE1-CE2 4.48Å; F831-F847 HydrophobicContact CE1-CZ 4.16Å; F831-L1090 HydrophobicContact CE1-CD2 4.4Å; F831-L1090 HydrophobicContact CZ-CD2 4.5Å
832T72Confident63.6Low17 Ų1760.3 Ų60.310%0.10438%0.382CS..Hα-helixtrans-53.1-41.5167.3-69.90000111.4Q828 H834 L835 H836 T844Q828-T832 PolarHBondContact NE2-OG1 3.02Å; Q828-T832 WeakPolarHBondContact O-CB 3.35Å; Q828-T832 PolarHBondContact O-N 2.92Å; Q828-T832 PolarHBondContact O-OG1 3.16Å; T832-H834 PolarHBondContact O-N 3.35Å; T832-L835 PolarHBondContact O-N 3.12Å; T832-L835 VanDerWaalsContact O-N 3.11Å; T832-H836 VanDerWaalsContact CG2-CE1 3.5Å; T832-H836 WeakPolarHBondContact CG2-CE1 3.44Å; T832-H836 PolarHBondContact O-N 3.34Å; T832-H836 PolarHBondContact O-ND1 2.83Å; T832-T844 HydrophobicContact CG2-CG2 3.56Å
833G76.2Confident62.8Low48 Ų4859 Ų5950%0.49537%0.369SS..Hα-helixtrans-63.8-15.817500000115.5A829 H830 F831A829-G833 PolarHBondContact O-N 3.03Å; H830-G833 PolarHBondContact O-N 2.94Å; F831-G833 PolarHBondContact O-N 2.86Å
834H71.9Confident61.9Low67 Ų6757.6 Ų57.631%0.3136%0.363SS..Hα-helixtrans-95.3-25.3170-79.3-70.6000113.9L814 C817 H830 F831 T832 H836L814-H834 HydrophobicContact CD1-CB 3.3Å; L814-H834 VanDerWaalsContact CD1-CG 3.44Å; C817-H834 WeakPolarHBondContact CB-NE2 3.35Å; C817-H834 PolarHBondContact SG-NE2 3.18Å; H830-H834 AromaticContact CE1-CD2 3.4Å; H830-H834 PolarHBondContact CE1-CD2 3.21Å; H830-H834 AromaticContact CE1-NE2 3.18Å; H830-H834 PolarHBondContact CE1-NE2 2.93Å; H830-H834 AromaticContact NE2-CD2 3.56Å; H830-H834 AromaticContact NE2-NE2 3.59Å; H830-H834 PolarHBondContact O-N 3.48Å; F831-H834 WeakPolarHBondContact O-CB 3.32Å; F831-H834 PolarHBondContact O-N 3.24Å; T832-H834 PolarHBondContact O-N 3.35Å; H834-H836 VanDerWaalsContact C-N 3.32Å
835L66.8Low60.7Low19 Ų1961.2 Ų61.210%0.09938%0.38CS..Hα-helixtrans-71.5-32.5172.9-63.6170.1000110.8F831 T832 G837 H838 L839 L843 F847F831-L835 HydrophobicContact CD1-CD1 3.99Å; F831-L835 HydrophobicContact CE1-CD1 3.83Å; F831-L835 HydrophobicContact CE1-CD2 4.47Å; F831-L835 HydrophobicContact CE1-CG 4.35Å; F831-L835 HydrophobicContact CZ-CD1 4.47Å; F831-L835 HydrophobicContact CZ-CD2 4.33Å; F831-L835 PolarHBondContact O-N 3.33Å; F831-L835 VanDerWaalsContact O-N 3.11Å; T832-L835 PolarHBondContact O-N 3.12Å; T832-L835 VanDerWaalsContact O-N 3.11Å; L835-G837 PolarHBondContact O-N 3.25Å; L835-H838 PolarHBondContact O-N 2.87Å; L835-L839 HydrophobicContact CD2-CD1 4.38Å; L835-L843 HydrophobicContact CD1-CB 4.26Å; L835-L843 HydrophobicContact CD1-CD1 4.12Å; L835-L843 HydrophobicContact CD2-CD1 4.39Å; L835-F847 HydrophobicContact CD1-CE2 3.81Å
836H56.8Low59.6Low119 Ų11962.7 Ų62.755%0.55138%0.377SS*.THydrogen-bonded Turntrans-59.891.4169.4-80.769.5000111.6T832 H834T832-H836 VanDerWaalsContact CG2-CE1 3.5Å; T832-H836 WeakPolarHBondContact CG2-CE1 3.44Å; T832-H836 PolarHBondContact O-N 3.34Å; T832-H836 PolarHBondContact O-ND1 2.83Å; H834-H836 VanDerWaalsContact C-N 3.32Å
837G52.2Low58.1Low69 Ų6962 Ų6271%0.71137%0.369SS*.THydrogen-bonded Turntrans126.2-3.4176.900000115.5L835L835-G837 PolarHBondContact O-N 3.25Å
838H51.3Low56.2Low101 Ų10165.2 Ų65.247%0.46839%0.387SS..THydrogen-bonded Turntrans-126-2.8179.9-78-6.5000115.8L835 R1106L835-H838 PolarHBondContact O-N 2.87Å; H838-R1106 PolarHBondContact CE1-NH1 2.95Å; H838-R1106 PolarHBondContact CE1-NH2 2.83Å; H838-R1106 VanDerWaalsContact CE1-NH2 3.35Å; H838-R1106 PolarHBondContact NE2-NH1 3.02Å; H838-R1106 PolarHBondContact NE2-NH2 2.94Å
839L44.7Very low54.6Low56 Ų5669.9 Ų69.929%0.29342%0.42SS..SBendtrans-134.7142.8172-70.9171.8000111.5L835 G841 L843 I1097L835-L839 HydrophobicContact CD2-CD1 4.38Å; L839-G841 PolarHBondContact O-N 3.35Å; L839-L843 HydrophobicContact CD1-CD1 3.57Å; L839-L843 HydrophobicContact CD1-CG 4.39Å; L839-I1097 HydrophobicContact CD2-CG2 4.25Å
840P35.8Very low52.9Low141 Ų14171 Ų7192%0.91642%0.423SS*.SBendtrans-81.467.1172.835.1-34.8000110.4
841G42.7Very low50.7Low45 Ų4572.4 Ų72.446%0.46444%0.437SS..SBendtrans174.8135.117900000111.3L839 L843L839-G841 PolarHBondContact O-N 3.35Å; G841-L843 PolarHBondContact O-N 2.91Å; G841-L843 VanDerWaalsContact O-N 3.14Å
842D44.7Very low48.6Very low100 Ų10079 Ų7954%0.53547%0.471SS..  trans-8294-178.6-166.6-17.3000110.6T844D842-T844 PolarHBondContact O-N 2.87Å; D842-T844 VanDerWaalsContact O-N 3.08Å; D842-T844 VanDerWaalsContact OD1-CB 3.25Å; D842-T844 WeakPolarHBondContact OD1-CB 3.41Å; D842-T844 WeakPolarHBondContact OD1-CG2 3.17Å; D842-T844 PolarHBondContact OD1-N 3.48Å; D842-T844 PolarHBondContact OD1-OG1 3.21Å; D842-T844 PolarHBondContact OD2-OG1 3.09Å
843L51.1Low46.5Very low51 Ų5184.6 Ų84.627%0.26751%0.505SS..G310 helixtrans-70.44.1179.7-59.4-171.1000113.8L835 L839 G841 E845 L846 F847L835-L843 HydrophobicContact CD1-CB 4.26Å; L835-L843 HydrophobicContact CD1-CD1 4.12Å; L835-L843 HydrophobicContact CD2-CD1 4.39Å; L839-L843 HydrophobicContact CD1-CD1 3.57Å; L839-L843 HydrophobicContact CD1-CG 4.39Å; G841-L843 PolarHBondContact O-N 2.91Å; G841-L843 VanDerWaalsContact O-N 3.14Å; L843-E845 PolarHBondContact O-N 3.14Å; L843-L846 HydrophobicContact CB-CD1 4.45Å; L843-L846 HydrophobicContact CD2-CD1 3.91Å; L843-L846 HydrophobicContact CD2-CG 4.5Å; L843-L846 PolarHBondContact O-N 3.44Å; L843-L846 VanDerWaalsContact O-N 3.11Å; L843-F847 WeakPolarHBondContact O-CD2 3.32Å
844T45.3Very low44.3Very low34 Ų3488.1 Ų88.121%0.20952%0.517CS..G310 helixtrans-56.1-29.4172.651.30000113.1T832 D842 L846 F847 N848T832-T844 HydrophobicContact CG2-CG2 3.56Å; D842-T844 PolarHBondContact O-N 2.87Å; D842-T844 VanDerWaalsContact O-N 3.08Å; D842-T844 VanDerWaalsContact OD1-CB 3.25Å; D842-T844 WeakPolarHBondContact OD1-CB 3.41Å; D842-T844 WeakPolarHBondContact OD1-CG2 3.17Å; D842-T844 PolarHBondContact OD1-N 3.48Å; D842-T844 PolarHBondContact OD1-OG1 3.21Å; D842-T844 PolarHBondContact OD2-OG1 3.09Å; T844-L846 VanDerWaalsContact C-N 3.34Å; T844-L846 PolarHBondContact O-N 3.38Å; T844-F847 CarbonylContact O-C 3.57Å; T844-F847 PolarHBondContact O-N 3.41Å; T844-F847 VanDerWaalsContact O-N 3.14Å; T844-N848 PolarHBondContact O-N 2.99Å; T844-N848 VanDerWaalsContact O-N 3.09Å; T844-N848 PolarHBondContact O-ND2 3.27Å
845E44.8Very low42.3Very low164 Ų16491.3 Ų91.377%0.76654%0.542SS*.G310 helixtrans-67.6-29.6177-63.8-159.9155.800113.4L843 F847L843-E845 PolarHBondContact O-N 3.14Å; E845-F847 PolarHBondContact O-N 3.37Å
846L47.4Very low40.5Very low103 Ų10398.7 Ų98.754%0.53958%0.58SS.*G310 helixtrans-69.6-9.2173.7-63.6-176.1000113.3L843 T844L843-L846 HydrophobicContact CB-CD1 4.45Å; L843-L846 HydrophobicContact CD2-CD1 3.91Å; L843-L846 HydrophobicContact CD2-CG 4.5Å; L843-L846 PolarHBondContact O-N 3.44Å; L843-L846 VanDerWaalsContact O-N 3.11Å; T844-L846 VanDerWaalsContact C-N 3.34Å; T844-L846 PolarHBondContact O-N 3.38Å
847F41.1Very low39.1Very low23 Ų2395.6 Ų95.610%0.10158%0.58CS.*THydrogen-bonded Turntrans-134.6-0.6-161.1-73.8-52.3000114.5Q828 F831 L835 L843 T844 E845 P849 L1086 A1089Q828-F847 HydrophobicContact CG-CB 3.87Å; Q828-F847 HydrophobicContact CG-CG 4.35Å; Q828-F847 VanDerWaalsContact NE2-CD2 3.28Å; F831-F847 HydrophobicContact CD1-CE2 4.48Å; F831-F847 HydrophobicContact CD1-CZ 4.28Å; F831-F847 HydrophobicContact CE1-CE2 4.48Å; F831-F847 HydrophobicContact CE1-CZ 4.16Å; L835-F847 HydrophobicContact CD1-CE2 3.81Å; L843-F847 WeakPolarHBondContact O-CD2 3.32Å; T844-F847 CarbonylContact O-C 3.57Å; T844-F847 PolarHBondContact O-N 3.41Å; T844-F847 VanDerWaalsContact O-N 3.14Å; E845-F847 PolarHBondContact O-N 3.37Å; F847-P849 WeakPolarHBondContact O-CD 3.31Å; F847-L1086 HydrophobicContact CE1-CG 4.46Å; F847-A1089 HydrophobicContact CD1-CB 4.37Å; F847-A1089 HydrophobicContact CE1-CB 3.68Å; F847-A1089 HydrophobicContact CZ-CB 4.36Å
848N38.2Very low38.2Very low77 Ų7799.5 Ų99.541%0.41259%0.59SS.*  trans-99.899.7177.9-98-43.9000111.4T844 S850 S851T844-N848 PolarHBondContact O-N 2.99Å; T844-N848 VanDerWaalsContact O-N 3.09Å; T844-N848 PolarHBondContact O-ND2 3.27Å; N848-S850 PolarHBondContact O-N 3.27Å; N848-S851 WeakPolarHBondContact CB-OG 3.49Å; N848-S851 PolarHBondContact O-N 2.93Å
849P36.6Very low37.2Very low122 Ų122104.1 Ų104.179%0.79261%0.609SS**THydrogen-bonded Turntrans-67.81.9172.430.5-36.8000113.5F847F847-P849 WeakPolarHBondContact O-CD 3.31Å
850S36Very low36.7Very low96 Ų96108.9 Ų108.967%0.67163%0.633SS**THydrogen-bonded Turntrans-107.7-2.7-178.3-55.90000114.5N848 L852N848-S850 PolarHBondContact O-N 3.27Å; S850-L852 VanDerWaalsContact C-N 3.31Å
851S33.4Very low36.5Very low62 Ų62109.2 Ų109.243%0.43463%0.626SS.*SBendtrans-81.3-7.8175.8-58.50000113.7N848 T853N848-S851 WeakPolarHBondContact CB-OG 3.49Å; N848-S851 PolarHBondContact O-N 2.93Å; S851-T853 VanDerWaalsContact C-N 3.33Å; S851-T853 PolarHBondContact O-N 3.12Å
852L30.8Very low35.8Very low146 Ų146111.9 Ų111.976%0.76464%0.638SS**  trans-89.931.1-170.8-103.671.1000115S850S850-L852 VanDerWaalsContact C-N 3.31Å
853T28.9Very low34.9Very low133 Ų133116.1 Ų116.182%0.81665%0.654SS**  trans-108.945.9171.260.60000112.5S851S851-T853 VanDerWaalsContact C-N 3.33Å; S851-T853 PolarHBondContact O-N 3.12Å
854T29.3Very low34Very low122 Ų122120.5 Ų120.575%0.74868%0.683SS**  trans-108.2119.2171.7-580000109.4
855T29.6Very low33.1Very low134 Ų134123 Ų12382%0.82271%0.707SS**  trans-60.2133.5-173.3-53.60000112.6G857T855-G857 PolarHBondContact O-N 3.42Å; T855-G857 VanDerWaalsContact O-N 3.17Å
856I29.1Very low32.3Very low175 Ų175123.3 Ų123.390%0.89771%0.711SS**  trans-67.5109.2173.4-58.7169.6000109.3
857G29Very low31.4Very low54 Ų54123.7 Ų123.756%0.55772%0.717SS**  trans168.4123.5170.200000116.3T855T855-G857 PolarHBondContact O-N 3.42Å; T855-G857 VanDerWaalsContact O-N 3.17Å
858T33.1Very low30.7Very low151 Ų151128.8 Ų128.893%0.92675%0.751SS**  trans64.7132.4164.759.10000119
859K30.6Very low30.4Very low197 Ų197131.6 Ų131.686%0.85777%0.771SS**  trans-86.1147.2167-57.6174.7177.9-179.30109.4
860I32.3Very low30Very low156 Ų156131.9 Ų131.980%0.877%0.77SS**  165.4132.6123.6-88.3160.1000112
861L32.1Very low29.8Very low148 Ų148133.3 Ų133.378%0.77578%0.78SS**  trans46.4105.9162.7-92.660000121.7
862S27.8Very low29.8Very low102 Ų102136.5 Ų136.571%0.71380%0.797SS**  45.8135.1122.957.90000122.5
863H27.2Very low29.7Very low188 Ų188134.8 Ų134.887%0.8780%0.795SS**  trans-67.1141.4-174.6-44.8-91.2000116.2
864T30.6Very low29.9Very low143 Ų143133 Ų13388%0.87778%0.784SS**  trans-144.7142.1139.5-650000107.3
865A27.2Very low29.8Very low86 Ų86132.6 Ų132.671%0.71178%0.781SS**  trans-76.3148.1-177.800000112
866M27.3Very low30.1Very low172 Ų172133 Ų13385%0.84778%0.782SS**  179.3134.1127.1-95.6-73.1-103.800112.6
867T30.1Very low30.2Very low110 Ų110129.6 Ų129.668%0.67577%0.77SS**  trans49.9115.3145.8-48.90000121.2
868T26.5Very low30.2Very low131 Ų131132.2 Ų132.280%0.80478%0.78SS**  trans-41.4124.3167.2-43.40000116.5
869V30.7Very low30.1Very low136 Ų136131.1 Ų131.182%0.82477%0.773SS**  trans-142.7139.9149.2-162.30000109.8
870T27.6Very low30.1Very low127 Ų127127.2 Ų127.278%0.77977%0.768SS**  trans-88.4131.3-177.245.80000113.9
871S33.1Very low30.1Very low127 Ų127127.9 Ų127.989%0.88877%0.772SS**  trans-159.5161.9152.651.30000111.9
872T32.7Very low29.9Very low128 Ų128126.7 Ų126.779%0.78577%0.77SS**  trans-87.5158.1-166.741.50000114.7
873P28.1Very low30.1Very low111 Ų111129.4 Ų129.472%0.72177%0.771SS**  trans-79.4160.5-178.334.4-37.4000113.5
874V33.7Very low30.2Very low96 Ų96124.3 Ų124.358%0.58276%0.757SS**  trans-139.3140.9165.2177.10000108.4
875V28.3Very low30.1Very low113 Ų113123.2 Ų123.269%0.68575%0.745SS**  trans-105.6134.1-176.6177.30000111.4T877V875-T877 HydrophobicContact CG1-CG2 4.19Å
876V34.7Very low30.3Very low141 Ų141125.4 Ų125.486%0.85574%0.743SS**  trans-134.1141.4164.1-175.30000109.3
877T30.9Very low30.4Very low104 Ų104122.1 Ų122.164%0.63873%0.73SS**  trans-116.3144.7-161.354.20000114.2V875V875-T877 HydrophobicContact CG1-CG2 4.19Å
878S29.3Very low30.4Very low109 Ų109123.7 Ų123.776%0.76273%0.734SS**  trans68.2148.4150.1-59.30000117.4
879T32Very low30.5Very low128 Ų128122.9 Ų122.979%0.78573%0.732SS**  cis-156.6162.3-3.27.40000108.5
880P29.8Very low30.6Very low116 Ų116122.4 Ų122.475%0.75373%0.729SS**  trans-92.7152.1-166.636.3-35.1000115
881I32.2Very low30.7Very low170 Ų170122.8 Ų122.887%0.87273%0.727SS**  trans-133147.6157.7-64.8-175000108.8
882V28.3Very low30.7Very low122 Ų122122.2 Ų122.274%0.73972%0.718SS**  trans-87.9154.5-173.3-151.80000111
883Q31Very low30.5Very low159 Ų159121.9 Ų121.974%0.74372%0.72SS**  151.6123.8117.4-160.46024.900114.5
884S30.1Very low30.8Very low82 Ų82121.2 Ų121.257%0.57372%0.716SS**  trans58.6119150.3660000123.7
885L28.2Very low30.6Very low120 Ų120125 Ų12563%0.62873%0.727SS**  89.7133.3120.1-74.3171.9000122.5L1070L885-L1070 HydrophobicContact CD2-CD2 3.68Å; L885-L1070 HydrophobicContact CG-CD2 4.41Å
886I32.2Very low30.5Very low131 Ų131124 Ų12467%0.67273%0.725SS**  trans83.586147.5-63.1160.2000117.9
887D28.7Very low30.3Very low104 Ų104124.8 Ų124.856%0.55672%0.724SS**  68.8115.9112.8-53.3-9.6000123.3
888N31Very low30Very low143 Ų143124.5 Ų124.577%0.76573%0.726SS**  90.6143.3122.5-69.7-15.6000123
889C28.3Very low30Very low113 Ų113124.1 Ų124.176%0.76472%0.724SS**  trans69.8120.2168.8-61.60000117.5
890V32.5Very low29.7Very low127 Ų127125.3 Ų125.377%0.7773%0.725SS**  72.3119.154.7176.70000109
891D30.3Very low29.7Very low135 Ų135128.4 Ų128.472%0.72273%0.734SS**  cis-159.9-176.625.8-144.1-23.8000114.9
892T32.8Very low29.4Very low115 Ų115125 Ų12571%0.70673%0.725SS**  trans70.9101.1149.148.90000122.2
893S28.3Very low29.3Very low120 Ų120130 Ų13084%0.83973%0.733SS**  77.3151.1121.8-101.30000122.8
894P33.7Very low29.2Very low97 Ų97125.7 Ų125.763%0.6373%0.73SS**  trans-109-174.5-168.344.1-36.6000114.2
895H29.4Very low29.3Very low175 Ų175131.2 Ų131.281%0.8175%0.747SS**  trans134.3141.4155.5-70.9-44.2000109.6
896S27Very low29.3Very low92 Ų92130.9 Ų130.964%0.64375%0.75SS**  cis-169.6-171.4-11.7-90.90000106.6
897L29.7Very low29.4Very low158 Ų158131.6 Ų131.683%0.82776%0.761SS**  trans73.482.5159.5-53-179.3000119.1
898S26.1Very low29.4Very low98 Ų98134.5 Ų134.569%0.68577%0.771SS**  49.8142.8109.667.80000123.2
899S27.5Very low29.3Very low102 Ų102133.6 Ų133.671%0.71378%0.775SS**  trans93.3110.9147.5780000119.5
900N26Very low29.3Very low153 Ų153136.4 Ų136.482%0.81878%0.781SS**  trans30.3116.4133.6-53.1-20.1000119
901L29.9Very low29.1Very low181 Ų181136 Ų13695%0.94878%0.779SS**  -155.7160.9119.4-133.371.2000111.4
902S25.6Very low28.9Very low97 Ų97135.6 Ų135.668%0.67878%0.777SS**  trans-120.3133.1174.31780000109
903Y26.5Very low28.9Very low229 Ų229139.7 Ų139.790%0.89878%0.78SS**  171.5146.2128-114.6-93.9000112.6
904G30.5Very low28.7Very low67 Ų67139.1 Ų139.169%0.69177%0.772SS**  trans82157.4160.500000116.6
905Q32Very low28.3Very low198 Ų198140.2 Ų140.293%0.92578%0.777SS**  cis-151.3154.8-9.2-129.9174.77.700111.1
906T27.8Very low28.2Very low114 Ų114138.2 Ų138.270%0.69978%0.778SS**  trans-85.2146.9-175.250.20000113.7
907T34.5Very low28.2Very low145 Ų145139 Ų13989%0.8978%0.778SS**  trans-144.7128.8144.413.70000111.3
908H27.1Very low28Very low165 Ų165136.9 Ų136.976%0.76477%0.772SS**  trans-80.8173.8162.6-62.1-99.2000108.4
909C30.6Very low27.9Very low125 Ų125139.7 Ų139.785%0.84578%0.779SS**  -159.1151.465.5-74.80000113.6
910L26.9Very low27.9Very low172 Ų172138.2 Ų138.290%0.90177%0.768SS**  trans-86.4135.3161-83159000110
911T29.4Very low28Very low118 Ų118139.4 Ų139.472%0.72477%0.769SS**  trans172.2145.3153.637.80000106.4
912D26.5Very low28Very low126 Ų126135.2 Ų135.267%0.67476%0.755SS**  cis-159.4-161.3-4.3-109.6-26.1000108.7
913Y31Very low28.4Very low201 Ų201136.1 Ų136.179%0.78876%0.761SS**  trans86.773.1160.8-60.5-77.1000119.9
914T25.9Very low28.8Very low108 Ų108129.4 Ų129.466%0.66375%0.753SS**  33.7129.111263.60000120.8
915T24.8Very low29Very low120 Ų120131.4 Ų131.474%0.73676%0.755SS**  trans56.2116.8140.459.10000119.9
