X2JEM2_DROME Loading...

Secretory 16, isoform I

AlphaFold DB , UniProt , Accession X2JEM2, Species DROME (Drosophila melanogaster, Fruit fly), Gene Sec16, Length 2,326 aa.

>X2JEM2_DROME|X2JEM2|Sec16
MLHNNAPWLPPHQQQQQQAPQQHPTPQQQHAMPQQQQTLPAQQQQQQVYASQMFQQHQPNYWPEDQHQQQQQPQSLNYNNYFPGQQQQHPMQQQQLPPQQQLPPQQQQPTQQQHTIQQQLYYPTQQQPQVPAPAEPALDSFDNNNSGGGGGGGRSDGWGDWGDWNDNSNNNNSNGTDGLLEPTGQLLEDSFNVQSSQGSWQAFATSNNVNNNGELPPPANPQSTSLQQQPLNQQSIPLLHQQPQSPPELGQEPELDAIVPPQAFQNQPPTAAPPPTSLTSFSAQMTAVGSPIYAVGASSAHSAGVGASPAPPTGVVAPPAHLAGIGAPPAHLAGVGASPAPSALVGASPAPIIGVGAPPVGAPPVGAPPADATTIAPPAALPPSIVPSSGSNPFKRSTGLNKRVNIMADPAAGAPSPPAPAAAIAPVAPVAPIPPPADQLFGMPAEAHGEGFNLIAAPPVEASLGTPLSAPIPAPIPVPNASLYASPAVPQAFAHLEPDNQEVLSAPNDERAQYLQTSHLSEQLGEGEADQDAGLLPPPGLSRLVLGQPELDSQQQRQVTGATEQPPLNVAQAAALHMQERRADGEDTSDGEQQVRNIQTPPRRVVTGVETNAPSLREQREVVLDGENLEDREAIPPPTLAELPTTSVHHNILPDEAEQLHHNNPPQAMTPLNAQQPHQQQSTLQQQHQQHSTTQQEKKRAAVGRRTTASLDLESDESDEFLQSERERDRERERRDLMEERHSRGRSHSHYPYEGETEDSVRGAAHHETKSLRETHHKRNHDSARSRRHQDPKVERERERDRERDRTWRRRSNKYHSGGEDPDRSYDHSRRYNNSNYEGESDNPEYNHMGDAELDGSGGRSSKTSRHRRSAAEEDFDDYERERNRSRRSTKPQSSAEKSRSSGGRRNYENSGRSARADDGRRRYQDQRNPGAQYPVSATGYVPYGMYEQMSRNPQVYADMYAKFYGQMINSMNAAVSAAASKGGVPAGAGVIPGLMPSAVPVSAAQLVAATSGGSVSGSSEAAMLRERERYTHAYITQANEFHRHQYKELIYQQQQQQQQQQQQQQQREDHLNSSFSVAEDNASFYGSHGGGSIYNQYQSYPLSSARSLSNLNGDGRNSRCGPYYAGSECGLDIRAAADAAPSTYGGVAGTAGPVTNTAVARPPRRRTPLQFSRPHLVASYAMSLLLKVKPKYAGRGRLRNDVEVAPPRIRDGTSSLLRMYPGPLQGRKLHKDKIISFCKEQIRLGPTKGCTALYATQKKPQGSVTKYRASHALMWHLLILLLRQNGYIADTDVGDLLLENQQEYPYDPSEFEAENEPDADAEQDAAAPADKTVDSDLDSESAAGVTPAEPLAAGAATSSINGADAANAATPLSEQAATDKFRSYVLRGNVEEALQWATDNGLWTHAFFLALYEDRYALTDVAQKFLNRAIKANDPLQTLYQMKSCHTPACVSQLRDEQWGDWRSHLSILVTNKSRQPEYDRSSVVALGDTLFQRGDIYAAHFCYLVAQEEFGRYDSSATELTTLTANVPRLILLGSSHYKHFNEFASNEAIIMTEIYEYARSLFDPKFSIAHFQHYKFLLATRILDYGQHFRCTNYLEQIARHIELKPESYDSNFIQRVCGLAERLRYHDPILINRVSFASPPNATSKDSAAAEEKAWLRQLRSLAYVQPQQEQLQQLQQNQQVQQEQNDIDQQFAEVNKQFRELNMQYESNSNMENTLQPQLPPVDQQPPQQQQQVLSESYQQPTQQYYEPPPQAPTESDPYGQGQPSYYDPNAGQLHYDPNAAQHQYDQQQPQPQPTPSYGQIEPGTEAYQPGQATADPAAVPSGYGYDYWSGTQQPPYGDEPNENQAALKDEEEEDEEQDEQQILQYAKQQILQQTKQQQLQQEQHTRSNGAASINNRFKSNALKQERSSGSLRKRQEASRTATIAAAAAAIAQITPATVAAAATPPAASAKAFNLNDVSSFSSTNKRHQATSSSNNRSSSNQAAAAAAATKAAAIATVPAAPNQLLSCRKSNSQNSPYLATPKTLTTPTRFIAAKAATVTATPTAPATSTTTSTTIGARGSSTKRVYFNLPSTIAESEQEFEHELDYDEEMEEENSMALAQAKPNVHLARKPHIVFNGTYPIDMPLTQGQSQLKSNSYDPEANADRGDLQRYRNYMLHDYVIDEDAEGEEQAEEEGEEDEYGDGDEDLFPYADDDESFDDGDYYTHQLLNKYGIIPSGEKQRVERTPASVEAATSAAQPQHVWSMKELIANPAIPLNYKKMCSEVEQSLSRFENYLDSKKEQQVPPGAAVRTFDIDAPTRRGHRSSTSTNAGLDLRSKKKL
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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
1M29.3Very low32.2Very low187 Ų187121.4 Ų121.492%0.92165%0.646SS**  01110-77.9166.9171.900108.1
2L29.8Very low32Very low124 Ų124115.5 Ų115.565%0.64961%0.612SS**  59.8110127.5-49.7163.8000117K1996L2-K1996 CarbonylContact C-O 3.6Å
3H31.7Very low31.6Very low127 Ų127111.4 Ų111.459%0.58859%0.587SS**  cis-150.81712.6-112.9113.9000113.3K1996 A1997H3-K1996 PolarHBondContact N-O 2.91Å; H3-K1996 VanDerWaalsContact O-CB 3.23Å; H3-K1996 WeakPolarHBondContact O-CB 3.27Å; H3-A1997 PolarHBondContact N-O 3.31Å
4N31.3Very low31.4Very low116 Ų116108.2 Ų108.262%0.6257%0.567SS**  trans-64.6159.4171.7-90.9-32.5000111.8
5N29.4Very low31.2Very low95 Ų95107.7 Ų107.751%0.50856%0.561SS.*  41125.478.8-65-14000111.5K1996N5-K1996 PolarHBondContact OD1-NZ 2.85Å
6A33.2Very low30.9Very low85 Ų85110.3 Ų110.370%0.70257%0.569SS**  50.3132.770.900000111.9
7P38.9Very low31Very low114 Ų114114.6 Ų114.674%0.7459%0.587SS**  cis-149.5173.846.444.4-25.2000118.2
8W24.6Very low31Very low224 Ų224117.3 Ų117.385%0.84860%0.596SS**  trans28.1113.4134.5-66.959.1000122
9L27.9Very low31.6Very low143 Ų143115.9 Ų115.975%0.74961%0.605SS**  trans72.8165132.4-81.6154.7000117
10P43.9Very low31.8Very low87 Ų87115.1 Ų115.157%0.56561%0.606SS**  trans-114-178.7-130.447.6-38.5000111.6
11P34.7Very low31.6Very low33 Ų33117.3 Ų117.321%0.21461%0.613CS.*  -157.3154.985.247.9-29.6000117.3Q1867P11-Q1867 HydrophobicContact CB-CB 3.85Å; P11-Q1867 HydrophobicContact CB-CG 3.64Å; P11-Q1867 HydrophobicContact CG-CB 3.65Å; P11-Q1867 HydrophobicContact CG-CG 3.98Å
12H29.1Very low31.9Very low51 Ų51117.2 Ų117.224%0.23661%0.611CS.*  62.9105.3122-65.6-161000125.3Q1866 Q1867 Q1870H12-Q1866 WeakPolarHBondContact CB-O 3.32Å; H12-Q1866 CarbonylContact O-C 3.28Å; H12-Q1867 PolarHBondContact ND1-O 3.33Å; H12-Q1870 VanDerWaalsContact CA-CB 3.42Å; H12-Q1870 HydrophobicContact CB-CB 3.15Å; H12-Q1870 HydrophobicContact CB-CG 4.09Å; H12-Q1870 PolarHBondContact CD2-OE1 3.22Å; H12-Q1870 PolarHBondContact NE2-OE1 3.09Å
13Q27.6Very low31.9Very low62 Ų62118.8 Ų118.829%0.2962%0.615SS.*  trans-7.9139.2152.8-73.2148.517.600118.5L1869 Q1870 K1873Q13-L1869 CarbonylContact O-C 3.55Å; Q13-L1869 VanDerWaalsContact O-C 3.28Å; Q13-L1869 VanDerWaalsContact O-CB 3.28Å; Q13-L1869 WeakPolarHBondContact O-CB 3.34Å; Q13-Q1870 HydrophobicContact CB-CB 3.7Å; Q13-Q1870 HydrophobicContact CB-CG 4.16Å; Q13-Q1870 VanDerWaalsContact CD-CG 3.45Å; Q13-Q1870 HydrophobicContact CG-CB 4.25Å; Q13-Q1870 HydrophobicContact CG-CG 4.13Å; Q13-Q1870 PolarHBondContact O-N 3.04Å; Q13-Q1870 VanDerWaalsContact O-N 3.11Å; Q13-Q1870 VanDerWaalsContact OE1-CG 3.27Å; Q13-K1873 HydrophobicContact CB-CD 4.25Å; Q13-K1873 HydrophobicContact CG-CD 4.09Å
14Q28.2Very low32.6Very low67 Ų67118 Ų11831%0.31362%0.621SS.*  -166.4174.796.9-98.2-167.145.700109.3L1869 K1873Q14-L1869 HydrophobicContact CB-CB 4.04Å; Q14-L1869 HydrophobicContact CB-CD1 4.48Å; Q14-L1869 HydrophobicContact CG-CB 3.93Å; Q14-L1869 PolarHBondContact NE2-O 3.39Å; Q14-K1873 HydrophobicContact CG-CB 4.13Å; Q14-K1873 HydrophobicContact CG-CD 3.84Å; Q14-K1873 HydrophobicContact CG-CG 3.87Å
15Q27.9Very low32.6Very low101 Ų101118 Ų11847%0.47263%0.625SS.*  cis-128.6-89-12.5-147.7-173.964.700114.1K1873Q15-K1873 WeakPolarHBondContact O-CE 3.26Å; Q15-K1873 PolarHBondContact O-NZ 3.15Å
16Q27.7Very low33.3Very low148 Ų148118.1 Ų118.169%0.69263%0.631SS**  trans-105.7168.5-150-68.9179.66.700116.6
17Q32.1Very low33.2Very low185 Ų185122 Ų12286%0.86463%0.634SS**  trans-49.8133.7154.8-58158-2.500110.8
18Q31.6Very low33Very low163 Ų163123.3 Ų123.376%0.76263%0.631SS**  trans-134.5106143.1-72.7-160.99.400109.4
19A40.9Very low33.4Very low91 Ų91119.2 Ų119.275%0.75262%0.621SS**  trans-75.4162.9144.400000107.8
20P36.7Very low33.6Very low98 Ų98120.4 Ų120.464%0.63662%0.622SS**  -144142122.930.5-14.2000115.6
21Q27Very low33.1Very low162 Ų162120.9 Ų120.976%0.75763%0.634SS**  trans71.2147.7148.5-64.5174.66400117.2
22Q35.4Very low32.8Very low185 Ų185127.9 Ų127.986%0.86467%0.665SS**  cis-119.4157.920-67.7175.96.600115.4
23H30.1Very low33.5Very low158 Ų158130.7 Ų130.773%0.73169%0.689SS**  trans-72.4179.7175.1-73.2-100.8000112.1
24P46.2Very low33.5Very low110 Ų110135.3 Ų135.371%0.71471%0.71SS**  cis-140.1165.811.534.7-11.8000119.7
25T32.4Very low33.5Very low117 Ų117139 Ų13972%0.71873%0.727SS**  -13.9170.9129.619.20000119.8
26P43.1Very low33.6Very low96 Ų96141.8 Ų141.862%0.62374%0.74SS**  cis-144.1-170.11.442.1-22.3000117.6
27Q31.7Very low33.7Very low166 Ų166142.3 Ų142.378%0.77674%0.743SS**  trans69.7157.1152.4-75.9171.221.700117.6
28Q33.6Very low33.7Very low143 Ų143139.9 Ų139.967%0.66874%0.741SS**  cis-159.7177.66.3-128.9179.588.200108.5
29Q33.8Very low33.5Very low138 Ų138139 Ų13965%0.64574%0.74SS**  cis-151-86.82.6-164.4-16589.900114.3
30H31.7Very low33.7Very low168 Ų168140.2 Ų140.278%0.77874%0.741SS**  trans-145.4178.1-169.3-55.2-44000111.5
31A33.9Very low33.5Very low97 Ų97140 Ų14080%0.80275%0.747SS**  cis-156.5169.711.600000114.1
32M27.9Very low33.6Very low179 Ų179139.7 Ų139.788%0.88275%0.746SS**  trans-83.9-173.4160.2-73.9-166.6170.700110.7
33P44.1Very low33.2Very low111 Ų111137.3 Ų137.372%0.72174%0.735SS**  cis-146.21679.645.4-26000120.2
34Q27.7Very low33.4Very low159 Ų159136.4 Ų136.474%0.74373%0.731SS**  trans40.9154.2136.4-69.9-163.56.200126
35Q28.3Very low32.7Very low144 Ų144137.9 Ų137.967%0.67373%0.728SS**  trans76.8153.3153-78.5173.163.600117.1
36Q30.8Very low32.5Very low160 Ų160138.3 Ų138.375%0.74872%0.722SS**  cis-142.8-173.611.9-142.8168.660.800114
37Q28Very low31.9Very low159 Ų159141.4 Ų141.474%0.74373%0.728SS**  trans-85.7156.4-169-57.5155.2-20.700114.6
38T33.3Very low31.8Very low134 Ų134139.7 Ų139.782%0.82273%0.728SS**  trans-177.4138.9130.121.10000108.4
39L27.6Very low31.5Very low143 Ų143143.4 Ų143.475%0.74974%0.738SS**  cis73.3141.141.7-73.4164.9000113.7
40P43.7Very low31.1Very low118 Ų118140.4 Ų140.477%0.76674%0.737SS**  -138.9168.8-73.538-20.5000114.7
41A34.3Very low30.9Very low93 Ų93137 Ų13777%0.76973%0.732SS**  trans-164.4133.7147.900000108.3
42Q27.9Very low30.6Very low156 Ų156140.4 Ų140.473%0.72973%0.731SS**  cis85.2111.333.2-163-162.567.500114
43Q27.1Very low30.6Very low135 Ų135139.1 Ų139.163%0.63173%0.725SS**  trans65.7166.2156.9-75.5169.235.100116.3
44Q34.3Very low30Very low139 Ų139142.4 Ų142.465%0.6573%0.728SS**  cis-139.9130.39.4-134.2150.359.600107.5
45Q30.7Very low30.1Very low140 Ų140141.7 Ų141.765%0.65473%0.725SS**  79.8145.2103.6-82.4-165.24.600116.4
46Q29.6Very low30.1Very low127 Ų127141.5 Ų141.559%0.59372%0.724SS**  cis-169.3174.4-16-137.3173.921.900111.1
47Q29Very low30.2Very low161 Ų161141.2 Ų141.275%0.75272%0.722SS**  trans69161.1155-69.8169.653.800115.2
48V30Very low30.1Very low129 Ų129141.7 Ų141.778%0.78273%0.725SS**  cis-118.4148.99.4177.80000111.5
49Y27.5Very low30.4Very low222 Ų222139.5 Ų139.587%0.87171%0.712SS**  trans-112.8124.6172.7-165-91000109.5
50A26.5Very low30.2Very low74 Ų74138.6 Ų138.661%0.61271%0.708SS**  trans66.3157.216300000121.7
51S27.7Very low29.5Very low97 Ų97142.7 Ų142.768%0.67871%0.71SS**  trans87.599.6145.8-67.20000123.3
52Q26.4Very low29.1Very low168 Ų168148.7 Ų148.779%0.78571%0.713SS**  85137.7122.5-64.6-177.638.200122.4
53M27.6Very low29.3Very low152 Ų152145.9 Ų145.975%0.74971%0.708SS**  trans69.6110.3155.5-75.6-156.8-65.800121
54F32.8Very low29.5Very low180 Ų180147 Ų14779%0.78971%0.714SS**  trans63.5161.2157-71.1-100000115.3
55Q30.1Very low29.1Very low144 Ų144146.2 Ų146.267%0.67371%0.714SS**  cis-147.4147.6-0.7-155146.8-5.800111.6
56Q27.5Very low29.2Very low140 Ų140146.4 Ų146.465%0.65471%0.714SS**  trans29.3154.5150.1-67.9177.6-44.300124.9
57H31.9Very low29.6Very low154 Ų154146.6 Ų146.671%0.71372%0.715SS**  trans82.6122.9166.4-49.7-51000115.5
58Q26Very low29.9Very low170 Ų170143.1 Ų143.179%0.79470%0.699SS**  cis74.4146.745.5-74.9-149.748.300114.4
59P39.9Very low30Very low87 Ų87140.5 Ų140.557%0.56568%0.678SS**  cis-143.2-159-30.738.5-18.8000112.7
60N24.7Very low30.3Very low125 Ų125135 Ų13567%0.66866%0.66SS**  trans82.6157142.8-89.54.5000122.3
61Y28.6Very low30.6Very low203 Ų203138.9 Ų138.980%0.79667%0.666SS**  trans76.397.5153-74.9-54000120.8
62W25.7Very low30.5Very low220 Ų220143.1 Ų143.183%0.83368%0.675SS**  -17.8151.9113.7-61.993.2000114.5
63P32.7Very low31Very low97 Ų97139.6 Ų139.663%0.6367%0.666SS**  cis-122-168.935.97.720.6000112.7
64E30.6Very low30.9Very low159 Ų159141.1 Ų141.174%0.74367%0.672SS**  cis-142.5140.530.5-13895.8-175.500114.7
65D24.9Very low30.7Very low122 Ų122137.1 Ų137.165%0.65267%0.666SS**  trans-48.1153.9145.9-53.8-96.3000110.2
66Q33.1Very low30.7Very low143 Ų143138 Ų13867%0.66868%0.675SS**  -177.7142.978.3-89.3-165.410.200111.5
67H37.9Very low30.7Very low131 Ų131137.5 Ų137.561%0.60668%0.677SS**  trans70.2147.3136.5-65.4-176.5000119.7
68Q35.3Very low30.6Very low88 Ų88139.1 Ų139.141%0.41168%0.678SS.*  cis-158.7151.2-15.7-116.8166.51.900109.6M443Q68-M443 HydrophobicContact CB-SD 4.19Å; Q68-M443 HydrophobicContact CG-SD 4.07Å; Q68-M443 PolarHBondContact OE1-SD 3.2Å
69Q32.9Very low30.7Very low74 Ų74137.6 Ų137.635%0.34668%0.675SS.*  trans36.7144.5130.6-65.7176.154.300120.3M443Q69-M443 HydrophobicContact CB-CE 3.98Å; Q69-M443 HydrophobicContact CB-SD 3.75Å; Q69-M443 VanDerWaalsContact CD-SD 3.59Å; Q69-M443 HydrophobicContact CG-SD 4.23Å; Q69-M443 PolarHBondContact OE1-SD 2.82Å; Q69-M443 VanDerWaalsContact OE1-SD 3.38Å
70Q33.9Very low30.2Very low107 Ų107138.9 Ų138.950%0.568%0.677SS.*  cis-163.5162.314.6-127.8172.722.600112
71Q33Very low30.4Very low155 Ų155141.7 Ų141.772%0.72468%0.68SS**  trans43125.8150.1-69.5160.134.900120.5
72Q26Very low30.6Very low186 Ų186140.6 Ų140.687%0.86968%0.679SS**  71.4147.265.8-83.9-152.54.700115.5
73P35.3Very low31.4Very low94 Ų94135.6 Ų135.661%0.6168%0.676SS**  -134.8-174.9-121.945.8-31.7000115.2