916T27.5Very low29.3Very low134 Ų134127.6 Ų127.682%0.82274%0.741SS**  -170.4135.8109.423.60000108
917T26.3Very low29.8Very low107 Ų107127.2 Ų127.266%0.65674%0.735SS**  87.285.357.6-52.90000113.6
918T25.1Very low29.7Very low114 Ų114130.2 Ų130.270%0.69973%0.732SS**  trans69.7158144.370.10000121.1
919L25.5Very low30.1Very low158 Ų158130.1 Ų130.183%0.82773%0.731SS**  trans67.1154.7164.5-87.769.1000114.8
920S25.7Very low30.4Very low70 Ų70129.5 Ų129.549%0.4972%0.723SS.*  cis-160.6152.7-2.4-124.30000111.4
921Q28.8Very low30.7Very low178 Ų178126.2 Ų126.283%0.83271%0.714SS**  trans67.1150.3145.9-68.3162.363.100117.6
922S30.6Very low30.8Very low93 Ų93127.6 Ų127.665%0.6572%0.716SS**  cis-162.4150.4-3.6410000111.7
923S32.7Very low31.2Very low116 Ų116127.9 Ų127.981%0.81172%0.717SS**  trans57.1146.7153.853.80000119.4
924A36.2Very low31.1Very low88 Ų88124.2 Ų124.273%0.72771%0.711SS**  cis-168157.3-5.200000107
925C35.1Very low31.5Very low109 Ų109125.1 Ų125.174%0.73671%0.71SS**  cis-155.3160.4-0.1-119.80000111.5
926D37.3Very low31.6Very low119 Ų119127.9 Ų127.964%0.63672%0.715SS**  trans78.6100141.7-77.439.5000123.8
927N38.6Very low32Very low105 Ų105126.7 Ų126.756%0.56171%0.71SS**  91.695.3125.5-52.1-24.3000118.4
928Y33.2Very low32.1Very low209 Ų209128.6 Ų128.682%0.8272%0.715SS**  82.5148.878.4-67.5-43.7000112.9
929H34.5Very low32.2Very low163 Ų163130.9 Ų130.976%0.75572%0.723SS**  cis-158.3170.320.6-154.9-151.8000114.3
930V37.2Very low32.5Very low112 Ų112127.5 Ų127.568%0.67972%0.717SS**  trans69.885.8162.4-163.10000119.3
931S32.7Very low32.6Very low102 Ų102131.3 Ų131.371%0.71374%0.737SS**  trans-63.1-179.2146.8-27.40000112.7
932L31.1Very low32.7Very low147 Ų147126.6 Ų126.677%0.7774%0.737SS**  159.3144.5119.2-83.6170.7000114.7
933I34.9Very low32.7Very low133 Ų133125.3 Ų125.368%0.68274%0.738SS**  trans68.4130.2140.4-71.5169.9000118.2
934N30.4Very low32.7Very low123 Ų123128.2 Ų128.266%0.65875%0.745SS**  cis-172.9167.5-5.1-118.3-5.4000114
935I33.9Very low32.6Very low127 Ų127127.7 Ų127.765%0.65175%0.748SS**  trans6799.6141.8-65.7164.7000120.2
936Q26.1Very low32.4Very low178 Ų178131 Ų13183%0.83276%0.757SS**  50.4149.5124.6-68.4179.1-68.900124.4
937P36.9Very low32.1Very low110 Ų110130.9 Ų130.971%0.71477%0.766SS**  trans-98167.7173.540.6-36000113.9
938N28.4Very low31.8Very low146 Ų146129 Ų12978%0.78177%0.771SS**  trans-172.9134.5141.8-107.5-39.1000115.5
939L26.8Very low31.8Very low162 Ų162124.1 Ų124.185%0.84876%0.763SS**  trans48.9168.1134.2-110.365.3000124.9
940A30.9Very low31.7Very low87 Ų87126 Ų12672%0.71977%0.765SS**  trans72.8128.3-179.600000116.1
941V28.1Very low31.5Very low150 Ų150127.6 Ų127.691%0.90977%0.765SS**  cis88125.621.9-173.60000115
942G31.3Very low31.5Very low80 Ų80130.3 Ų130.383%0.82576%0.764SS**  trans98.6147178.700000113.7
943G30.1Very low31.6Very low66 Ų66128.3 Ų128.368%0.6876%0.762SS**  cis166.2150-6.300000112.3
944D33Very low31.7Very low177 Ų177126.8 Ų126.895%0.94776%0.761SS**  trans59.8154.3161.8-50.7-35.1000120.4
945G35.2Very low31.8Very low77 Ų77127.9 Ų127.979%0.79477%0.767SS**  trans161.943-179.800000118.1
946L30.6Very low31.6Very low178 Ų178125.3 Ų125.393%0.93276%0.76SS**  trans-47.7141.6-178.1-60.7161.9000115.9
947S30.7Very low32Very low117 Ų117123.1 Ų123.182%0.81875%0.754SS**  145.6113.8106.6-165.60000116.7
948G33Very low31.6Very low64 Ų64124.8 Ų124.866%0.6676%0.757SS**  trans78.8159.9137.200000121.5
949T32.8Very low31.8Very low107 Ų107123.8 Ų123.866%0.65675%0.75SS**  cis-169.3159.7-1526.70000111.2
950Y31.8Very low31.9Very low203 Ų203123.7 Ų123.780%0.79675%0.745SS**  trans79.7102.6155.3-56.3-47.8000122.1
951E32.9Very low32.1Very low145 Ų145124.8 Ų124.868%0.67875%0.748SS**  91133.7118.3-69.3-131.5119.700123.9
952K33.4Very low32Very low160 Ų160126 Ų12670%0.69674%0.743SS**  trans70.384.5141.7-73.8-176174.779.10121.1
953S32.1Very low32Very low104 Ų104126.2 Ų126.273%0.72774%0.738SS**  -15148.8105.5-147.90000114.4
954P38.3Very low32Very low101 Ų101128.8 Ų128.866%0.65674%0.74SS**  cis-158.7-177.446.544-21.8000119.5
955N31Very low32Very low147 Ų147127.9 Ų127.979%0.78674%0.735SS**  trans63.1155.5139.9-784.9000120.5
956S29.7Very low31.9Very low72 Ų72129.6 Ų129.650%0.50373%0.73SS.*  cis175.3167.6-18.955.20000107.6
957N34.9Very low31.9Very low133 Ų133127.3 Ų127.371%0.71172%0.723SS**  trans72.1123.4160.4-55-22.4000115.4
958N27.9Very low32.1Very low144 Ų144125.5 Ų125.577%0.7772%0.715SS**  79.4158.854.2-168.524.3000112.3
959I32.9Very low32Very low126 Ų126127.1 Ų127.165%0.64672%0.722SS**  trans99.297.7165.7-56.4171.2000117.7
960H29.3Very low31.8Very low159 Ų159126.4 Ų126.474%0.73673%0.727SS**  trans59.1175.1131.6-73.9-98.2000122.9
961S34.6Very low31.9Very low111 Ų111120.9 Ų120.978%0.77672%0.724SS**  trans88.190.1178.9-36.70000112.5
962E27.7Very low31.9Very low174 Ų174119 Ų11981%0.81373%0.732SS**  cis65.1139.240.2-157.7-176.2-170.100113.7
963A31.2Very low31.8Very low86 Ų86116.4 Ų116.471%0.71173%0.732SS**  trans69.4151.2168.500000117.6
964T29.4Very low31.6Very low120 Ų120117.6 Ų117.674%0.73674%0.735SS**  cis-167.5178.2-19.6-92.80000106.7
965L32.1Very low31.1Very low158 Ų158116.9 Ų116.983%0.82774%0.738SS**  trans86.3131.9175.2-48.4172.7000113.5
966V34.7Very low31Very low113 Ų113115.9 Ų115.969%0.68574%0.737SS**  cis-153125.6-6.7103.20000106.9
967T30.7Very low31.1Very low130 Ų130118.5 Ų118.580%0.79875%0.745SS**  58.9127.3107.7-52.70000114.1
968A33Very low31.1Very low79 Ų79118.2 Ų118.265%0.65374%0.743SS**  cis-131.816214.400000110.7
969A31.1Very low31.4Very low98 Ų98116.6 Ų116.681%0.8173%0.733SS**  54.8135.874.700000113.7
970A30.2Very low31.6Very low92 Ų92116.6 Ų116.676%0.7674%0.741SS**  cis-166.9177.1-9.400000109.6
971A33.2Very low31.6Very low87 Ų87113.7 Ų113.772%0.71973%0.731SS**  trans61.9133.2157.800000118.7P973A971-P973 WeakPolarHBondContact O-CD 3.08Å
972A32.8Very low31.5Very low104 Ų104115.6 Ų115.686%0.8673%0.728SS**  trans-77.1134.5146.700000108.6
973P31.1Very low31.6Very low107 Ų107112.8 Ų112.870%0.69572%0.722SS**  trans-116.4133.8143.1-4.825.5000112.1A971A971-P973 WeakPolarHBondContact O-CD 3.08Å
974T27.6Very low31.6Very low128 Ų128113.3 Ų113.379%0.78572%0.721SS**  trans1.2134.2138.653.30000119.8
975A27.6Very low31.6Very low86 Ų86111.7 Ų111.771%0.71171%0.714SS**  trans76146.6130.800000120.3
976V30.2Very low31.7Very low126 Ų126112.4 Ų112.476%0.76471%0.711SS**  trans63.5114.3147.6170.20000114.4
977D31.4Very low31.4Very low128 Ų128113 Ų11368%0.68471%0.711SS**  cis-165.2172.744.3-132.1-15.8000114.7
978L34.4Very low31.4Very low127 Ų127113.8 Ų113.867%0.66571%0.71SS**  trans39.7109.7151.4-61159.9000119.8
979I34.1Very low31.4Very low110 Ų110114.8 Ų114.856%0.56471%0.712SS**  65.2116.671.3-65.8179.4000112.4N981I979-N981 HydrophobicContact CG2-CB 3.67Å; I979-N981 VanDerWaalsContact CG2-ND2 3.27Å; I979-N981 WeakPolarHBondContact CG2-ND2 3.02Å; I979-N981 WeakPolarHBondContact CG2-OD1 3.34Å
980P36.5Very low31.5Very low125 Ų125115.6 Ų115.681%0.81271%0.711SS**  -95.3139.675.7-19.835.2000114.4
981N29.8Very low31.5Very low98 Ų98119.7 Ų119.752%0.52472%0.715SS.*  cis61.1122.646.2-76.8-6.3000112.2I979I979-N981 HydrophobicContact CG2-CB 3.67Å; I979-N981 VanDerWaalsContact CG2-ND2 3.27Å; I979-N981 WeakPolarHBondContact CG2-ND2 3.02Å; I979-N981 WeakPolarHBondContact CG2-OD1 3.34Å
982H32.2Very low31.2Very low152 Ų152120.8 Ų120.870%0.70472%0.717SS**  cis-150.8162.51.4-77.1-63.4000106.9
983T31.2Very low31.2Very low115 Ų115121.7 Ų121.771%0.70671%0.712SS**  cis-157.6146.85.7-3.90000109.6
984S30.5Very low31Very low97 Ų97124.1 Ų124.168%0.67872%0.719SS**  trans24144.2137.265.90000121.3
985S30Very low31Very low85 Ų85125 Ų12559%0.59472%0.718SS**  cis167.6170.51.152.50000107.6
986F33.1Very low31.1Very low174 Ų174127.9 Ų127.976%0.76372%0.721SS**  cis-134.3139.1-0.9-83.1-72.3000105.6
987D29Very low31Very low126 Ų126130 Ų13067%0.67472%0.722SS**  52.3129.490-54.4-39.1000113.8
988N30.3Very low30.7Very low146 Ų146131.2 Ų131.278%0.78172%0.724SS**  cis-154.6165.240.6-95.5-61.7000116.5
989S32.9Very low30.3Very low100 Ų100129.5 Ų129.570%0.69971%0.712SS**  trans-9.9161.4151.360.60000121.6
990S33.4Very low29.8Very low114 Ų114129.3 Ų129.380%0.79771%0.709SS**  cis-168.9172.8531.10000112.7
991E30.5Very low29.3Very low179 Ų179133.2 Ų133.284%0.83671%0.709SS**  trans-70.8158.8169.8-55.1162.8104.800114.1
992S27.4Very low29.1Very low110 Ų110132.8 Ų132.877%0.76972%0.719SS**  142.311211864.70000118.6
993T31.1Very low28.7Very low122 Ų122130.9 Ų130.975%0.74872%0.723SS**  trans36.1123.3140.7560000124
994L28.5Very low28.3Very low159 Ų159132.2 Ų132.283%0.83272%0.724SS**  trans80.9134.1132.5-74.6169.2000122.2
995L27.5Very low28.1Very low147 Ų147133.8 Ų133.877%0.7773%0.729SS**  trans78.4142.8157.6-73.8164.7000119.9
996N28.1Very low27.9Very low146 Ų146133.3 Ų133.378%0.78173%0.726SS**  trans76.1126.3161.3-62.7-30.1000120.7
997H28.2Very low27.6Very low170 Ų170133.1 Ų133.179%0.78773%0.73SS**  trans-8.7133.5149.4-69.1-24.3000119.7
998H25.9Very low27.6Very low154 Ų154131.9 Ų131.971%0.71373%0.731SS**  trans72.6143.7132.3-86.62.2000120.2
999Q25.2Very low27.5Very low91 Ų91129 Ų12943%0.42572%0.722SS.*  trans73.4117.7140.2-76.2158.4-25.900118.9N167 E168N167-Q999 PolarHBondContact O-NE2 3.35Å; E168-Q999 VanDerWaalsContact C-NE2 3.26Å; E168-Q999 PolarHBondContact O-NE2 2.98Å
1000Q25.2Very low27.5Very low106 Ų106131 Ų13150%0.49573%0.725SS.*  88.8128.4125.6-71.7172.3-3.500120.5I166 N167I166-Q1000 PolarHBondContact O-OE1 2.94Å; N167-Q1000 PolarHBondContact O-NE2 3.06Å
1001Y25.5Very low27.5Very low207 Ų207131.6 Ų131.681%0.81272%0.719SS**  trans72.6100.9135.8-78.9-124.2000119.2
1002A24.3Very low27.6Very low89 Ų89129.8 Ų129.874%0.73671%0.714SS**  61.185.3112.900000118.5
1003S24.1Very low27.7Very low111 Ų111128.8 Ų128.878%0.77671%0.707SS**  trans-161.3137.3141.7-82.40000108.5
1004I24.2Very low27.7Very low144 Ų144131 Ų13174%0.73871%0.707SS**SBendcis-157.4145.36.9-119.3159.9000108.7
1005V25.8Very low27.8Very low129 Ų129128.2 Ų128.278%0.78269%0.693SS**  trans64.9129164.1164.70000117
1006S25.1Very low28.2Very low76 Ų76127.4 Ų127.453%0.53169%0.685SS.*  cis-169.7152.5-7.7-103.70000111.9
1007M28.1Very low28.3Very low170 Ų170129.7 Ų129.784%0.83768%0.684SS**  trans69.3138.5166.4-37.4-39.5177.700115.3
1008S28.1Very low28.3Very low100 Ų100126.9 Ų126.970%0.69968%0.682SS**  cis-160.2154.4-2.9-151.10000111.6
1009S27.6Very low28.5Very low86 Ų86124.5 Ų124.560%0.60168%0.683SS**  trans26.6134.3141.755.90000120.3
1010D32.4Very low28.7Very low140 Ų140128.6 Ų128.675%0.74970%0.702SS**  cis-173.3160.619.4-118.6-17.7000116
1011L34.1Very low28.8Very low128 Ų128131.7 Ų131.767%0.6772%0.716SS**  trans68.1118145.2-66.2163.2000123.5
1012N31.9Very low28.9Very low140 Ų140129 Ų12975%0.74971%0.711SS**  trans70.6144.5136.6-62.5-20000118.9
1013S30.7Very low29.1Very low89 Ų89132.2 Ų132.262%0.62271%0.71SS**  cis167.8159.90.9-89.90000104.4
1014F31Very low29.2Very low170 Ų170134.1 Ų134.175%0.74671%0.707SS**  cis-163.5144.29.2-134.4-140.9000107.9
1015N31.4Very low29.2Very low100 Ų100137 Ų13754%0.53571%0.708SS.*  46.6147.1124.7-70.9-26.9000121.7
1016H34.6Very low29.1Very low130 Ų130137.7 Ų137.760%0.60270%0.703SS**  cis-176167.217.9-124.8-8.5000114.8
1017Y31.2Very low29.2Very low193 Ų193142.8 Ų142.876%0.75772%0.719SS**  trans58.3128.6161.9-70.7-77000119.4
1018C27.6Very low29Very low111 Ų111142.1 Ų142.175%0.7571%0.713SS**  66.7148.153.6-111.20000114.6
1019S30.1Very low29Very low105 Ų105145.9 Ų145.973%0.73472%0.717SS**  cis-157.1-179.68.9-153.10000113.6
1020H28.9Very low29Very low176 Ų176146.1 Ų146.182%0.81572%0.719SS**  trans-59.8158.4168.5-75-69.6000113.7
1021Q28.7Very low29Very low172 Ų172145.5 Ų145.580%0.80472%0.72SS**  173.8139.4105.1-91.2-171.9300115.1
1022H26.3Very low28.8Very low150 Ų150147.5 Ų147.569%0.69472%0.724SS**  trans39.8162.1142.8-76.9-78.2000124.8
1023H29.9Very low28.9Very low157 Ų157146.3 Ų146.373%0.72772%0.723SS**  trans71.6154.7159.2-65.8-40.5000116.2
1024Q25.4Very low28.9Very low151 Ų151146.5 Ų146.571%0.70673%0.725SS**  cis-173.9169.1-31.2-122.5-178.211.700105.2
1025R24.5Very low29Very low203 Ų203142.7 Ų142.777%0.76672%0.719SS**  trans69.8125.5165.9-72.1-175.8127.21470.7115
1026Q24Very low29Very low145 Ų145143.7 Ų143.768%0.67873%0.731SS**  70.3144.176.8-67.7-179.1-43.700113.5
1027Q27.5Very low28.7Very low182 Ų182144.8 Ų144.885%0.8574%0.74SS**  trans72.9144.3178.2-53.9-173.511.700113.5
1028H23.8Very low28.7Very low157 Ų157144.4 Ų144.473%0.72774%0.743SS**  cis174.2178.1-23.3-127.4-116.6000103.6
1029F28.1Very low28.9Very low179 Ų179144.4 Ų144.479%0.78574%0.742SS**  trans68.5105.2179.1-53.8-78.8000114.1
1030S26.8Very low28.6Very low90 Ų90145.3 Ų145.363%0.62974%0.739SS**  cis78.2115.925.397.60000116.1
1031V31.6Very low28.6Very low127 Ų127143.1 Ų143.177%0.7773%0.733SS**  trans159.3105.5143.8155.90000105.1
1032F29.9Very low28.5Very low171 Ų171144.1 Ų144.175%0.7574%0.737SS**  65152.370.1-80.6-73.2000113.7
1033P34.4Very low28.6Very low114 Ų114140.8 Ų140.874%0.7474%0.743SS**  cis-122.9-175.3-7.941.6-26.6000111.9
1034S32.2Very low28.4Very low94 Ų94138.4 Ų138.466%0.65775%0.745SS**  cis-162.3148.9-13.833.40000106.2
1035S31.4Very low28.5Very low89 Ų89138.3 Ų138.362%0.62275%0.748SS**  65.2153.151.5-46.40000113.4
1036P33Very low28.7Very low121 Ų121134.2 Ų134.279%0.78675%0.745SS**  cis-109.3160.41.812.412.6000113
1037L26.8Very low28.8Very low153 Ų153132.5 Ų132.580%0.80175%0.745SS**  87.6140.652.6-92.778.8000116.8
1038F32.4Very low28.8Very low185 Ų185130.8 Ų130.881%0.81174%0.741SS**  trans-66.6164.5-179.5-57.5-95.3000114.4
1039P31.2Very low28.9Very low112 Ų112127.4 Ų127.473%0.72774%0.735SS**  -117.416395.80.421.6000112
1040N24.5Very low28.9Very low124 Ų124127.4 Ų127.466%0.66374%0.737SS**  61.7141.154-64.264.2000112.3
1041D27.3Very low29Very low129 Ų129128.3 Ų128.369%0.6974%0.739SS**  cis-157.3-170.1-9.5-97.2-31.5000107.3
1042E28.4Very low28.7Very low193 Ų193129.2 Ų129.290%0.90274%0.738SS**  trans60.3102.2162.1-46.6-163.3160.100117.1
1043G28.3Very low28.8Very low80 Ų80130.1 Ų130.183%0.82574%0.742SS**  101.5166.799.500000111.5
1044S25.1Very low28.4Very low108 Ų108128.8 Ų128.876%0.75574%0.735SS**  cis-155172.2-9.8-150.80000109.8
1045I26.3Very low28.3Very low149 Ų149131.9 Ų131.976%0.76474%0.744SS**  trans-32.7132.415740.1166.9000111.9
1046T28.8Very low28.4Very low116 Ų116132.1 Ų132.171%0.71275%0.746SS**  175.6155.485.146.40000108.2
1047T26.7Very low28.4Very low110 Ų110133.2 Ų133.268%0.67575%0.745SS**  cis-173.2175.20.822.30000109.4
1048L27.9Very low28.6Very low146 Ų146133.3 Ų133.376%0.76475%0.747SS**  trans42.9113.2142.6-61.1160.4000118.4
1049S24.7Very low28.6Very low86 Ų86132 Ų13260%0.60175%0.748SS**  68.8151.366.879.70000115.7
1050E28.8Very low28.6Very low179 Ų179132.2 Ų132.284%0.83675%0.747SS**  trans73.2149.2174.6-54.3-166.812500115.2
1051V29.6Very low28.8Very low109 Ų109133 Ų13366%0.66175%0.751SS**  cis-153.5155.1-9.8112.90000112.1
1052L26Very low29Very low145 Ų145133.5 Ų133.576%0.75975%0.754SS**  trans-14.4129.5160.3-51.3161.7000118.3
1053K30.2Very low29Very low191 Ų191130.5 Ų130.583%0.8375%0.749SS**  trans160.7153.8132.4-89.2151-166.6168.50109.6
1054S26.5Very low28.9Very low85 Ų85131.4 Ų131.459%0.59474%0.742SS**  cis154.4150.2-11-90.20000104
1055D29.6Very low29.1Very low159 Ų159134.2 Ų134.285%0.8575%0.749SS**  trans70.5142.7167.6-43.4-26.5000114.7
1056S34.5Very low29.2Very low94 Ų94130.8 Ų130.866%0.65775%0.75SS**  cis-158.6140.5-249.40000112.5
1057D32.2Very low29Very low145 Ų145135.4 Ų135.478%0.77576%0.761SS**  trans57.2125.9133.4-46.8-16.2000123.3
1058D31.3Very low29.1Very low154 Ų154134.3 Ų134.382%0.82476%0.763SS**  trans49.8107.5133.7-60.6-9.5000122
1059N32Very low29Very low158 Ų158133.8 Ų133.885%0.84576%0.761SS**  -154.9161108.3-135.9-35.7000113.6
1060V31.4Very low29.1Very low117 Ų117136 Ų13671%0.70977%0.765SS**  trans-85.6139.6-175.7-72.70000113.8
1061N29.8Very low29.1Very low140 Ų140131.2 Ų131.275%0.74976%0.763SS**  177.8158.3121.2-90.1-7.6000114.3
1062D30.4Very low28.9Very low139 Ų139132.8 Ų132.874%0.74377%0.773SS**  trans60.989.3156-61.3-43.1000123
1063V28.1Very low29Very low131 Ų131132 Ų13279%0.79478%0.775SS**  42.1100.5122.7-171.90000119
1064S26.9Very low28.7Very low98 Ų98132 Ų13269%0.68578%0.778SS**  176.3148.7123.1-82.40000113.9
1065N29.2Very low28.8Very low168 Ų168134.4 Ų134.490%0.89879%0.789SS**  trans61.6146.5161.8-59.1-30.7000119.1
1066G28.1Very low28.7Very low77 Ų77134.4 Ų134.479%0.79479%0.789SS**  trans143.2101.8166.300000115.5
1067F26.3Very low28.4Very low213 Ų213138.4 Ų138.493%0.93480%0.797SS**  trans-56.3152-178.8-78.3-105.7000117.2
1068A27.1Very low28.4Very low86 Ų86136 Ų13671%0.71179%0.788SS**  trans117.8144.6131.100000120.5
1069N27Very low28.3Very low135 Ų135134.5 Ų134.572%0.72278%0.78SS**  trans80143.2156-76-31.1000123.1
1070L27.2Very low28.5Very low134 Ų134131.5 Ų131.570%0.70276%0.763SS**  trans66.3132.2169.8-87.767.4000119.3L885L885-L1070 HydrophobicContact CD2-CD2 3.68Å; L885-L1070 HydrophobicContact CG-CD2 4.41Å
1071G27.6Very low28.6Very low77 Ų77130.6 Ų130.679%0.79476%0.758SS**  trans146.252.3169.500000116.7T1073G1071-T1073 PolarHBondContact O-N 2.79Å
1072T26Very low28.8Very low142 Ų142129.7 Ų129.787%0.87175%0.753SS**  trans-78.5118.1-174.850.30000114.6
1073T26.7Very low29.2Very low128 Ų128130.5 Ų130.579%0.78576%0.757SS**  trans-147.1122.3150.930.30000111.5G1071G1071-T1073 PolarHBondContact O-N 2.79Å
1074E25.3Very low29.8Very low192 Ų192130.6 Ų130.690%0.89774%0.743SS**  trans21.596152.1-62176171.700118.1
1075T27.8Very low30.6Very low135 Ų135130.4 Ų130.483%0.82874%0.735SS**  trans-121.6120.914928.80000107.6H1077T1075-H1077 PolarHBondContact O-N 3.16Å
1076D27.3Very low31.5Very low159 Ų159123.2 Ų123.285%0.8570%0.696SS**  trans-65.6101.4-174.1-81.6-36.1000111V1078D1076-V1078 PolarHBondContact O-N 3.41Å
1077H29Very low32.4Very low178 Ų178125.4 Ų125.482%0.82469%0.689SS**  trans-68.3100.5169.4-150.1-77.5000107.4T1075 D1079T1075-H1077 PolarHBondContact O-N 3.16Å; H1077-D1079 PolarHBondContact O-N 3.28Å
1078V33Very low33.5Very low96 Ų96117.1 Ų117.158%0.58266%0.658SS**  trans-69.595.1-177.6-1790000109D1076 L1080D1076-V1078 PolarHBondContact O-N 3.41Å; V1078-L1080 PolarHBondContact O-N 3.26Å
1079D28.3Very low34.3Very low122 Ų122113.7 Ų113.765%0.65263%0.629SS**  trans-59.9106.8172.6-101.4-24.3000109.6H1077 T1081H1077-D1079 PolarHBondContact O-N 3.28Å; D1079-T1081 HydrophobicContact CB-CG2 4.15Å; D1079-T1081 PolarHBondContact O-N 2.91Å
1080L36.2Very low35.7Very low94 Ų94110 Ų11049%0.49261%0.609SS.*  trans-82.537.8179.4-73.9162000111.5V1078 D1082 L1092V1078-L1080 PolarHBondContact O-N 3.26Å; L1080-D1082 VanDerWaalsContact C-N 3.33Å; L1080-D1082 PolarHBondContact O-N 3.23Å; L1080-L1092 HydrophobicContact CD2-CD1 4.33Å
1081T33.7Very low37.2Very low99 Ų99110.2 Ų110.261%0.60761%0.611SS**  trans-78.2-14.5-174.149.40000113.9D1079D1079-T1081 HydrophobicContact CB-CG2 4.15Å; D1079-T1081 PolarHBondContact O-N 2.91Å
1082D33.8Very low38.6Very low120 Ų120110.9 Ų110.964%0.64260%0.596SS**SBendtrans-88.9104.1176-92.4-36.4000112.5L1080 R1084L1080-D1082 VanDerWaalsContact C-N 3.33Å; L1080-D1082 PolarHBondContact O-N 3.23Å; D1082-R1084 VanDerWaalsContact C-N 3.29Å; D1082-R1084 VanDerWaalsContact O-CG 3.31Å; D1082-R1084 WeakPolarHBondContact O-CG 3.35Å; D1082-R1084 PolarHBondContact O-N 3.37Å
1083N39.2Very low40.3Very low157 Ų157105.8 Ų105.884%0.8456%0.563SS**  trans1551.7144.4-56.6-81.8000119.1N1085N1083-N1085 PolarHBondContact O-N 3.01Å; N1083-N1085 VanDerWaalsContact O-N 3.13Å
1084R39.5Very low42Very low132 Ų132102.8 Ų102.850%0.49855%0.546SS..  trans-80.799.6-174.2-89.3168-162.3-1457.4112.1D1082D1082-R1084 VanDerWaalsContact C-N 3.29Å; D1082-R1084 VanDerWaalsContact O-CG 3.31Å; D1082-R1084 WeakPolarHBondContact O-CG 3.35Å; D1082-R1084 PolarHBondContact O-N 3.37Å
1085N44.5Very low43.8Very low95 Ų9599.4 Ų99.451%0.50853%0.534SS..  trans-38.6143.2160.7177.7-48.3000111.1N1083 L1087 S1088N1083-N1085 PolarHBondContact O-N 3.01Å; N1083-N1085 VanDerWaalsContact O-N 3.13Å; N1085-L1087 PolarHBondContact O-N 3.49Å; N1085-L1087 PolarHBondContact OD1-N 2.69Å; N1085-L1087 VanDerWaalsContact OD1-N 3.07Å; N1085-S1088 WeakPolarHBondContact O-CA 3.3Å; N1085-S1088 WeakPolarHBondContact O-CB 3.45Å; N1085-S1088 PolarHBondContact O-N 3.35Å
1086L47.5Very low45.2Very low16 Ų1698.1 Ų98.18%0.08452%0.522CS..Hα-helixtrans-47.6-30.7-176.6-162.3148.2000114.8E824 F827 Q828 F847 S1088 A1089 L1090E824-L1086 HydrophobicContact CG-CD1 4.28Å; F827-L1086 HydrophobicContact CD1-CD1 3.52Å; F827-L1086 HydrophobicContact CD1-CD2 4.33Å; F827-L1086 HydrophobicContact CE1-CD1 3.62Å; F827-L1086 HydrophobicContact CE1-CD2 3.67Å; F827-L1086 HydrophobicContact CE1-CG 4.29Å; F827-L1086 HydrophobicContact CZ-CD2 4.35Å; Q828-L1086 VanDerWaalsContact OE1-CD1 3.26Å; F847-L1086 HydrophobicContact CE1-CG 4.46Å; L1086-S1088 VanDerWaalsContact C-N 3.26Å; L1086-S1088 PolarHBondContact O-N 3.29Å; L1086-A1089 WeakPolarHBondContact O-CB 3.24Å; L1086-A1089 PolarHBondContact O-N 3.16Å; L1086-A1089 VanDerWaalsContact O-N 3.07Å; L1086-L1090 HydrophobicContact CD2-CD1 3.84Å; L1086-L1090 HydrophobicContact CD2-CG 4.04Å; L1086-L1090 PolarHBondContact O-N 2.99Å
1087L48.6Very low46.8Very low123 Ų12393 Ų9364%0.64449%0.494SS*.Hα-helixtrans-53.9-41.3171.3-125.771.2000113.1N1085 A1089 L1090 D1091N1085-L1087 PolarHBondContact O-N 3.49Å; N1085-L1087 PolarHBondContact OD1-N 2.69Å; N1085-L1087 VanDerWaalsContact OD1-N 3.07Å; L1087-A1089 VanDerWaalsContact C-N 3.34Å; L1087-L1090 PolarHBondContact O-N 3.42Å; L1087-D1091 PolarHBondContact O-N 3.44Å
1088S47.4Very low48.4Very low40 Ų4087.5 Ų87.528%0.2847%0.47SS..Hα-helixtrans-79.6-12.9178.7-60.90000114N1085 L1086 L1092N1085-S1088 WeakPolarHBondContact O-CA 3.3Å; N1085-S1088 WeakPolarHBondContact O-CB 3.45Å; N1085-S1088 PolarHBondContact O-N 3.35Å; L1086-S1088 VanDerWaalsContact C-N 3.26Å; L1086-S1088 PolarHBondContact O-N 3.29Å; S1088-L1092 WeakPolarHBondContact O-CD1 3.3Å; S1088-L1092 WeakPolarHBondContact O-CG 3.41Å
1089A45.3Very low49.9Very low14 Ų1487 Ų8712%0.11646%0.464CS..Hα-helixtrans-81.5-34.8166.400000110.9F847 L1086 L1087 L1092F847-A1089 HydrophobicContact CD1-CB 4.37Å; F847-A1089 HydrophobicContact CE1-CB 3.68Å; F847-A1089 HydrophobicContact CZ-CB 4.36Å; L1086-A1089 WeakPolarHBondContact O-CB 3.24Å; L1086-A1089 PolarHBondContact O-N 3.16Å; L1086-A1089 VanDerWaalsContact O-N 3.07Å; L1087-A1089 VanDerWaalsContact C-N 3.34Å; A1089-L1092 PolarHBondContact O-N 3.19Å
1090L55.8Low51.5Low57 Ų5788.1 Ų88.130%0.29847%0.465SS..Hα-helixtrans-67.4-37.3171.3-64.5173.4000112.2F831 L1086 L1087 L1092 I1093F831-L1090 HydrophobicContact CE1-CD2 4.4Å; F831-L1090 HydrophobicContact CZ-CD2 4.5Å; L1086-L1090 HydrophobicContact CD2-CD1 3.84Å; L1086-L1090 HydrophobicContact CD2-CG 4.04Å; L1086-L1090 PolarHBondContact O-N 2.99Å; L1087-L1090 PolarHBondContact O-N 3.42Å; L1090-L1092 PolarHBondContact O-N 3.23Å; L1090-I1093 HydrophobicContact CD2-CD1 3.9Å; L1090-I1093 PolarHBondContact O-N 2.94Å
1091D58.8Low52.4Low139 Ų13986.2 Ų86.274%0.74346%0.455SS*.THydrogen-bonded Turntrans-64.2-11.5171.2-81.5-27.5000113.9L1087L1087-D1091 PolarHBondContact O-N 3.44Å
1092L56.7Low53.4Low90 Ų9086.8 Ų86.847%0.47145%0.454SS..THydrogen-bonded Turntrans-97-6.3176.3-73.3169.9000113.5L1080 S1088 A1089 L1090 P1094L1080-L1092 HydrophobicContact CD2-CD1 4.33Å; S1088-L1092 WeakPolarHBondContact O-CD1 3.3Å; S1088-L1092 WeakPolarHBondContact O-CG 3.41Å; A1089-L1092 PolarHBondContact O-N 3.19Å; L1090-L1092 PolarHBondContact O-N 3.23Å; L1092-P1094 WeakPolarHBondContact O-CD 3.41Å
1093I61.2Low54.3Low35 Ų3587 Ų8718%0.17945%0.449CS..SBendtrans-76.3123.5174.1-58.3178000108.4L1090 I1097 L1098L1090-I1093 HydrophobicContact CD2-CD1 3.9Å; L1090-I1093 PolarHBondContact O-N 2.94Å; I1093-I1097 HydrophobicContact CG2-CB 4.28Å; I1093-I1097 HydrophobicContact CG2-CG2 4.16Å; I1093-L1098 HydrophobicContact CB-CD1 4.32Å; I1093-L1098 HydrophobicContact CD1-CD1 4.41Å; I1093-L1098 HydrophobicContact CG2-CB 4.1Å; I1093-L1098 HydrophobicContact CG2-CD1 4.06Å
1094P63.4Low54.5Low66 Ų6686.2 Ų86.243%0.42944%0.44SS..  trans-54.7137.8176.1-29.138000112.9L1092 D1096 I1097 L1098L1092-P1094 WeakPolarHBondContact O-CD 3.41Å; P1094-D1096 WeakPolarHBondContact CB-OD1 3.35Å; P1094-D1096 PolarHBondContact O-N 2.79Å; P1094-D1096 VanDerWaalsContact O-N 3.14Å; P1094-I1097 HydrophobicContact CB-CB 4.47Å; P1094-I1097 HydrophobicContact CB-CD1 4.32Å; P1094-I1097 HydrophobicContact CB-CG1 4.29Å; P1094-I1097 HydrophobicContact CG-CD1 4.08Å; P1094-I1097 PolarHBondContact O-N 3.39Å; P1094-I1097 VanDerWaalsContact O-N 3.09Å; P1094-L1098 WeakPolarHBondContact O-CB 3.23Å; P1094-L1098 PolarHBondContact O-N 2.94Å
1095D62Low54.6Low120 Ų12086.8 Ų86.864%0.64245%0.453SS*.Hα-helixtrans-54.7-34.4-176.3-90.2-37.9000112.2I1099D1095-I1099 WeakPolarHBondContact O-CB 3.2Å; D1095-I1099 VanDerWaalsContact O-CD1 3.31Å; D1095-I1099 WeakPolarHBondContact O-CD1 3.42Å; D1095-I1099 WeakPolarHBondContact O-CG1 3.31Å; D1095-I1099 PolarHBondContact O-N 3.05Å
1096D57.6Low54.2Low109 Ų10991.3 Ų91.358%0.58346%0.463SS*.Hα-helixtrans-69.5-45177.358-32.1000112.8P1094 I1099 E1100P1094-D1096 WeakPolarHBondContact CB-OD1 3.35Å; P1094-D1096 PolarHBondContact O-N 2.79Å; P1094-D1096 VanDerWaalsContact O-N 3.14Å; D1096-I1099 PolarHBondContact O-N 3.29Å; D1096-E1100 WeakPolarHBondContact O-CB 3.23Å; D1096-E1100 PolarHBondContact O-N 3.29Å
1097I62.5Low53.2Low50 Ų5094.6 Ų94.626%0.25649%0.493SS..Hα-helixtrans-65.7-41.6173.5-61.7-179.9000110.4L839 I1093 P1094 I1099 E1100 L1101L839-I1097 HydrophobicContact CD2-CG2 4.25Å; I1093-I1097 HydrophobicContact CG2-CB 4.28Å; I1093-I1097 HydrophobicContact CG2-CG2 4.16Å; P1094-I1097 HydrophobicContact CB-CB 4.47Å; P1094-I1097 HydrophobicContact CB-CD1 4.32Å; P1094-I1097 HydrophobicContact CB-CG1 4.29Å; P1094-I1097 HydrophobicContact CG-CD1 4.08Å; P1094-I1097 PolarHBondContact O-N 3.39Å; P1094-I1097 VanDerWaalsContact O-N 3.09Å; I1097-I1099 VanDerWaalsContact C-N 3.33Å; I1097-I1099 PolarHBondContact O-N 3.27Å; I1097-E1100 PolarHBondContact O-N 2.94Å; I1097-L1101 HydrophobicContact CG2-CD1 4.04Å; I1097-L1101 HydrophobicContact CG2-CG 4.45Å; I1097-L1101 WeakPolarHBondContact O-CG 3.17Å; I1097-L1101 PolarHBondContact O-N 2.74Å
1098L62.3Low52.3Low63 Ų6394 Ų9433%0.3350%0.499SS..Hα-helixtrans-61.5-43.4175.5-164.381.1000110.8I1093 P1094 L1102I1093-L1098 HydrophobicContact CB-CD1 4.32Å; I1093-L1098 HydrophobicContact CD1-CD1 4.41Å; I1093-L1098 HydrophobicContact CG2-CB 4.1Å; I1093-L1098 HydrophobicContact CG2-CD1 4.06Å; P1094-L1098 WeakPolarHBondContact O-CB 3.23Å; P1094-L1098 PolarHBondContact O-N 2.94Å; L1098-L1102 HydrophobicContact CG-CD1 4.12Å; L1098-L1102 VanDerWaalsContact O-CB 3.32Å; L1098-L1102 WeakPolarHBondContact O-CB 3.31Å; L1098-L1102 WeakPolarHBondContact O-CD1 3.41Å; L1098-L1102 WeakPolarHBondContact O-CG 3.43Å; L1098-L1102 PolarHBondContact O-N 2.68Å; L1098-L1102 VanDerWaalsContact O-N 3.12Å
1099I63.9Low51.7Low87 Ų8799.9 Ų99.945%0.44653%0.526SS..Hα-helixtrans-67.1-34.8175.3-75.8166.2000111.5D1095 D1096 I1097 L1102 K1103D1095-I1099 WeakPolarHBondContact O-CB 3.2Å; D1095-I1099 VanDerWaalsContact O-CD1 3.31Å; D1095-I1099 WeakPolarHBondContact O-CD1 3.42Å; D1095-I1099 WeakPolarHBondContact O-CG1 3.31Å; D1095-I1099 PolarHBondContact O-N 3.05Å; D1096-I1099 PolarHBondContact O-N 3.29Å; I1097-I1099 VanDerWaalsContact C-N 3.33Å; I1097-I1099 PolarHBondContact O-N 3.27Å; I1099-L1102 CarbonylContact O-C 3Å; I1099-L1102 PolarHBondContact O-N 2.9Å; I1099-K1103 HydrophobicContact CG2-CD 4.12Å; I1099-K1103 HydrophobicContact CG2-CG 4.23Å; I1099-K1103 WeakPolarHBondContact O-CB 3.38Å; I1099-K1103 VanDerWaalsContact O-CG 3.23Å; I1099-K1103 WeakPolarHBondContact O-CG 3.4Å; I1099-K1103 PolarHBondContact O-N 2.82Å
1100E61.3Low51Low145 Ų145110.7 Ų110.768%0.67856%0.564SS**Hα-helixtrans-69.1-43176.1-170.3167.2-179.800112.4D1096 I1097 L1102 K1103D1096-E1100 WeakPolarHBondContact O-CB 3.23Å; D1096-E1100 PolarHBondContact O-N 3.29Å; I1097-E1100 PolarHBondContact O-N 2.94Å; E1100-L1102 PolarHBondContact O-N 3.29Å; E1100-K1103 PolarHBondContact O-N 3.11Å
1101L54.5Low49.8Very low54 Ų54110.9 Ų110.928%0.28358%0.58SS.*Hα-helixtrans-65.6-18.8172.4-67.8170.6000113.4I1097I1097-L1101 HydrophobicContact CG2-CD1 4.04Å; I1097-L1101 HydrophobicContact CG2-CG 4.45Å; I1097-L1101 WeakPolarHBondContact O-CG 3.17Å; I1097-L1101 PolarHBondContact O-N 2.74Å
1102L55.8Low48.3Very low110 Ų110111.2 Ų111.258%0.57658%0.581SS**Hα-helixtrans-104.4-5.1177.9-68.2172.1000114.2L1098 I1099 E1100L1098-L1102 HydrophobicContact CG-CD1 4.12Å; L1098-L1102 VanDerWaalsContact O-CB 3.32Å; L1098-L1102 WeakPolarHBondContact O-CB 3.31Å; L1098-L1102 WeakPolarHBondContact O-CD1 3.41Å; L1098-L1102 WeakPolarHBondContact O-CG 3.43Å; L1098-L1102 PolarHBondContact O-N 2.68Å; L1098-L1102 VanDerWaalsContact O-N 3.12Å; I1099-L1102 CarbonylContact O-C 3Å; I1099-L1102 PolarHBondContact O-N 2.9Å; E1100-L1102 PolarHBondContact O-N 3.29Å
1103K53.7Low46.8Very low124 Ų124112.4 Ų112.454%0.53960%0.595SS.*  trans-74.3141.2-178.9-97.4165.6-1761570111.4I1099 E1100 D1105I1099-K1103 HydrophobicContact CG2-CD 4.12Å; I1099-K1103 HydrophobicContact CG2-CG 4.23Å; I1099-K1103 WeakPolarHBondContact O-CB 3.38Å; I1099-K1103 VanDerWaalsContact O-CG 3.23Å; I1099-K1103 WeakPolarHBondContact O-CG 3.4Å; I1099-K1103 PolarHBondContact O-N 2.82Å; E1100-K1103 PolarHBondContact O-N 3.11Å; K1103-D1105 VanDerWaalsContact C-N 3.35Å
1104E43Very low45.4Very low142 Ų142116.8 Ų116.866%0.66462%0.623SS**  trans-9613.3-171.1-165.8148.7-153.200112.9K815 R1106K815-E1104 IonicContact NZ-OE1 2.85Å; K815-E1104 PolarHBondContact NZ-OE1 3.39Å; K815-E1104 IonicContact NZ-OE2 3.16Å; K815-E1104 PolarHBondContact NZ-OE2 3.38Å; E1104-R1106 PolarHBondContact O-N 2.77Å
1105D42Very low43.7Very low144 Ų144119.2 Ų119.277%0.7764%0.636SS**  trans-94.119-167.7-64-50.8000114.9K1103 A1107K1103-D1105 VanDerWaalsContact C-N 3.35Å; D1105-A1107 PolarHBondContact O-N 3.15Å
1106R34Very low42.2Very low189 Ų189118.3 Ų118.371%0.71364%0.639SS**SBendtrans-79.4102.7164.4-77.2-172.5178.1162.41.4109.3H838 E1104 S1108H838-R1106 PolarHBondContact CE1-NH1 2.95Å; H838-R1106 PolarHBondContact CE1-NH2 2.83Å; H838-R1106 VanDerWaalsContact CE1-NH2 3.35Å; H838-R1106 PolarHBondContact NE2-NH1 3.02Å; H838-R1106 PolarHBondContact NE2-NH2 2.94Å; E1104-R1106 PolarHBondContact O-N 2.77Å; R1106-S1108 PolarHBondContact O-N 3.02Å
1107A28.3Very low40.8Very low86 Ų86118.6 Ų118.671%0.71164%0.64SS**  trans-47.4136.6174.600000111.2D1105 L1109D1105-A1107 PolarHBondContact O-N 3.15Å; A1107-L1109 PolarHBondContact O-N 3.23Å
1108S28.6Very low39.3Very low110 Ų110124.1 Ų124.177%0.76967%0.67SS**  trans-6396.9-169.3-54.40000112.6R1106 W1110R1106-S1108 PolarHBondContact O-N 3.02Å; S1108-W1110 PolarHBondContact O-N 3.06Å
1109L35.7Very low37.7Very low164 Ų164127.3 Ų127.386%0.85969%0.687SS**SBendtrans-62.1-8.7169-111.973.6000113.3A1107A1107-L1109 PolarHBondContact O-N 3.23Å
1110W30.7Very low36.2Very low241 Ų241130.3 Ų130.391%0.91370%0.704SS**  trans-117.862.3179.2-60.995000110.7S1108S1108-W1110 PolarHBondContact O-N 3.06Å
1111G29Very low34.7Very low60 Ų60128.5 Ų128.562%0.61971%0.707SS**  trans-80.4122.9161.300000109.9
1112D28.9Very low33.5Very low146 Ų146137.5 Ų137.578%0.78174%0.738SS**  trans-57.8133.2173.6-99.7-42.1000110.5V1114D1112-V1114 HydrophobicContact CB-CG2 4.27Å; D1112-V1114 PolarHBondContact O-N 3.41Å
1113P25.5Very low32.3Very low115 Ų115137 Ų13775%0.74774%0.744SS**  trans-78.962.8-173.633-37.1000112.6T1115P1113-T1115 PolarHBondContact O-N 3.27Å; P1113-T1115 VanDerWaalsContact O-N 3.13Å
1114V31Very low31Very low127 Ų127136.3 Ų136.377%0.7775%0.754SS**  trans-84.882.9177.2-172.90000110.4D1112 S1116D1112-V1114 HydrophobicContact CB-CG2 4.27Å; D1112-V1114 PolarHBondContact O-N 3.41Å; V1114-S1116 PolarHBondContact O-N 3.18Å