74Q26.1Very low31.3Very low184 Ų184134.6 Ų134.686%0.8668%0.682SS**  trans55139.6152.9-73173.510.600118.7
75S27.7Very low31.6Very low97 Ų97134.2 Ų134.268%0.67868%0.681SS**  cis-166.8-154.1-2.256.20000108.1
76L32.1Very low32.1Very low162 Ų162134.3 Ų134.385%0.84868%0.677SS**  trans72116.3-173.8-45.7173.5000112.6
77N27.5Very low32.2Very low130 Ų130133.9 Ų133.970%0.69568%0.675SS**  cis748114.4-161.226.5000117.3
78Y28.4Very low32Very low188 Ų188134.7 Ų134.774%0.73768%0.679SS**  179.9132.5107.5-118.1-82.5000112.6
79N28.5Very low31.9Very low137 Ų137137.5 Ų137.573%0.73369%0.692SS**  trans59.2156160.5-78.5-18.2000120.5
80N28.7Very low32.2Very low114 Ų114139.7 Ų139.761%0.6171%0.713SS**  cis-173163.6-29.9-158.2-18.3000108.9
81Y30.6Very low32.1Very low184 Ų184142.1 Ų142.172%0.72273%0.726SS**  trans65.6149.8171.6-70.9-90.6000117.7
82F31Very low32.1Very low180 Ų180141.3 Ų141.379%0.78972%0.722SS**  cis-156.4-162.4-20.4-135-139.5000109
83P43.3Very low32.4Very low116 Ų116138.9 Ų138.975%0.75371%0.711SS**  trans-125178.2-133.642.9-24.5000117.9
84G30.9Very low32.3Very low75 Ų75140.8 Ų140.877%0.77371%0.712SS**  trans-171.2157.5167.400000113.2
85Q35.8Very low32.6Very low152 Ų152139.4 Ų139.471%0.7171%0.705SS**  trans-147.2159.6178.5-156.9-160.878.300110.7A431Q85-A431 WeakPolarHBondContact O-CB 2.92Å
86Q36.8Very low32.9Very low124 Ų124142.3 Ų142.358%0.57971%0.712SS**  trans72.9146.2173-70.9-170.414.200118
87Q35.7Very low33.2Very low133 Ų133140 Ų14062%0.62171%0.707SS**  cis-170.5-163.5-25.5-137.1174.416.500108.6
88Q32Very low33.9Very low148 Ų148138.9 Ų138.969%0.69271%0.707SS**  trans76.6146.8169.7-49.4-164.97.100116.9
89H33Very low34.1Very low147 Ų147137.9 Ų137.968%0.68171%0.709SS**  cis-161.3143.5-24.4-105.3-48.2000109.7
90P39.1Very low34.5Very low120 Ų120137.9 Ų137.978%0.77971%0.705SS**  trans-90.3147.8167.735.4-32.5000112.3
91M33.3Very low34.7Very low159 Ų159139.4 Ų139.478%0.78371%0.708SS**  trans-152.6130.4-178.5-87.9-105.8-85.500107.2
92Q31.9Very low34.8Very low137 Ų137136.7 Ų136.764%0.6471%0.705SS**  cis-144.1-161.210.1-53.6-173.8-12.200109.3
93Q33.6Very low35.3Very low136 Ų136133.3 Ų133.364%0.63670%0.702SS**  cis-162.1165.35.6-148-179.294.900111.6
94Q33.4Very low35.3Very low134 Ų134133 Ų13363%0.62670%0.699SS**  trans73.3100.5142.2-142.2149.779.500123.2
95Q31.9Very low35.2Very low154 Ų154135.6 Ų135.672%0.7269%0.691SS**  trans62.2111.6132.2-62.6165.38.100120.1
96L32.6Very low35.1Very low158 Ų158138 Ų13883%0.82770%0.703SS**  77.5148.278.9-78.4165.3000115.5
97P38.9Very low35.1Very low115 Ų115139 Ų13975%0.74771%0.707SS**  cis-124.1-91.73.921.25.7000120.5
98P43Very low34.6Very low106 Ų106141.1 Ų141.169%0.68872%0.717SS**  trans-138.5-175.1-139.444.6-23.9000120.4
99Q32.7Very low34.4Very low166 Ų166139.2 Ų139.278%0.77672%0.718SS**  trans76.8137.1173.8-57.3-159.728.600117.3
100Q35.3Very low34.2Very low138 Ų138137.9 Ų137.965%0.64572%0.72SS**  cis-167.8157.4-7.4-111.7-167.198.900106.1
101Q34.6Very low33.8Very low146 Ų146138.8 Ų138.868%0.68271%0.714SS**  cis-135.9151.7-0-90.1-158.311.300107.7
102L31.3Very low33.6Very low127 Ų127137.6 Ų137.667%0.66571%0.706SS**  70.7130.966.1-64.7170.1000116.1
103P42.7Very low33.5Very low109 Ų109137.9 Ų137.971%0.70871%0.708SS**  cis-135.2-170.2-17.742.7-24.2000113.2
104P42.7Very low33.4Very low109 Ų109137.5 Ų137.571%0.70871%0.706SS**  -132.6172.9-66.140.8-26000112.7
105Q29.2Very low33.2Very low130 Ų130135.6 Ų135.661%0.60770%0.703SS**  cis-163.7157.2-26-105.2176.432.700107Q107Q105-Q107 HydrophobicContact CB-CG 4.39Å
106Q32.7Very low33Very low202 Ų202132 Ų13294%0.94469%0.688SS**  trans-78.8120.6157-72.8-176.7-3.500109.3
107Q37.4Very low32.7Very low145 Ų145129.7 Ų129.768%0.67867%0.673SS**  trans-139.7132166.5-69.7-171.611.800110.1Q105Q105-Q107 HydrophobicContact CB-CG 4.39Å
108Q25.4Very low32.2Very low177 Ų177126.8 Ų126.883%0.82765%0.65SS**  trans-79.3140137-76.4-173.4-3.600106.1
109P28.6Very low31.3Very low108 Ų108128 Ų12870%0.70165%0.646SS**  -145.3107.965.736.4-16.3000116.1
110T28.7Very low30.9Very low120 Ų120127 Ų12774%0.73665%0.645SS**  -146.3113.7124.619.90000105.6
111Q29.4Very low30.5Very low138 Ų138128 Ų12865%0.64565%0.645SS**  65.9109.980.5-72.5-156.176.300113.4
112Q29.7Very low30Very low135 Ų135131.1 Ų131.163%0.63165%0.651SS**  76.9129.7121.3-68.6-164.721.300119.7
113Q30.5Very low30.2Very low143 Ų143129 Ų12967%0.66865%0.645SS**  trans74.9108.2130.4-71.1-158.57600116.6
114H30.2Very low29.3Very low128 Ų128127.5 Ų127.559%0.59363%0.634SS**  91.512269.5-90.5-15.9000111
115T29.2Very low28.5Very low94 Ų94126.5 Ų126.558%0.57762%0.62SS**  116.692111.9-73.50000120.5
116I29.3Very low28.6Very low78 Ų78126.5 Ų126.540%0.462%0.62SS.*  77.4153.893.9-75.2177.2000119.7V427 A428I116-V427 HydrophobicContact CB-CB 4.35Å; I116-V427 HydrophobicContact CB-CG1 4.27Å; I116-V427 HydrophobicContact CB-CG2 3.53Å; I116-V427 HydrophobicContact CD1-CB 4.22Å; I116-V427 HydrophobicContact CD1-CG1 4.02Å; I116-V427 HydrophobicContact CD1-CG2 3.49Å; I116-V427 VanDerWaalsContact CD1-CG2 3.49Å; I116-V427 HydrophobicContact CG1-CB 4.24Å; I116-V427 HydrophobicContact CG1-CG1 4.37Å; I116-V427 HydrophobicContact CG1-CG2 3.15Å; I116-V427 HydrophobicContact CG2-CB 3.7Å; I116-V427 HydrophobicContact CG2-CG1 3.23Å; I116-V427 HydrophobicContact CG2-CG2 3.44Å; I116-V427 VanDerWaalsContact CG2-CG2 3.44Å; I116-A428 HydrophobicContact CD1-CB 4.16Å
117Q25.8Very low28.2Very low109 Ų109121.7 Ų121.751%0.50960%0.598SS.*  trans74.6-176.6163.1-100.6-78.8-7.700117.7A425 P426 V427Q117-A425 PolarHBondContact NE2-O 2.97Å; Q117-P426 PolarHBondContact NE2-O 2.79Å; Q117-V427 HydrophobicContact CG-CB 4.05Å; Q117-V427 HydrophobicContact CG-CG1 3.79Å
118Q27.6Very low27.9Very low54 Ų54118.5 Ų118.525%0.25259%0.59SS.*  trans-125.5163-153.1-151.2-152139.600110.3A423 I424 A425Q118-A423 PolarHBondContact OE1-O 2.9Å; Q118-I424 VanDerWaalsContact CD-N 3.26Å; Q118-I424 HydrophobicContact CG-CB 3.92Å; Q118-I424 HydrophobicContact CG-CG2 4.46Å; Q118-I424 PolarHBondContact NE2-O 2.98Å; Q118-A425 PolarHBondContact NE2-O 3.43Å
119Q25.3Very low27.8Very low132 Ų132114.7 Ų114.762%0.61757%0.572SS**  trans68.9153.7157.8-70-80.63.400117.9
120L23.2Very low27.8Very low145 Ų145112.9 Ų112.976%0.75956%0.559SS**  trans71.8135159.9-71.6162000118.5
121Y26.2Very low28Very low160 Ų160110.5 Ų110.563%0.62755%0.545SS*.  trans77.793.9157-81.4-123.5000120.3L541Y121-L541 HydrophobicContact CE1-CD2 3.68Å; Y121-L541 WeakPolarHBondContact OH-CD2 3.2Å
122Y24.2Very low28Very low210 Ų210106.5 Ų106.582%0.82454%0.535SS*.  -45.5160.6119.4-89.7-94.8000112.1
123P36.1Very low28.2Very low83 Ų83103 Ų10354%0.53952%0.524SS..  cis-111.2-151.9-37.215.89.2000108
124T24.7Very low28.2Very low78 Ų7899.3 Ų99.348%0.47952%0.519SS..  cis179.8147.539.5-10.60000110.3
125Q25.6Very low28.1Very low88 Ų88100.1 Ų100.141%0.41152%0.523SS..  trans68.5147.5150.6-52.8-94.5-40.800117.9P537 P538Q125-P537 PolarHBondContact NE2-O 2.91Å; Q125-P537 VanDerWaalsContact OE1-C 3.26Å; Q125-P537 PolarHBondContact OE1-O 3.27Å; Q125-P538 HydrophobicContact CG-CB 3.77Å
126Q30.1Very low28.5Very low130 Ų130101.4 Ų101.461%0.60753%0.533SS*.  cis-107.9158.3-10.6-93.7104.735.800109.1L536Q126-L536 HydrophobicContact CG-CD2 4.41Å
127Q25Very low28.4Very low101 Ų101101 Ų10147%0.47254%0.541SS..  54.4147.763.8-95.5-150.16.700113.4
128P31.3Very low28.7Very low78 Ų78103.2 Ų103.251%0.50656%0.556SS.*  cis-141.3-157.6-46.434.6-13.9000110.8
129Q24Very low28.8Very low96 Ų96107.6 Ų107.645%0.44958%0.581SS.*  trans69.5150144.3-84.7-172.3-71.800115.9D532Q129-D532 PolarHBondContact NE2-OD1 3.36Å
130V27.8Very low29Very low71 Ų71105.1 Ų105.143%0.4358%0.578SS.*  cis165.3162.5-0.1104.30000104.4D532V130-D532 WeakPolarHBondContact CG2-OD1 3.4Å
131P33.6Very low29.4Very low69 Ų69106.5 Ų106.545%0.44858%0.578SS.*  cis-137.7-150.3-16.841.1-21.3000113D530 Q531P131-D530 WeakPolarHBondContact CB-OD2 3.22Å; P131-D530 WeakPolarHBondContact CG-OD2 3.44Å; P131-Q531 VanDerWaalsContact CA-NE2 3.31Å; P131-Q531 HydrophobicContact CB-CB 3.92Å; P131-Q531 HydrophobicContact CB-CG 4.32Å; P131-Q531 VanDerWaalsContact CB-NE2 3.32Å
132A29.4Very low29.6Very low54 Ų54104.9 Ų104.945%0.44658%0.581SS.*  trans70.7161.8163.400000118.9D530A132-D530 WeakPolarHBondContact CA-OD1 3.31Å; A132-D530 WeakPolarHBondContact CA-OD2 3.24Å; A132-D530 HydrophobicContact CB-CB 4.47Å; A132-D530 VanDerWaalsContact CB-OD2 3.3Å; A132-D530 WeakPolarHBondContact CB-OD2 3.29Å; A132-D530 VanDerWaalsContact N-CG 3.26Å; A132-D530 PolarHBondContact N-OD1 3.14Å; A132-D530 PolarHBondContact N-OD2 2.91Å
133P33.6Very low29.7Very low61 Ų61100.5 Ų100.540%0.39657%0.571SS.*  cis-146149.8-28.342.9-25.5000116.3E528 A529P133-E528 HydrophobicContact CB-CB 3.83Å; P133-E528 HydrophobicContact CB-CG 4.04Å; P133-E528 HydrophobicContact CG-CB 4.32Å; P133-E528 HydrophobicContact CG-CG 3.96Å; P133-E528 WeakPolarHBondContact CG-OE1 3.23Å; P133-A529 VanDerWaalsContact CB-N 3.34Å
134A29.2Very low29.4Very low67 Ų67102.7 Ų102.755%0.55458%0.578SS**  trans-162.6122172.200000119.6E528A134-E528 VanDerWaalsContact C-C 3.4Å; A134-E528 CarbonylContact C-O 3.57Å; A134-E528 VanDerWaalsContact CA-C 3.48Å; A134-E528 VanDerWaalsContact N-CA 3.29Å
135E28.1Very low29.5Very low144 Ų144105.4 Ų105.467%0.67359%0.59SS**  trans167.5148.5167.7-94.7-136.3174.400108.3G527 E528E135-G527 CarbonylContact C-O 3.58Å; E135-G527 PolarHBondContact N-O 2.82Å; E135-G527 CarbonylContact O-C 3.33Å; E135-E528 PolarHBondContact N-O 2.67Å; E135-E528 PolarHBondContact O-N 2.86Å
136P37.5Very low29.5Very low122 Ų122106.2 Ų106.279%0.79261%0.605SS**  cis-140.1-166.943.942.8-24.9000114.9
137A28.3Very low29.4Very low69 Ų69103.8 Ų103.857%0.5762%0.615SS**  cis175.5130.9-49.100000107.5
138L32.2Very low29.5Very low156 Ų156103 Ų10382%0.81764%0.635SS**  trans-166.1102.1162.6-114.1171.8000111.9
139D29.8Very low29.2Very low145 Ų145103.3 Ų103.378%0.77565%0.652SS**  trans55.2142.4153.5-62.5-13.6000123.6
140S29.3Very low29.4Very low81 Ų81102.9 Ų102.957%0.56667%0.673SS**  cis-169.6168.4-28-153.60000112.3
141F31.4Very low29.5Very low173 Ų173103.5 Ų103.576%0.75969%0.694SS**  trans6696.2162.9-61.9-63.6000120.6
142D30.2Very low29.3Very low127 Ų127104.1 Ų104.168%0.67971%0.713SS**  54.4152.3104.3-73.1-33.6000122.8
143N27.4Very low29.5Very low118 Ų118104.9 Ų104.963%0.63173%0.726SS**  cis-172.9167.5-34.3-136.9-43.6000111.1
144N28.2Very low29.4Very low128 Ų128113.1 Ų113.168%0.68475%0.749SS**  trans58.2106.6145-79-44.1000123.2
145N27Very low29.3Very low135 Ų135114.4 Ų114.472%0.72275%0.754SS**  91.5136.497.6-166.932000121.8
146S25.8Very low29.6Very low105 Ų105115.4 Ų115.473%0.73476%0.764SS**  trans64.7135.3150.2-800000121.3
147G28.5Very low29.4Very low79 Ų79112.1 Ų112.181%0.81475%0.753SS**  trans147.698.5152.100000113.7
148G26.6Very low29.5Very low86 Ų86121 Ų12189%0.88777%0.772SS**  trans-76.6-178.4-17400000116.6
149G26.5Very low29.5Very low83 Ų83116.9 Ų116.986%0.85677%0.766SS**  trans117.690.5139.800000117.9
150G27.4Very low29.5Very low88 Ų88115.4 Ų115.491%0.90776%0.759SS**  trans79.9168.9141.300000117.6
151G30Very low29.4Very low84 Ų84124.4 Ų124.487%0.86678%0.78SS**  trans173.6-36.5176.300000116.3
152G29.2Very low29.3Very low81 Ų81119.1 Ų119.184%0.83578%0.775SS**  trans77.2-179.9177.100000115
153G33.5Very low29.2Very low70 Ų70118.8 Ų118.872%0.72277%0.773SS**  trans91.374.6-16100000109.6
154R32.1Very low29.2Very low234 Ų234124.3 Ų124.388%0.88379%0.785SS**  49.5102.981.8-67.7-169.5172.5-164-3.2111.2
155S25.7Very low29.3Very low95 Ų95124.4 Ų124.466%0.66479%0.786SS**  69.171.967.981.20000112.8
156D34.6Very low29.6Very low164 Ų164124.7 Ų124.788%0.87779%0.787SS**  -124.8147.4116.1-69.5-56.3000106.4
157G33.6Very low29.7Very low54 Ų54127.3 Ų127.356%0.55779%0.793SS**  cis127.2125.80.900000110.2
158W30.7Very low29.9Very low255 Ų255128.2 Ų128.297%0.96679%0.787SS**  trans62.2112.2175.7-46.980.4000113.6
159G33.3Very low30.1Very low69 Ų69131.8 Ų131.871%0.71179%0.786SS**  cis87.614313.900000111.7
160D29.4Very low30.1Very low114 Ų114135 Ų13561%0.6178%0.783SS**  trans6787.7172.4-153.9-1.5000118G162D160-G162 WeakPolarHBondContact OD1-CA 3.35Å; D160-G162 PolarHBondContact OD1-N 2.92Å
161W27.4Very low30.1Very low270 Ų270137.8 Ų137.8100%1.02378%0.777SS**  -121.672.1129-94.466.2000106.3
162G27.6Very low30Very low62 Ų62140.6 Ų140.664%0.63977%0.773SS**  trans-117.47.1-174.400000114.6D160D160-G162 WeakPolarHBondContact OD1-CA 3.35Å; D160-G162 PolarHBondContact OD1-N 2.92Å