1115T27.1Very low30.4Very low117 Ų117141.2 Ų141.272%0.71877%0.767SS**  trans-72.6115.1173.942.10000111.8P1113P1113-T1115 PolarHBondContact O-N 3.27Å; P1113-T1115 VanDerWaalsContact O-N 3.13Å
1116S29.8Very low29.8Very low101 Ų101138 Ų13871%0.70676%0.76SS**  trans-148.260.1168.6177.20000109.5V1114V1114-S1116 PolarHBondContact O-N 3.18Å
1117I28.9Very low29.4Very low115 Ų115136.3 Ų136.359%0.5976%0.764SS**  44.285.495.3-51.3179.9000111.1
1118N31.7Very low29.3Very low167 Ų167139.2 Ų139.289%0.89377%0.767SS**  trans-116.7107.4152.5-117.2-30.8000106.6
1119N28.7Very low29.1Very low129 Ų129139 Ų13969%0.6977%0.766SS**  trans-76.2135.5-168.1-68.7-54.7000112.1
1120N32.3Very low28.7Very low151 Ų151136.9 Ų136.981%0.80776%0.759SS**  trans-165.3124.2130.4-98.9-35.2000111.7
1121S29.5Very low28.4Very low106 Ų106132.7 Ų132.774%0.74175%0.754SS**  trans36.6129.1150.164.40000119.6
1122R28.7Very low28.2Very low243 Ų243135.2 Ų135.292%0.91776%0.762SS**  cis-173.6147.329.6-150.4173.4-179.4159.9-1.7112.4
1123S31.5Very low28.2Very low100 Ų100132.6 Ų132.670%0.69976%0.761SS**  trans58.485.4151.4-1630000121.4
1124S26.5Very low28.3Very low109 Ų109132.9 Ų132.976%0.76276%0.763SS**  25.3120.1114.1-41.20000121.2
1125R30.6Very low28Very low246 Ų246137.5 Ų137.593%0.92877%0.768SS**  -169.5126.1123.1-102.7171-171.7-143.6-1109.2
1126A28.9Very low28.1Very low77 Ų77140.3 Ų140.364%0.63677%0.773SS**  66.295.79400000112
1127I26.5Very low27.9Very low152 Ų152140.9 Ų140.978%0.77978%0.776SS**  84.3132.762-65.6162.3000111.8
1128N25.3Very low27.7Very low147 Ų147141.7 Ų141.779%0.78678%0.781SS**  trans72.3122-178.5-63.2-12.7000114.2
1129S25.1Very low27.5Very low106 Ų106139 Ų13974%0.74177%0.771SS**  75.8127.376.9-154.80000110.1
1130V25.6Very low27.4Very low119 Ų119141.5 Ų141.572%0.72178%0.778SS**  -169145.173.8151.40000110.5
1131L24.6Very low27.3Very low154 Ų154139.5 Ų139.581%0.80678%0.776SS**  trans26.8166.4149.7-61166.9000124.2
1132S26.1Very low27.3Very low113 Ų113139.6 Ų139.679%0.7977%0.774SS**  trans83.1114.5152.5-57.10000119.2
1133A27.7Very low27.2Very low91 Ų91133.9 Ų133.975%0.75277%0.77SS**  trans-90.2153.5151.500000110.1
1134P28Very low26.9Very low120 Ų120133.4 Ų133.478%0.77977%0.767SS**  trans-102.3122.6141.232.6-24.8000108.1
1135Y24.1Very low26.9Very low225 Ų225135.6 Ų135.688%0.88277%0.768SS**  57.7125.773.1-100.1-82.6000114.8
1136E30.4Very low26.9Very low176 Ų176129.9 Ų129.982%0.82276%0.761SS**  trans-73.5148.9-179.5-58.8171.3122.800111.5
1137C25.1Very low26.7Very low113 Ų113133 Ų13376%0.76477%0.767SS**  trans-152.781.2155.6-1410000112
1138N24.7Very low26.9Very low132 Ų132132.8 Ų132.871%0.70677%0.767SS**  trans67.1159.6132.8-57.5-21.3000122.4
1139T27.6Very low27Very low111 Ų111130.7 Ų130.768%0.68176%0.76SS**  trans65.9103.3156.643.90000119.8
1140E27.4Very low27.2Very low180 Ų180131.7 Ų131.784%0.84176%0.757SS**  60.2107.5123-64.4167.6-143.200119.9
1141S29.2Very low27.4Very low110 Ų110132 Ų13277%0.76976%0.755SS**  163.3143.292.6-163.80000111.2
1142P30.1Very low27.7Very low107 Ų107131.2 Ų131.270%0.69575%0.751SS**  trans-83.5-174.3178.236.1-37.3000113.1
1143C25.8Very low28Very low123 Ų123132.6 Ų132.683%0.83175%0.75SS**  trans78.8148.8176.6-59.70000115.3
1144S26.3Very low28.4Very low90 Ų90135.3 Ų135.363%0.62975%0.751SS**  cis-174.1140.4-15.349.30000111
1145I25.4Very low28.7Very low155 Ų155137.7 Ų137.780%0.79575%0.752SS**  trans57.7136.1148.3-49.9155.8000118.2
1146V30.4Very low29.2Very low127 Ų127133.5 Ų133.577%0.7774%0.743SS**  trans149.8115.4133.3165.70000109
1147D26Very low29.2Very low143 Ų143131.3 Ų131.377%0.76574%0.737SS**  trans-65.4137.7162.8-50.9-95000110.2
1148N29.9Very low29.9Very low146 Ų146133.3 Ų133.378%0.78174%0.74SS**  -159.9152.5121.1-113.8-64.8000117.4
1149T28.2Very low30.3Very low103 Ų103133.5 Ų133.563%0.63274%0.741SS**  trans-46.2160.617757.20000119.3
1150N28.6Very low30.7Very low127 Ų127139.3 Ų139.368%0.67975%0.752SS**  trans80.6117.8144.5-69.7-27.9000121.6
1151N29.9Very low30.8Very low127 Ų127138.2 Ų138.268%0.67975%0.749SS**  67.8113128.9-57.4-21.7000121
1152N31.2Very low31.1Very low136 Ų136137.4 Ų137.473%0.72774%0.741SS**  trans62117130-58.3-9.3000120.5
1153N31.9Very low31.1Very low143 Ų143139.5 Ų139.577%0.76575%0.745SS**  trans78.7169.4140.4-61.6-0.9000119.1
1154D36.6Very low31.3Very low147 Ų147142.5 Ų142.579%0.78674%0.744SS**  trans66.799.5173.5-51.6-21.5000115.8
1155H33.6Very low31.3Very low170 Ų170143 Ų14379%0.78775%0.747SS**  77.7132.265-97.521.7000116
1156I34.6Very low31.7Very low138 Ų138141.8 Ų141.871%0.70875%0.746SS**  trans68.9110.4157-59.4158.6000113.7
1157N31.3Very low31.8Very low130 Ų130142.9 Ų142.970%0.69574%0.743SS**  cis69.691.149.2-172.689000114.5
1158D38.8Very low32.2Very low155 Ų155143.2 Ų143.283%0.82974%0.744SS**  trans-131.5132.1162.7-96.3-43000110.8
1159N34.2Very low32.5Very low135 Ų135142.6 Ų142.672%0.72274%0.741SS**  trans-101.8141.8169.6-80.9-60.3000109
1160Y34.6Very low32.7Very low233 Ų233145.2 Ų145.291%0.91475%0.746SS**  trans-127.4148.4168-123-95.5000112.2
1161M31.2Very low33.1Very low158 Ų158145 Ų14578%0.77875%0.745SS**  trans-127.1-159.9-165.4-64.4-146.286.100111
1162P35.4Very low33.3Very low92 Ų92147.5 Ų147.560%0.59775%0.746SS**  -142.9-169.8-84.647.8-31.5000115.7
1163I28.7Very low33.6Very low151 Ų151147.5 Ų147.577%0.77475%0.746SS**  trans58.4119.6158.5-45.4157.7000118.9
1164K30Very low33.5Very low187 Ų187145.9 Ų145.981%0.81374%0.741SS**  175.7134.6113.2-97.5-162.1175.2-170.10116.8
1165C27.9Very low33.3Very low101 Ų101146.4 Ų146.468%0.68274%0.744SS**  trans49.8130.3142.4-53.40000119.8
1166V33.7Very low33.1Very low129 Ų129147.6 Ų147.678%0.78274%0.743SS**  -156.7151.273.6148.20000111.5
1167E31.4Very low32.9Very low150 Ų150148.3 Ų148.370%0.70175%0.748SS**  trans-77164.4179.5-53.997.413600115.2
1168N35.2Very low32.9Very low149 Ų149147.1 Ų147.180%0.79775%0.747SS**  trans-164.899.8138.1-97.4-46.2000111.1
1169N35.7Very low32.4Very low134 Ų134145.7 Ų145.772%0.71775%0.748SS**  trans53.1112.7153.2-53-3.3000118.2
1170E33.2Very low32.2Very low158 Ų158146.2 Ų146.274%0.73875%0.751SS**  64.5129.356.8-45.6-81.3161.500110.5
1171D36Very low32Very low121 Ų121141.3 Ų141.365%0.64775%0.745SS**  -162.5137.871.1-101.8-2.3000113.1
1172Y34.9Very low32Very low180 Ų180138.4 Ų138.471%0.70674%0.741SS**  trans50.2148.1149.6-52.4-64.1000122.3
1173D36.3Very low31.5Very low137 Ų137138.9 Ų138.973%0.73375%0.747SS**  cis-148152.1-3.2-133.9-22.2000116.1
1174V29.9Very low31.5Very low109 Ų109138.7 Ų138.766%0.66175%0.745SS**  trans-56.3142.2177.9169.10000116.2Y1176V1174-Y1176 HydrophobicContact CG1-CD2 4.44Å
1175N33.8Very low31.4Very low158 Ų158136 Ų13685%0.84574%0.74SS**  -153.5149123.9-145.5-13.1000114.3
1176Y28.8Very low31.4Very low194 Ų194138.7 Ų138.776%0.76175%0.748SS**  trans-100.9138.3-176.3-96.3-121.9000112.5V1174V1174-Y1176 HydrophobicContact CG1-CD2 4.44Å
1177N31.1Very low31.2Very low153 Ų153138.3 Ų138.382%0.81875%0.75SS**  -172.5160.3109.7-106.1-21.6000112.5
1178P29.5Very low31.4Very low105 Ų105138.1 Ų138.168%0.68275%0.753SS**  trans-98.4148.2-159.636.6-36.1000115.6
1179C29.1Very low31.3Very low125 Ų125137.9 Ų137.985%0.84575%0.751SS**  trans-155.4123.8136.4-90.70000109.1
1180D29.5Very low30.9Very low147 Ų147137.1 Ų137.179%0.78675%0.747SS**SBendtrans35.7103.1159.2-56.2-14.9000121.2
1181T31.3Very low30.6Very low129 Ų129139.4 Ų139.479%0.79175%0.75SS**  trans59.7105.5142.753.20000121
1182S30.6Very low30.2Very low97 Ų97140.9 Ų140.968%0.67876%0.756SS**  trans39.1117.5132.557.70000120.2
1183S25.6Very low29.7Very low103 Ų103138 Ų13872%0.7275%0.753SS**  68.9137.352.387.60000114.5
1184I27.9Very low29.1Very low146 Ų146139.3 Ų139.375%0.74975%0.752SS**  cis-161.6147-2.6-124.1167.1000109.8
1185N27.8Very low28.8Very low131 Ų131140.8 Ų140.870%0.70176%0.756SS**  trans61.8153159.5-68.323.5000123.1
1186D27.6Very low28.5Very low158 Ų158137.3 Ų137.385%0.84574%0.74SS**  trans68.246.8153.8-56.8-6000119.8
1187S29.8Very low28.3Very low120 Ų120133.8 Ų133.884%0.83974%0.739SS**SBendtrans-141.9144.7136.5-150.50000110.5
1188I36.1Very low28Very low147 Ų147131.4 Ų131.475%0.75473%0.726SS**  trans-68.7132.1-175.2-72.2169.7000110.8
1189D33.3Very low27.7Very low143 Ų143131.2 Ų131.277%0.76573%0.728SS**  trans23.2100.2154-46.3-26.3000115.3
1190D26.5Very low27.5Very low118 Ų118129.4 Ų129.463%0.63171%0.709SS**  6014552.3-140.7-5.5000114.8
1191W28.1Very low27.2Very low207 Ų207125.3 Ų125.378%0.78469%0.692SS**  trans43.3128.2176.8-68.2-51.2000123.9D1193W1191-D1193 PolarHBondContact O-N 3.37Å; W1191-D1193 VanDerWaalsContact O-N 3.07Å
1192I26.7Very low26.8Very low151 Ų151125 Ų12577%0.77468%0.676SS**  trans-57.698.5137.9-58.5163.2000108.4F1194I1192-F1194 HydrophobicContact CG2-CD2 4.22Å
1193D24.1Very low26.5Very low121 Ų121125.2 Ų125.265%0.64767%0.669SS**  trans-134.7117.7145.6-96.4-38.8000107.6W1191 N1195W1191-D1193 PolarHBondContact O-N 3.37Å; W1191-D1193 VanDerWaalsContact O-N 3.07Å; D1193-N1195 PolarHBondContact O-N 3.11Å
1194F25.1Very low26.4Very low164 Ų164126.7 Ų126.772%0.71967%0.669SS**  52.223.955.2-91.4-91.2000114.5I1192 V1196I1192-F1194 HydrophobicContact CG2-CD2 4.22Å; F1194-V1196 HydrophobicContact CD1-CG2 3.57Å; F1194-V1196 HydrophobicContact CE1-CG2 4.16Å; F1194-V1196 HydrophobicContact CG-CG2 4.42Å; F1194-V1196 WeakPolarHBondContact O-CB 3.47Å
1195N23.5Very low26.5Very low140 Ų140125.4 Ų125.475%0.74967%0.673SS**  trans-75.2109.6134.8-79.3-56.3000107.4D1193D1193-N1195 PolarHBondContact O-N 3.11Å
1196V27.7Very low26.9Very low84 Ų84126 Ų12651%0.50968%0.675SS.*  cis43.555.69.5-1540000114.4F1194F1194-V1196 HydrophobicContact CD1-CG2 3.57Å; F1194-V1196 HydrophobicContact CE1-CG2 4.16Å; F1194-V1196 HydrophobicContact CG-CG2 4.42Å; F1194-V1196 WeakPolarHBondContact O-CB 3.47Å
1197T23.7Very low27.1Very low121 Ų121125.4 Ų125.474%0.74267%0.667SS**  -81.3116.1114.634.30000105.9
1198D24Very low27.3Very low102 Ų102124.2 Ų124.255%0.54565%0.652SS.*  39.295.364.8-80.7-11.1000110.2
1199S24Very low27Very low101 Ų101122.5 Ų122.571%0.70664%0.643SS**  -165.3144.865.2-62.30000109.6
1200I24.2Very low26.9Very low87 Ų87120.8 Ų120.845%0.44663%0.63SS.*  36.8103.384.8-53.5179.1000114.1K1211I1200-K1211 WeakPolarHBondContact CG2-O 3.06Å
1201S23.7Very low27.4Very low62 Ų62121.2 Ų121.243%0.43463%0.627SS.*  trans74.3151.1156.677.70000119.8
1202R22.7Very low27.4Very low123 Ų123120.1 Ų120.146%0.46462%0.622SS.*  trans80.8126.7174.7-53.6122.2168.6-766.6114.9N1208 H1210R1202-N1208 WeakPolarHBondContact CG-O 3.45Å; R1202-H1210 PolarHBondContact NH2-CD2 3.43Å; R1202-H1210 VanDerWaalsContact NH2-CD2 3.28Å
1203L24.6Very low27.6Very low100 Ų100118.5 Ų118.552%0.52462%0.616SS.*  cis63.870.837.2-52.6158.3000113.3N1208L1203-N1208 HydrophobicContact CD1-CB 4.12Å
1204N24.4Very low27.7Very low135 Ų135117.6 Ų117.672%0.72261%0.614SS**  trans-162.6111.8136.9-89.5-29.1000106.8L1206 E1207N1204-L1206 WeakPolarHBondContact OD1-CA 3.23Å; N1204-L1206 PolarHBondContact OD1-N 2.95Å; N1204-E1207 PolarHBondContact OD1-N 2.86Å
1205S29.6Very low27.9Very low118 Ų118114.6 Ų114.683%0.82561%0.613SS**SBendcis-43110.923.359.90000115.8
1206L34.6Very low28Very low145 Ų145112.6 Ų112.676%0.75961%0.611SS**SBendtrans29.7120.1169.8-88.752000119.4N1204N1204-L1206 WeakPolarHBondContact OD1-CA 3.23Å; N1204-L1206 PolarHBondContact OD1-N 2.95Å
1207E31.8Very low27.9Very low144 Ų144113.4 Ų113.467%0.67362%0.62SS**  trans82.883.6152.1-56.2-165.7140.400119.6N1204N1204-E1207 PolarHBondContact OD1-N 2.86Å
1208N34.7Very low28Very low96 Ų96114.8 Ų114.851%0.51362%0.623SS.*  154.2167.3111.8-82.1-58.4000115.3R1202 L1203R1202-N1208 WeakPolarHBondContact CG-O 3.45Å; L1203-N1208 HydrophobicContact CD1-CB 4.12Å
1209L29.1Very low28.2Very low110 Ų110117.5 Ų117.558%0.57664%0.636SS**  trans-105.6178.6-167.6-56.568.5000110.7
1210H33.2Very low28.3Very low107 Ų107119.8 Ų119.850%0.49564%0.64SS.*  cis-167145.111.2-145147.5000111.8R1202R1202-H1210 PolarHBondContact NH2-CD2 3.43Å; R1202-H1210 VanDerWaalsContact NH2-CD2 3.28Å
1211K35.2Very low28.6Very low127 Ų127122.4 Ų122.455%0.55265%0.654SS**  trans65169.3156-82.6155.5-172.4-179.50115.7I1200I1200-K1211 WeakPolarHBondContact CG2-O 3.06Å
1212R29.9Very low28.7Very low184 Ų184123 Ų12369%0.69466%0.658SS**  cis-168.7157.1-41-121.6-170.9-173.41315.9107.7
1213N29.7Very low28.8Very low118 Ų118121.8 Ų121.863%0.63166%0.661SS**  trans63.2122156.1-63.827.1000117.1
1214V27.3Very low29Very low101 Ų101122 Ų12261%0.61266%0.662SS**  85.6141.754.4169.30000113.1
1215S27.6Very low29Very low101 Ų101118 Ų11871%0.70665%0.645SS**  trans97.599172.5-57.10000118.7
1216S26.8Very low28.8Very low99 Ų99119.3 Ų119.369%0.69264%0.643SS**  83.9101115.9-550000121.2
1217S24.7Very low28.4Very low100 Ų100116.9 Ų116.970%0.69964%0.638SS**  72.1144.3118.2-50.60000121.5
1218N25.5Very low28.2Very low150 Ų150115.2 Ų115.280%0.80263%0.634SS**  trans91.6159.1166.6-49.2-64000117
1219L29.1Very low27.8Very low159 Ų159113.6 Ų113.683%0.83264%0.64SS**  trans68.2105.3-179-47.3179.7000113
1220L25.6Very low27.7Very low149 Ų149113.8 Ų113.878%0.7865%0.65SS**  cis67.3131.120.8-128.4-177.1000113.3
1221L30.4Very low27.3Very low143 Ų143115.4 Ų115.475%0.74966%0.662SS**  trans73150.9-172.3-51.7141.8000112.9
1222S26.5Very low26.9Very low74 Ų74114 Ų11452%0.51767%0.669SS.*  cis-164.8176.4-22-104.10000109D1224S1222-D1224 PolarHBondContact O-N 3.13Å
1223D24.8Very low26.8Very low98 Ų98112.5 Ų112.552%0.52468%0.675SS.*  trans-54.9125.9164.3-39.7-84.4000111.2
1224D27.5Very low26.6Very low104 Ų104110.8 Ų110.856%0.55667%0.672SS**  -175123.9122.1-105.3-38000114S1222 N1261S1222-D1224 PolarHBondContact O-N 3.13Å; D1224-N1261 PolarHBondContact OD1-ND2 3.09Å; D1224-N1261 PolarHBondContact OD2-ND2 3.38Å
1225S25.1Very low26.5Very low51 Ų51110.1 Ų110.136%0.35767%0.672SS.*  30.7100.8111.3-36.10000118.7N1259S1225-N1259 VanDerWaalsContact CB-ND2 3.27Å; S1225-N1259 WeakPolarHBondContact CB-ND2 3.45Å; S1225-N1259 PolarHBondContact OG-ND2 3.45Å; S1225-N1259 PolarHBondContact OG-OD1 3.31Å
1226N25Very low26.5Very low146 Ų146116.5 Ų116.578%0.78168%0.681SS**  174.8153.9108.9-92.1-32.2000115
1227S26.8Very low26.5Very low94 Ų94118.5 Ų118.566%0.65768%0.682SS**  trans67.7148.7155.775.60000119.4
1228N27.9Very low26.7Very low108 Ų108119.1 Ų119.158%0.57868%0.683SS**  trans52.7109.6156-56.4-17.3000117.2S180S180-N1228 PolarHBondContact O-ND2 3.37Å
1229G26.2Very low26.7Very low62 Ų62118.5 Ų118.564%0.63968%0.679SS**  cis88.2141.32000000111.3
1230S26.5Very low26.7Very low114 Ų114117.5 Ų117.580%0.79768%0.675SS**  trans65.5153.1-160.490.90000112.9
1231N25.9Very low26.9Very low141 Ų141117.1 Ų117.175%0.75467%0.673SS**  cis-166.9171.7-27.4-114.6-17.7000107.6
1232S26.8Very low26.9Very low99 Ų99116.1 Ų116.169%0.69267%0.667SS**  trans63.1154.3156.843.60000117.3
1233N26.6Very low27Very low151 Ų151119.3 Ų119.381%0.80767%0.673SS**  cis-162.2160.8-13.7-104.1-11.2000106.3
1234S26.4Very low27.1Very low83 Ų83121.6 Ų121.658%0.5868%0.681SS**  cis-172.9156.3-5.641.60000109.5
1235S25.3Very low27.1Very low86 Ų86122.9 Ų122.960%0.60169%0.692SS**  trans64.9149.4149.1650000118.2
1236W28Very low27.1Very low236 Ų236132.2 Ų132.289%0.89472%0.72SS**  cis-128.1154.818.4-75.976.8000114.5
1237I26.6Very low27.2Very low140 Ų140130 Ų13072%0.71872%0.716SS**  trans-123.7137.2177.2-71.2160.2000104.6
1238P28.5Very low27.2Very low113 Ų113131.7 Ų131.773%0.73473%0.728SS**  -153.4130.999.135.7-14.5000118.4
1239L25.9Very low27.1Very low137 Ų137130.5 Ų130.572%0.71773%0.733SS**  39.4129122.5-65.6149.2000120.4
1240N28.3Very low27.3Very low139 Ų139136.1 Ų136.174%0.74375%0.746SS**  -174.6130.899-89.1-38.3000113.4
1241L30.1Very low27.3Very low140 Ų140134.8 Ų134.873%0.73374%0.742SS**  trans48.5139.2142.5-77.162.8000120.3
1242I29.4Very low27.3Very low122 Ų122135 Ų13563%0.62674%0.743SS**  cis-165.9143.4-0.7-127169.7000110.8
1243H29.1Very low27.5Very low141 Ų141139.3 Ų139.365%0.65375%0.753SS**  trans56.4144.7156.7-59.3177.1000121
1244H27.9Very low27.6Very low147 Ų147140.4 Ų140.468%0.68175%0.75SS**  cis-161.4154.6-10.4-107.5-34.9000112
1245T27.2Very low27.6Very low130 Ų130143.6 Ų143.680%0.79876%0.76SS**  trans58.671.6160.152.60000118.8
1246W25.4Very low27.7Very low248 Ų248144.7 Ų144.794%0.93977%0.768SS**  trans-110.2168.4137.2-98.342.2000109
1247S26.8Very low27.5Very low100 Ų100140.3 Ų140.370%0.69976%0.762SS**  trans56.586.8159.6-54.30000119.1
1248S25.6Very low27.7Very low128 Ų128138.8 Ų138.890%0.89576%0.763SS**  trans-159.454.5155.9-820000113.3
1249A27.1Very low27.6Very low84 Ų84136.9 Ų136.969%0.69475%0.747SS**SBendtrans-152.6147.2160.900000108A1251A1249-A1251 VanDerWaalsContact C-N 3.29Å; A1249-A1251 PolarHBondContact O-N 3.32Å
1250I29.4Very low27.7Very low179 Ų179141.6 Ų141.692%0.91876%0.757SS**SBendtrans5640.3-173.7-34.1-179.3000113.3
1251A27.5Very low27.8Very low86 Ų86137.6 Ų137.671%0.71174%0.736SS**SBendtrans-136.430.6166.300000111.2A1249A1249-A1251 VanDerWaalsContact C-N 3.29Å; A1249-A1251 PolarHBondContact O-N 3.32Å
1252N26.5Very low27.8Very low145 Ų145137.8 Ų137.878%0.77574%0.738SS**  trans-160.452.9-178.3-122.6-20000112.9
1253E30.1Very low27.9Very low191 Ų191135.3 Ų135.389%0.89373%0.725SS**  trans-114.795153.2-159.5164.7-126.900106.9
1254K28.8Very low28Very low174 Ų174135 Ų13576%0.75773%0.728SS**  trans-65.2142.1178.2-72.9-179.8175.1179.70108.9S1256K1254-S1256 PolarHBondContact O-N 2.92Å
1255L26Very low28.1Very low150 Ų150134.4 Ų134.479%0.78573%0.729SS**  trans-59.2107.1158-89.267000107.9N1257L1255-N1257 VanDerWaalsContact C-N 3.29Å; L1255-N1257 PolarHBondContact O-N 3.37Å
1256S27.3Very low28.3Very low109 Ų109134.5 Ų134.576%0.76273%0.729SS**  trans-75.585.1167.9550000108.5K1254 S1258K1254-S1256 PolarHBondContact O-N 2.92Å; S1256-S1258 PolarHBondContact O-N 3.01Å; S1256-S1258 VanDerWaalsContact O-N 3.12Å
1257N25Very low28.4Very low144 Ų144128.8 Ų128.877%0.7772%0.717SS**  trans-59.3113.3165.8-8511.4000108.9L1255L1255-N1257 VanDerWaalsContact C-N 3.29Å; L1255-N1257 PolarHBondContact O-N 3.37Å
1258S29.2Very low28.5Very low107 Ų107131.6 Ų131.675%0.74872%0.724SS**  trans-142.9100.5161.361.40000108.6S1256S1256-S1258 PolarHBondContact O-N 3.01Å; S1256-S1258 VanDerWaalsContact O-N 3.12Å
1259N26.5Very low28.6Very low73 Ų73134.3 Ų134.339%0.3972%0.72SS.*  trans-45149.9-176.7-26.2-38000113.4S1225S1225-N1259 VanDerWaalsContact CB-ND2 3.27Å; S1225-N1259 WeakPolarHBondContact CB-ND2 3.45Å; S1225-N1259 PolarHBondContact OG-ND2 3.45Å; S1225-N1259 PolarHBondContact OG-OD1 3.31Å
1260Y29.4Very low28.6Very low237 Ų237137.5 Ų137.593%0.92973%0.726SS**  -161.8133.9126.5-99.4-62.3000110.1
1261N29.9Very low28.6Very low55 Ų55136.6 Ų136.629%0.29472%0.718SS.*  trans-100.9136.1-162.9-51.1-53.4000112D1224D1224-N1261 PolarHBondContact OD1-ND2 3.09Å; D1224-N1261 PolarHBondContact OD2-ND2 3.38Å
1262N30.2Very low28.6Very low144 Ų144143.3 Ų143.377%0.7772%0.724SS**  -17697.7117.7-105-79.6000113.3
1263I31.2Very low28.7Very low70 Ų70141.9 Ų141.936%0.35971%0.713SS.*  36.8112.6129.4-54.3170.3000117.7L1265I1263-L1265 HydrophobicContact CG2-CD1 4.38Å
1264N31.3Very low28.8Very low133 Ų133140.9 Ų140.971%0.71171%0.706SS**  -159.7104.5119.5-100.7-64.7000110.9K23K23-N1264 PolarHBondContact NZ-OD1 3.26Å
1265L30.7Very low28.8Very low136 Ų136138.4 Ų138.471%0.71270%0.701SS**  trans-66.3140.1-177.3-75.660.6000113.3I1263I1263-L1265 HydrophobicContact CG2-CD1 4.38Å
1266V30Very low29Very low132 Ų132134.8 Ų134.880%0.869%0.687SS**  -141.2130.1118-178.80000109.1
1267N27Very low29.5Very low127 Ų127130.2 Ų130.268%0.67966%0.655SS**  trans-4.1109.1166.6-50.9-32.1000118.9
1268D30.6Very low29.7Very low159 Ų159127.3 Ų127.385%0.8563%0.633SS**  trans-157.1123.1133.6-128.9-20.1000110.8
1269F26.7Very low30.3Very low186 Ų186129.7 Ų129.782%0.81663%0.626SS**  trans-138.3137.2178.9-99.4-87000109.7
1270N27.3Very low30.8Very low151 Ų151128 Ų12881%0.80762%0.618SS**SBendtrans77.344.1168.5-54.9-23.1000118.9
1271Q29.7Very low31.1Very low160 Ų160117.8 Ų117.875%0.74858%0.579SS**  trans-130.1115.5145.1-70.4-166.80.600111.3H1273Q1271-H1273 VanDerWaalsContact C-N 3.35Å; Q1271-H1273 PolarHBondContact O-N 3.06Å
1272R27.3Very low31.5Very low226 Ų226117.8 Ų117.885%0.85358%0.584SS**  trans-78.382.1177.2-68.9-171.9-176.1-173.12.3110.4F1274R1272-F1274 PolarHBondContact O-N 3.45Å
1273H29.2Very low31.9Very low116 Ų116113.7 Ų113.754%0.53756%0.562SS.*  trans-6687.2175.7-93.3-112000112.4Q1271 N1275Q1271-H1273 VanDerWaalsContact C-N 3.35Å; Q1271-H1273 PolarHBondContact O-N 3.06Å; H1273-N1275 VanDerWaalsContact C-N 3.3Å; H1273-N1275 PolarHBondContact O-N 2.84Å
1274F31.1Very low32.2Very low170 Ų170110.6 Ų110.675%0.74655%0.546SS*.  trans-67.293.4156.7-78.6-81.5000108.6R1272 C1276R1272-F1274 PolarHBondContact O-N 3.45Å; F1274-C1276 PolarHBondContact O-N 2.84Å
1275N30.1Very low32.5Very low121 Ų121105.2 Ų105.265%0.64752%0.518SS*.  trans-73.276.9172.8-77.3-22.8000109.9H1273H1273-N1275 VanDerWaalsContact C-N 3.3Å; H1273-N1275 PolarHBondContact O-N 2.84Å
1276C29.2Very low32.8Very low75 Ų75101.6 Ų101.651%0.50751%0.508SS..  trans-89.8165171.2-110.40000111.7F1274 R1278F1274-C1276 PolarHBondContact O-N 2.84Å; C1276-R1278 VanDerWaalsContact O-CG 3.24Å; C1276-R1278 WeakPolarHBondContact O-CG 3.23Å; C1276-R1278 PolarHBondContact O-N 3.45Å
1277P38Very low33.2Very low13 Ų1396 Ų968%0.08448%0.475CS..  trans-68.4103-162.3-2437.8000114P775 V776 D777 I1281P775-P1277 WeakPolarHBondContact O-CB 3.34Å; V776-P1277 HydrophobicContact CB-CG 4.37Å; V776-P1277 HydrophobicContact CG1-CG 3.93Å; D777-P1277 HydrophobicContact CB-CB 4.19Å; D777-P1277 HydrophobicContact CB-CG 3.83Å; D777-P1277 VanDerWaalsContact OD2-CA 3.27Å; D777-P1277 WeakPolarHBondContact OD2-CA 3.22Å; P1277-I1281 HydrophobicContact CB-CD1 4.1Å; P1277-I1281 HydrophobicContact CG-CD1 4.45Å
1278R30Very low33.8Very low82 Ų8291.7 Ų91.731%0.30945%0.452SS..  trans-77.8135.2-169.2-61.4-168.2179-128.9-3.3111.7C817 Q818 C1276C817-R1278 PolarHBondContact O-NH1 3.25Å; Q818-R1278 HydrophobicContact CB-CB 3.82Å; Q818-R1278 HydrophobicContact CB-CG 3.91Å; Q818-R1278 HydrophobicContact CG-CB 4.38Å; C1276-R1278 VanDerWaalsContact O-CG 3.24Å; C1276-R1278 WeakPolarHBondContact O-CG 3.23Å; C1276-R1278 PolarHBondContact O-N 3.45Å
1279R41Very low34.4Very low157 Ų15786 Ų8659%0.59242%0.421SS*.SBendtrans93.8-15.2167.5-52.5176.1173.4-153.3-5.2120.4I758 Q818I758-R1279 HydrophobicContact CG2-CB 3.45Å; I758-R1279 VanDerWaalsContact CG2-CB 3.45Å; Q818-R1279 HydrophobicContact CG-CG 4.05Å
1280V37Very low35.1Very low38 Ų3883 Ų8323%0.2341%0.413CS..SBendtrans-107-17.1-173.4-1630000114.7I758 P775I758-V1280 HydrophobicContact CB-CG2 4.44Å; I758-V1280 HydrophobicContact CG1-CG2 4.15Å; I758-V1280 HydrophobicContact CG2-CG2 4.21Å; P775-V1280 HydrophobicContact CB-CB 3.69Å; P775-V1280 HydrophobicContact CB-CG1 3.65Å
1281I36.5Very low36Very low22 Ų2277.9 Ų77.911%0.11339%0.388CS..Hα-helixtrans-91.2-25.5-164.7-59.5169.8000114.2P775 I820 P1277 L1284 T1285P775-I1281 HydrophobicContact CB-CG1 3.76Å; P775-I1281 HydrophobicContact CG-CG1 3.95Å; I820-I1281 HydrophobicContact CD1-CB 3.67Å; I820-I1281 HydrophobicContact CD1-CD1 3.69Å; I820-I1281 HydrophobicContact CD1-CG1 4.21Å; I820-I1281 HydrophobicContact CD1-CG2 3.82Å; P1277-I1281 HydrophobicContact CB-CD1 4.1Å; P1277-I1281 HydrophobicContact CG-CD1 4.45Å; I1281-L1284 PolarHBondContact O-N 2.97Å; I1281-T1285 WeakPolarHBondContact O-CB 3.47Å; I1281-T1285 PolarHBondContact O-N 2.95Å; I1281-T1285 PolarHBondContact O-OG1 3.29Å
1282S37.7Very low36.5Very low56 Ų5673 Ų7339%0.39237%0.367SS..Hα-helixtrans-64.2-59.4-177.948.70000112.7L1284 T1285 A1286S1282-L1284 PolarHBondContact O-N 2.75Å; S1282-T1285 WeakPolarHBondContact O-CB 3.13Å; S1282-T1285 PolarHBondContact O-N 3.48Å; S1282-T1285 VanDerWaalsContact O-N 3.16Å; S1282-A1286 PolarHBondContact O-N 3.39Å
1283D39Very low37.5Very low57 Ų5764.4 Ų64.431%0.30534%0.34SS..Hα-helixtrans-55.2-37.8174.7-81.2-4000111.9S759 G760 V761 A1287S759-D1283 PolarHBondContact OG-OD2 3.35Å; G760-D1283 PolarHBondContact N-OD2 3.16Å; V761-D1283 PolarHBondContact N-OD2 3.45Å; D1283-A1287 WeakPolarHBondContact O-CB 3.4Å; D1283-A1287 PolarHBondContact O-N 2.9Å
1284L37.6Very low38.2Very low6 Ų662.9 Ų62.93%0.03133%0.333CS..Hα-helixtrans-70.6-37.9-179.1-170.770.4000112A763 P775 L789 L793 I1281 S1282 A1287 L1288A763-L1284 HydrophobicContact CB-CD1 4.2Å; P775-L1284 HydrophobicContact CB-CD2 4.37Å; P775-L1284 HydrophobicContact CG-CD2 3.68Å; L789-L1284 HydrophobicContact CD2-CD1 3.85Å; L789-L1284 HydrophobicContact CD2-CD2 3.91Å; L789-L1284 HydrophobicContact CG-CD2 4.39Å; L793-L1284 HydrophobicContact CD1-CD2 3.86Å; I1281-L1284 PolarHBondContact O-N 2.97Å; S1282-L1284 PolarHBondContact O-N 2.75Å; L1284-A1287 PolarHBondContact O-N 2.98Å; L1284-L1288 HydrophobicContact CD1-CD1 4.02Å; L1284-L1288 HydrophobicContact CD1-CD2 4.44Å; L1284-L1288 HydrophobicContact CD1-CG 3.99Å; L1284-L1288 HydrophobicContact CD2-CD1 4.08Å; L1284-L1288 HydrophobicContact CG-CD1 3.74Å; L1284-L1288 HydrophobicContact CG-CG 4.02Å; L1284-L1288 WeakPolarHBondContact O-CB 3.22Å; L1284-L1288 WeakPolarHBondContact O-CG 3.3Å; L1284-L1288 PolarHBondContact O-N 3.03Å
1285T37.6Very low39Very low19 Ų1962.4 Ų62.412%0.11733%0.326CS..Hα-helixtrans-58.8-57178.2-67.80000111I809 I1281 S1282 A1287 L1288 I1289I809-T1285 HydrophobicContact CB-CG2 3.73Å; I809-T1285 HydrophobicContact CG2-CG2 4.4Å; I1281-T1285 WeakPolarHBondContact O-CB 3.47Å; I1281-T1285 PolarHBondContact O-N 2.95Å; I1281-T1285 PolarHBondContact O-OG1 3.29Å; S1282-T1285 WeakPolarHBondContact O-CB 3.13Å; S1282-T1285 PolarHBondContact O-N 3.48Å; S1282-T1285 VanDerWaalsContact O-N 3.16Å; T1285-A1287 PolarHBondContact O-N 3.06Å; T1285-A1287 VanDerWaalsContact O-N 3.11Å; T1285-L1288 PolarHBondContact O-N 3.47Å; T1285-I1289 HydrophobicContact CG2-CD1 3.7Å; T1285-I1289 WeakPolarHBondContact O-CG1 3.48Å; T1285-I1289 PolarHBondContact O-N 3.46Å; T1285-I1289 VanDerWaalsContact O-N 3.13Å
1286A36.3Very low39.8Very low60 Ų6064.5 Ų64.550%0.49633%0.325SS..Hα-helixtrans-55.9-33.6-179.600000112.1S1282 L1290S1282-A1286 PolarHBondContact O-N 3.39Å; A1286-L1290 WeakPolarHBondContact O-CG 3.43Å
1287A38.9Very low40.7Very low15 Ų1564.7 Ų64.712%0.12432%0.32CS..Hα-helixtrans-99.8-7.6-172.400000116.1L764 R786 D1283 L1284 T1285L764-A1287 HydrophobicContact CD1-CB 3.3Å; L764-A1287 HydrophobicContact CD2-CB 3.23Å; L764-A1287 HydrophobicContact CG-CB 3.85Å; R786-A1287 PolarHBondContact NH2-O 3.04Å; D1283-A1287 WeakPolarHBondContact O-CB 3.4Å; D1283-A1287 PolarHBondContact O-N 2.9Å; L1284-A1287 PolarHBondContact O-N 2.98Å; T1285-A1287 PolarHBondContact O-N 3.06Å; T1285-A1287 VanDerWaalsContact O-N 3.11Å
1288L38.9Very low41.3Very low36 Ų3668.7 Ų68.719%0.18834%0.336CS..Hα-helixtrans-90.8-35.5164.6-70.7-177.1000111.3R786 L793 L1284 T1285R786-L1288 HydrophobicContact CB-CD2 4.44Å; L793-L1288 HydrophobicContact CD1-CD1 3.93Å; L1284-L1288 HydrophobicContact CD1-CD1 4.02Å; L1284-L1288 HydrophobicContact CD1-CD2 4.44Å; L1284-L1288 HydrophobicContact CD1-CG 3.99Å; L1284-L1288 HydrophobicContact CD2-CD1 4.08Å; L1284-L1288 HydrophobicContact CG-CD1 3.74Å; L1284-L1288 HydrophobicContact CG-CG 4.02Å; L1284-L1288 WeakPolarHBondContact O-CB 3.22Å; L1284-L1288 WeakPolarHBondContact O-CG 3.3Å; L1284-L1288 PolarHBondContact O-N 3.03Å; T1285-L1288 PolarHBondContact O-N 3.47Å
1289I43.1Very low42Very low39 Ų3967.7 Ų67.720%0.235%0.346CS..Hα-helixtrans-67.5-57.3-177.4-68.3174.7000111.4V806 T1285 D1292 V1293V806-I1289 HydrophobicContact CG1-CG1 4.49Å; V806-I1289 HydrophobicContact CG1-CG2 3.87Å; T1285-I1289 HydrophobicContact CG2-CD1 3.7Å; T1285-I1289 WeakPolarHBondContact O-CG1 3.48Å; T1285-I1289 PolarHBondContact O-N 3.46Å; T1285-I1289 VanDerWaalsContact O-N 3.13Å; I1289-D1292 PolarHBondContact O-N 3.3Å; I1289-V1293 HydrophobicContact CG2-CG2 3.75Å; I1289-V1293 WeakPolarHBondContact O-CB 3.48Å; I1289-V1293 VanDerWaalsContact O-CG2 3.26Å; I1289-V1293 WeakPolarHBondContact O-CG2 3.25Å; I1289-V1293 PolarHBondContact O-N 2.8Å
1290L40.6Very low42.2Very low125 Ų12562.8 Ų62.865%0.65434%0.336SS*.Hα-helixtrans-55.5-48.1-168.7-66.3170.7000114.7A1286 E1294A1286-L1290 WeakPolarHBondContact O-CG 3.43Å; L1290-E1294 WeakPolarHBondContact O-CB 3.31Å; L1290-E1294 PolarHBondContact O-N 2.94Å
1291P46.6Very low42.5Very low43 Ų4364.5 Ų64.528%0.27934%0.343SS..Hα-helixtrans-75.5-28.9-175.3-15.832.3000114R1295P1291-R1295 WeakPolarHBondContact O-CB 3.26Å; P1291-R1295 WeakPolarHBondContact O-CG 3.44Å; P1291-R1295 PolarHBondContact O-N 2.87Å
1292D41.4Very low42.9Very low57 Ų5767.7 Ų67.731%0.30537%0.367SS..Hα-helixtrans-88.7-27.1179.4-101.111.5000113I1289 R1295 R1296I1289-D1292 PolarHBondContact O-N 3.3Å; D1292-R1295 PolarHBondContact O-N 2.94Å; D1292-R1295 IonicContact OD1-CZ 2.65Å; D1292-R1295 IonicContact OD1-NE 3.12Å; D1292-R1295 PolarHBondContact OD1-NE 3.07Å; D1292-R1295 IonicContact OD1-NH2 2.65Å; D1292-R1295 PolarHBondContact OD1-NH2 3.04Å; D1292-R1296 VanDerWaalsContact O-CB 3.23Å; D1292-R1296 WeakPolarHBondContact O-CB 3.43Å; D1292-R1296 VanDerWaalsContact O-CG 3.23Å; D1292-R1296 WeakPolarHBondContact O-CG 3.38Å; D1292-R1296 PolarHBondContact O-N 2.96Å
1293V47Very low43.4Very low45 Ų4567.9 Ų67.927%0.27337%0.372SS..Hα-helixtrans-62-47.8161.9172.60000109.9V806 I1289 R1295 R1296 L1297V806-V1293 HydrophobicContact CB-CG2 4.47Å; V806-V1293 HydrophobicContact CG1-CG2 3.8Å; V806-V1293 HydrophobicContact CG2-CG2 3.94Å; I1289-V1293 HydrophobicContact CG2-CG2 3.75Å; I1289-V1293 WeakPolarHBondContact O-CB 3.48Å; I1289-V1293 VanDerWaalsContact O-CG2 3.26Å; I1289-V1293 WeakPolarHBondContact O-CG2 3.25Å; I1289-V1293 PolarHBondContact O-N 2.8Å; V1293-R1295 VanDerWaalsContact C-N 3.34Å; V1293-R1295 PolarHBondContact O-N 3.11Å; V1293-R1296 PolarHBondContact O-N 3.21Å; V1293-L1297 HydrophobicContact CG1-CD1 3.75Å; V1293-L1297 HydrophobicContact CG1-CG 4.39Å; V1293-L1297 VanDerWaalsContact O-CB 3.3Å; V1293-L1297 WeakPolarHBondContact O-CB 3.46Å; V1293-L1297 PolarHBondContact O-N 3.05Å
1294E44.8Very low43.6Very low85 Ų8569.4 Ų69.440%0.39738%0.383SS..Hα-helixtrans-59.1-42.8176.6-168-166.5-170.100111.9L1290 K1298L1290-E1294 WeakPolarHBondContact O-CB 3.31Å; L1290-E1294 PolarHBondContact O-N 2.94Å; E1294-K1298 VanDerWaalsContact CD-NZ 3.29Å; E1294-K1298 HydrophobicContact CG-CD 4.2Å; E1294-K1298 VanDerWaalsContact O-CB 3.31Å; E1294-K1298 WeakPolarHBondContact O-CB 3.4Å; E1294-K1298 VanDerWaalsContact O-CG 3.24Å; E1294-K1298 WeakPolarHBondContact O-CG 3.32Å; E1294-K1298 PolarHBondContact O-N 2.82Å; E1294-K1298 WeakPolarHBondContact OE1-CE 3.39Å; E1294-K1298 IonicContact OE1-NZ 2.84Å; E1294-K1298 PolarHBondContact OE1-NZ 3.11Å
1295R48.2Very low43.8Very low160 Ų16076 Ų7660%0.60441%0.414SS*.Hα-helixtrans-69.8-40.6176.9-76.8-170.1-70.1-138.74.3113.4P1291 D1292 V1293 K1298 A1299P1291-R1295 WeakPolarHBondContact O-CB 3.26Å; P1291-R1295 WeakPolarHBondContact O-CG 3.44Å; P1291-R1295 PolarHBondContact O-N 2.87Å; D1292-R1295 PolarHBondContact O-N 2.94Å; D1292-R1295 IonicContact OD1-CZ 2.65Å; D1292-R1295 IonicContact OD1-NE 3.12Å; D1292-R1295 PolarHBondContact OD1-NE 3.07Å; D1292-R1295 IonicContact OD1-NH2 2.65Å; D1292-R1295 PolarHBondContact OD1-NH2 3.04Å; V1293-R1295 VanDerWaalsContact C-N 3.34Å; V1293-R1295 PolarHBondContact O-N 3.11Å; R1295-K1298 PolarHBondContact O-N 3.31Å; R1295-A1299 WeakPolarHBondContact O-CB 3.48Å; R1295-A1299 PolarHBondContact O-N 2.75Å
1296R47.1Very low43.6Very low164 Ų16480.6 Ų80.662%0.61944%0.442SS*.Hα-helixtrans-73.5-34.1179.4-70.2175.275.7174.31.8111.9D1292 V1293 A1299 S1300D1292-R1296 VanDerWaalsContact O-CB 3.23Å; D1292-R1296 WeakPolarHBondContact O-CB 3.43Å; D1292-R1296 VanDerWaalsContact O-CG 3.23Å; D1292-R1296 WeakPolarHBondContact O-CG 3.38Å; D1292-R1296 PolarHBondContact O-N 2.96Å; V1293-R1296 PolarHBondContact O-N 3.21Å; R1296-A1299 PolarHBondContact O-N 2.64Å; R1296-S1300 WeakPolarHBondContact O-CB 3.43Å; R1296-S1300 PolarHBondContact O-N 2.83Å; R1296-S1300 PolarHBondContact O-OG 2.91Å