163D29.4Very low29.9Very low120 Ų120140.5 Ų140.564%0.64276%0.759SS**  trans-101.7137.8172.9-83.42.1000111.2
164W26.9Very low29.5Very low234 Ų234143.4 Ų143.489%0.88676%0.758SS**  cis-142174.8-7.8-109.411.6000109.8
165N31.4Very low29.3Very low131 Ų131135.9 Ų135.970%0.70175%0.753SS**  trans-109.6153.1-175.6-17067.1000113.4
166D32.2Very low29.5Very low141 Ų141137.2 Ų137.275%0.75476%0.757SS**  trans25.6134.8164.5-68.1-39.8000122.1
167N28.8Very low29.3Very low160 Ų160136.6 Ų136.686%0.85675%0.754SS**  -164.1170.7117.7-157.411.5000113.5
168S32.3Very low28.9Very low98 Ų98137.6 Ų137.669%0.68576%0.764SS**  trans-105.5156.7172.6-66.30000114.5
169N30.6Very low28.9Very low161 Ų161133 Ų13386%0.86176%0.758SS**  trans-8.7132.3165.9-56.7-5.4000119.6
170N26.9Very low28.8Very low149 Ų149136.6 Ų136.680%0.79776%0.76SS**  -169.3172.395.1-150.1-10.7000111.8
171N27.8Very low28.9Very low148 Ų148139.5 Ų139.579%0.79177%0.77SS**  trans-49130.2-178.3-65.3-7.6000115
172N26Very low29.7Very low143 Ų143131.2 Ų131.277%0.76575%0.751SS**  172.5143.190.8-169.142.7000113
173S27.3Very low29.9Very low79 Ų79135 Ų13555%0.55276%0.762SS**  trans49.8125.6154.763.30000121.8
174N25.6Very low30Very low130 Ų130132.3 Ų132.370%0.69576%0.763SS**  trans26129.3136.7-86.1-69.7000120.5E714N174-E714 PolarHBondContact ND2-OE1 3.18Å; N174-E714 PolarHBondContact ND2-OE2 3.06Å
175G28.8Very low30.2Very low76 Ų76130 Ų13078%0.78476%0.762SS**  trans173.8110.3157.600000115.8
176T28.8Very low30.4Very low123 Ų123130.7 Ų130.776%0.75576%0.764SS**  trans-61.6144.5147.949.90000109.5
177D30.4Very low30.3Very low151 Ų151129.8 Ų129.881%0.80776%0.759SS**  166.2155.3103.9-94.6-63.3000113.1
178G26.3Very low30.3Very low75 Ų75129.6 Ų129.677%0.77375%0.753SS**  trans-135.835.8-169.500000114.6
179L29.6Very low30.1Very low159 Ų159131.8 Ų131.883%0.83276%0.757SS**  trans-147.4129174.2-151.775.1000112.6
180L31.3Very low30Very low145 Ų145127.5 Ų127.576%0.75974%0.74SS**SBendtrans82.7102.6170.2-63.3164.8000120.3
181E30.6Very low30Very low175 Ų175129.6 Ų129.682%0.81874%0.742SS**  82.4149.2127.5-77.8-151.6106.100122
182P45Very low29.9Very low96 Ų96129.3 Ų129.362%0.62374%0.74SS**  -143.6-169.8-119.341.3-20000117.9
183T31.8Very low30Very low142 Ų142127.6 Ų127.687%0.87174%0.735SS**  trans74.8142.5166.165.70000117.9
184G32.7Very low30Very low63 Ų63132 Ų13265%0.64975%0.747SS**  cis-167.3145.3-5.300000110.6
185Q30.8Very low30Very low185 Ų185130.5 Ų130.586%0.86475%0.746SS**  56.7123.293.7-75.7-173.8-3.600113.3
186L34.2Very low30Very low145 Ų145132.2 Ų132.276%0.75975%0.746SS**  cis-156.7175.136.2-69.7177.7000111
187L31.8Very low30Very low122 Ų122136.1 Ų136.164%0.63976%0.756SS**  cis175.5144.6-27.9-172.873.9000109.3
188E28.4Very low30Very low157 Ų157132.3 Ų132.373%0.73475%0.752SS**  trans61.7158.8155-84.3155.3-146.700121.2
189D28.1Very low30Very low143 Ų143133.3 Ų133.377%0.76575%0.747SS**  cis-173.4172-23.3-130.918.4000108.7
190S28.4Very low29.7Very low71 Ų71135.7 Ų135.750%0.49775%0.746SS.*  cis-170.3143.3-29.7-117.90000112.8
191F25.8Very low29.6Very low194 Ų194137.4 Ų137.485%0.85175%0.75SS**  trans51.8169.3162.4-64.1-81.7000119.1
192N26.9Very low29.4Very low141 Ų141133.7 Ų133.775%0.75475%0.749SS**  cis-148.3170.38.9-156.23.3000114.5
193V28.5Very low28.6Very low108 Ų108139.6 Ų139.666%0.65577%0.765SS**  trans-56.9156.4178.6172.80000113.8
194Q25.6Very low28.5Very low172 Ų172137 Ų13780%0.80476%0.758SS**  cis-164.2161.343.6-148.5146.127.200117.1
195S26.6Very low28.3Very low97 Ų97140 Ų14068%0.67876%0.764SS**  trans54.599.3149.959.80000123.8
196S28.5Very low28.1Very low112 Ų112135.4 Ų135.478%0.78375%0.753SS**  51.5106.1128.3660000123.1
197Q28.3Very low27.9Very low205 Ų205135.7 Ų135.796%0.95876%0.755SS**  -138.4165.3125.5-83.1-160.2-10.900108.8
198G30.7Very low27.8Very low71 Ų71136.8 Ų136.873%0.73276%0.762SS**  trans-141.8141.5-173.400000115.4
199S26.3Very low28Very low96 Ų96134.2 Ų134.267%0.67176%0.756SS**  trans68141.8177.2-138.90000114.3
200W24.1Very low28Very low209 Ų209134 Ų13479%0.79276%0.755SS**  cis-147.4-175.834.2-84.990.2000113.6
201Q28.2Very low28.1Very low181 Ų181136.3 Ų136.385%0.84676%0.762SS**  trans85.490.7158.2-72.4156.831.600118.3
202A27.6Very low28.2Very low98 Ų98134.2 Ų134.281%0.8176%0.76SS**PPolyproline II helixtrans-47.2161.1160.400000116.2
203F26.7Very low28.4Very low219 Ų219131.1 Ų131.196%0.96176%0.761SS**PPolyproline II helixtrans-100.9153155.2-98.7-88.8000111.5
204A29.9Very low28.4Very low88 Ų88134.4 Ų134.473%0.72777%0.769SS**PPolyproline II helixtrans-98.9153.7-167.200000114.9
205T28.1Very low28.5Very low125 Ų125133.3 Ų133.377%0.76777%0.768SS**  trans-25.3153146.850.40000115.7
206S26.7Very low29Very low90 Ų90134.1 Ų134.163%0.62977%0.771SS**  cis-174.8173.7-2-95.10000108.6
207N31.6Very low29.7Very low151 Ų151134.1 Ų134.181%0.80777%0.769SS**  158.3108.4122.6-76.4-22.9000114.4
208N29.4Very low30Very low145 Ų145130 Ų13078%0.77576%0.759SS**  26.9142.3107.9-124.4-4.3000117.9
209V31.6Very low30.2Very low103 Ų103130.9 Ų130.962%0.62476%0.76SS**  cis-160.7140.233.8-169.60000112.1
210N29.4Very low30.2Very low137 Ų137133.6 Ų133.673%0.73377%0.767SS**  trans60.7168.1155.7-72.24.4000120.3
211N29.9Very low30.9Very low120 Ų120127.7 Ų127.764%0.64276%0.755SS**  cis-154.81545.4-130.5-4.5000113.5
212N28.5Very low30.9Very low151 Ų151127.2 Ų127.281%0.80775%0.753SS**  trans35.3140148.7-57.3-17.3000124.4
213G29.2Very low30.8Very low76 Ų76127.7 Ų127.778%0.78475%0.751SS**  trans164.494.7153.500000119.9
214E30.1Very low30.7Very low176 Ų176122.4 Ų122.482%0.82274%0.737SS**  trans29.5122.9145.6-75.2-179.481.200126.4
215L27.3Very low30.7Very low149 Ų149122.7 Ų122.778%0.7873%0.733SS**  68157.7119.3-68.2176.2000122.6
216P36.1Very low30.6Very low114 Ų114123.4 Ų123.474%0.7473%0.732SS**  trans-130.8-131.7-133.836.2-10.6000117.2
217P44.8Very low30.6Very low113 Ų113125.8 Ų125.873%0.73473%0.733SS**  -105.3-171.4-129.843.4-26.9000114.4
218P33.8Very low30.6Very low117 Ų117125.3 Ų125.376%0.7673%0.726SS**  -156.6177.895.842-23.9000117.3
219A34.6Very low31.1Very low90 Ų90127.4 Ų127.474%0.74473%0.731SS**  trans64.7126.2148.500000118.6
220N26.2Very low31Very low153 Ų153126.9 Ų126.982%0.81873%0.729SS**  cis62.6148.426.9-134.720.8000113.4
221P39.7Very low31.1Very low85 Ų85127.3 Ų127.355%0.55273%0.731SS**  cis-140.5179.7244.2-26.2000116.8
222Q27.4Very low30.9Very low171 Ų171126.6 Ų126.680%0.79973%0.727SS**  trans57.7157.9137.5-82.6175.1-41.100124
223S25.8Very low30.7Very low108 Ų108125.4 Ų125.476%0.75572%0.717SS**  trans71.1146.1154.8750000116.2
224T25.6Very low30.6Very low109 Ų109128.7 Ų128.767%0.66971%0.712SS**  cis-155.9149.9-14.811.70000104.8
225S28.7Very low30.6Very low93 Ų93125.4 Ų125.465%0.6571%0.708SS**  45153.384.6112.80000114.9
226L27.3Very low30.5Very low141 Ų141125.5 Ų125.574%0.73871%0.708SS**  trans80.8134.3-166.8-50.4172.4000111.9
227Q25.7Very low30.3Very low140 Ų140125.2 Ų125.265%0.65471%0.706SS**  cis-166.4-178.3-13.5-133.5176.6-5.700110.1
228Q30.8Very low29.8Very low141 Ų141126.6 Ų126.666%0.65971%0.707SS**  trans54.2102.2145.7-74176.884.400116.1
229Q40.1Very low29.6Very low188 Ų188127.2 Ų127.288%0.87970%0.703SS**  19.1105.763-89.1-156.911.800112.2
230P31Very low29.4Very low92 Ų92129.5 Ų129.560%0.59770%0.698SS**  -152.1-178.29443-28.6000114.4
231L29.6Very low29.4Very low147 Ų147126.3 Ų126.377%0.7768%0.678SS**  trans66.8142.3158.1-91.379000117.1
232N25.7Very low29.2Very low105 Ų105129.4 Ų129.456%0.56169%0.685SS**  cis-161.6156.7-18-137.211.4000113.5
233Q25.1Very low29.7Very low126 Ų126125.6 Ų125.659%0.58968%0.675SS**  trans28.8140.6132.4-71.4168.336.400122.4
234Q27.1Very low29.7Very low145 Ų145128.8 Ų128.868%0.67868%0.678SS**  trans67.8108.4147.6-64.714418.600115.5
235S30.5Very low30Very low107 Ų107128.8 Ų128.875%0.74868%0.683SS**  cis-152.3144.844.7-59.30000110.7
236I26Very low30.7Very low151 Ų151129.9 Ų129.977%0.77469%0.688SS**  cis56.691.76.5-48.9176.2000112.4
237P32Very low31.1Very low107 Ų107129.4 Ų129.470%0.69569%0.693SS**  -134.6171.773.829.4-9.1000113.7
238L32.8Very low31.1Very low143 Ų143130.6 Ų130.675%0.74970%0.699SS**  cis-160.6140.114.4-152.147.9000111.6
239L30.3Very low30.9Very low130 Ų130131.6 Ų131.668%0.68171%0.708SS**  trans51.7157.6151.6-62169.9000121.7
240H29.3Very low30.2Very low137 Ų137125.6 Ų125.663%0.63470%0.696SS**  cis-171.7178.9-41.5-109-12.2000111.4E627H240-E627 HydrophobicContact CB-CG 3.45Å; H240-E627 VanDerWaalsContact CB-CG 3.45Å; H240-E627 WeakPolarHBondContact CB-OE1 3.49Å; H240-E627 VanDerWaalsContact CD2-CD 3.42Å; H240-E627 WeakPolarHBondContact CD2-CG 3.36Å; H240-E627 IonicContact CD2-OE1 2.94Å; H240-E627 IonicContact CD2-OE2 3.53Å; H240-E627 IonicContact CE1-OE1 3.14Å; H240-E627 PolarHBondContact CE1-OE1 3.49Å; H240-E627 IonicContact CE1-OE2 3.18Å; H240-E627 IonicContact CG-OE1 2.77Å; H240-E627 IonicContact ND1-OE1 2.67Å; H240-E627 PolarHBondContact ND1-OE1 2.92Å; H240-E627 IonicContact NE2-OE1 3.88Å; H240-E627 IonicContact NE2-OE2 2.73Å
241Q27.1Very low30Very low86 Ų86130.9 Ų130.940%0.40271%0.713SS.*  trans-59.6165.1-164.1-90.2170.964.400123.4G626 E627Q241-G626 PolarHBondContact O-N 3.27Å; Q241-E627 HydrophobicContact CB-CB 4.5Å; Q241-E627 HydrophobicContact CB-CG 3.85Å; Q241-E627 WeakPolarHBondContact CB-OE1 3.36Å; Q241-E627 VanDerWaalsContact CD-OE1 3.27Å; Q241-E627 WeakPolarHBondContact CG-OE1 3.42Å; Q241-E627 PolarHBondContact N-OE1 3.47Å; Q241-E627 PolarHBondContact NE2-OE1 2.95Å; Q241-E627 PolarHBondContact NE2-OE2 3.43Å
242Q35.7Very low30Very low150 Ų150132.4 Ų132.470%0.70172%0.716SS**  1.8162.4122.2-79.8-175.1-8.200119.6G626 E627Q242-G626 CarbonylContact O-C 3.24Å; Q242-G626 VanDerWaalsContact O-C 3.26Å; Q242-E627 PolarHBondContact O-N 3.48Å
243P37.2Very low30.6Very low92 Ų92133 Ų13360%0.59773%0.725SS**  cis-148.1170.130.736.1-12.2000121.4
244Q26.6Very low30.7Very low174 Ų174134.4 Ų134.481%0.81373%0.732SS**  trans34.8117.7146.6-62.9-168.65.500126.5
245S31.2Very low31Very low110 Ų110133.6 Ų133.677%0.76973%0.732SS**  79.8159.1124.979.60000122.1
246P43.9Very low30.9Very low116 Ų116135.5 Ų135.575%0.75373%0.733SS**  trans-106.4174.2-153.542.1-37.7000116.8
247P36Very low31.2Very low131 Ų131131.8 Ų131.885%0.85173%0.725SS**  -144-164.6115.241.4-27.1000116.1
248E25.6Very low31.2Very low165 Ų165134.1 Ų134.177%0.77173%0.73SS**  trans-80.6162.6-163.9-78.617788.100119.9
249L25.6Very low31Very low162 Ų162133.4 Ų133.485%0.84873%0.731SS**  trans58.7143.9147-67.5162.2000120.1
250G25.2Very low31.5Very low62 Ų62132.7 Ų132.764%0.63974%0.735SS**  cis162.5-162.5-200000112.6
251Q26.9Very low32Very low203 Ų203131.3 Ų131.395%0.94974%0.738SS**  trans91.4155.3168.3-54.2-173.82.400119.7
252E29.8Very low32.2Very low179 Ų179136.1 Ų136.184%0.83676%0.76SS**  trans-110.4-176-160.1-53.3-178.6117.400113.8
253P38.4Very low32Very low116 Ų116132.5 Ų132.575%0.75376%0.756SS**  -122.4140.7101.535.6-32.5000113.3
254E26.9Very low31.9Very low157 Ų157136.4 Ų136.473%0.73476%0.764SS**  61.313480.7-100.7-167.7163.300114
255L33.9Very low32.1Very low127 Ų127135.5 Ų135.567%0.66576%0.76SS**  cis-142.7165.716.8-68.594.1000114.2
256D29Very low32.1Very low147 Ų147137.1 Ų137.179%0.78676%0.76SS**  trans66.7134.8146-72.5-29000121.8
257A31.3Very low31.2Very low73 Ų73140 Ų14060%0.60376%0.763SS**  cis-163.1159.5-7.700000113.3
258I31.7Very low31.7Very low157 Ų157139.1 Ų139.181%0.80576%0.758SS**  trans68.1109.2165.3-58.9156.8000115.1
259V28.9Very low32.4Very low127 Ų127137.3 Ų137.377%0.7776%0.76SS**  cis92.2106.940.3178.90000114.4
260P40.7Very low32.5Very low115 Ų115136.3 Ų136.375%0.74776%0.761SS**  trans-94.7-178.7163.939.7-34.7000111.9
261P40.1Very low32.7Very low108 Ų108138.5 Ų138.570%0.70177%0.773SS**  -158.5179.6110.543.6-26.2000117.4
262Q31.3Very low32.8Very low187 Ų187133.1 Ų133.187%0.87476%0.763SS**  trans69.9148.6157.1-70.4170.717.700119.7
263A31.9Very low33.2Very low74 Ų74130.6 Ų130.661%0.61276%0.762SS**  cis-169.3172.2-20.700000106.6
264F34Very low33.4Very low175 Ų175130.3 Ų130.377%0.76876%0.76SS**  cis-132.8149.912.4-87.9-99.4000108.6
265Q31.2Very low34.1Very low154 Ų154128.5 Ų128.572%0.7276%0.762SS**  67.3123.277.1-145.9158.237.100113.8
266N31Very low34Very low144 Ų144128.4 Ų128.477%0.7777%0.767SS**  cis-144.7170.421.4-128.9-10000113.4
267Q25.4Very low34.1Very low178 Ų178126.4 Ų126.483%0.83277%0.765SS**  trans-132.5164.2176.5-104.3-167.5-10.600113.4
268P47.1Very low34.1Very low112 Ų112130.1 Ų130.173%0.72777%0.773SS**  trans-108.6160.3174.840.4-33.6000114.8
269P39.3Very low34.1Very low127 Ų127128.8 Ų128.883%0.82577%0.773SS**  trans-126.5-160.5155.840.8-28.8000112.9