1297L47.7Very low43.4Very low79 Ų7983.4 Ų83.441%0.41445%0.453SS..Hα-helixtrans-65-47.7167.7-80.9168.8000111.5V1293 A1299 S1300 I1301V1293-L1297 HydrophobicContact CG1-CD1 3.75Å; V1293-L1297 HydrophobicContact CG1-CG 4.39Å; V1293-L1297 VanDerWaalsContact O-CB 3.3Å; V1293-L1297 WeakPolarHBondContact O-CB 3.46Å; V1293-L1297 PolarHBondContact O-N 3.05Å; L1297-A1299 PolarHBondContact O-N 2.65Å; L1297-S1300 WeakPolarHBondContact CA-OG 3.43Å; L1297-S1300 PolarHBondContact O-N 3.04Å; L1297-S1300 PolarHBondContact O-OG 3.37Å; L1297-S1300 VanDerWaalsContact O-OG 3.12Å; L1297-I1301 HydrophobicContact CB-CD1 4.3Å; L1297-I1301 VanDerWaalsContact O-CB 3.25Å; L1297-I1301 WeakPolarHBondContact O-CB 3.33Å; L1297-I1301 WeakPolarHBondContact O-CD1 3.4Å; L1297-I1301 WeakPolarHBondContact O-CG1 3.39Å; L1297-I1301 PolarHBondContact O-N 3.13Å
1298K51.5Low42.9Very low97 Ų9788.1 Ų88.142%0.42248%0.481SS..Hα-helixtrans-59.9-33.6175.3-76.3173.2-176.1174.80112.2E1294 R1295 S1302E1294-K1298 VanDerWaalsContact CD-NZ 3.29Å; E1294-K1298 HydrophobicContact CG-CD 4.2Å; E1294-K1298 VanDerWaalsContact O-CB 3.31Å; E1294-K1298 WeakPolarHBondContact O-CB 3.4Å; E1294-K1298 VanDerWaalsContact O-CG 3.24Å; E1294-K1298 WeakPolarHBondContact O-CG 3.32Å; E1294-K1298 PolarHBondContact O-N 2.82Å; E1294-K1298 WeakPolarHBondContact OE1-CE 3.39Å; E1294-K1298 IonicContact OE1-NZ 2.84Å; E1294-K1298 PolarHBondContact OE1-NZ 3.11Å; R1295-K1298 PolarHBondContact O-N 3.31Å; K1298-S1302 WeakPolarHBondContact O-CB 3.43Å; K1298-S1302 PolarHBondContact O-N 3.34Å; K1298-S1302 VanDerWaalsContact O-N 3.13Å; K1298-S1302 PolarHBondContact O-OG 3.01Å
1299A43.6Very low42.5Very low61 Ų6190.2 Ų90.250%0.50450%0.498SS..Hα-helixtrans-72.3-44.7173.700000113R1295 R1296 L1297 S1302 A1303R1295-A1299 WeakPolarHBondContact O-CB 3.48Å; R1295-A1299 PolarHBondContact O-N 2.75Å; R1296-A1299 PolarHBondContact O-N 2.64Å; L1297-A1299 PolarHBondContact O-N 2.65Å; A1299-S1302 PolarHBondContact O-N 2.77Å; A1299-A1303 PolarHBondContact O-N 2.92Å; A1299-A1303 VanDerWaalsContact O-N 3.07Å
1300S44.9Very low41.9Very low55 Ų5595 Ų9539%0.38553%0.529SS..Hα-helixtrans-68.5-44.6179.664.70000111.9R1296 L1297 S1302 A1303 T1304R1296-S1300 WeakPolarHBondContact O-CB 3.43Å; R1296-S1300 PolarHBondContact O-N 2.83Å; R1296-S1300 PolarHBondContact O-OG 2.91Å; L1297-S1300 WeakPolarHBondContact CA-OG 3.43Å; L1297-S1300 PolarHBondContact O-N 3.04Å; L1297-S1300 PolarHBondContact O-OG 3.37Å; L1297-S1300 VanDerWaalsContact O-OG 3.12Å; S1300-S1302 VanDerWaalsContact C-N 3.31Å; S1300-S1302 PolarHBondContact O-N 3.2Å; S1300-A1303 CarbonylContact O-C 3.59Å; S1300-A1303 WeakPolarHBondContact O-CA 3.34Å; S1300-A1303 WeakPolarHBondContact O-CB 3.29Å; S1300-A1303 PolarHBondContact O-N 3.33Å; S1300-T1304 PolarHBondContact O-N 3.09Å; S1300-T1304 PolarHBondContact O-OG1 2.83Å
1301I44.6Very low41.4Very low74 Ų7495.7 Ų95.738%0.37953%0.534SS..Hα-helixtrans-60-41173.7-64.9166.3000110.5L1297 A1303 T1304 H1305L1297-I1301 HydrophobicContact CB-CD1 4.3Å; L1297-I1301 VanDerWaalsContact O-CB 3.25Å; L1297-I1301 WeakPolarHBondContact O-CB 3.33Å; L1297-I1301 WeakPolarHBondContact O-CD1 3.4Å; L1297-I1301 WeakPolarHBondContact O-CG1 3.39Å; L1297-I1301 PolarHBondContact O-N 3.13Å; I1301-A1303 PolarHBondContact O-N 3.33Å; I1301-T1304 PolarHBondContact O-OG1 3.31Å; I1301-H1305 WeakPolarHBondContact CG2-NE2 3.23Å; I1301-H1305 PolarHBondContact O-CD2 3.2Å; I1301-H1305 PolarHBondContact O-N 3.39Å
1302S44.9Very low40.8Very low89 Ų89101.5 Ų101.562%0.62256%0.557SS**Hα-helixtrans-67.6-19.3174.2-62.40000113.9K1298 A1299 S1300K1298-S1302 WeakPolarHBondContact O-CB 3.43Å; K1298-S1302 PolarHBondContact O-N 3.34Å; K1298-S1302 VanDerWaalsContact O-N 3.13Å; K1298-S1302 PolarHBondContact O-OG 3.01Å; A1299-S1302 PolarHBondContact O-N 2.77Å; S1300-S1302 VanDerWaalsContact C-N 3.31Å; S1300-S1302 PolarHBondContact O-N 3.2Å
1303A46.6Very low40.4Very low59 Ų59105.5 Ų105.549%0.48858%0.578SS.*Hα-helixtrans-90.6-46.5176.300000112A1299 S1300 I1301 H1305 T1306A1299-A1303 PolarHBondContact O-N 2.92Å; A1299-A1303 VanDerWaalsContact O-N 3.07Å; S1300-A1303 CarbonylContact O-C 3.59Å; S1300-A1303 WeakPolarHBondContact O-CA 3.34Å; S1300-A1303 WeakPolarHBondContact O-CB 3.29Å; S1300-A1303 PolarHBondContact O-N 3.33Å; I1301-A1303 PolarHBondContact O-N 3.33Å; A1303-H1305 VanDerWaalsContact C-N 3.31Å; A1303-H1305 PolarHBondContact O-N 2.91Å; A1303-T1306 PolarHBondContact O-N 3.07Å; A1303-T1306 PolarHBondContact O-OG1 3.12Å
1304T44.4Very low39.8Very low89 Ų89111.5 Ų111.555%0.54661%0.609SS.*Hα-helixtrans-67.5-27.5-177.953.90000113.1S1300 I1301 T1306 T1307S1300-T1304 PolarHBondContact O-N 3.09Å; S1300-T1304 PolarHBondContact O-OG1 2.83Å; I1301-T1304 PolarHBondContact O-OG1 3.31Å; T1304-T1306 PolarHBondContact O-N 3.38Å; T1304-T1307 PolarHBondContact O-N 2.84Å; T1304-T1307 PolarHBondContact O-OG1 3.29Å
1305H40.5Very low39.2Very low145 Ų145117.2 Ų117.267%0.67163%0.632SS**THydrogen-bonded Turntrans-66.40.9172.6-74.9-39.6000115.2I1301 A1303I1301-H1305 WeakPolarHBondContact CG2-NE2 3.23Å; I1301-H1305 PolarHBondContact O-CD2 3.2Å; I1301-H1305 PolarHBondContact O-N 3.39Å; A1303-H1305 VanDerWaalsContact C-N 3.31Å; A1303-H1305 PolarHBondContact O-N 2.91Å
1306T33.5Very low38.5Very low116 Ų116115 Ų11571%0.71264%0.641SS**THydrogen-bonded Turntrans-94.3-8.7175.261.60000115A1303 T1304 T1308A1303-T1306 PolarHBondContact O-N 3.07Å; A1303-T1306 PolarHBondContact O-OG1 3.12Å; T1304-T1306 PolarHBondContact O-N 3.38Å; T1306-T1308 PolarHBondContact O-N 3.49Å
1307T32.1Very low37.8Very low118 Ų118114.1 Ų114.172%0.72465%0.649SS**  trans-98.274.6172.246.90000111.7T1304 S1309T1304-T1307 PolarHBondContact O-N 2.84Å; T1304-T1307 PolarHBondContact O-OG1 3.29Å; T1307-S1309 PolarHBondContact O-N 2.82Å; T1307-S1309 VanDerWaalsContact O-N 3.12Å
1308T29.5Very low37.1Very low115 Ų115119.2 Ų119.271%0.70667%0.668SS**  trans-71.999.2163.9-52.20000108.8T1306 T1310T1306-T1308 PolarHBondContact O-N 3.49Å; T1308-T1310 PolarHBondContact O-N 3.47Å
1309S30.5Very low36Very low80 Ų80118.8 Ų118.856%0.55968%0.677SS**  trans-64.4130.7172.159.10000110T1307 N1311T1307-S1309 PolarHBondContact O-N 2.82Å; T1307-S1309 VanDerWaalsContact O-N 3.12Å; S1309-N1311 PolarHBondContact O-N 3.35Å; S1309-N1311 PolarHBondContact OG-OD1 3.38Å
1310T30.4Very low35.4Very low139 Ų139123.3 Ų123.385%0.85369%0.692SS**  trans-76.675.3168.448.20000109.2T1308 H1312T1308-T1310 PolarHBondContact O-N 3.47Å; T1310-H1312 PolarHBondContact O-N 3.06Å
1311N30.5Very low34.7Very low140 Ų140128.1 Ų128.175%0.74971%0.713SS**  trans-62.5105.4168.4-78.31.1000108.7S1309S1309-N1311 PolarHBondContact O-N 3.35Å; S1309-N1311 PolarHBondContact OG-OD1 3.38Å
1312H33.3Very low34.1Very low164 Ų164130.2 Ų130.276%0.75973%0.731SS**  trans-141.6135.8165.8-115.8-71.1000111.2T1310T1310-H1312 PolarHBondContact O-N 3.06Å
1313N34.1Very low33.2Very low141 Ų141130.5 Ų130.575%0.75473%0.733SS**  trans69.276.9162.5-54-6.9000116.3
1314N34.2Very low32.4Very low172 Ų172133.5 Ų133.592%0.9275%0.751SS**  trans-58.8152.1142.4-97.4-25000110.4
1315K32.2Very low31.8Very low205 Ų205133.9 Ų133.989%0.89176%0.757SS**  trans-66.5143.9-173.7-55.9162.8-177.9169.40112.5
1316S32Very low31.1Very low112 Ų112132.8 Ų132.878%0.78376%0.761SS**  -165.4144.4119.453.30000114.1
1317N32.8Very low30.9Very low147 Ų147134.1 Ų134.179%0.78677%0.769SS**  trans-16.6153.1150.8-48.7-29.3000116.1
1318K32.6Very low30.7Very low186 Ų186131.3 Ų131.381%0.80976%0.763SS**  cis-167.4151.225.3-144.9171.6-173.5-179.40111.3
1319S28.6Very low30.5Very low88 Ų88131.2 Ų131.262%0.61577%0.767SS**  trans47.1130.714559.20000123.4
1320N31.7Very low30.3Very low155 Ų155132.4 Ų132.483%0.82978%0.776SS**  trans99120.6144.9-58.6-10000121.4
1321L29.5Very low30.2Very low156 Ų156132.6 Ų132.682%0.81777%0.77SS**  trans-71.1177.7152.5-87.168.3000110.2
1322P31.8Very low30.2Very low118 Ų118133 Ų13377%0.76677%0.771SS**  cis-114.8173.39.810.416.9000113.6
1323S26.7Very low30Very low95 Ų95130.4 Ų130.466%0.66477%0.771SS**  cis77.4146.347.5-45.70000116
1324S28.9Very low30Very low122 Ų122128.1 Ų128.185%0.85377%0.767SS**  trans74.4150.5-166.979.90000115.1
1325S32.1Very low30Very low97 Ų97129.1 Ų129.168%0.67877%0.766SS**  cis-150.7135.4-13.846.50000108.8
1326T27Very low30.1Very low123 Ų123123.4 Ų123.476%0.75576%0.757SS**  68.9129.978-31.60000115.3
1327V27.9Very low30.2Very low144 Ų144123.5 Ų123.587%0.87376%0.757SS**  trans69.8145.8175.3-162.30000114.4
1328G29.2Very low30.3Very low59 Ų59120.8 Ų120.861%0.60875%0.75SS**  cis-160.9152.8-6.500000110.3
1329S25.4Very low30.4Very low113 Ų113120.4 Ų120.479%0.7975%0.751SS**  65.994.593.4-62.60000117.1
1330S25.6Very low30.6Very low105 Ų105121.7 Ų121.773%0.73476%0.756SS**  trans76.8157.5136.677.20000122.3
1331I28.1Very low30.5Very low142 Ų142119.6 Ų119.673%0.72875%0.749SS**  trans89112149.6-76.8163.7000120.3
1332L29.9Very low30.3Very low149 Ų149121 Ų12178%0.7875%0.748SS**  trans73.8132.7145.1-94.451.7000124.1
1333S29.8Very low30Very low109 Ų109120.1 Ų120.176%0.76275%0.745SS**  trans69.4143138.9-63.40000120.3
1334S33.8Very low30.1Very low94 Ų94120 Ų12066%0.65775%0.75SS**  cis-169150.1-8.1440000112.1
1335Q35.6Very low30Very low192 Ų192120.7 Ų120.790%0.89774%0.743SS**  trans66.6144160.9-70.9174.8-7.200117.8
1336A33.3Very low29.7Very low86 Ų86122 Ų12271%0.71175%0.747SS**  cis-157.6157.2-12.200000112.1
1337S34.1Very low29.8Very low113 Ų113122 Ų12279%0.7975%0.746SS**  trans57.4130.3152.6-142.20000120
1338S35.2Very low29.6Very low90 Ų90119.6 Ų119.663%0.62974%0.736SS**  cis-168.2146.1-10.3390000110.6
1339Q34.8Very low29.8Very low178 Ų178123.4 Ų123.483%0.83275%0.748SS**  trans49.8136.8148.6-60.3-178.213.900120.2
1340T32.9Very low29.9Very low116 Ų116123.3 Ų123.371%0.71274%0.743SS**  cis-158.1126.4-818.60000105.4
1341T28.2Very low30.1Very low111 Ų111127.2 Ų127.268%0.68175%0.746SS**  101.9110.456-76.70000112.4
1342F25.6Very low30.4Very low185 Ų185129.6 Ų129.681%0.81175%0.752SS**  trans52.9125.3145-68.9-105.2000119.6
1343S25.5Very low30.2Very low99 Ų99130.2 Ų130.269%0.69275%0.75SS**  79.9109.854-64.40000115.8
1344A29.8Very low30.3Very low94 Ų94134.6 Ų134.678%0.77776%0.759SS**  trans-164.2126.2145.300000107.3
1345I25.5Very low29.9Very low136 Ų136134.6 Ų134.670%0.69776%0.759SS**  cis81.7126.934.7-56.2174.2000112.8
1346T26.2Very low29.6Very low124 Ų124131.4 Ų131.476%0.76176%0.756SS**  trans63.7151.7170.649.20000117.4
1347T29.3Very low29.3Very low122 Ų122133.3 Ų133.375%0.74876%0.762SS**  cis-145.9164.50.4-11.40000112.6
1348S24.5Very low29.2Very low94 Ų94133.4 Ų133.466%0.65776%0.763SS**  trans-39.9149.3165.354.60000117.5
1349T31.9Very low28.8Very low140 Ų140132.6 Ų132.686%0.85977%0.77SS**  -166.1154.5108.619.20000114.8
1350T27.4Very low28.7Very low111 Ų111133.2 Ų133.268%0.68177%0.769SS**  trans-67.4145.7-175.758.70000115.3
1351K31.6Very low28.8Very low186 Ų186138.7 Ų138.781%0.80978%0.777SS**  168.3149.4111.5-93.2153.6-172.1170.30115.7
1352K33.4Very low29Very low193 Ų193143.8 Ų143.884%0.83978%0.784SS**  trans68.4116.9155.3-72.5177.7178.1178.30120.9
1353H26.8Very low29.5Very low162 Ų162145.3 Ų145.375%0.7578%0.784SS**  trans-16.3138.7146.8-61-114000117.6
1354Q30.6Very low29.7Very low201 Ų201147.3 Ų147.394%0.93979%0.787SS**  -163.1146108.1-107.7174.11800113
1355S26.2Very low29.8Very low94 Ų94147.8 Ų147.866%0.65779%0.791SS**  trans-102.8133177.855.50000111.3
1356C27.9Very low30Very low124 Ų124147 Ų14784%0.83880%0.797SS**  trans-158.7134.2157.8-133.90000112
1357C27.7Very low30.1Very low126 Ų126147.5 Ų147.585%0.85179%0.791SS**  trans-77.3142.9-178-52.20000112.6
1358S32.4Very low30.2Very low115 Ų115146.9 Ų146.980%0.80479%0.792SS**  trans-162.1130.5159.1-77.90000108.3
1359G26.5Very low30.6Very low74 Ų74147.1 Ų147.176%0.76379%0.791SS**  cis104.877.111.300000111.1
1360K33.5Very low30.5Very low190 Ų190144.2 Ų144.283%0.82678%0.775SS**  trans-169.5146.1-179.7-97.3145.9-175.8179.40107.9
1361R34Very low30.7Very low232 Ų232146.1 Ų146.188%0.87578%0.78SS**  cis-158.4148.9-12.2-141.9-179.9-174.7-174-1.3110.5
1362R32.4Very low30.4Very low218 Ų218142.2 Ų142.282%0.82378%0.776SS**  trans-50.4154.3178-56.9169.2172.6174.8-6.6115.7
1363R37.3Very low30.4Very low216 Ų216138.5 Ų138.582%0.81577%0.77SS**  -146.3107.9126-90.2166.1-171.9157.11106.9
1364N29.6Very low30.4Very low141 Ų141140.9 Ų140.975%0.75477%0.774SS**  8577.573.8-75.526.2000113.4
1365A31.2Very low30.5Very low105 Ų105138.6 Ų138.687%0.86877%0.768SS**  trans-123134.1143.800000106.5
1366S29.4Very low30.6Very low118 Ų118138.3 Ų138.383%0.82577%0.771SS**  trans-109.4103.2-167.652.80000112.1
1367E29.6Very low30.6Very low136 Ų136137.3 Ų137.364%0.63677%0.771SS**PPolyproline II helixtrans-77.7132.6158.1-69.3-170.9107.700110.1R705R705-E1367 IonicContact CZ-OE1 2.56Å; R705-E1367 IonicContact CZ-OE2 2.74Å; R705-E1367 IonicContact NE-OE1 2.75Å; R705-E1367 VanDerWaalsContact NH1-CD 3.26Å; R705-E1367 IonicContact NH1-OE1 2.68Å; R705-E1367 PolarHBondContact NH1-OE1 2.97Å; R705-E1367 IonicContact NH1-OE2 3.1Å; R705-E1367 PolarHBondContact NH1-OE2 3Å; R705-E1367 IonicContact NH2-OE1 3.18Å; R705-E1367 PolarHBondContact NH2-OE1 3.14Å; R705-E1367 IonicContact NH2-OE2 2.97Å; R705-E1367 PolarHBondContact NH2-OE2 3.49Å
1368S29.4Very low30.7Very low109 Ų109136.3 Ų136.376%0.76277%0.766SS**PPolyproline II helixtrans-74.4129.9177.3-53.50000111.4
1369P34Very low30.4Very low99 Ų99139.6 Ų139.664%0.64377%0.766SS**PPolyproline II helixtrans-71.7147.8168.331.5-34000110.4
1370P28.9Very low30.6Very low79 Ų79140.1 Ų140.151%0.51375%0.752SS.*PPolyproline II helixtrans-70.8137.316631.7-32.6000109.7
1371L32.4Very low30.4Very low151 Ų151133.9 Ų133.979%0.79173%0.727SS**  trans-126.975.7173.4-91.7166.3000110.2
1372S26.4Very low30.4Very low103 Ų103127.1 Ų127.172%0.7271%0.709SS**  trans-99.495.7157.846.70000108.1
1373T32.3Very low30.3Very low116 Ų116120.9 Ų120.971%0.71269%0.692SS**  trans-138.5117.2174.8-22.70000110
1374Y27.7Very low30.1Very low212 Ų212116.4 Ų116.483%0.83169%0.688SS**  trans-60144.1164.3-95.1-122.1000110.4
1375N31.5Very low30.3Very low153 Ų153115.9 Ų115.982%0.81868%0.684SS**  trans173.2114.1132.3-84-22.7000107
1376A28.6Very low30.3Very low87 Ų87119.5 Ų119.572%0.71968%0.68SS**  92.7127.653.600000112.3
1377A28.9Very low30.4Very low103 Ų103117 Ų11785%0.85166%0.662SS**  trans64.2148.4-169.200000115.2
1378S28.2Very low30.3Very low106 Ų106112.8 Ų112.874%0.74165%0.648SS**  cis-142166.311-164.70000113.9
1379F27Very low30.3Very low184 Ų184112.7 Ų112.781%0.80764%0.638SS**  trans-49.2173.3179.4-60.6-90.2000115.9
1380N30.5Very low30.1Very low85 Ų85109.9 Ų109.946%0.45562%0.621SS.*  cis-175.9133.644.5174.737.2000113.4N1527 K1528N1380-N1527 VanDerWaalsContact C-N 3.25Å; N1380-N1527 CarbonylContact O-C 3.55Å; N1380-N1527 WeakPolarHBondContact O-CA 3.28Å; N1380-N1527 PolarHBondContact O-N 2.94Å; N1380-K1528 PolarHBondContact O-N 2.89Å
1381N29Very low30.1Very low59 Ų59111 Ų11132%0.31663%0.631SS.*  trans37132.1154.3-69.553.3000129.2L1524 F1525 P1526 N1527N1381-L1524 PolarHBondContact ND2-O 2.93Å; N1381-F1525 VanDerWaalsContact CA-O 3.28Å; N1381-F1525 WeakPolarHBondContact CA-O 3.2Å; N1381-F1525 PolarHBondContact N-O 3.32Å; N1381-F1525 PolarHBondContact OD1-O 3.14Å; N1381-P1526 VanDerWaalsContact C-CA 3.46Å; N1381-P1526 CarbonylContact C-O 3.51Å; N1381-P1526 VanDerWaalsContact C-O 3.31Å; N1381-P1526 VanDerWaalsContact CA-C 3.48Å; N1381-P1526 VanDerWaalsContact N-CA 3.32Å; N1381-P1526 CarbonylContact O-C 3.59Å; N1381-P1526 VanDerWaalsContact O-C 3.32Å; N1381-N1527 CarbonylContact O-C 2.9Å; N1381-N1527 WeakPolarHBondContact O-CA 3.47Å; N1381-N1527 PolarHBondContact O-N 3.27Å
1382N33.6Very low30.1Very low90 Ų90108.5 Ų108.548%0.48163%0.626SS.*  trans107.385.3166.8-54.8-53.6000122P1526N1382-P1526 CarbonylContact C-O 3.44Å; N1382-P1526 WeakPolarHBondContact CA-O 3.42Å; N1382-P1526 PolarHBondContact N-O 3.24Å
1383N31.7Very low30.1Very low87 Ų87109 Ų10947%0.46562%0.62SS.*  85141107.1-55.8-23.1000114.1F1525 P1526N1383-F1525 HydrophobicContact CB-CD1 4.49Å; N1383-F1525 WeakPolarHBondContact OD1-CB 3.29Å; N1383-F1525 VanDerWaalsContact OD1-CD1 3.29Å; N1383-F1525 WeakPolarHBondContact OD1-CD1 3.06Å; N1383-F1525 WeakPolarHBondContact OD1-CG 2.95Å; N1383-P1526 PolarHBondContact N-O 3.35Å
1384V33.3Very low30Very low121 Ų121106.9 Ų106.973%0.73361%0.609SS**  -167.6129.561.9154.50000112.5
1385I32.8Very low29.9Very low131 Ų131108.9 Ų108.967%0.67262%0.616SS**  trans54.9110.3137.3-56.6-179.4000123.4
1386K31.4Very low29.9Very low181 Ų181109.5 Ų109.579%0.78761%0.611SS**  trans58.4145.6133.5-57.7177.3-172.2176.40125.1
1387S31.8Very low29.9Very low65 Ų65113.8 Ų113.846%0.45562%0.616SS.*  trans70.2137.4136.655.10000122.5
1388S27.6Very low29.8Very low47 Ų47113.5 Ų113.533%0.32961%0.608SS.*  trans51.7130.6144.663.70000120.6V1404S1388-V1404 WeakPolarHBondContact CA-O 3.34Å; S1388-V1404 WeakPolarHBondContact CB-O 3.21Å
1389L29.4Very low29.9Very low107 Ų107115.5 Ų115.556%0.5661%0.607SS**  -149.1170.761.9-112.288.1000114.2I1402 Q1403 V1404L1389-I1402 HydrophobicContact CD2-CG1 4.18Å; L1389-Q1403 HydrophobicContact CD1-CG 3.85Å; L1389-Q1403 HydrophobicContact CG-CG 3.82Å; L1389-V1404 WeakPolarHBondContact O-CB 3.45Å; L1389-V1404 WeakPolarHBondContact O-CG2 3.18Å
1390S29.6Very low30.2Very low40 Ų40112.4 Ų112.428%0.2860%0.599SS.*  trans-107.8163.7-178.956.30000113I1402 Q1403 V1404S1390-I1402 PolarHBondContact OG-O 3.41Å; S1390-I1402 VanDerWaalsContact OG-O 3.12Å; S1390-Q1403 WeakPolarHBondContact OG-CA 3.46Å; S1390-Q1403 PolarHBondContact OG-N 3.42Å; S1390-V1404 PolarHBondContact OG-N 3.05Å
1391S28.9Very low30.3Very low104 Ų104112.7 Ų112.773%0.72761%0.608SS**  trans70.9152.4159.5-1400000119.4
1392S31Very low30.4Very low97 Ų97114.9 Ų114.968%0.67862%0.619SS**  trans-43.4134.1171.451.40000116
1393D27.2Very low30.4Very low113 Ų113116.5 Ų116.560%0.60462%0.623SS**  trans-165.3150.4142.5-101.2-32.4000108
1394C29.3Very low30.2Very low72 Ų72115.1 Ų115.149%0.48662%0.618SS.*  cis-163.1119-25.5-146.40000108.2K1396 Q1397C1394-K1396 PolarHBondContact O-N 3.08Å; C1394-K1396 PolarHBondContact SG-N 2.8Å; C1394-K1396 VanDerWaalsContact SG-N 3.45Å; C1394-Q1397 PolarHBondContact SG-N 2.91Å
1395W27.2Very low30.1Very low255 Ų255115.8 Ų115.897%0.96662%0.616SS**SBendtrans-85.867.7146.7-105.288.6000108.2
1396K30.7Very low29.8Very low165 Ų165113.2 Ų113.272%0.71761%0.61SS**SBendtrans4595.5164.5-54.4178.3179.7-174.60113.9C1394C1394-K1396 PolarHBondContact O-N 3.08Å; C1394-K1396 PolarHBondContact SG-N 2.8Å; C1394-K1396 VanDerWaalsContact SG-N 3.45Å
1397Q28.7Very low30Very low178 Ų178109.6 Ų109.683%0.83260%0.604SS**  -161.3126.286.9-95.4163.6-1.900114.1C1394C1394-Q1397 PolarHBondContact SG-N 2.91Å
1398S27.5Very low29.8Very low96 Ų96113.6 Ų113.667%0.67162%0.62SS**  trans75.2116.7141.8-1380000120.8
1399M30.4Very low29.9Very low149 Ų149116.4 Ų116.473%0.73464%0.64SS**  trans77.281.3152.7-57.3-63.5174.600120.2
1400N32.5Very low30.1Very low119 Ų119120.4 Ų120.464%0.63666%0.659SS**  60.4109.5119.3-63.7-13.4000120.1
1401S32.9Very low30.2Very low91 Ų91126.2 Ų126.264%0.63668%0.679SS**  116.8113.3108.771.90000121.7
1402I31.4Very low30.4Very low105 Ų105132.1 Ų132.154%0.53869%0.685SS.*  87.9124.1121.1-68.5174.8000121.2L1389 S1390L1389-I1402 HydrophobicContact CD2-CG1 4.18Å; S1390-I1402 PolarHBondContact OG-O 3.41Å; S1390-I1402 VanDerWaalsContact OG-O 3.12Å
1403Q33.4Very low30.5Very low124 Ų124132.9 Ų132.958%0.57969%0.687SS**  trans7196.5154.1-71.1164.91600124.1L1389 S1390L1389-Q1403 HydrophobicContact CD1-CG 3.85Å; L1389-Q1403 HydrophobicContact CG-CG 3.82Å; S1390-Q1403 WeakPolarHBondContact OG-CA 3.46Å; S1390-Q1403 PolarHBondContact OG-N 3.42Å
1404V26.8Very low30.8Very low58 Ų58137.6 Ų137.635%0.35270%0.698SS.*  trans-63.7156.8141151.10000109.3S1388 L1389 S1390S1388-V1404 WeakPolarHBondContact CA-O 3.34Å; S1388-V1404 WeakPolarHBondContact CB-O 3.21Å; L1389-V1404 WeakPolarHBondContact O-CB 3.45Å; L1389-V1404 WeakPolarHBondContact O-CG2 3.18Å; S1390-V1404 PolarHBondContact OG-N 3.05Å
1405I32.4Very low30.7Very low135 Ų135142.8 Ų142.869%0.69272%0.715SS**  trans-133.5133.7137.6-65.4-175.1000108.9
1406S26.7Very low30.9Very low77 Ų77135.3 Ų135.354%0.53870%0.702SS.*  trans-135.8172.9169.2-55.90000108.6
1407P34.5Very low30.8Very low104 Ų104137.8 Ų137.868%0.67571%0.712SS**  -116.7172-7437.9-27.3000111.1
1408N28.7Very low30.8Very low149 Ų149134.2 Ų134.280%0.79770%0.703SS**  trans166.6147.6130.8-91.1-43.9000114.9
1409S28.6Very low30.9Very low106 Ų106136.4 Ų136.474%0.74171%0.706SS**  trans37.7117.4148.766.50000120.8
1410M34Very low31Very low192 Ų192136.5 Ų136.595%0.94671%0.708SS**  -143.8150.7126.3-126.7-173.2-66.900112.9
1411K31.5Very low30.9Very low161 Ų161135.7 Ų135.770%0.771%0.712SS**  trans-74.8141-170.4-54.2164.1-179.3175.90111.7I1522K1411-I1522 HydrophobicContact CG-CD1 4.37Å
1412R34.2Very low30.9Very low228 Ų228137.7 Ų137.786%0.8672%0.72SS**  trans-165.1110.4140.8-110.2173.2-163.8-167.14.2111.4
1413P31.3Very low30.8Very low113 Ų113135.3 Ų135.373%0.73472%0.722SS**  trans-85.6135.2160.833.6-28.9000109.4
1414Y33.8Very low30.5Very low213 Ų213135.5 Ų135.584%0.83573%0.727SS**  trans-146.8146.8165.5-102.4-76.2000111.9
1415H27.1Very low30.9Very low181 Ų181140.4 Ų140.484%0.83875%0.745SS**  trans-95.2129.7-176.2-69.8-126.3000111.8
1416S32.8Very low30.7Very low98 Ų98139 Ų13969%0.68574%0.739SS**  trans179.7121.5149.246.70000106.9
1417K27.8Very low30.8Very low216 Ų216141.4 Ų141.494%0.93975%0.746SS**  cis63.153.416.1-138.5-170.9-173-168.10113.9
1418T29.7Very low30.8Very low103 Ų103141.7 Ų141.763%0.63275%0.751SS**  trans-127.2116.7168.9-55.20000108.7
1419L28.8Very low30.9Very low142 Ų142141.5 Ų141.574%0.74375%0.75SS**  trans34.1133.3143.9-45.6175.1000118.4
1420I33.1Very low30.9Very low151 Ų151143.2 Ų143.277%0.77475%0.751SS**  cis-136.2131.620.7-64.7172.1000107.5V1422I1420-V1422 HydrophobicContact CG2-CG2 4.04Å
1421S28.4Very low30.8Very low103 Ų103141.4 Ų141.472%0.7275%0.745SS**  cis75.841.813.6-157.40000117.4
1422V33.5Very low30.7Very low133 Ų133137.5 Ų137.581%0.80673%0.734SS**  trans-130.5132.9133.7-172.70000104I1420I1420-V1422 HydrophobicContact CG2-CG2 4.04Å
1423G30.6Very low30.3Very low55 Ų55128.5 Ų128.557%0.56771%0.706SS**  cis158.2150.57.600000105.5
1424N26.8Very low30.2Very low128 Ų128126 Ų12668%0.68469%0.685SS**  44.8103.451.3-57.835.2000107.9
1425H33.7Very low30.5Very low161 Ų161120.7 Ų120.775%0.74567%0.666SS**  cis-136.4143.341.7-84-91.9000111.7
1426N29Very low30.6Very low105 Ų105121.9 Ų121.956%0.56166%0.663SS**  79135.456.9-96.162.7000113.1
1427D29.8Very low30.8Very low127 Ų127124.3 Ų124.368%0.67966%0.661SS**  trans67.6158.3147.5-43.5-25000119
1428S33.9Very low31.6Very low111 Ų111118.7 Ų118.778%0.77665%0.645SS**  trans61.3110.3-164.363.40000114.3
1429N30.7Very low31.9Very low145 Ų145118 Ų11878%0.77564%0.642SS**  cis91.8113.942-65.71.8000113.2
1430N28.6Very low32.2Very low142 Ų142116.6 Ų116.676%0.75964%0.639SS**  trans69139.9159.7-56.1-1.4000118.6
1431N30.8Very low32.3Very low153 Ų153115.6 Ų115.682%0.81864%0.64SS**  trans69.3139.5161.1-52.9-3.4000116
1432T31.1Very low32.7Very low79 Ų79116.5 Ų116.549%0.48564%0.641SS.*  cis-150.3167.1-8.7-24.50000110.3A240A240-T1432 HydrophobicContact CB-CG2 4.09Å
1433S25.2Very low33Very low39 Ų39116 Ų11627%0.27364%0.639SS.*  trans-2.4149.5159.454.60000123.9T237T237-S1433 WeakPolarHBondContact CG2-O 3.07Å
1434H29.8Very low33Very low62 Ų62119.5 Ų119.529%0.28765%0.649SS.*  trans69170.2164.3-44.8-79.9000116.6
1435F39.3Very low33.4Very low101 Ų101120.8 Ų120.844%0.44365%0.651SS.*SBendcis-138.9137.88.6-113-109.8000107.9T237T237-F1435 VanDerWaalsContact N-CD2 3.33Å
1436R29.4Very low33.1Very low205 Ų205120.7 Ų120.777%0.77466%0.655SS**SBendcis-125.9140.7-23.5-63.5175.6167.8172.3-6104.9
1437K37.7Very low33.8Very low149 Ų149119.8 Ų119.865%0.64865%0.651SS**SBendcis-62.8151.531.4-93.8-171.6174.4176.10118.5Y687 T1439Y687-K1437 HydrophobicContact CE2-CD 4.34Å; Y687-K1437 WeakPolarHBondContact OH-CD 3.34Å; Y687-K1437 VanDerWaalsContact OH-CE 3.24Å; Y687-K1437 WeakPolarHBondContact OH-CE 3.28Å; Y687-K1437 PolarHBondContact OH-NZ 2.77Å; K1437-T1439 PolarHBondContact O-N 3.17Å
1438T43Very low33.8Very low98 Ų98119.9 Ų119.960%0.60166%0.661SS**  trans-71.3106.5152.6-46.50000109.6
1439T36.1Very low33.7Very low90 Ų90121.2 Ų121.255%0.55266%0.655SS**  trans70.5173.1137.7-34.60000119.6K1437K1437-T1439 PolarHBondContact O-N 3.17Å
1440T35.6Very low33.6Very low112 Ų112121.5 Ų121.569%0.68766%0.662SS**  trans-155.7153.1-139-29.20000113.5
1441T35.5Very low34.3Very low129 Ų129121.8 Ų121.879%0.79166%0.663SS**  trans55.9-169.3160.742.10000116.5
1442T35.8Very low34.6Very low122 Ų122121.2 Ų121.275%0.74866%0.66SS**  cis-155.5163.59.4-36.80000111.1
1443T41.1Very low34.6Very low123 Ų123122.6 Ų122.676%0.75567%0.673SS**  trans-146.2137170.832.20000113.9
1444T30.1Very low35.2Very low129 Ų129128.1 Ų128.179%0.79169%0.692SS**  trans45.2125.9150.958.40000123.1
1445Q36Very low35Very low154 Ų154131 Ų13172%0.7271%0.709SS**  -175149.3112.6-107.9-176.3-13.100113.8
1446L27.5Very low34.7Very low159 Ų159129.5 Ų129.583%0.83272%0.722SS**  trans-163.6152.9170.9-131.5-179.4000110.2
1447D42.7Very low34.7Very low87 Ų87126.1 Ų126.147%0.46572%0.72SS.*  trans-126145.2-174.6-48.6-86.6000112
1448S30.4Very low34.6Very low129 Ų129124.8 Ų124.890%0.90272%0.72SS**  trans-176.6131.7161.4-84.30000115.1
1449E31.2Very low34.5Very low138 Ų138126.6 Ų126.665%0.64573%0.726SS**  trans-135.4118.8158.4-101-163.2-12800109.2H1489E1449-H1489 VanDerWaalsContact OE1-O 3.07Å
1450T29.4Very low35.1Very low151 Ų151128.9 Ų128.993%0.92674%0.735SS**  trans-166.3146.4147-17.80000111.6
1451L42.1Very low35.5Very low148 Ų148129 Ų12978%0.77573%0.731SS**  trans-102.7126.1173.3-96.1167.6000111.3
1452N38.4Very low35.9Very low142 Ų142131 Ų13176%0.75973%0.729SS**  trans-156.2144.2133.2-138.5-21.1000114.9
1453S31.2Very low35.9Very low108 Ų108131.8 Ų131.876%0.75573%0.728SS**  trans-88.296.7159.848.40000108.3
1454K36.4Very low35.8Very low155 Ų155132.2 Ų132.267%0.67473%0.726SS**  trans-153.8113.3167-164.568.9-177.8161.20113.7
1455D27.1Very low36.3Very low121 Ų121133.5 Ų133.565%0.64773%0.728SS**  trans8.8115.9138.9-32.3-28.9000116.4
1456G31.6Very low36.2Very low70 Ų70131.2 Ų131.272%0.72273%0.728SS**  trans174.137.7-17500000112.6
1457N30.1Very low36.7Very low135 Ų135128.1 Ų128.172%0.72272%0.72SS**  48.5108.599.6-85.516.3000112.2
1458N35.6Very low36.5Very low120 Ų120129.8 Ų129.864%0.64273%0.733SS**  cis-158.7-178.217.4-79.4-54.2000111.7
1459N41.5Very low37.1Very low137 Ų137130.4 Ų130.473%0.73373%0.725SS**  trans9897.6163.2-45.8-39.3000114.9
1460N47.6Very low37.1Very low137 Ų137131.8 Ų131.873%0.73373%0.731SS**  81.2119.790.2-61.3-9.5000111.9
1461D44.9Very low37.6Very low115 Ų115132.2 Ų132.262%0.61572%0.723SS**  cis-16012812.2-106.7-72.9000112.3
1462K42.2Very low37.8Very low171 Ų171132.9 Ų132.974%0.74372%0.722SS**  trans67.6141.3155.2-55.5149.7-170.8143.10120.6
1463N37.2Very low38.1Very low138 Ų138130.8 Ų130.874%0.73871%0.708SS**  cis-172.6145.1-25.3-111.114.8000113.2
1464N39.4Very low38.9Very low132 Ų132131.8 Ų131.871%0.70671%0.705SS**  trans75.9133.2151.9-56.8-5.6000125.1
1465N39Very low39.9Very low156 Ų156130.4 Ų130.483%0.83471%0.709SS**  trans68.3149.6148.2-67.50.7000121.9
1466C33.6Very low41.2Very low107 Ų107130.8 Ų130.872%0.72371%0.711SS**  cis-170.6149.1-15.6179.30000114
1467S38.2Very low41.9Very low94 Ų94135.1 Ų135.166%0.65771%0.712SS**  trans63.4130.5159.345.60000121.7
1468T38.9Very low42.1Very low122 Ų122134.5 Ų134.575%0.74871%0.713SS**  cis96.9153.227.864.20000115
1469I42.5Very low42.1Very low142 Ų142135.2 Ų135.273%0.72872%0.722SS**  cis-164.9167.213.6-123.1150.1000106.5
1470E31.7Very low41.9Very low167 Ų167131.1 Ų131.178%0.7871%0.712SS**  cis-175.6-159.1-23.5-158.3147.1-77.300110
1471Q39.9Very low41.8Very low160 Ų160128.6 Ų128.675%0.74872%0.718SS**  trans-146.1165.2178.6-70.9-166.612.900115.7
1472Q46.6Very low42Very low162 Ų162131.3 Ų131.376%0.75773%0.727SS**  trans71.5169.7150-81.6177.9-9.600122.6
1473Q44.1Very low41.3Very low97 Ų97131.9 Ų131.945%0.45373%0.726SS.*  trans142-177.5141.7-66.9-72.4-17.500117.6V1491 V1492Q1473-V1491 WeakPolarHBondContact CG-O 3.44Å; Q1473-V1491 VanDerWaalsContact NE2-C 3.33Å; Q1473-V1491 PolarHBondContact NE2-O 2.87Å; Q1473-V1491 VanDerWaalsContact NE2-O 3.09Å; Q1473-V1492 HydrophobicContact CB-CB 3.85Å; Q1473-V1492 HydrophobicContact CB-CG2 4.5Å; Q1473-V1492 VanDerWaalsContact CD-N 3.27Å; Q1473-V1492 HydrophobicContact CG-CB 3.61Å; Q1473-V1492 HydrophobicContact CG-CG2 3.97Å; Q1473-V1492 PolarHBondContact OE1-O 2.77Å
1474N49.5Very low41.1Very low130 Ų130132.3 Ų132.370%0.69572%0.723SS**  trans-139.1158.6-137.2-168.418.3000118.7
1475V56.1Low41Very low125 Ų125131 Ų13176%0.75871%0.713SS**  trans-157.6141.6-173.6-173.70000118.6
1476D54.9Low40.7Very low129 Ų129129.3 Ų129.369%0.6970%0.704SS**  trans66.2129153.8-78.8-38.8000130.3
1477Q45.5Very low40.7Very low162 Ų162128.2 Ų128.276%0.75770%0.703SS**  trans54.2130.1132.2-64.6173.45200128.7
1478T34.7Very low40.3Very low121 Ų121129.8 Ų129.874%0.74270%0.704SS**  trans106.3105.4140.2-52.40000123.8
1479V35Very low39.8Very low135 Ų135129.6 Ų129.682%0.81869%0.694SS**  trans42.8120.2141-175.50000122.2
1480G38.2Very low39.3Very low52 Ų52127.6 Ų127.654%0.53669%0.685SS.*  trans156.560.4149.400000120.9H1482G1480-H1482 PolarHBondContact O-N 2.83Å
1481G46.1Very low39.2Very low83 Ų83123.6 Ų123.686%0.85667%0.672SS**SBendtrans6430.1161.500000116.9
1482H48.4Very low38.7Very low172 Ų172119.8 Ų119.880%0.79666%0.659SS**  trans-140.399.2-176.4-100-90.8000110.2G1480G1480-H1482 PolarHBondContact O-N 2.83Å
1483Y27.7Very low37.8Very low184 Ų184119.7 Ų119.772%0.72266%0.656SS**  trans-149.3159.5179.6-71.9-76.8000107.9
1484E34.2Very low37Very low147 Ų147122.1 Ų122.169%0.68767%0.671SS**  cis-158.416623.5-130138.3-123.700110.2
1485Q36.6Very low36.1Very low103 Ų103122.3 Ų122.348%0.48167%0.672SS.*  trans64.8154.5152.3-70.7175.71700120.3E1498 E1499Q1485-E1498 PolarHBondContact NE2-O 3.18Å; Q1485-E1499 PolarHBondContact NE2-O 2.88Å
1486N33Very low34.9Very low122 Ų122123.9 Ų123.965%0.65268%0.675SS**  cis-152.3155.4-3.2-117.7-27.7000110.8
1487A33.6Very low34Very low84 Ų84123.3 Ų123.369%0.69468%0.676SS**  trans50.8110.8168.500000117.8
1488N28.7Very low33.6Very low127 Ų127122.1 Ų122.168%0.67967%0.671SS**  cis57.6137.526-51.8-29.5000113.5
1489H28.8Very low33.7Very low117 Ų117123.5 Ų123.554%0.54267%0.669SS.*  cis-157.1163.944.6-104.5-69.7000110.7E1449E1449-H1489 VanDerWaalsContact OE1-O 3.07Å
1490N31.2Very low33.8Very low100 Ų100123.6 Ų123.654%0.53566%0.66SS.*  cis177.8178.334.9-129.3-21.4000107.9
1491V29.9Very low33.7Very low84 Ų84128.7 Ų128.751%0.50967%0.67SS.*SBendcis-140.2130.8-0.6-1680000108.2Q1473Q1473-V1491 WeakPolarHBondContact CG-O 3.44Å; Q1473-V1491 VanDerWaalsContact NE2-C 3.33Å; Q1473-V1491 PolarHBondContact NE2-O 2.87Å; Q1473-V1491 VanDerWaalsContact NE2-O 3.09Å
1492V29.8Very low33.1Very low79 Ų79132 Ų13248%0.47966%0.663SS.*  -174.395.2113.4178.60000107.9Q1473Q1473-V1492 HydrophobicContact CB-CB 3.85Å; Q1473-V1492 HydrophobicContact CB-CG2 4.5Å; Q1473-V1492 VanDerWaalsContact CD-N 3.27Å; Q1473-V1492 HydrophobicContact CG-CB 3.61Å; Q1473-V1492 HydrophobicContact CG-CG2 3.97Å; Q1473-V1492 PolarHBondContact OE1-O 2.77Å
1493K29.1Very low32.6Very low161 Ų161129.7 Ų129.770%0.765%0.652SS**  trans42.3131.8139.3-57169.1-178.6171.90117.3
1494I26.8Very low32.8Very low147 Ų147129.3 Ų129.375%0.75465%0.65SS**  -152.6116.560.9-73149.8000112.4
1495N29.3Very low32.9Very low134 Ų134127.4 Ų127.472%0.71764%0.641SS**  trans62.8124.3144-56.2-4.5000125.7
1496L32.3Very low32.9Very low159 Ų159128 Ų12883%0.83264%0.642SS**  trans102.9114.4143.3-59.6142.5000123.7