270T28.5Very low34.2Very low141 Ų141127.2 Ų127.287%0.86577%0.768SS**  trans-142.5156.6-166.447.30000111.7
271A29Very low33.8Very low108 Ų108130.5 Ų130.589%0.89377%0.771SS**  trans-175.8171.4159.400000113.6
272A28.5Very low33.4Very low90 Ų90130.6 Ų130.674%0.74477%0.774SS**  trans-149.8-178.4-178.400000110.9
273P39.5Very low33.4Very low125 Ų125126 Ų12681%0.81277%0.767SS**  cis-119.2-128.2-44.230-8000113.6
274P42Very low33.2Very low110 Ų110131.4 Ų131.471%0.71478%0.78SS**  -114.8173.1-128.841.9-24.3000116.7
275P41.5Very low32.8Very low119 Ų119131.7 Ų131.777%0.77379%0.786SS**  -158.9148.796.340.7-20.1000120.6
276T31.9Very low32.5Very low125 Ų125131 Ų13177%0.76779%0.792SS**  trans41.6124147.152.50000127.7
277S32Very low32.5Very low106 Ų106128.1 Ų128.174%0.74179%0.789SS**  trans79.2145.8131.177.90000120.7
278L31.4Very low32.5Very low150 Ų150127 Ų12779%0.78579%0.794SS**  cis-150.6153.625.4-80.2169.6000114.9
279T31Very low31.7Very low130 Ų130125.1 Ų125.180%0.79879%0.794SS**  trans56.3145.9152.852.40000120.9
280S30.6Very low31.1Very low94 Ų94124.6 Ų124.666%0.65779%0.794SS**  cis-169.9151.1-746.50000107.1
281F31.8Very low31.7Very low184 Ų184123.1 Ų123.181%0.80779%0.787SS**  -161.7152.950.7-105.7-87000111.6
282S31.9Very low31.5Very low110 Ų110124.9 Ų124.977%0.76978%0.78SS**  trans48.6148.9152.8-55.50000122.7
283A31.3Very low31.6Very low89 Ų89131.2 Ų131.274%0.73679%0.786SS**  cis-179.3146.8-2900000108.2
284Q29.3Very low30.9Very low189 Ų189129.3 Ų129.388%0.88378%0.781SS**  cis-162.8146.9-29-160.6166.33.300108.1
285M24.4Very low30.1Very low181 Ų181131.3 Ų131.389%0.89279%0.791SS**  trans-106.1163.5174-97.3-173.1167.100112.5
286T26.1Very low29.4Very low138 Ų138128.9 Ų128.985%0.84779%0.787SS**  trans-54.6157.41635.10000111.7
287A30Very low29.1Very low85 Ų85125.5 Ų125.570%0.70277%0.772SS**  cis-154.5-167.15.500000110.5
288V26Very low28.7Very low154 Ų154123.9 Ų123.993%0.93376%0.761SS**  trans141.2132.8148.6165.30000111.6
289G29.1Very low28.5Very low72 Ų72120.7 Ų120.774%0.74275%0.751SS**  trans149.3108.116800000114.8
290S27Very low28.3Very low117 Ų117117 Ų11782%0.81873%0.734SS**  trans-112.3-176.9-179.3-44.40000110.6
291P40.5Very low28.1Very low110 Ų110118.8 Ų118.871%0.71473%0.731SS**  -130.8-162.7-52.629.1-7.8000112.3
292I26.2Very low28Very low145 Ų145115.1 Ų115.174%0.74473%0.729SS**  trans80.8151.5161.4-30.2-174.2000117.4
293Y30.3Very low27.8Very low222 Ų222115.1 Ų115.187%0.87174%0.735SS**  trans7793.5173.5-80.8-72.5000119.2
294A25.4Very low28.3Very low85 Ų85113.1 Ų113.170%0.70272%0.723SS**  trans-78.4-178.516800000113.5
295V25.3Very low28.3Very low152 Ų152109.8 Ų109.892%0.92172%0.715SS**  trans75.9126.1172.9-165.40000114.4
296G26Very low28.7Very low68 Ų68102.7 Ų102.770%0.70169%0.689SS**  cis153.8176.6-3.200000113.1
297A24.7Very low29.3Very low54 Ų54100.1 Ų100.145%0.44668%0.682SS.*  trans72.183.916000000121.2S308 P309A297-S308 WeakPolarHBondContact O-CA 3.44Å; A297-S308 VanDerWaalsContact O-CB 3.26Å; A297-S308 WeakPolarHBondContact O-CB 3.12Å; A297-S308 PolarHBondContact O-OG 3.16Å; A297-P309 HydrophobicContact CB-CB 3.93Å
298S24.8Very low29.2Very low72 Ų7298.6 Ų98.650%0.50367%0.666SS.*  trans64.6147.813031.30000123S308S298-S308 WeakPolarHBondContact CB-O 3.22Å; S298-S308 VanDerWaalsContact O-CA 3.23Å; S298-S308 WeakPolarHBondContact O-CA 3.26Å; S298-S308 PolarHBondContact O-N 2.88Å; S298-S308 PolarHBondContact O-OG 2.96Å; S298-S308 VanDerWaalsContact OG-C 3.27Å; S298-S308 PolarHBondContact OG-O 2.94Å
299S26.6Very low29.6Very low84 Ų8496.3 Ų96.359%0.58765%0.654SS**  trans55.8149.9142.8-58.80000120.5G306 A307 S308S299-G306 CarbonylContact C-O 3.35Å; S299-G306 VanDerWaalsContact CB-O 3.24Å; S299-G306 WeakPolarHBondContact CB-O 3.39Å; S299-A307 VanDerWaalsContact O-CA 3.32Å; S299-A307 WeakPolarHBondContact O-CA 3.05Å; S299-S308 PolarHBondContact O-N 2.77Å
300A27Very low29.4Very low52 Ų5297.3 Ų97.343%0.4366%0.656SS.*  cis-173.6170.3-17.500000108.6G306A300-G306 VanDerWaalsContact CB-O 3.31Å; A300-G306 WeakPolarHBondContact CB-O 3.46Å; A300-G306 PolarHBondContact N-O 3.24Å; A300-G306 PolarHBondContact O-N 3.43Å; A300-G306 VanDerWaalsContact O-N 3.15Å
301H26.8Very low30Very low131 Ų13197.4 Ų97.461%0.60665%0.653SS**  trans54.1126.4166.3-52.9-83.4000119.2V305H301-V305 VanDerWaalsContact CB-N 3.33Å; H301-V305 PolarHBondContact CD2-O 3.06Å; H301-V305 PolarHBondContact O-N 2.83Å; H301-V305 VanDerWaalsContact O-N 3.09Å
302S29Very low29.8Very low108 Ų10897.1 Ų97.176%0.75565%0.651SS**THydrogen-bonded Turn-153.5142.8111.6-79.60000111.6V305S302-V305 PolarHBondContact OG-N 3.29Å
303A28.3Very low29.9Very low110 Ų11097.2 Ų97.291%0.90966%0.659SS**THydrogen-bonded Turncis-73.1125.2-2.300000112.3
304G41.1Very low30Very low47 Ų4789.7 Ų89.749%0.48565%0.649SS.*THydrogen-bonded Turncis-149.9125.9-6.500000112
305V30.6Very low30.2Very low118 Ų11892.4 Ų92.472%0.71566%0.657SS**  trans61.6133.3163.2-1680000119H301 S302H301-V305 VanDerWaalsContact CB-N 3.33Å; H301-V305 PolarHBondContact CD2-O 3.06Å; H301-V305 PolarHBondContact O-N 2.83Å; H301-V305 VanDerWaalsContact O-N 3.09Å; S302-V305 PolarHBondContact OG-N 3.29Å
306G33Very low30.4Very low32 Ų3290.4 Ų90.433%0.3364%0.644SS.*  trans159.498.8151.100000118.6S299 A300S299-G306 CarbonylContact C-O 3.35Å; S299-G306 VanDerWaalsContact CB-O 3.24Å; S299-G306 WeakPolarHBondContact CB-O 3.39Å; A300-G306 VanDerWaalsContact CB-O 3.31Å; A300-G306 WeakPolarHBondContact CB-O 3.46Å; A300-G306 PolarHBondContact N-O 3.24Å; A300-G306 PolarHBondContact O-N 3.43Å; A300-G306 VanDerWaalsContact O-N 3.15Å
307A37Very low30.7Very low85 Ų8591.1 Ų91.170%0.70264%0.643SS**  trans-71.3153.2-174.800000118.2S299S299-A307 VanDerWaalsContact O-CA 3.32Å; S299-A307 WeakPolarHBondContact O-CA 3.05Å
308S29.7Very low31.4Very low52 Ų5292.7 Ų92.736%0.36465%0.649SS.*  trans48.7-128.8138.5-54.50000121.8A297 S298 S299A297-S308 WeakPolarHBondContact O-CA 3.44Å; A297-S308 VanDerWaalsContact O-CB 3.26Å; A297-S308 WeakPolarHBondContact O-CB 3.12Å; A297-S308 PolarHBondContact O-OG 3.16Å; S298-S308 WeakPolarHBondContact CB-O 3.22Å; S298-S308 VanDerWaalsContact O-CA 3.23Å; S298-S308 WeakPolarHBondContact O-CA 3.26Å; S298-S308 PolarHBondContact O-N 2.88Å; S298-S308 PolarHBondContact O-OG 2.96Å; S298-S308 VanDerWaalsContact OG-C 3.27Å; S298-S308 PolarHBondContact OG-O 2.94Å; S299-S308 PolarHBondContact O-N 2.77Å
309P33.5Very low32.3Very low106 Ų10692.7 Ų92.769%0.68865%0.647SS**  -123.1-146.4-114.738.8-20.2000115.4A297A297-P309 HydrophobicContact CB-CB 3.93Å
310A25.7Very low32.8Very low94 Ų9492.9 Ų92.978%0.77765%0.654SS**  trans-100.6-109-159.900000119.4
311P39.2Very low32.9Very low118 Ų11897.9 Ų97.977%0.76667%0.668SS**  trans-116-164.8-139.142.8-26.2000113.6
312P36.2Very low33.1Very low104 Ų10498.8 Ų98.868%0.67568%0.677SS**  cis-143.9177.74.141.8-20.8000119.3
313T29Very low33.3Very low148 Ų14898.1 Ų98.191%0.90868%0.678SS**  trans65.5139148.544.40000124.3
314G30.8Very low33.4Very low63 Ų6396 Ų9665%0.64967%0.667SS**  trans179.6153.2164.800000113.5
315V29.5Very low32.8Very low143 Ų143102.7 Ų102.787%0.86769%0.69SS**  trans-149.4170.4-172-175.50000111.8
316V30.4Very low32.9Very low110 Ų110100.6 Ų100.667%0.66769%0.692SS**  trans104.6141.5160.8-179.60000116.5
317A32.5Very low32.9Very low82 Ų82103.8 Ų103.868%0.67872%0.715SS**  cis-167-137.1-28.600000112.3
318P39.6Very low32.9Very low87 Ų87105.3 Ų105.357%0.56572%0.718SS**  trans-129.8-130.6-136.842-16000112.9
319P43Very low33.3Very low72 Ų72108.3 Ų108.347%0.46874%0.736SS.*  cis-135.9-176.9-34.640-22.3000116
320A36.1Very low33Very low89 Ų89107.4 Ų107.474%0.73674%0.737SS**  trans-162.8121.1146.700000109.8
321H29.5Very low32.9Very low156 Ų156110.8 Ų110.872%0.72274%0.737SS**  69.8141.279.6-81.5-82.1000115.2
322L31.5Very low32.3Very low150 Ų150111 Ų11179%0.78573%0.73SS**  cis-160.1151.524.4-142.7155.5000113.8
323A34.1Very low31.8Very low94 Ų94109.6 Ų109.678%0.77773%0.728SS**  trans66.6150.4163.400000120.3
324G28.6Very low31.8Very low66 Ų66106.1 Ų106.168%0.6872%0.721SS**  cis138.8142.7-18.500000117
325I30.3Very low31.9Very low188 Ų188110.3 Ų110.396%0.96473%0.734SS**  trans84.6134.9170.1-50.8161.9000116.4
326G31.1Very low31.7Very low74 Ų74106.6 Ų106.676%0.76373%0.725SS**  trans150.4121.2156.200000117.1
327A33Very low31.4Very low98 Ų98105.6 Ų105.681%0.8173%0.728SS**  trans-74.2163.3-175.800000116.8
328P38.5Very low31.8Very low117 Ų117107.6 Ų107.676%0.7674%0.737SS**  trans-89.8-170.5160.243-38.2000110.3
329P38.1Very low31.2Very low116 Ų116109.2 Ų109.275%0.75375%0.748SS**  cis-132.7-166.6-3.343.2-26.1000114.5
330A26.4Very low30.8Very low86 Ų86109.1 Ų109.171%0.71175%0.753SS**  trans82.2140.4148.400000121.7
331H24.8Very low30.5Very low166 Ų166111.4 Ų111.477%0.76976%0.76SS**  trans36.6118.7147.1-82.2-104.1000121.9
332L25.4Very low30.5Very low121 Ų121109.2 Ų109.263%0.63476%0.762SS**  53.9137.7107-115169000119.9
333A26.4Very low30.2Very low75 Ų75106.2 Ų106.262%0.6276%0.759SS**  trans6572.4166.700000115.8
334G27.6Very low29.8Very low75 Ų75109.2 Ų109.277%0.77376%0.762SS**  trans-127.942175.400000114G336G334-G336 PolarHBondContact O-N 3.47Å
335V34.4Very low30Very low152 Ų152113 Ų11392%0.92177%0.771SS**  trans-69.2102.9171.7176.50000108.9
336G24.1Very low30.1Very low65 Ų65107.2 Ų107.267%0.6776%0.758SS**  trans168139.8171.800000113.4G334G334-G336 PolarHBondContact O-N 3.47Å
337A25.4Very low30.3Very low89 Ų89108.5 Ų108.574%0.73676%0.761SS**  cis-159.2155.5-13.200000109.1P339A337-P339 VanDerWaalsContact O-CD 3.22Å; A337-P339 WeakPolarHBondContact O-CD 3.23Å
338S41Very low30.6Very low124 Ų124109.1 Ų109.187%0.86776%0.76SS**  trans-64.9135.7163.8-48.90000110.3
339P26.7Very low31.1Very low121 Ų121109 Ų10979%0.78676%0.759SS**  trans-124.6122.2136.833.9-26.2000110.1A337A337-P339 VanDerWaalsContact O-CD 3.22Å; A337-P339 WeakPolarHBondContact O-CD 3.23Å
340A34.3Very low30.7Very low69 Ų69107.6 Ų107.657%0.5776%0.757SS**  trans-68161.4-175.700000113.3S342A340-S342 PolarHBondContact O-N 3.05Å
341P30.4Very low31.2Very low138 Ų138109.3 Ų109.390%0.89676%0.761SS**  trans-65.776.3151.531.7-34.6000109.9A343P341-A343 PolarHBondContact O-N 2.76Å
342S28.8Very low31.7Very low109 Ų109108 Ų10876%0.76276%0.758SS**  trans-78.799.9175.7-69.60000111.4A340A340-S342 PolarHBondContact O-N 3.05Å
343A24.9Very low32Very low88 Ų88110 Ų11073%0.72777%0.768SS**  trans-169.713715200000114.7P341P341-A343 PolarHBondContact O-N 2.76Å
344L26.7Very low32.3Very low157 Ų157109.4 Ų109.482%0.82277%0.769SS**  trans62.2121.5144.9-96.567.4000122.2
345V31.3Very low32.3Very low146 Ų146113.1 Ų113.189%0.88578%0.776SS**  trans67.3121.3148.3-168.10000118
346G32.3Very low32Very low66 Ų66109.5 Ų109.568%0.6877%0.77SS**  cis164.8156.1-8.300000115.1
347A36.6Very low32.2Very low101 Ų101111 Ų11184%0.83578%0.776SS**  trans68.6147.2174.100000117.4
348S39.1Very low33Very low111 Ų111112.5 Ų112.578%0.77678%0.778SS**  cis178.7170.1-16.9-92.20000108.2
349P49.1Very low33.1Very low114 Ų114112.1 Ų112.174%0.7477%0.773SS**  cis-115.4160.6-42.138.9-25.3000110.5
350A30.2Very low33.1Very low87 Ų87113.2 Ų113.272%0.71978%0.777SS**  56.5150.660.100000116
351P35.9Very low32.7Very low122 Ų122113.7 Ų113.779%0.79279%0.788SS**  cis-101.3-140.2-9.9149.3000112.9
352I34.9Very low32.7Very low138 Ų138111.7 Ų111.771%0.70878%0.784SS**  cis-156.2144.815.5-60.8172000111.1
353I31.9Very low32.8Very low163 Ų163112.1 Ų112.184%0.83678%0.784SS**  trans25.8138154.1-53.7163.7000120.6
354G32Very low33.3Very low63 Ų63113.2 Ų113.265%0.64978%0.784SS**  cis118.5152.24.800000114.4
355V27.8Very low33.3Very low152 Ų152112.6 Ų112.692%0.92179%0.786SS**  cis-164.5143.8-5.5-171.90000111.1
356G28.9Very low33Very low77 Ų77109 Ų10979%0.79478%0.779SS**  trans91.2176.5160.600000118.2
357A27.8Very low32.7Very low97 Ų97110.5 Ų110.580%0.80279%0.785SS**  cis-175.1163.4-19.400000111.1
358P42.9Very low32.8Very low120 Ų120111.4 Ų111.478%0.77978%0.782SS**  trans-92.7179.6161.939.4-35.3000111.4
359P43.1Very low32.6Very low115 Ų115111.9 Ų111.975%0.74778%0.783SS**  cis-128.4-159.3-4.440.6-21.8000113.1
360V26.4Very low31.5Very low144 Ų144110.4 Ų110.487%0.87378%0.78SS**  trans61.9108.2163.9178.60000116.8
361G26.7Very low31.2Very low79 Ų79113.9 Ų113.981%0.81479%0.787SS**  trans-162.1147.2170.900000113.4
362A28.9Very low30.8Very low97 Ų97112 Ų11280%0.80278%0.782SS**  trans-88.4160.6169.200000110.5
363P30.7Very low30.4Very low118 Ų118111.9 Ų111.977%0.76679%0.787SS**  trans-89.5-164.9-176.843.1-40.8000110.3
364P36.9Very low30.5Very low111 Ų111109.8 Ų109.872%0.72178%0.782SS**  cis-132-155.9-823.53.4000112.2
365V26.1Very low30.6Very low143 Ų143114.2 Ų114.287%0.86779%0.789SS**  trans86.3135.6154.9-174.50000117.1
366G26Very low30.8Very low72 Ų72111.2 Ų111.274%0.74278%0.781SS**  trans131.284140.600000117.4
367A25.7Very low30.9Very low96 Ų96113.2 Ų113.279%0.79378%0.779SS**  trans-92.1174.5138.700000108.3
368P38.3Very low31.3Very low120 Ų120114.2 Ų114.278%0.77978%0.778SS**  -106.3-151-63.940.7-28.7000107.6
369P34.3Very low30.8Very low122 Ų122112.8 Ų112.879%0.79278%0.776SS**  cis-130.8-147-843.5-23.5000112.9
370A27.1Very low30.3Very low83 Ų83111.9 Ų111.969%0.68678%0.778SS**  trans-63.6176.6177.200000113.5
371D22.4Very low30.7Very low160 Ų160112.5 Ų112.586%0.85678%0.776SS**  -161.9174.367.7-136.9-34.5000115.7
372A28.2Very low31.1Very low83 Ų83114 Ų11469%0.68677%0.772SS**  trans-89.6168.8-168.500000116.3
373T27.5Very low31.3Very low135 Ų135113.5 Ų113.583%0.82876%0.76SS**  trans-167.4149162.1-1.80000108.9
374T32.8Very low31.1Very low118 Ų118110.8 Ų110.872%0.72474%0.744SS**  cis-146.2151.78.2-38.90000107.1
375I33.5Very low30.7Very low156 Ų156109.5 Ų109.580%0.873%0.73SS**  -171.813181.8-79.1169.1000111
376A32.1Very low30.7Very low90 Ų90108 Ų10874%0.74472%0.72SS**  trans72.4158.7153.600000121.6
377P32.5Very low31Very low118 Ų118109.8 Ų109.877%0.76672%0.719SS**  trans-124.4-158.1-15748.4-33000111.9
378P35.7Very low31Very low118 Ų118109.9 Ų109.977%0.76671%0.714SS**  cis-138.2161.7-2.840.9-23.4000117.8
379A31.3Very low30.6Very low91 Ų91108.1 Ų108.175%0.75271%0.705SS**  162.1114.4106.200000115.4
380A33.6Very low30.3Very low95 Ų95104.7 Ų104.779%0.78569%0.691SS**  trans62.5151154.600000120.7
381L34.4Very low30.4Very low158 Ų158104.9 Ų104.983%0.82769%0.688SS**  cis-162.6136.2-19.7-106.8173.5000109.5
382P34.7Very low30.7Very low111 Ų111102.2 Ų102.272%0.72167%0.674SS**  trans-94.3-165.817141-36.8000111.3
383P33.2Very low31.1Very low85 Ų85102.1 Ų102.155%0.55267%0.666SS**  cis-147.1-178.41046-25.6000119.4
384S26Very low31Very low61 Ų61100 Ų10043%0.42765%0.645SS.*  trans27.3150.6144.2-47.30000123.3T2314 N2315S384-T2314 PolarHBondContact O-N 2.76Å; S384-N2315 WeakPolarHBondContact CB-OD1 3.48Å; S384-N2315 PolarHBondContact OG-OD1 2.91Å
385I29.9Very low30.8Very low85 Ų85101.7 Ų101.744%0.43664%0.643SS.*  cis-162.4159.431.2-152.6-144.7000117.2S2313 T2314 N2315I385-S2313 VanDerWaalsContact CG2-C 3.49Å; I385-S2313 VanDerWaalsContact CG2-O 3.24Å; I385-S2313 WeakPolarHBondContact CG2-O 3.26Å; I385-T2314 VanDerWaalsContact CB-C 3.46Å; I385-N2315 VanDerWaalsContact CG1-N 3.34Å
386V26.2Very low30.6Very low110 Ų110105.1 Ų105.167%0.66765%0.645SS**  trans-37.4162.9154.9-178.30000116.9
387P32.5Very low30.4Very low110 Ų110105.3 Ų105.371%0.71464%0.641SS**  cis-126.3167-16.331.5-14.7000115.7
388S25.6Very low30.1Very low99 Ų99105.9 Ų105.969%0.69264%0.643SS**  trans-168.6127.3140.6-90.40000115.8
389S29.8Very low29.7Very low83 Ų83103.3 Ų103.358%0.5864%0.638SS**  trans67.8111.5141.6-37.30000122.7T2304 R2305S389-T2304 CarbonylContact C-O 3.33Å; S389-T2304 VanDerWaalsContact C-O 3.24Å; S389-T2304 WeakPolarHBondContact CB-O 3.4Å; S389-T2304 CarbonylContact O-C 3.36Å; S389-R2305 PolarHBondContact O-N 3.05Å
390G28.1Very low29.7Very low49 Ų49106.9 Ų106.951%0.50564%0.643SS.*  131101.8128.300000118.6T2304G390-T2304 WeakPolarHBondContact CA-O 3.3Å
391S28Very low29.4Very low88 Ų88107.9 Ų107.962%0.61564%0.635SS**  trans-156.4150.3173.958.10000111.2
392N28.2Very low29.2Very low104 Ų104110.2 Ų110.256%0.55664%0.639SS**  trans66.3178.7171.5-64.272.6000114D2301N392-D2301 CarbonylContact C-O 3.3Å; N392-D2301 WeakPolarHBondContact CA-O 3.49Å; N392-D2301 PolarHBondContact N-O 3.32Å; N392-D2301 VanDerWaalsContact N-O 3.13Å
393P37.3Very low29Very low80 Ų80115.4 Ų115.452%0.51964%0.644SS.*  -130.2149.8-60.733.1-18.7000118.9I2300P393-I2300 VanDerWaalsContact CA-C 3.44Å; P393-I2300 WeakPolarHBondContact CA-O 3.18Å; P393-I2300 HydrophobicContact CB-CB 4.47Å; P393-I2300 HydrophobicContact CB-CG2 3.31Å; P393-I2300 WeakPolarHBondContact CB-O 3.48Å
394F26.2Very low28.8Very low91 Ų91116 Ų11640%0.39965%0.646SS.*  trans-44.1141.5178.3-108.5-118.3000111.4D2299 I2300 D2301F394-D2299 WeakPolarHBondContact CD2-O 3.44Å; F394-I2300 HydrophobicContact CB-CB 3.82Å; F394-I2300 HydrophobicContact CB-CD1 3.64Å; F394-I2300 HydrophobicContact CB-CG1 3.58Å; F394-I2300 HydrophobicContact CB-CG2 4.04Å; F394-I2300 HydrophobicContact CG-CG1 4.24Å; F394-D2301 WeakPolarHBondContact CA-OD2 3.16Å; F394-D2301 WeakPolarHBondContact CD2-OD1 3.14Å; F394-D2301 WeakPolarHBondContact CG-OD1 3.43Å; F394-D2301 PolarHBondContact N-OD2 2.75Å
395K28.5Very low29.2Very low154 Ų154119.3 Ų119.367%0.6766%0.659SS**  trans37.588.5146.4-62.4-174.3-166.1171.70113.9
396R28.2Very low29.2Very low228 Ų228121.2 Ų121.286%0.8667%0.669SS**  -171.2155.263-86.3155.9-164.9-94.36.5109.2
397S28.9Very low29.5Very low93 Ų93124.5 Ų124.565%0.6568%0.679SS**  cis-168.4170.5-1.5400000110.2
398T26.1Very low29.5Very low131 Ų131122.7 Ų122.780%0.80467%0.673SS**  trans21.4119.7148.857.50000118
399G27Very low29.6Very low64 Ų64125.3 Ų125.366%0.6668%0.679SS**  cis110.1135.924.400000111
400L30.6Very low30.2Very low165 Ų165127.1 Ų127.186%0.86469%0.689SS**  trans-158.8150.4177.5-90.5112.5000109.4
401N28Very low30.3Very low116 Ų116128.8 Ų128.862%0.6270%0.698SS**  cis-167.3123.8-29.5-126.1-27.2000109.2
402K29.3Very low30.5Very low208 Ų208129.9 Ų129.990%0.90471%0.712SS**SBendtrans-144.9116.9153.8-75.2-175.4-176.8175.50107
403R30.8Very low30.6Very low220 Ų220128.3 Ų128.383%0.8372%0.721SS**  cis-144.1137.5-11.6-100.9-175.6175.1175.1-4.2105.7
404V30.3Very low30.2Very low97 Ų97128.7 Ų128.759%0.58873%0.731SS**  49.6110.196.5-175.90000110.4
405N33.5Very low31Very low130 Ų130128.9 Ų128.970%0.69574%0.741SS**  cis-141.1155.537.5-108.2-2.9000110.5
406I30.6Very low31.2Very low126 Ų126125.1 Ų125.165%0.64674%0.735SS**  cis72.7123.337.6-55.9169.6000110.6
407M32.8Very low32.1Very low179 Ų179119.9 Ų119.988%0.88273%0.73SS**  cis-148.2-178.341.7-104121.516700110.1
408A31.6Very low32.4Very low72 Ų72121.4 Ų121.460%0.59574%0.737SS**  cis175.5131-34.800000110.5
409D27.7Very low32.9Very low153 Ų153119.4 Ų119.482%0.81873%0.734SS**  trans46.5164.2132.7-73.6-51.9000124.8
410P42.9Very low33.1Very low121 Ų121122.5 Ų122.579%0.78674%0.743SS**  cis-129.5-144.3-22.833.1-9.6000110.6
411A30.3Very low32.9Very low84 Ų84119.2 Ų119.269%0.69474%0.739SS**  cis-162.4157.3-2.600000112
412A31.5Very low32.8Very low111 Ų111118 Ų11892%0.91775%0.745SS**  trans54.1150.4151.900000122.2
413G30.2Very low32.6Very low72 Ų72111.6 Ų111.674%0.74273%0.731SS**  cis167.1155.8-9.600000115.3
414A29.5Very low32.4Very low88 Ų88107 Ų10773%0.72772%0.722SS**  trans76.9153.5166.800000121.3T560A414-T560 HydrophobicContact CB-CG2 4.15Å
415P43.1Very low32.5Very low95 Ų95105.7 Ų105.762%0.61772%0.721SS**  trans-121.1163.3-159.842.9-33.3000118T560P415-T560 WeakPolarHBondContact O-CA 3.36Å; P415-T560 VanDerWaalsContact O-CG2 3.31Å; P415-T560 WeakPolarHBondContact O-CG2 3.04Å
416S32.1Very low32.3Very low75 Ų75102.1 Ų102.152%0.52471%0.705SS.*  trans174.5157145.9-78.80000112.9T560 G561S416-T560 WeakPolarHBondContact OG-CA 3.38Å; S416-G561 PolarHBondContact OG-N 2.71Å; S416-G561 VanDerWaalsContact OG-N 3.11Å
417P47.4Very low32.2Very low118 Ų118100.3 Ų100.377%0.76670%0.7SS**  trans-81.9177.9-177.635.7-38.1000114
418P35.5Very low32.4Very low124 Ų12495 Ų9581%0.80568%0.684SS**  cis-132-166.619.243.7-25.3000116.8
419A35.2Very low32.5Very low89 Ų8995.1 Ų95.174%0.73668%0.679SS**  trans-70.5160.3-177.900000113.7
420P31.9Very low32.8Very low130 Ų13094.3 Ų94.384%0.84468%0.679SS**  -136.2-161.978.241.8-28.6000114.2
421A26.7Very low32.2Very low95 Ų9590.8 Ų90.879%0.78566%0.66SS**  trans-92-174.8-173.300000114.9
422A26.3Very low32.2Very low91 Ų9191.9 Ų91.975%0.75266%0.66SS**  trans70.8121.7-173.900000113.9
423A25.2Very low32.2Very low73 Ų7393.3 Ų93.360%0.60365%0.651SS**  cis67.8148.938.900000112.9Q118Q118-A423 PolarHBondContact OE1-O 2.9Å
424I25.5Very low32.2Very low124 Ų12493.2 Ų93.264%0.63664%0.637SS**  cis-101.1-159.4-0.2-66.478.4000108.6Q118Q118-I424 VanDerWaalsContact CD-N 3.26Å; Q118-I424 HydrophobicContact CG-CB 3.92Å; Q118-I424 HydrophobicContact CG-CG2 4.46Å; Q118-I424 PolarHBondContact NE2-O 2.98Å
425A31.9Very low33Very low69 Ų6994.5 Ų94.557%0.5764%0.638SS**  trans-86-99.5-178.200000112.2Q117 Q118Q117-A425 PolarHBondContact NE2-O 2.97Å; Q118-A425 PolarHBondContact NE2-O 3.43Å
426P30.6Very low32.5Very low56 Ų5695.4 Ų95.436%0.36464%0.644SS.*  -82-178.8-54.8-2136.3000116.4Q117Q117-P426 PolarHBondContact NE2-O 2.79Å
427V27.8Very low32.2Very low88 Ų8895.6 Ų95.653%0.53365%0.65SS.*  123.1161.3115.5115.40000125.1I116 Q117I116-V427 HydrophobicContact CB-CB 4.35Å; I116-V427 HydrophobicContact CB-CG1 4.27Å; I116-V427 HydrophobicContact CB-CG2 3.53Å; I116-V427 HydrophobicContact CD1-CB 4.22Å; I116-V427 HydrophobicContact CD1-CG1 4.02Å; I116-V427 HydrophobicContact CD1-CG2 3.49Å; I116-V427 VanDerWaalsContact CD1-CG2 3.49Å; I116-V427 HydrophobicContact CG1-CB 4.24Å; I116-V427 HydrophobicContact CG1-CG1 4.37Å; I116-V427 HydrophobicContact CG1-CG2 3.15Å; I116-V427 HydrophobicContact CG2-CB 3.7Å; I116-V427 HydrophobicContact CG2-CG1 3.23Å; I116-V427 HydrophobicContact CG2-CG2 3.44Å; I116-V427 VanDerWaalsContact CG2-CG2 3.44Å; Q117-V427 HydrophobicContact CG-CB 4.05Å; Q117-V427 HydrophobicContact CG-CG1 3.79Å
428A37.8Very low31.3Very low66 Ų6695.9 Ų95.955%0.54565%0.645SS.*  trans-102.1-171.5-17500000112.1I116I116-A428 HydrophobicContact CD1-CB 4.16Å
429P34Very low30.9Very low75 Ų7597.2 Ų97.249%0.48764%0.641SS.*  cis-130.5-146.510.742.5-21.9000113.3
430V34Very low30.5Very low136 Ų13699.6 Ų99.682%0.82464%0.64SS**  trans84.4107.7179-171.70000115
431A29.8Very low30.6Very low47 Ų47102.6 Ų102.639%0.38864%0.64SS.*  trans-93.7176.4157.100000109.5Q85Q85-A431 WeakPolarHBondContact O-CB 2.92Å
432P29.6Very low30.8Very low107 Ų107101.6 Ų101.670%0.69564%0.639SS**  -152.6-174.589.240.2-21.8000115.6
433I32.2Very low30.8Very low142 Ų142101.7 Ų101.773%0.72863%0.625SS**  trans93.8138.8160.4-63.8166.7000115.6
434P30.4Very low31.1Very low70 Ų70102.4 Ų102.446%0.45562%0.624SS.*  trans-117.8-170.7-155.745.9-30.3000112.2
435P45.6Very low31.2Very low114 Ų11499 Ų9974%0.7462%0.615SS**  trans-81.7-178.1179.138.7-35.7000110.6
436P32.8Very low31.1Very low115 Ų115103.1 Ų103.175%0.74762%0.622SS**  -153.7-176.492.941.2-23.1000114.7
437A26.3Very low31.1Very low78 Ų78105.1 Ų105.165%0.64564%0.643SS**  trans61138.3137.400000120.8
438D28.9Very low31.2Very low125 Ų125108 Ų10867%0.66865%0.651SS**  cis-155.3164-9-121.1-32.5000114.1
439Q26.3Very low30.7Very low152 Ų152108 Ų10871%0.7166%0.657SS**  trans-23.1140.8145.7-54.2158.578.500113.8
440L27.9Very low30.2Very low138 Ų138114.2 Ų114.272%0.72368%0.68SS**  176153.6105.4-93.7166.5000112.7
441F32.5Very low29.9Very low194 Ų194110.4 Ų110.485%0.85167%0.667SS**  trans48.9122.6164.5-66-64000119.8
442G32Very low29.8Very low74 Ų74117.4 Ų117.476%0.76369%0.69SS**  136.974.5119.400000117.9
443M26.1Very low29.6Very low92 Ų92117 Ų11745%0.45368%0.681SS.*  trans-33.5160.3132.9-66.1-75.299.300114.1Q68 Q69Q68-M443 HydrophobicContact CB-SD 4.19Å; Q68-M443 HydrophobicContact CG-SD 4.07Å; Q68-M443 PolarHBondContact OE1-SD 3.2Å; Q69-M443 HydrophobicContact CB-CE 3.98Å; Q69-M443 HydrophobicContact CB-SD 3.75Å; Q69-M443 VanDerWaalsContact CD-SD 3.59Å; Q69-M443 HydrophobicContact CG-SD 4.23Å; Q69-M443 PolarHBondContact OE1-SD 2.82Å; Q69-M443 VanDerWaalsContact OE1-SD 3.38Å
444P30.9Very low29.7Very low89 Ų89118 Ų11858%0.57869%0.687SS**  cis-136-167.48.628.8-4000114.9
445A27Very low29.5Very low53 Ų53120.6 Ų120.644%0.43870%0.696SS.*  trans-23.7163.3136.300000115.5
446E30Very low28.9Very low154 Ų154120.1 Ų120.172%0.7270%0.702SS**  cis-145.8162.247.7-68.2-177.5104.400116H448E446-H448 VanDerWaalsContact CD-CD2 3.49Å; E446-H448 IonicContact OE1-CD2 3.12Å; E446-H448 IonicContact OE1-CE1 2.75Å; E446-H448 IonicContact OE1-NE2 3.89Å; E446-H448 PolarHBondContact OE1-NE2 3.43Å; E446-H448 IonicContact OE2-CD2 2.77Å; E446-H448 PolarHBondContact OE2-CD2 2.87Å; E446-H448 IonicContact OE2-NE2 2.74Å; E446-H448 PolarHBondContact OE2-NE2 3.45Å
447A30.4Very low28.8Very low99 Ų99119.2 Ų119.282%0.81870%0.704SS**  trans-93.2107.7154.700000109.1