1497T35.5Very low33Very low116 Ų116127.6 Ų127.671%0.71264%0.636SS**  trans77.4159.7150.256.70000124.9
1498E37Very low33Very low137 Ų137128.7 Ų128.764%0.6463%0.63SS**  -171.4165.8-61-115.574.7-81.300114.4Q1485Q1485-E1498 PolarHBondContact NE2-O 3.18Å
1499E36.9Very low33.2Very low151 Ų151130 Ų13071%0.70663%0.63SS**  trans51.3148.9157.6-66.5174.9-165.200125.5Q1485Q1485-E1499 PolarHBondContact NE2-O 2.88Å
1500Q36.6Very low33.5Very low137 Ų137130.5 Ų130.564%0.6464%0.641SS**  cis179.9147.6-11.8173.9166.8-41.100115.8
1501E36.1Very low33.7Very low158 Ų158131 Ų13174%0.73864%0.643SS**  trans65.7165.4158.7-80.2-172-92.300125.2
1502H34.4Very low33.8Very low152 Ų152130.9 Ų130.970%0.70465%0.646SS**  cis-172.9179.6-34.2-153.227.3000116.6
1503E37Very low34Very low124 Ų124130.1 Ų130.158%0.57964%0.642SS**  trans71.2167.8162.4-58-7765.600124.5
1504R33.4Very low34.3Very low176 Ų176125 Ų12566%0.66462%0.624SS**  -171.7157.8-60.9-140.8-156.9-65.9165.95.2118.3
1505E35.4Very low34.6Very low107 Ų107121.5 Ų121.550%0.561%0.61SS.*  trans85122.1141.9-97.9175.8-148.600129.7
1506K36.7Very low34.8Very low115 Ų115120.8 Ų120.850%0.561%0.611SS.*  127.6105117.5-96.8160.1-178.3155.40125.5D611 S612D611-K1506 VanDerWaalsContact OD1-C 3.31Å; D611-K1506 PolarHBondContact OD2-N 3.08Å; S612-K1506 VanDerWaalsContact CB-C 3.41Å; S612-K1506 VanDerWaalsContact CB-O 3.26Å; S612-K1506 WeakPolarHBondContact CB-O 3.19Å; S612-K1506 PolarHBondContact OG-O 2.79Å
1507Q34.3Very low34.8Very low114 Ų114119 Ų11953%0.53361%0.606SS.*  54.3148.2124.8-61.1179.6200123.8D611 S612D611-Q1507 PolarHBondContact OD1-N 3.39Å; S612-Q1507 WeakPolarHBondContact CB-O 3.35Å
1508L34.3Very low34.6Very low108 Ų108119.1 Ų119.157%0.56561%0.607SS**  cis-174.6153.8-3.7-108.5170000116.1T613T613-L1508 PolarHBondContact O-N 2.91Å; T613-L1508 PolarHBondContact OG1-O 3.49Å
1509F32Very low34.5Very low153 Ų153118.1 Ų118.167%0.67161%0.61SS**  trans67.6174.2163.1-89.3-151.8000119.8T613T613-F1509 WeakPolarHBondContact CB-O 3.07Å; T613-F1509 PolarHBondContact OG1-N 3.17Å; T613-F1509 VanDerWaalsContact OG1-N 3.16Å; T613-F1509 PolarHBondContact OG1-O 3.27Å
1510V36.2Very low34.3Very low128 Ų128117.6 Ų117.678%0.77661%0.613SS**  cis-150.8-165.924-139.50000115.2
1511N34.3Very low34Very low111 Ų111116 Ų11659%0.59462%0.617SS**  trans-145-179.9-166.3-64.290.7000112.5
1512S32.7Very low33.8Very low81 Ų81114.6 Ų114.657%0.56661%0.613SS**  cis-176.3167.6-16.8-93.40000107.9D594D594-S1512 PolarHBondContact OD2-OG 2.65Å
1513T34.9Very low33.6Very low64 Ų64111.9 Ų111.939%0.39361%0.611SS.*  cis-158.5-103.1-3.532.70000118L592L592-T1513 HydrophobicContact CB-CG2 3.5Å; L592-T1513 VanDerWaalsContact CB-CG2 3.5Å; L592-T1513 WeakPolarHBondContact CB-OG1 3.33Å; L592-T1513 HydrophobicContact CD2-CG2 4.03Å; L592-T1513 HydrophobicContact CG-CG2 4.42Å; L592-T1513 PolarHBondContact N-OG1 2.65Å; L592-T1513 PolarHBondContact O-OG1 3.19Å; L592-T1513 VanDerWaalsContact O-OG1 3.04Å
1514T34.3Very low33.4Very low53 Ų53112.2 Ų112.233%0.32562%0.616SS.*  trans-144.5179.6-147.159.60000122.6V590 L592V590-T1514 CarbonylContact C-O 3.31Å; V590-T1514 VanDerWaalsContact C-O 3.23Å; V590-T1514 PolarHBondContact N-O 2.98Å; L592-T1514 HydrophobicContact CB-CG2 4.19Å; L592-T1514 WeakPolarHBondContact CB-OG1 3.45Å; L592-T1514 PolarHBondContact N-OG1 2.86Å
1515T33Very low33.2Very low74 Ų74109.4 Ų109.445%0.45461%0.609SS.*  129.7121.41175.20000125.3P591P591-T1515 PolarHBondContact O-OG1 3.06Å
1516T32.7Very low33.1Very low119 Ų119107.6 Ų107.673%0.7361%0.606SS**  trans79.2142.1137.931.10000130.6
1517T33.2Very low32.7Very low120 Ų120107.6 Ų107.674%0.73661%0.612SS**  trans66.1119.6148.147.40000122.5
1518T31.5Very low32.5Very low119 Ų119109.4 Ų109.473%0.7362%0.618SS**  71.1129.766.966.40000116
1519T33.7Very low32.3Very low116 Ų116111.1 Ų111.171%0.71263%0.626SS**  -178158.766.244.90000116.7
1520N32.8Very low32.1Very low141 Ų141113.3 Ų113.375%0.75463%0.63SS**  trans62.7104.8137-62.7-8.7000126.9
1521S30.9Very low31.9Very low104 Ų104114.2 Ų114.273%0.72763%0.628SS**  50.8135.5121.570.60000125.4
1522I33Very low31.7Very low128 Ų128116.8 Ų116.866%0.65664%0.636SS**  -175.6159.5119.5-95.4161.1000112.4K1411K1411-I1522 HydrophobicContact CG-CD1 4.37Å
1523S28.4Very low31.8Very low95 Ų95122.3 Ų122.366%0.66465%0.652SS**  trans-67.3166.4-171.1570000119.1
1524L33.5Very low31.6Very low131 Ų131125.5 Ų125.569%0.68666%0.663SS**  trans-178.7110.7130.8-89.4152.6000115.2N1381N1381-L1524 PolarHBondContact ND2-O 2.93Å
1525F30Very low31.5Very low116 Ų116128.2 Ų128.251%0.50968%0.684SS.*  trans69.1166.3152.7-74.8-91.1000126.3N1381 N1383N1381-F1525 VanDerWaalsContact CA-O 3.28Å; N1381-F1525 WeakPolarHBondContact CA-O 3.2Å; N1381-F1525 PolarHBondContact N-O 3.32Å; N1381-F1525 PolarHBondContact OD1-O 3.14Å; N1383-F1525 HydrophobicContact CB-CD1 4.49Å; N1383-F1525 WeakPolarHBondContact OD1-CB 3.29Å; N1383-F1525 VanDerWaalsContact OD1-CD1 3.29Å; N1383-F1525 WeakPolarHBondContact OD1-CD1 3.06Å; N1383-F1525 WeakPolarHBondContact OD1-CG 2.95Å
1526P32.9Very low31.6Very low69 Ų69136.4 Ų136.445%0.44871%0.707SS.*  trans-135.2145.5-175.341.1-23.5000119.6N1381 N1382 N1383N1381-P1526 VanDerWaalsContact C-CA 3.46Å; N1381-P1526 CarbonylContact C-O 3.51Å; N1381-P1526 VanDerWaalsContact C-O 3.31Å; N1381-P1526 VanDerWaalsContact CA-C 3.48Å; N1381-P1526 VanDerWaalsContact N-CA 3.32Å; N1381-P1526 CarbonylContact O-C 3.59Å; N1381-P1526 VanDerWaalsContact O-C 3.32Å; N1382-P1526 CarbonylContact C-O 3.44Å; N1382-P1526 WeakPolarHBondContact CA-O 3.42Å; N1382-P1526 PolarHBondContact N-O 3.24Å; N1383-P1526 PolarHBondContact N-O 3.35Å
1527N27.7Very low31.7Very low115 Ų115138.7 Ų138.762%0.61571%0.706SS**  trans119.579.1174.1-66.8-39.8000123.7N1380 N1381N1380-N1527 VanDerWaalsContact C-N 3.25Å; N1380-N1527 CarbonylContact O-C 3.55Å; N1380-N1527 WeakPolarHBondContact O-CA 3.28Å; N1380-N1527 PolarHBondContact O-N 2.94Å; N1381-N1527 CarbonylContact O-C 2.9Å; N1381-N1527 WeakPolarHBondContact O-CA 3.47Å; N1381-N1527 PolarHBondContact O-N 3.27Å
1528K31.1Very low31.7Very low152 Ų152144.8 Ų144.866%0.66172%0.716SS**  trans-173.4104.9135.2-104.1159.3-173.1178.60116.5N1380N1380-K1528 PolarHBondContact O-N 2.89Å
1529I29.7Very low31.9Very low144 Ų144146.7 Ų146.774%0.73872%0.721SS**  60.3104.5115.8-65176.4000120.1
1530R28.4Very low32.1Very low199 Ų199150 Ų15075%0.75173%0.726SS**  61.8113.4124.4-174.3-170179.9176.11.4119.8
1531M31.5Very low32.3Very low148 Ų148153.3 Ų153.373%0.72973%0.733SS**  -159148.6106-98.6-51.1-176.500112.8
1532Q30.3Very low32.6Very low164 Ų164156.1 Ų156.177%0.76673%0.734SS**  trans-72.7148.1-177.9-59.9164.3-56.500112.8
1533H33.4Very low32.7Very low197 Ų197159.2 Ų159.291%0.91275%0.746SS**  trans-145.6156.1131.8-146.5-96.7000111.9
1534E31.5Very low33.1Very low132 Ų132163.7 Ų163.762%0.61775%0.754SS**  trans-101.3130.5-155.6-168.7174.3178.900114.9R1536 K1537E1534-R1536 PolarHBondContact O-N 3Å; E1534-K1537 IonicContact OE1-NZ 3.61Å; E1534-K1537 PolarHBondContact OE1-NZ 3.04Å
1535S33.4Very low33.2Very low110 Ų110163 Ų16377%0.76976%0.76SS**  trans-77.4110.8174.950.90000111.9K1537S1535-K1537 PolarHBondContact O-N 2.73Å; S1535-K1537 VanDerWaalsContact O-N 3.16Å
1536R34.4Very low33.2Very low246 Ų246162.6 Ų162.693%0.92877%0.771SS**  trans-39.9109.5-174.5-73.6173.5163170.2-5.9115.4E1534 R1538E1534-R1536 PolarHBondContact O-N 3Å; R1536-R1538 PolarHBondContact O-N 3.49Å
1537K35Very low33.2Very low167 Ų167165.9 Ų165.973%0.72679%0.79SS**PPolyproline II helixtrans-73.3116.7163.3-62.2173.3-174113.20110E1534 S1535E1534-K1537 IonicContact OE1-NZ 3.61Å; E1534-K1537 PolarHBondContact OE1-NZ 3.04Å; S1535-K1537 PolarHBondContact O-N 2.73Å; S1535-K1537 VanDerWaalsContact O-N 3.16Å
1538R33.6Very low33.5Very low247 Ų247167.8 Ų167.893%0.93280%0.8SS**PPolyproline II helixtrans-79.5145174-121.5174.8176.1178.3-2111.1R1536R1536-R1538 PolarHBondContact O-N 3.49Å
1539L35.7Very low33.4Very low160 Ų160166.2 Ų166.284%0.83880%0.803SS**PPolyproline II helixtrans-65139.3-157.3-79.464.9000115.7
1540K37.7Very low33.5Very low186 Ų186165.5 Ų165.581%0.80981%0.809SS**PPolyproline II helixtrans-68.2125.6149.4-75.2-179.6177.5175.50109H1542K1540-H1542 PolarHBondContact O-N 3.43Å; K1540-H1542 VanDerWaalsContact O-N 3.11Å
1541K36.6Very low33.6Very low209 Ų209167.3 Ų167.391%0.90982%0.816SS**  trans-72.3100.1165.4-83.8-172.9173.2-179.30110.1Q1543K1541-Q1543 PolarHBondContact O-N 3.5Å
1542H36.8Very low33.8Very low163 Ų163166.6 Ų166.676%0.75582%0.82SS**  trans-74.5112.3156.6-91-92.7000108.8K1540 K1544K1540-H1542 PolarHBondContact O-N 3.43Å; K1540-H1542 VanDerWaalsContact O-N 3.11Å; H1542-K1544 PolarHBondContact O-N 3.36Å
1543Q35.8Very low33.8Very low193 Ų193165.7 Ų165.790%0.90282%0.82SS**  trans-90.987.9168.1-170.1164.8-6.800108.5K1541 S1545K1541-Q1543 PolarHBondContact O-N 3.5Å; Q1543-S1545 PolarHBondContact O-N 3.21Å
1544K37.2Very low33.8Very low190 Ų190166 Ų16683%0.82682%0.819SS**  trans-70112.8169.1-73.4-175.8176.3-177.70108.6H1542 S1546H1542-K1544 PolarHBondContact O-N 3.36Å; K1544-S1546 PolarHBondContact O-N 3.12Å
1545S33.6Very low34Very low116 Ų116165.5 Ų165.581%0.81183%0.825SS**  trans-77107160.749.60000108.4Q1543Q1543-S1545 PolarHBondContact O-N 3.21Å
1546S31.1Very low34.2Very low107 Ų107165.8 Ų165.875%0.74882%0.824SS**PPolyproline II helixtrans-78.8121.5172.6-166.60000109.4K1544K1544-S1546 PolarHBondContact O-N 3.12Å
1547T33.7Very low34.4Very low138 Ų138160 Ų16085%0.84782%0.818SS**PPolyproline II helixtrans-83.6133.4154.319.30000108.3
1548L32.5Very low34.2Very low156 Ų156156.9 Ų156.982%0.81782%0.818SS**PPolyproline II helixtrans-82.4162.7-178.1-148.475.6000111
1549T29.2Very low34.2Very low118 Ų118156.1 Ų156.172%0.72482%0.816SS**PPolyproline II helixtrans-51139.8173.649.10000114.6
1550C32.6Very low34.1Very low130 Ų130153.1 Ų153.188%0.87881%0.809SS**  -141140.3126.8-101.70000108.2
1551R29.9Very low34.1Very low236 Ų236152.4 Ų152.489%0.89181%0.812SS**  trans-136.389.8-168.9-178.6-171.4-175.1176.12109.1
1552T35Very low34Very low134 Ų134147.8 Ų147.882%0.82280%0.797SS**  trans-129.8119.5176.8-41.10000108.5
1553L30.8Very low33.9Very low144 Ų144147.2 Ų147.275%0.75479%0.793SS**  trans-77.3150.5168.4-56.7112000108.6
1554F33.1Very low33.7Very low205 Ų205147.9 Ų147.990%0.89979%0.788SS**  -168.4162.4119.9-101.6-66.4000111
1555T35.9Very low33.5Very low120 Ų120146.7 Ų146.774%0.73679%0.789SS**  trans-75154.9-160.438.30000115.9
1556P37.7Very low33.5Very low117 Ų117147.9 Ų147.976%0.7679%0.785SS**  trans-86.2166.2171.237.7-35.9000112.4
1557P37.9Very low33.6Very low123 Ų123147.8 Ų147.880%0.79978%0.782SS**  trans-118.9139.5144.634.8-26.3000112.4
1558S30.6Very low33.6Very low102 Ų102152.6 Ų152.671%0.71379%0.785SS**  trans-56.8146.6167.848.50000113.8
1559Y35.3Very low33.7Very low232 Ų232150 Ų15091%0.9178%0.777SS**  -150.8141.8124.1-102.7-69.6000111.5
1560S32.3Very low33.8Very low97 Ų97151.7 Ų151.768%0.67879%0.787SS**  trans-84.6153-174.350.70000113.6
1561I37.5Very low33.8Very low170 Ų170152.4 Ų152.487%0.87278%0.781SS**  -162.3145.2111.5-95.6151.7000110.5
1562D36Very low34Very low113 Ų113146.1 Ų146.160%0.60477%0.771SS**  trans-54154.8-166.3-92.2-34.6000120.8
1563K33.3Very low33.9Very low151 Ų151150.5 Ų150.566%0.65777%0.772SS**  trans47.2127.2133.8-54.5157.6-170.4145.10118.3
1564Y32.2Very low34.1Very low206 Ų206154.9 Ų154.981%0.80878%0.779SS**  cis-135.7130.521.7-80.5-104.1000112.2
1565I33.8Very low34Very low166 Ų166153.8 Ų153.885%0.85178%0.776SS**  trans-98.8106.8160.7-61.7176.1000107.4P1567I1565-P1567 VanDerWaalsContact O-CD 3.3Å; I1565-P1567 WeakPolarHBondContact O-CD 3.42Å
1566I33.2Very low33.7Very low141 Ų141153.5 Ų153.572%0.72378%0.779SS**PPolyproline II helixtrans-76.6116175.3-61.1176.6000108.7R1568I1566-R1568 PolarHBondContact O-N 2.98Å
1567P34.1Very low33.2Very low105 Ų105155.2 Ų155.268%0.68278%0.779SS**PPolyproline II helixtrans-70.9123.9174.129.7-32.8000109.3I1565 P1569I1565-P1567 VanDerWaalsContact O-CD 3.3Å; I1565-P1567 WeakPolarHBondContact O-CD 3.42Å; P1567-P1569 VanDerWaalsContact O-CD 3.22Å; P1567-P1569 WeakPolarHBondContact O-CD 3.44Å
1568R31.9Very low32.8Very low239 Ų239157 Ų15790%0.90278%0.781SS**PPolyproline II helixtrans-63.7118.5173.6-80.1-169.3173-168.6-1.7109.5I1566I1566-R1568 PolarHBondContact O-N 2.98Å
1569P34.9Very low32.8Very low102 Ų102156.6 Ų156.666%0.66278%0.783SS**PPolyproline II helixtrans-67.2135.2-172.1-2435.8000113.3P1567 L1571P1567-P1569 VanDerWaalsContact O-CD 3.22Å; P1567-P1569 WeakPolarHBondContact O-CD 3.44Å; P1569-L1571 HydrophobicContact CB-CD1 4.36Å; P1569-L1571 HydrophobicContact CB-CG 4.06Å; P1569-L1571 PolarHBondContact O-N 3.49Å; P1569-L1571 VanDerWaalsContact O-N 3.11Å
1570V32Very low32.5Very low152 Ų152151 Ų15192%0.92178%0.779SS**  trans-8086.7168.9-178.90000108.5
1571L33.3Very low32.4Very low146 Ų146150.3 Ų150.376%0.76477%0.774SS**PPolyproline II helixtrans-89.2140.8-179.1-76.2168.8000113P1569P1569-L1571 HydrophobicContact CB-CD1 4.36Å; P1569-L1571 HydrophobicContact CB-CG 4.06Å; P1569-L1571 PolarHBondContact O-N 3.49Å; P1569-L1571 VanDerWaalsContact O-N 3.11Å
1572P33.6Very low32.2Very low104 Ų104153 Ų15368%0.67577%0.774SS**PPolyproline II helixtrans-82.5157.7-172.933.4-36.6000113.5R1574P1572-R1574 PolarHBondContact O-N 3.45Å
1573R32.3Very low32.1Very low225 Ų225154 Ų15485%0.84978%0.78SS**PPolyproline II helixtrans-61.8126.3170.9-80.7-172.6169.5100.37.1111.7
1574R35.5Very low31.9Very low236 Ų236154.8 Ų154.889%0.89179%0.79SS**  trans-132.9172.5155.6-73.9-166171.1-159.7-0.7110.4P1572P1572-R1574 PolarHBondContact O-N 3.45Å
1575H30.5Very low31.9Very low183 Ų183150.7 Ų150.785%0.84779%0.786SS**  trans-102.2158-171.9-63.4-115.1000111.7
1576S29.6Very low31.8Very low113 Ų113149.1 Ų149.179%0.7978%0.784SS**  trans65.1152.5169.9-93.60000116.2
1577M27.6Very low31.7Very low153 Ų153146.5 Ų146.575%0.75478%0.779SS**  cis-155.6-173.5-15.1-142.5175.974.300108.9
1578L30.3Very low31.5Very low162 Ų162147.8 Ų147.885%0.84878%0.779SS**  trans70173.4168.5-66.9162.7000116.5
1579A29.4Very low31.5Very low92 Ų92147.7 Ų147.776%0.7678%0.781SS**  trans-145174.2-152.800000113.1
1580S29.7Very low31.4Very low116 Ų116146.5 Ų146.581%0.81179%0.787SS**  trans69.3152.6177.7-124.70000114.5
1581S29.7Very low31.4Very low82 Ų82148.3 Ų148.357%0.57378%0.783SS**  cis-170.2148.9-21.832.50000108.4
1582Y34.4Very low31.5Very low226 Ų226147 Ų14789%0.88678%0.781SS**  trans-143.598.8166.6-92.6-73.3000113.8
1583N32.1Very low31.5Very low134 Ų134150 Ų15072%0.71779%0.786SS**  trans21.6136.6138.4-53-9.8000121.1
1584L30.5Very low31.6Very low168 Ų168146.2 Ų146.288%0.8878%0.781SS**  -164.5152.9117.6-113.6157000112.6
1585V32.6Very low31.7Very low119 Ų119140.8 Ų140.872%0.72178%0.777SS**  trans83.5100.7169.8-169.80000118.5
1586V31.8Very low31.8Very low133 Ų133143.4 Ų143.481%0.80679%0.789SS**  45130.2122.6-178.80000118.3
1587S30Very low31.9Very low87 Ų87145 Ų14561%0.60879%0.789SS**  cis-155.5159.918.3-134.80000115.5
1588D30.4Very low32.1Very low131 Ų131144.5 Ų144.570%0.70179%0.791SS**  trans65.6142.5146.3-56.5-44.6000125.5
1589Y31.3Very low32.2Very low237 Ų237143.6 Ų143.693%0.92979%0.788SS**  trans62.7128.5168.6-64.5-74.7000121.3
1590G33.9Very low32.4Very low77 Ų77146.6 Ų146.679%0.79479%0.789SS**  trans119.266.3154.800000119
1591F30.6Very low32.6Very low190 Ų190148.5 Ų148.583%0.83379%0.788SS**  trans-69.4157.9157-85.5-113.2000109.4
1592T35.2Very low32.8Very low118 Ų118152.9 Ų152.972%0.72480%0.802SS**  cis-156.6142.148.244.40000115.9
1593H35.1Very low32.7Very low168 Ų168147.7 Ų147.778%0.77880%0.796SS**  trans55.2101.7142.3-67.9-69.7000123.3
1594L34.3Very low32.7Very low145 Ų145148.8 Ų148.876%0.75980%0.803SS**  trans-79.8162.6137.1-108.6163.7000109.2
1595P35.9Very low32.9Very low123 Ų123147.2 Ų147.280%0.79980%0.796SS**  -152.4149.469.540-20000118.7
1596H33.8Very low32.9Very low238 Ų238149.7 Ų149.7100%1.10280%0.803SS**  -148.80106.2-149-44.1000110.7

Retrieved 1,596 of 1,596 residues in 1096.9 ms (Link to these results)