448H30.1Very low29.4Very low149 Ų149121.1 Ų121.169%0.6971%0.71SS**  trans-128.8143.3154-69.3-69.7000106.9E446E446-H448 VanDerWaalsContact CD-CD2 3.49Å; E446-H448 IonicContact OE1-CD2 3.12Å; E446-H448 IonicContact OE1-CE1 2.75Å; E446-H448 IonicContact OE1-NE2 3.89Å; E446-H448 PolarHBondContact OE1-NE2 3.43Å; E446-H448 IonicContact OE2-CD2 2.77Å; E446-H448 PolarHBondContact OE2-CD2 2.87Å; E446-H448 IonicContact OE2-NE2 2.74Å; E446-H448 PolarHBondContact OE2-NE2 3.45Å
449G26.9Very low30.1Very low66 Ų66120.4 Ų120.468%0.6871%0.712SS**  cis131.61431400000108.3
450E24.8Very low30.3Very low205 Ų205119.4 Ų119.496%0.95872%0.716SS**  trans-21.1137.1170.9-56.6171-179.600114.8
451G26.4Very low30.2Very low55 Ų55121.7 Ų121.757%0.56772%0.723SS**  cis131.7145.127.400000108N453G451-N453 PolarHBondContact O-ND2 2.92Å
452F27.8Very low30.1Very low195 Ų195117.4 Ų117.486%0.85572%0.723SS**  trans-126.8114.1172.1-95.8-107.4000108.7
453N26Very low29.9Very low98 Ų98119.4 Ų119.452%0.52473%0.726SS.*  83.8131.361.9-84.4-54.8000112.6G451 I455G451-N453 PolarHBondContact O-ND2 2.92Å; N453-I455 HydrophobicContact CB-CD1 3.84Å; N453-I455 HydrophobicContact CB-CG1 4.27Å
454L33.8Very low30.1Very low163 Ų163123.7 Ų123.785%0.85375%0.75SS**  177.487.6123.5-89.9153.4000106.8
455I27.1Very low30.2Very low125 Ų125122.2 Ų122.264%0.64175%0.751SS**  74113.474.4-63164.9000113.3N453N453-I455 HydrophobicContact CB-CD1 3.84Å; N453-I455 HydrophobicContact CB-CG1 4.27Å
456A33.6Very low30.2Very low104 Ų104126.3 Ų126.386%0.8677%0.77SS**  trans-164154.8147.900000109.5
457A29.3Very low30.3Very low96 Ų96124 Ų12479%0.79377%0.769SS**  trans-123.2-149.3-160.100000114.5
458P39.6Very low30.2Very low118 Ų118126.8 Ų126.877%0.76677%0.769SS**  trans-117.5-146.1-134.932.8-5.9000110.9
459P42.6Very low30.1Very low109 Ų109125.1 Ų125.171%0.70877%0.774SS**  cis-148.6-165.90.846.6-25.7000118.1
460V31Very low30.3Very low132 Ų132126.4 Ų126.480%0.878%0.778SS**  trans89.5144.6151.81690000121.1
461E26Very low30.7Very low185 Ų185122.2 Ų122.286%0.86477%0.769SS**  trans-47.8150.9-171.3-52.6171.813600121
462A31Very low31Very low104 Ų104127.8 Ų127.886%0.8678%0.784SS**  trans-165.8149.8130.600000111.8
463S28.2Very low31.4Very low116 Ų116123.6 Ų123.681%0.81178%0.776SS**  trans-103.8146.9177.4-60.40000112.8
464L30.6Very low31.5Very low183 Ų183123.5 Ų123.596%0.95879%0.789SS**  trans-178.5139.1151.5-103.3158.8000112.9
465G31.4Very low31.5Very low58 Ų58121.2 Ų121.260%0.59878%0.784SS**  trans79.7132.8177.100000114.2
466T27.4Very low31.6Very low139 Ų139122.5 Ų122.585%0.85379%0.791SS**  cis61.6143.321.479.80000115.5
467P32.8Very low31.3Very low106 Ų106122.7 Ų122.769%0.68878%0.783SS**  cis-125.9149.57.320.83.7000118.3
468L28.5Very low31Very low157 Ų157123.2 Ų123.282%0.82278%0.776SS**  62.9133.3123.6-58.8170.6000124.9
469S27.2Very low30.7Very low113 Ų113120.2 Ų120.279%0.7976%0.757SS**  trans59.1147.8134.9-56.40000121.4
470A30.9Very low29.8Very low94 Ų94121 Ų12178%0.77775%0.754SS**  cis-141.2157.510.100000113
471P33.4Very low29.5Very low117 Ų117118.4 Ų118.476%0.7675%0.747SS**  trans-102.7168.9178.140.1-34.9000113.9
472I33.4Very low29.5Very low172 Ų172113.2 Ų113.288%0.88273%0.731SS**  trans-159.6148.7142.8-105.6154000109.3
473P36.1Very low29.3Very low107 Ų107115.7 Ų115.770%0.69573%0.729SS**  trans-130150.6-154.238.9-21.9000117.9
474A27.6Very low29.1Very low95 Ų95119.2 Ų119.279%0.78573%0.726SS**  trans61.8177.7149.900000117.9
475P34Very low29Very low115 Ų115113.7 Ų113.775%0.74771%0.707SS**  cis-121.6-147.3-22.630.8-9.6000111.1
476I29.4Very low28.8Very low153 Ų153113.2 Ų113.279%0.78569%0.694SS**  trans94.6128.3164.4-54.3173.8000115.3
477P27.7Very low28.9Very low107 Ų107108.7 Ų108.770%0.69567%0.667SS**  trans-101.2-157.8-175.740.8-34.9000112.9
478V23.3Very low28.8Very low107 Ų107106.6 Ų106.665%0.64866%0.659SS**  trans88.4146.8172.3-45.30000117.6
479P31.8Very low28.8Very low56 Ų56105.6 Ų105.636%0.36466%0.659SS.*  trans-108.8164.9-161.941.5-33.2000114K1909 Q1910P479-K1909 HydrophobicContact CG-CG 4.14Å; P479-Q1910 HydrophobicContact CG-CG 4.25Å
480N23.8Very low28.8Very low124 Ų124105.4 Ų105.466%0.66366%0.655SS**  trans177.4160.3153.3-96.4-8.8000108.4L1908N480-L1908 WeakPolarHBondContact ND2-CD2 3.21Å
481A25.5Very low28.7Very low78 Ų78107.9 Ų107.965%0.64565%0.651SS**  cis-158.6164.3-1800000108.9
482S24.8Very low28.5Very low76 Ų76107 Ų10753%0.53165%0.653SS.*  trans-68.2-176.5163.2-62.80000112.6E1911S482-E1911 VanDerWaalsContact CB-OE1 3.23Å; S482-E1911 WeakPolarHBondContact CB-OE1 3.39Å; S482-E1911 PolarHBondContact N-OE1 2.89Å; S482-E1911 PolarHBondContact OG-OE1 3.06Å
483L27Very low28.1Very low156 Ų156107.6 Ų107.682%0.81765%0.65SS**  trans86.993.3165.1-60.5166.5000118.5
484Y25.2Very low27.7Very low190 Ų190105.7 Ų105.775%0.74564%0.643SS**  -54.9159122.9-117.6-114000110.3
485A28.6Very low27.7Very low68 Ų68106.7 Ų106.756%0.56263%0.632SS**  trans64166.7171.700000115.2
486S27.1Very low27.4Very low47 Ų47106.5 Ų106.533%0.32962%0.623SS.*  cis-168.492.7-26-900000107.7N2110S486-N2110 WeakPolarHBondContact CA-O 3.45Å; S486-N2110 VanDerWaalsContact CB-O 3.27Å; S486-N2110 WeakPolarHBondContact CB-O 3.43Å; S486-N2110 PolarHBondContact O-ND2 3.04Å; S486-N2110 PolarHBondContact OG-N 3.24Å; S486-N2110 VanDerWaalsContact OG-N 3.08Å; S486-N2110 PolarHBondContact OG-O 3.21Å
487P28.4Very low27.2Very low44 Ų44104.2 Ų104.229%0.28661%0.61SS.*PPolyproline II helixtrans-96.5134.2-176.436.6-29.9000113.6N2110 H2112P487-N2110 VanDerWaalsContact C-CB 3.46Å; P487-N2110 WeakPolarHBondContact O-CB 3.33Å; P487-H2112 HydrophobicContact CG-CB 3.46Å; P487-H2112 VanDerWaalsContact CG-CB 3.46Å; P487-H2112 WeakPolarHBondContact CG-CD2 3.48Å; P487-H2112 VanDerWaalsContact CG-N 3.25Å; P487-H2112 WeakPolarHBondContact CG-ND1 3.41Å
488A31.3Very low27.4Very low62 Ų62103 Ų10351%0.51260%0.602SS.*PPolyproline II helixtrans-69.4163.8-175.400000114.2
489V28.4Very low27.6Very low137 Ų137103 Ų10383%0.8360%0.598SS**PPolyproline II helixtrans-61130.7157.6176.80000108.3
490P28.2Very low27.5Very low109 Ų109106.4 Ų106.471%0.70861%0.613SS**PPolyproline II helixtrans-84.6145.5179.933.2-34.2000112.1
491Q28Very low27.7Very low145 Ų145107.5 Ų107.568%0.67861%0.614SS**  trans-117.7133.9150-90.7-175.7-69.900109.9L2030Q491-L2030 HydrophobicContact CB-CD1 3.78Å; Q491-L2030 HydrophobicContact CG-CD1 4.39Å
492A29Very low27.9Very low98 Ų98111.5 Ų111.581%0.8162%0.62SS**  trans47.7101.9155.900000119.9
493F24.7Very low28.2Very low185 Ų185113.4 Ų113.481%0.81163%0.628SS**  trans-45.1155131.9-68.1-97.1000111
494A27.8Very low28.1Very low68 Ų68113.5 Ų113.556%0.56263%0.628SS**  cis-161.8163-11.500000105.6
495H28.7Very low28.2Very low116 Ų116110.4 Ų110.454%0.53764%0.635SS.*  cis-136.2151.346.4-98.9-117.9000111.8K2028H495-K2028 PolarHBondContact O-NZ 3.33Å
496L26.2Very low28.2Very low110 Ų110111.7 Ų111.758%0.57665%0.645SS**  68.7119.658.2-82.5167.3000110.4N1901L496-N1901 VanDerWaalsContact C-ND2 3.31Å; L496-N1901 WeakPolarHBondContact CA-OD1 3.42Å; L496-N1901 HydrophobicContact CB-CB 4.17Å; L496-N1901 VanDerWaalsContact CB-CG 3.46Å; L496-N1901 WeakPolarHBondContact CB-OD1 3.41Å; L496-N1901 VanDerWaalsContact CD2-OD1 3.26Å; L496-N1901 WeakPolarHBondContact CD2-OD1 3.5Å; L496-N1901 PolarHBondContact O-ND2 3.2Å
497E25.8Very low28.7Very low106 Ų106114.8 Ų114.850%0.49566%0.664SS.*  cis-130.2-161.922.2-141.5167.5172.500114.4N1900 N1901E497-N1900 WeakPolarHBondContact OE2-CA 3.36Å; E497-N1900 PolarHBondContact OE2-N 3.12Å; E497-N1901 WeakPolarHBondContact CA-OD1 3.46Å; E497-N1901 WeakPolarHBondContact CB-OD1 3.44Å; E497-N1901 WeakPolarHBondContact CG-OD1 3.31Å; E497-N1901 PolarHBondContact N-ND2 2.9Å; E497-N1901 PolarHBondContact N-OD1 2.7Å; E497-N1901 PolarHBondContact OE2-N 2.91Å; E497-N1901 PolarHBondContact OE2-OD1 2.68Å
498P31.4Very low28.6Very low81 Ų81118.8 Ų118.853%0.52668%0.683SS.*  -116.7-168.1-112.146.5-29.5000115.2L2024P498-L2024 WeakPolarHBondContact O-CD1 3.33Å; P498-L2024 WeakPolarHBondContact O-CD2 3.48Å
499D27.5Very low28.5Very low106 Ų106122 Ų12257%0.56769%0.692SS**  trans-104.5171-174.6-114.6-51.3000115.7A2025D499-A2025 VanDerWaalsContact OD1-CB 3.32Å; D499-A2025 WeakPolarHBondContact OD1-CB 3.46Å
500N29.3Very low28.4Very low128 Ų128123 Ų12368%0.68469%0.687SS**  trans120.1130.2167.4-65.1-43.6000113.1
501Q29Very low28.5Very low148 Ų148128 Ų12869%0.69269%0.692SS**  cis-158.4153.21.9-125172.9-52.700112.2
502E29.9Very low28.7Very low162 Ų162125 Ų12576%0.75769%0.691SS**  trans74.3124.8149.6-78.5-175.8-172.100124.7
503V29.9Very low28.7Very low116 Ų116127.6 Ų127.670%0.70369%0.687SS**  trans8492.1136.8-179.50000121
504L25.5Very low28.8Very low157 Ų157127.4 Ų127.482%0.82268%0.682SS**  49.4131127.2-58.1173.4000122.5
505S28.6Very low28.7Very low126 Ų126130.4 Ų130.488%0.88169%0.688SS**  trans112.8140.6150.7-46.30000115.9
506A26.7Very low28.6Very low95 Ų95132.2 Ų132.279%0.78570%0.697SS**  trans-141.1-173.9-173.400000108.4
507P38.9Very low28.5Very low111 Ų111131.5 Ų131.572%0.72170%0.697SS**  cis-139-163.71.442.9-23.6000115.2
508N26.3Very low28.6Very low128 Ų128129.2 Ų129.268%0.68469%0.693SS**  trans89.1119.8151.3-99.853.3000121.6
509D28.9Very low28.4Very low131 Ų131132.1 Ų132.170%0.70170%0.699SS**  57134.4122.6-64.41.1000120.4
510E25.9Very low28.3Very low156 Ų156134.6 Ų134.673%0.72971%0.711SS**  cis-147.3178.712.2-56.8-179.917300113.4
511R29.8Very low28.3Very low216 Ų216133 Ų13382%0.81571%0.71SS**  trans7387.3135.6-161.3170.7-173.8158.4-0.7121.4
512A32.1Very low28.4Very low80 Ų80133.8 Ų133.866%0.66171%0.714SS**  54.2123.5125.200000122.7
513Q29.1Very low28.3Very low154 Ų154132.6 Ų132.672%0.7271%0.708SS**  58.7133.7129.7-68.9177-6.700119.7
514Y26.6Very low28.3Very low181 Ų181135.4 Ų135.471%0.7172%0.718SS**  cis-156.2159.719.1-105.5-63.9000111
515L27.5Very low28.6Very low130 Ų130130.9 Ų130.968%0.68171%0.71SS**  trans65.1125.8153.9-65.7166000117.7
516Q25Very low28.7Very low155 Ų155132.9 Ų132.972%0.72471%0.705SS**  55.612891.9-65.6-169.7-25.900114.8
517T25.9Very low29Very low95 Ų95129.9 Ų129.958%0.58368%0.684SS**  cis-164170.9-4.725.70000110.3
518S27.4Very low28.7Very low58 Ų58131.2 Ų131.241%0.40668%0.681SS.*  trans65173.2149.850.40000116.7N2017S518-N2017 PolarHBondContact O-ND2 2.79Å
519H27.5Very low29.1Very low141 Ų141128.5 Ų128.565%0.65368%0.675SS**  cis-149.9171.914.1-45.7-116000109.7
520L25.3Very low29.3Very low158 Ų158126.5 Ų126.583%0.82767%0.665SS**  -172.9163.1116.2-100.8167.6000112.8
521S28.9Very low29.7Very low94 Ų94124.7 Ų124.766%0.65766%0.657SS**SBendtrans61.1131.6-170.8-68.10000115.8
522E30.6Very low29.9Very low165 Ų165119.3 Ų119.377%0.77164%0.644SS**  cis-164.1129.1-16.4-119.6152.1114.100104.9
523Q27.6Very low29.9Very low138 Ų138119.3 Ų119.365%0.64564%0.644SS**  cis89.3122.332-172.3172.1-9.200115.4E526Q523-E526 PolarHBondContact NE2-OE1 3.47Å
524L30.3Very low29.9Very low174 Ų174114.7 Ų114.791%0.91164%0.638SS**  trans173.1141.9151-98.5166.1000110.8
525G31.4Very low30.2Very low62 Ų62112.1 Ų112.164%0.63964%0.636SS**  cis135.4151.2-27.500000117.7
526E30.7Very low30.5Very low168 Ų168110.8 Ų110.879%0.78563%0.629SS**  cis-162.7159.1-18-58.1-170.3-152.600110.1Q523Q523-E526 PolarHBondContact NE2-OE1 3.47Å
527G33.6Very low31.3Very low33 Ų33107.2 Ų107.234%0.3462%0.619SS.*  trans129.5174.8173.100000116.8E135E135-G527 CarbonylContact C-O 3.58Å; E135-G527 PolarHBondContact N-O 2.82Å; E135-G527 CarbonylContact O-C 3.33Å
528E32.2Very low32.1Very low139 Ų139106.5 Ų106.565%0.6562%0.616SS**  cis-139.7157.1-31.7-68.6-146.280.100115.5P133 A134 E135P133-E528 HydrophobicContact CB-CB 3.83Å; P133-E528 HydrophobicContact CB-CG 4.04Å; P133-E528 HydrophobicContact CG-CB 4.32Å; P133-E528 HydrophobicContact CG-CG 3.96Å; P133-E528 WeakPolarHBondContact CG-OE1 3.23Å; A134-E528 VanDerWaalsContact C-C 3.4Å; A134-E528 CarbonylContact C-O 3.57Å; A134-E528 VanDerWaalsContact CA-C 3.48Å; A134-E528 VanDerWaalsContact N-CA 3.29Å; E135-E528 PolarHBondContact N-O 2.67Å; E135-E528 PolarHBondContact O-N 2.86Å
529A34.2Very low32.6Very low70 Ų70109.1 Ų109.158%0.57963%0.631SS**  trans-134-146.6-168.400000118.5P133P133-A529 VanDerWaalsContact CB-N 3.34Å
530D34.4Very low32.7Very low89 Ų89104.7 Ų104.748%0.47662%0.624SS.*  -178.2-151.578-161.111.6000118.9P131 A132P131-D530 WeakPolarHBondContact CB-OD2 3.22Å; P131-D530 WeakPolarHBondContact CG-OD2 3.44Å; A132-D530 WeakPolarHBondContact CA-OD1 3.31Å; A132-D530 WeakPolarHBondContact CA-OD2 3.24Å; A132-D530 HydrophobicContact CB-CB 4.47Å; A132-D530 VanDerWaalsContact CB-OD2 3.3Å; A132-D530 WeakPolarHBondContact CB-OD2 3.29Å; A132-D530 VanDerWaalsContact N-CG 3.26Å; A132-D530 PolarHBondContact N-OD1 3.14Å; A132-D530 PolarHBondContact N-OD2 2.91Å
531Q33.1Very low32.8Very low119 Ų119102.9 Ų102.956%0.55661%0.614SS**  trans-89.1-164.3-163.6-93.9152.296.800117.6P131P131-Q531 VanDerWaalsContact CA-NE2 3.31Å; P131-Q531 HydrophobicContact CB-CB 3.92Å; P131-Q531 HydrophobicContact CB-CG 4.32Å; P131-Q531 VanDerWaalsContact CB-NE2 3.32Å
532D33.7Very low32.9Very low102 Ų102102.5 Ų102.555%0.54561%0.612SS.*  cis-174.5168.242-172.420.8000116.6Q129 V130Q129-D532 PolarHBondContact NE2-OD1 3.36Å; V130-D532 WeakPolarHBondContact CG2-OD1 3.4Å
533A32.2Very low33Very low80 Ų80104.7 Ų104.766%0.66161%0.613SS**  trans70.9144.4149.700000123.9
534G30.2Very low33Very low58 Ų58104.6 Ų104.660%0.59862%0.616SS**  cis166179-1000000118
535L33.6Very low32.9Very low126 Ų126100.9 Ų100.966%0.6660%0.601SS**  trans75.4178.6168.8-46.8-176.5000116.7
536L32.3Very low32.6Very low102 Ų102104.1 Ų104.153%0.53460%0.602SS.*  cis-170.8173.6-44-93.3172.6000107.5Q126Q126-L536 HydrophobicContact CG-CD2 4.41Å
537P42Very low32.6Very low80 Ų8099.8 Ų99.852%0.51960%0.603SS.*  cis-128.2-106.8-32.434.6-9.6000114.5Q125Q125-P537 PolarHBondContact NE2-O 2.91Å; Q125-P537 VanDerWaalsContact OE1-C 3.26Å; Q125-P537 PolarHBondContact OE1-O 3.27Å
538P44.1Very low32.5Very low80 Ų80103.8 Ų103.852%0.51961%0.613SS.*  trans-122.5-157.7-157.950.9-33.3000114.6Q125Q125-P538 HydrophobicContact CG-CB 3.77Å
539P36.8Very low32.8Very low113 Ų113102.4 Ų102.473%0.73462%0.616SS**  cis-136.4177.4-10.343.6-26.8000116.9
540G30.2Very low32.7Very low48 Ų48105.9 Ų105.950%0.49562%0.62SS.*  trans97.4129.5131.100000122.1
541L27.5Very low32.7Very low120 Ų120108.6 Ų108.663%0.62863%0.634SS**  trans43122.2144.6-75.9167.1000122.7Y121Y121-L541 HydrophobicContact CE1-CD2 3.68Å; Y121-L541 WeakPolarHBondContact OH-CD2 3.2Å
542S30.7Very low32.4Very low86 Ų86109.3 Ų109.360%0.60164%0.642SS**  74.6144.3128.2-66.90000122.6
543R32.8Very low32.4Very low212 Ų212109.8 Ų109.880%0.865%0.653SS**  trans59124147.2-75.9-169.4160.2-158.2-6.9119.2
544L26.7Very low32.5Very low136 Ų136114 Ų11471%0.71266%0.659SS**  87.1156.265.2-139.877.9000112.4
545V28.2Very low32.6Very low96 Ų96118.5 Ų118.558%0.58266%0.664SS**  trans77.2113.6150.8151.40000118
546L25.3Very low32.6Very low129 Ų129119.5 Ų119.568%0.67567%0.666SS**  41.3127.5112.8-123.875.1000117.9Q548L546-Q548 HydrophobicContact CB-CG 4.38Å; L546-Q548 WeakPolarHBondContact O-CG 3.06Å
547G32Very low32.5Very low78 Ų78124 Ų12480%0.80468%0.676SS**SBend-88.9109.8122.900000106.2
548Q30Very low31.9Very low116 Ų116126.9 Ų126.954%0.54268%0.682SS.*  74.9140.457.6-63.6179.512.800112.2L546L546-Q548 HydrophobicContact CB-CG 4.38Å; L546-Q548 WeakPolarHBondContact O-CG 3.06Å
549P38.5Very low31.1Very low111 Ų111128 Ų12872%0.72169%0.687SS**  cis-64.6135.827.9-23.436.1000115.5
550E32.9Very low30.5Very low142 Ų142126.5 Ų126.566%0.66468%0.676SS**  68.6135.568.6-65.3-172.9130.800113.8
551L33.3Very low30.3Very low146 Ų146126.9 Ų126.976%0.76468%0.68SS**  cis-160.7160.8-16.8-124.9169.7000109.9
552D28.7Very low30.3Very low135 Ų135125.5 Ų125.572%0.72269%0.686SS**  trans-67.7154.7179-73.4-73000114.8
553S33.6Very low30.2Very low111 Ų111127.4 Ų127.478%0.77669%0.694SS**  -167.2121.7124.320.60000117.3
554Q33.5Very low29.9Very low169 Ų169125 Ų12579%0.7969%0.692SS**  trans75.8100.7136.7-69.2-173.5-1300124
555Q32.4Very low29.8Very low152 Ų152126 Ų12671%0.7169%0.693SS**  83.1109.8112.4-82.4-178.5-2000123.6
556Q33.9Very low30.2Very low148 Ų148126.6 Ų126.669%0.69270%0.699SS**  107109.8103.7-165.8162.3-4.100121.6
557R30Very low30.5Very low195 Ų195125.6 Ų125.674%0.73670%0.7SS**  trans65114.6147.6-80.2-170.7169.7-118.31.4122.7
558Q28.8Very low30.3Very low142 Ų142129.4 Ų129.466%0.66470%0.701SS**  91.2110.9124.4-73.2-172.7-75.500123
559V27.7Very low30.2Very low102 Ų102130.7 Ų130.762%0.61871%0.712SS**  88.5137.4125.3176.70000119.7
560T24.6Very low29.7Very low83 Ų83132 Ų13251%0.50972%0.717SS.*  trans63.7119.6167.941.20000120.7A414 P415 S416A414-T560 HydrophobicContact CB-CG2 4.15Å; P415-T560 WeakPolarHBondContact O-CA 3.36Å; P415-T560 VanDerWaalsContact O-CG2 3.31Å; P415-T560 WeakPolarHBondContact O-CG2 3.04Å; S416-T560 WeakPolarHBondContact OG-CA 3.38Å
561G25.9Very low29.5Very low55 Ų55129.5 Ų129.557%0.56772%0.721SS**  111.466.696.100000120.5S416S416-G561 PolarHBondContact OG-N 2.71Å; S416-G561 VanDerWaalsContact OG-N 3.11Å
562A27.5Very low29.4Very low92 Ų92132 Ų13276%0.7673%0.729SS**  trans52.8146.6137.900000123.7
563T27.2Very low29.5Very low126 Ų126129.9 Ų129.977%0.77373%0.731SS**  trans79.8129.9152.690000120.5
564E26.2Very low29.3Very low160 Ų160128.9 Ų128.975%0.74873%0.729SS**  trans63.3152.3157.8-50.6-148.1112.300117.6
565Q24.8Very low29Very low157 Ų157124.7 Ų124.773%0.73472%0.723SS**  cis-159.8176.3-19.9-110.2-165.450.900106.6
566P36.6Very low28.8Very low109 Ų109124.9 Ų124.971%0.70873%0.728SS**  trans-89.7-169.6-17841.3-39.6000112.2
567P33.3Very low28.6Very low108 Ų108125 Ų12570%0.70173%0.729SS**  cis-134167.3-9.139.9-23000116.9
568L26.8Very low28.4Very low159 Ų159123.1 Ų123.183%0.83273%0.73SS**  trans50.4152.1142-70168.3000124.9
569N28.4Very low28.6Very low142 Ų142124.4 Ų124.476%0.75974%0.736SS**  trans70.1122.2172.9-60.4-24.8000116.5
570V27.8Very low28.5Very low138 Ų138126.5 Ų126.584%0.83674%0.739SS**  cis74.8109.222.8-167.30000115.5
571A28.5Very low28.7Very low90 Ų90131.5 Ų131.574%0.74475%0.748SS**  trans164146134.600000113.1
572Q31.5Very low28.8Very low198 Ų198140.1 Ų140.193%0.92576%0.764SS**  trans179.1136.3134.6-100.3177.727.400108.9
573A30.3Very low28.8Very low92 Ų92139.4 Ų139.476%0.7676%0.758SS**SBendcis-158.3163.4-10.100000108.3
574A28.8Very low29Very low89 Ų89140.8 Ų140.874%0.73676%0.761SS**  cis-157.1165.52.800000111.8
575A27.8Very low29.4Very low82 Ų82135.9 Ų135.968%0.67875%0.754SS**  trans67.3107.8139.300000122.6
576L28.5Very low29.8Very low156 Ų156136.8 Ų136.882%0.81776%0.758SS**  89.6135.4126.1-63.3168.2000122.5
577H29.8Very low29.7Very low151 Ų151137.8 Ų137.870%0.69976%0.757SS**  trans59.5105.4143.8-85.679.9000121.9
578M25.2Very low29.7Very low155 Ų155137.6 Ų137.676%0.76475%0.754SS**  56.1111.5115.7-71.2-125.9-63.600121.2
579Q32.4Very low29.7Very low169 Ų169134.6 Ų134.679%0.7975%0.747SS**  64.771.6105.7-155.876.610.500119.7
580E27.2Very low29.7Very low145 Ų145135.8 Ų135.868%0.67875%0.753SS**  trans-145.6121.7136.7-85.7-146.678.100107.9
581R27.5Very low29.9Very low188 Ų188132.6 Ų132.671%0.70975%0.747SS**  77.3134.276.7-78.1-154.3-66.5-145.2-4.8113.6
582R29.1Very low29.9Very low236 Ų236136.3 Ų136.389%0.89175%0.749SS**  trans72.7152.9176.3-51.5-173.4-174.8-103-2111.9
583A27.8Very low29.7Very low78 Ų78133.9 Ų133.965%0.64574%0.738SS**  cis175.3150.1-4.100000105.1
584D31Very low29.7Very low154 Ų154138.4 Ų138.482%0.82474%0.743SS**  cis-140174.6-5.9-62.3-56000106.1
585G35.1Very low29.7Very low58 Ų58140.3 Ų140.360%0.59875%0.746SS**  cis-143.8-174.21.900000110.8
586E31.9Very low29.9Very low176 Ų176146.6 Ų146.682%0.82275%0.752SS**  69.7131.671.5-59.1-179.1157.100112
587D34.6Very low29.7Very low130 Ų130144 Ų14470%0.69574%0.739SS**  cis-161.21794.8-139.8-17.4000114.1
588T32.9Very low30Very low104 Ų104144.1 Ų144.164%0.63874%0.743SS**  trans45.3117.1152.155.20000119.7
589S28.4Very low30Very low96 Ų96142.2 Ų142.267%0.67173%0.733SS**  71.212562.180.60000116.3
590D27.3Very low29.8Very low167 Ų167139.2 Ų139.289%0.89373%0.726SS**  trans23.5119.2149.4-50.6-47.4000120.6
591G31.8Very low30.7Very low70 Ų70137.3 Ų137.372%0.72273%0.726SS**  trans165.499.9169.900000109.7
592E28.2Very low31.1Very low168 Ų168133.3 Ų133.379%0.78572%0.724SS**  58.9112.687.4-71.1-140.696.800116.3
593Q27.9Very low31Very low147 Ų147132.8 Ų132.869%0.68772%0.722SS**  trans61.7108.4139.8-54-172.729.600121.5
594Q30.1Very low31Very low187 Ų187139 Ų13987%0.87473%0.729SS**  4577.5124.4-57.8-172.310.800119.9
595V30.1Very low30.8Very low129 Ų129137.2 Ų137.278%0.78272%0.724SS**  trans-142.5129.1154.6-179.90000109.8
596R31.3Very low30.9Very low214 Ų214140.3 Ų140.381%0.80873%0.731SS**  cis-154.9147.8-18.7-117.4-178-174.7132.23.7108.5
597N24.6Very low30.9Very low101 Ų101137.2 Ų137.254%0.5472%0.724SS.*  7120125.3163.891.7000116.9Q599N597-Q599 PolarHBondContact ND2-OE1 3.3Å; N597-Q599 PolarHBondContact OD1-NE2 3.16Å
598I35.3Very low30.8Very low155 Ų155134.5 Ų134.580%0.79573%0.726SS**  trans-133.6114.7133.3-99.2165.9000105.2
599Q26.5Very low30.8Very low115 Ų115135.2 Ų135.254%0.53773%0.73SS.*  60.4121.187.4-100.765.685.600113N597N597-Q599 PolarHBondContact ND2-OE1 3.3Å; N597-Q599 PolarHBondContact OD1-NE2 3.16Å
600T26.4Very low30.9Very low106 Ų106138.2 Ų138.265%0.6573%0.733SS**  cis-177171.6-14.721.10000106.3
601P47.9Very low31.1Very low104 Ų104135.6 Ų135.668%0.67572%0.724SS**  trans-60.1-175.5149.134.4-40.1000110.4
602P34.4Very low31Very low105 Ų105138.8 Ų138.868%0.68272%0.724SS**  -153.1-179.491.839.1-21.1000113
603R27.1Very low30.8Very low224 Ų224135.2 Ų135.285%0.84572%0.724SS**  trans47.5135.5138.8-75.3168.8172.7177.4-2.3117.6
604R27.8Very low31.2Very low210 Ų210133.2 Ų133.279%0.79272%0.724SS**  cis175.7159.246.7-144.5178.3-179.5176.6-1.7109.2
605V28.1Very low31.2Very low116 Ų116128.9 Ų128.970%0.70371%0.714SS**  trans55.9146.7168.9-62.10000114.4T607V605-T607 HydrophobicContact CG1-CG2 4.13Å
606V35.5Very low31.7Very low123 Ų123129.5 Ų129.575%0.74571%0.712SS**  cis-126.9107.825158.70000106.6
607T33.1Very low31.3Very low111 Ų111127 Ų12768%0.68170%0.703SS**  55118.288.862.30000114.6V605V605-T607 HydrophobicContact CG1-CG2 4.13Å
608G32.6Very low31.7Very low72 Ų72131.3 Ų131.374%0.74272%0.719SS**  trans92.9156.1171.600000113.7
609V33.3Very low31.3Very low119 Ų119130.5 Ų130.572%0.72171%0.712SS**  cis-150.9152.2-8.4109.50000109.3
610E30.4Very low31.2Very low159 Ų159134.3 Ų134.374%0.74372%0.722SS**  trans7.4123.6156.1-51.8146.6-151.600115.9
611T31Very low31.2Very low113 Ų113136.2 Ų136.269%0.69372%0.723SS**  -171.7163.158.8380000112.5
612N28.6Very low30.5Very low136 Ų136137 Ų13773%0.72773%0.726SS**  trans42.7109.2142.6-54.3-14.4000119.8
613A23.9Very low30.6Very low94 Ų94137.3 Ų137.378%0.77773%0.726SS**  -72.8157.7128.400000109.5
614P37.6Very low31Very low105 Ų105133.1 Ų133.168%0.68272%0.719SS**  cis-126.8-144.9-7.242.6-25.5000110.8L616P614-L616 HydrophobicContact CG-CD1 4.29Å
615S29.9Very low31.3Very low95 Ų95129.7 Ų129.766%0.66472%0.717SS**  trans-63.3-148.5158.553.70000113.2
616L39.6Very low31.6Very low143 Ų143125.6 Ų125.675%0.74970%0.698SS**SBendtrans75.588.1168.3-59.7158.6000115.7P614P614-L616 HydrophobicContact CG-CD1 4.29Å
617R24.5Very low31.2Very low162 Ų162121.8 Ų121.861%0.61167%0.672SS**THydrogen-bonded Turntrans60.7161.3-167.9-150.3-179.799.9168.32.5112.1Q619 R620 E621R617-Q619 VanDerWaalsContact NE-C 3.32Å; R617-Q619 PolarHBondContact NE-O 2.83Å; R617-Q619 PolarHBondContact NH2-O 3.22Å; R617-Q619 PolarHBondContact O-N 2.81Å; R617-R620 WeakPolarHBondContact CD-O 3.14Å; R617-R620 PolarHBondContact NE-O 3.27Å; R617-R620 PolarHBondContact NH1-O 2.88Å; R617-E621 PolarHBondContact NH1-O 3.44Å
618E32.1Very low31.1Very low190 Ų190121.9 Ų121.989%0.88867%0.668SS**THydrogen-bonded Turntrans-68.688.8142.9-70.1-176.2111.300107.3
619Q26.4Very low31Very low139 Ų139124.9 Ų124.965%0.6567%0.667SS**THydrogen-bonded Turntrans48.7106.3177.1-62.9-16912.600118.5R617R617-Q619 VanDerWaalsContact NE-C 3.32Å; R617-Q619 PolarHBondContact NE-O 2.83Å; R617-Q619 PolarHBondContact NH2-O 3.22Å; R617-Q619 PolarHBondContact O-N 2.81Å
620R24Very low31.1Very low194 Ų194128.1 Ų128.173%0.73267%0.674SS**  trans76.5-165.3139.7-55.6171159.9-142.2-9.2117.5R617R617-R620 WeakPolarHBondContact CD-O 3.14Å; R617-R620 PolarHBondContact NE-O 3.27Å; R617-R620 PolarHBondContact NH1-O 2.88Å
621E28Very low31.4Very low147 Ų147126.6 Ų126.669%0.68767%0.671SS**  trans45121.5164.4-59.6-174.9167.400118.3R617R617-E621 PolarHBondContact NH1-O 3.44Å
622V33.4Very low31.5Very low120 Ų120132.5 Ų132.573%0.72768%0.681SS**  cis-156127.58.9105.10000110.2
623V35.5Very low31.5Very low112 Ų112135 Ų13568%0.67969%0.688SS**  trans79.6121.6134.6160.50000120.3
624L36Very low31.8Very low135 Ų135134.5 Ų134.571%0.70768%0.684SS**  45.8141.7128.7-49.5-175.9000119.3
625D33.1Very low31.2Very low138 Ų138137.1 Ų137.174%0.73869%0.691SS**  cis-146.11591-92.1-35.9000106.8
626G35.5Very low31.4Very low31 Ų31138 Ų13832%0.3269%0.694SS.*  103.4109.172.600000109.9Q241 Q242Q241-G626 PolarHBondContact O-N 3.27Å; Q242-G626 CarbonylContact O-C 3.24Å; Q242-G626 VanDerWaalsContact O-C 3.26Å
627E26.5Very low31.4Very low42 Ų42136.3 Ų136.320%0.19669%0.691CS.*  54.2106.890.2-68.4-74.6145.800114.9H240 Q241 Q242H240-E627 HydrophobicContact CB-CG 3.45Å; H240-E627 VanDerWaalsContact CB-CG 3.45Å; H240-E627 WeakPolarHBondContact CB-OE1 3.49Å; H240-E627 VanDerWaalsContact CD2-CD 3.42Å; H240-E627 WeakPolarHBondContact CD2-CG 3.36Å; H240-E627 IonicContact CD2-OE1 2.94Å; H240-E627 IonicContact CD2-OE2 3.53Å; H240-E627 IonicContact CE1-OE1 3.14Å; H240-E627 PolarHBondContact CE1-OE1 3.49Å; H240-E627 IonicContact CE1-OE2 3.18Å; H240-E627 IonicContact CG-OE1 2.77Å; H240-E627 IonicContact ND1-OE1 2.67Å; H240-E627 PolarHBondContact ND1-OE1 2.92Å; H240-E627 IonicContact NE2-OE1 3.88Å; H240-E627 IonicContact NE2-OE2 2.73Å; Q241-E627 HydrophobicContact CB-CB 4.5Å; Q241-E627 HydrophobicContact CB-CG 3.85Å; Q241-E627 WeakPolarHBondContact CB-OE1 3.36Å; Q241-E627 VanDerWaalsContact CD-OE1 3.27Å; Q241-E627 WeakPolarHBondContact CG-OE1 3.42Å; Q241-E627 PolarHBondContact N-OE1 3.47Å; Q241-E627 PolarHBondContact NE2-OE1 2.95Å; Q241-E627 PolarHBondContact NE2-OE2 3.43Å; Q242-E627 PolarHBondContact O-N 3.48Å
628N31.3Very low32Very low113 Ų113133.8 Ų133.860%0.60470%0.696SS**  4992.7101.3-179.931.4000116.7
629L31.1Very low31.7Very low136 Ų136130.3 Ų130.371%0.71269%0.688SS**  trans-156.4161159.4-98.3167.2000105.3
630E35.4Very low32Very low186 Ų186131.5 Ų131.587%0.86970%0.698SS**  cis-123.4124.519.6-66.8176.2134.700112.8
631D35.6Very low32.2Very low128 Ų128125.8 Ų125.868%0.68469%0.693SS**  trans-61.1162.9163.3-57.5-82.6000111.6
632R32.6Very low32.4Very low237 Ų237126.5 Ų126.589%0.89470%0.696SS**  173.1164.3116-89.6154.275.282.29.5113.6
633E29.5Very low32.3Very low188 Ų188127.6 Ų127.688%0.87970%0.697SS**  trans-65.2163162.8-60.5176100.500112.6
634A29.6Very low32.3Very low84 Ų84127.4 Ų127.469%0.69470%0.698SS**  trans85.9100.5165.400000119.6
635I25.2Very low32Very low160 Ų160126.6 Ų126.682%0.82170%0.699SS**  52.3126.3116.1-58.9157.5000118.1
636P34.4Very low31.9Very low114 Ų114126.9 Ų126.974%0.7471%0.705SS**  cis-135.1-158.3-25.544.1-23.2000110.6
637P39.2Very low31.6Very low106 Ų106130 Ų13069%0.68872%0.723SS**  trans-105.2174.5-160.142.6-39.1000116.9
638P37.7Very low31.8Very low110 Ų110133.7 Ų133.771%0.71475%0.748SS**  -104.6127.3126.734-28.7000110.1
639T26Very low31.7Very low117 Ų117135.3 Ų135.372%0.71875%0.751SS**  47.2113.581.867.70000112.3
640L32.1Very low31.5Very low163 Ų163137 Ų13785%0.85376%0.755SS**  -142.713650.8-84.5138.9000110.2
641A29.3Very low31.3Very low75 Ų75135.3 Ų135.362%0.6275%0.752SS**  82.9140.47800000113.1
642E31.8Very low31.1Very low162 Ų162136.5 Ų136.576%0.75776%0.757SS**  cis-163.1163.77.7-131.6-175.7147.400113.8
643L31.5Very low30.8Very low143 Ų143133 Ų13375%0.74976%0.755SS**  trans72.1154.2150.6-69169.6000120.8
644P35.1Very low31.2Very low107 Ų107128.9 Ų128.970%0.69575%0.745SS**  trans-145.2-162.8-132.246.6-26000116.6
645T29.8Very low31.1Very low119 Ų119132.4 Ų132.473%0.7375%0.752SS**  trans-32.5131.7166.454.80000118.4
646T30.4Very low31.2Very low143 Ų143133.1 Ų133.188%0.87775%0.752SS**  -138.9128.4115.952.20000108.1
647S30.4Very low31Very low98 Ų98132 Ų13269%0.68575%0.752SS**SBendcis-159.3135.14.353.20000113.2
648V29.3Very low30.7Very low118 Ų118134.5 Ų134.572%0.71576%0.755SS**  trans6598.1142.3-179.70000116.6
649H28.7Very low30.5Very low148 Ų148135.8 Ų135.869%0.68575%0.751SS**  76.8145.982.5-74.5-57.6000114.3
650H27.5Very low30.8Very low172 Ų172136.6 Ų136.680%0.79675%0.751SS**  cis-160.6-174.3-15.5-127.2-0.2000109.9
651N31Very low30.8Very low149 Ų149136.3 Ų136.380%0.79774%0.744SS**  trans-111.4175.3168.3-139.9-13.8000109.9
652I31.9Very low31Very low153 Ų153140.9 Ų140.979%0.78575%0.753SS**  trans97.899.1169.9-53.1166.8000117.5
653L25.5Very low30.9Very low163 Ų163139.1 Ų139.185%0.85375%0.748SS**  trans64.8168.9137.6-118.174.4000119.6
654P38.5Very low30.8Very low102 Ų102139.7 Ų139.766%0.66275%0.752SS**  -124.9166-102.142.2-28.2000114.9
655D28.4Very low31.3Very low159 Ų159139.6 Ų139.685%0.8575%0.752SS**  trans-165.3179.1132.8-114.9-21.3000113.7
656E27.8Very low31.7Very low175 Ų175139.1 Ų139.182%0.81875%0.75SS**  trans-71.4172.3-163.7-51-175.294.300118.2
657A30Very low31.6Very low91 Ų91141.1 Ų141.175%0.75275%0.75SS**  trans73138.9149.100000119
658E31.6Very low31.4Very low158 Ų158140.7 Ų140.774%0.73875%0.753SS**  cis-157.9163.60.1-128.2-169.2125.500113.2
659Q33.5Very low31.4Very low136 Ų136144.3 Ų144.364%0.63676%0.764SS**  trans74.2105.4149.7-74.1176.835.200122.7
660L33.3Very low31.5Very low135 Ų135143.6 Ų143.671%0.70777%0.77SS**  trans70131.7139.7-42168.7000118.9
661H32.1Very low32.1Very low157 Ų157140.7 Ų140.773%0.72777%0.767SS**  cis-156.7140.8-15.5-85.1154.3000105.4
662H33.2Very low32.1Very low171 Ų171141.7 Ų141.779%0.79277%0.771SS**  52.614268.9-84.865.8000116.3
663N29.4Very low31.9Very low124 Ų124141.6 Ų141.666%0.66377%0.772SS**  cis-169.8141.7-32.8-135.9-28.9000109.7
664N29.5Very low32.1Very low155 Ų155137.4 Ų137.483%0.82976%0.761SS**  trans57166.7166.7-100.4-11.6000122.1
665P45.1Very low31.9Very low106 Ų106141.4 Ų141.469%0.68877%0.771SS**  trans-107.7-160.1-178.746.7-38.6000111.6
666P39.6Very low31.9Very low108 Ų108142.2 Ų142.270%0.70177%0.77SS**  cis-140.3-175.4-2.345.9-27.8000117.6
667Q27.7Very low32.4Very low185 Ų185138.3 Ų138.386%0.86476%0.759SS**  trans66.8135.7157.1-64.5-155.912.900123.8
668A26Very low32.5Very low90 Ų90140.1 Ų140.174%0.74475%0.752SS**  trans59.4106.2146.400000122.3
669M29.7Very low32.4Very low193 Ų193137.3 Ų137.395%0.95174%0.739SS**  -166.9167.4108-102.3-171.1-171.500112.3
670T31.4Very low32.3Very low133 Ų133135.5 Ų135.582%0.81673%0.73SS**  trans-106.5-169.517950.70000110.7
671P39.5Very low32.2Very low112 Ų112136.8 Ų136.873%0.72773%0.733SS**  -124.2168.4-70.638-25.3000112.4
672L30.8Very low32.2Very low169 Ų169133.7 Ų133.789%0.88573%0.729SS**  trans-168.7112.4151-109.4159.5000115.4
673N26.6Very low32.2Very low151 Ų151131.3 Ų131.381%0.80773%0.727SS**  trans22.3149141-155.318.2000124.4
674A29.5Very low32.5Very low76 Ų76131.6 Ų131.663%0.62873%0.727SS**  trans68.1142.9167.100000116.9
675Q35.9Very low32.9Very low186 Ų186131.6 Ų131.687%0.86972%0.722SS**  cis-142.8162.130-150.4101.2-8.400114
676Q28Very low32.5Very low176 Ų176132.9 Ų132.982%0.82272%0.719SS**  trans-96.3-176.7167.6-84.2-176.20.800110.8
677P37.4Very low32.3Very low92 Ų92134.7 Ų134.760%0.59772%0.718SS**  cis-141.8-168.9-38.536.5-16.2000114.7
678H31.9Very low32.6Very low129 Ų129132.4 Ų132.460%0.59771%0.707SS**  trans85.1130.5133-84.2-14.7000126.4
679Q30.8Very low33Very low99 Ų99134.9 Ų134.946%0.46370%0.703SS.*  87.7128.9126-75.2177.736.100124.2
680Q31.8Very low33.3Very low98 Ų98132.7 Ų132.746%0.45869%0.691SS.*  trans66.1156.4134.1-66.3172.94.900119.5
681Q30.8Very low33.4Very low163 Ų163134.2 Ų134.276%0.76269%0.688SS**  cis-150.2172-16.5-128.5174-300111.4
682S31.7Very low33.2Very low91 Ų91133 Ų13364%0.63668%0.683SS**  trans-77.9160.7-176.247.50000115.9
683T32.6Very low33.5Very low122 Ų122129.1 Ų129.175%0.74867%0.666SS**  167157.2110.938.80000117.4
684L37.2Very low33.9Very low130 Ų130126.6 Ų126.668%0.68166%0.656SS**  trans93.1120.4142-80.7155000125
685Q36.5Very low34Very low155 Ų155130.3 Ų130.372%0.72466%0.661SS**  trans70.8142.3142.7-105.1132.55200120.7
686Q36.4Very low33.9Very low132 Ų132128.6 Ų128.662%0.61765%0.653SS**  cis-166.6157.5-8.6-143.8-177.657.900113.3
687Q35.7Very low34.1Very low146 Ų146126.1 Ų126.168%0.68264%0.641SS**  trans68.9149.9161.8-51.4-16533.900117.6
688H34.9Very low33.9Very low137 Ų137129.8 Ų129.863%0.63465%0.647SS**  cis-152.1141.74.3-145.388.2000113.5
689Q34.5Very low34Very low142 Ų142132.6 Ų132.666%0.66466%0.658SS**  trans65.4125.5157.8-86.9-17762.100126.1
690Q34.8Very low34Very low147 Ų147139.1 Ų139.169%0.68768%0.678SS**  trans75.6102.8140.1-60.6-162.467.700124
691H34.8Very low33.9Very low165 Ų165138.8 Ų138.876%0.76469%0.692SS**  trans61.2134.8132.5-74.8-74.3000122.3
692S35.5Very low33.8Very low88 Ų88134.9 Ų134.962%0.61569%0.688SS**  cis169.4151.9-20.441.30000108.3
693T36.4Very low33.8Very low87 Ų87137.2 Ų137.253%0.53470%0.698SS.*  cis-176.4143.4-12.830.30000105.1Q790T693-Q790 PolarHBondContact O-NE2 2.84Å
694T34.9Very low33.8Very low97 Ų97134.9 Ų134.960%0.59570%0.698SS**  cis-146.8178.43.515.90000106.9
695Q31.9Very low33.6Very low155 Ų155139.7 Ų139.772%0.72471%0.708SS**  cis64.814542.7-41.4-172.321.100113.5
696Q33.4Very low33.3Very low150 Ų150142.7 Ų142.770%0.70171%0.712SS**  cis-154.9165.618-121.1149.65600106.9
697E32.2Very low32.8Very low123 Ų123141.8 Ų141.858%0.57572%0.716SS**  cis-170-173.2-6.1-144.7-163.912200111
698K33.8Very low32.4Very low169 Ų169140.8 Ų140.874%0.73572%0.72SS**  trans78.1163.1149.4-83.2167178.991.30122.4
699K33.6Very low32.1Very low189 Ų189138.8 Ų138.882%0.82273%0.727SS**  trans-170.7150.2-151.2-141.5175.5-170171.50111
700R30.5Very low31.6Very low235 Ų235136.8 Ų136.889%0.88773%0.729SS**  trans68.1156.5167.3-68.8-178.8170.1-168.3-2.7116
701A29.1Very low31.5Very low91 Ų91137.3 Ų137.375%0.75274%0.736SS**  cis-96.1159.414.700000113.9
702A30Very low31.2Very low81 Ų81135.6 Ų135.667%0.66973%0.732SS**  cis70.7137.134.300000113
703V30.9Very low30.9Very low140 Ų140138.4 Ų138.485%0.84874%0.739SS**  cis-139130.734170.40000109.8
704G32.5Very low30.6Very low73 Ų73139.8 Ų139.875%0.75374%0.74SS**  100.8151.288.800000110.8
705R33Very low30.2Very low232 Ų232138.3 Ų138.388%0.87573%0.733SS**  cis-139.5136.811.1-101.4-176.9170.1-147.52.4108.4
706R30.1Very low30.1Very low217 Ų217138.4 Ų138.482%0.81974%0.739SS**  64.4104.793.7-85-167.2-176.9-158.40.4115.5
707T27.4Very low29.8Very low113 Ų113139.9 Ų139.969%0.69375%0.746SS**  76.4140.888.359.60000114
708T27.4Very low29.5Very low125 Ų125139.7 Ų139.777%0.76776%0.758SS**  cis-171.7155.416.93.70000112.8
709A27.4Very low29.4Very low96 Ų96136.4 Ų136.479%0.79375%0.748SS**  trans65.2160.8149.400000118.8
710S24.1Very low29.2Very low99 Ų99135.7 Ų135.769%0.69275%0.748SS**  cis-156.7-175.22.2-137.70000111.8
711L32.2Very low29.4Very low159 Ų159132.1 Ų132.183%0.83274%0.739SS**  trans84.7122.3-178.9-51.3174.3000112.6
712D29.3Very low29.8Very low129 Ų129133.3 Ų133.369%0.6973%0.733SS**  cis81.8117.919.3-56.9-52.3000117.2
713L29.8Very low29.9Very low146 Ų146135.6 Ų135.676%0.76473%0.729SS**  trans61.6152.8169.2-56.5160.5000115.1
714E29.2Very low30.1Very low116 Ų116131.1 Ų131.154%0.54270%0.704SS.*  cis-81.4171.4-12-82.571.2-118.600112.2N174N174-E714 PolarHBondContact ND2-OE1 3.18Å; N174-E714 PolarHBondContact ND2-OE2 3.06Å
715S25.7Very low30.3Very low67 Ų67132.4 Ų132.447%0.46969%0.691SS.*  cis63102.8-4.7710000120.2
716D29.9Very low30.7Very low156 Ų156130.3 Ų130.383%0.83468%0.683SS**  cis-135.5-146.44-65.1-64.1000110.3
717E27.7Very low31.2Very low181 Ų181126.5 Ų126.585%0.84667%0.674SS**  cis-144.3-170.117.9-65.3-173.963.500112
718S26.8Very low31.7Very low120 Ų120127.3 Ų127.384%0.83966%0.664SS**  trans77.755.316072.30000120.5
719D32Very low32.2Very low99 Ų99126.5 Ų126.553%0.52966%0.656SS.*  trans-140.522155.1-15414.8000114.6F721D719-F721 VanDerWaalsContact C-N 3.27Å; D719-F721 PolarHBondContact O-N 2.68Å
720E29.1Very low32.9Very low175 Ų175129 Ų12982%0.81864%0.644SS**Hα-helixtrans-74.6-12.5-175-150.6-173.7168.200114S724E720-S724 WeakPolarHBondContact O-CB 3.3Å; E720-S724 PolarHBondContact O-OG 2.97Å
721F34.3Very low33.5Very low159 Ų159128.7 Ų128.770%0.69763%0.632SS**Hα-helixtrans-82.5-25.6-176.3-160.9-102.8000114.1D719 S724D719-F721 VanDerWaalsContact C-N 3.27Å; D719-F721 PolarHBondContact O-N 2.68Å; F721-S724 PolarHBondContact O-OG 3.31Å
722L38Very low33.9Very low117 Ų117129.2 Ų129.261%0.61362%0.623SS**Hα-helixtrans-97.8-20.6-177.9-66.7178.4000113.7
723Q32.1Very low34.2Very low129 Ų129130 Ų13060%0.60362%0.623SS**Hα-helixtrans-77.2-35.2172.8-55.8-170.132.700110.9E725 R726 E727Q723-E725 VanDerWaalsContact C-N 3.3Å; Q723-E725 PolarHBondContact O-N 3.48Å; Q723-R726 PolarHBondContact O-N 3.04Å; Q723-R726 VanDerWaalsContact O-N 3.1Å; Q723-E727 PolarHBondContact O-N 2.84Å
724S34.9Very low34.5Very low46 Ų46132.7 Ų132.732%0.32262%0.623SS.*Hα-helixtrans-73.7-6.8-179.259.70000115.7E720 F721 R728E720-S724 WeakPolarHBondContact O-CB 3.3Å; E720-S724 PolarHBondContact O-OG 2.97Å; F721-S724 PolarHBondContact O-OG 3.31Å; S724-R728 PolarHBondContact O-NE 3.48Å; S724-R728 PolarHBondContact O-NH2 3.35Å
725E36.5Very low34.8Very low100 Ų100134.5 Ų134.547%0.46763%0.625SS.*Hα-helixtrans-85.5-41.2161.8-71.9-155.6135.100111.9Q723 E727 R728 D729Q723-E725 VanDerWaalsContact C-N 3.3Å; Q723-E725 PolarHBondContact O-N 3.48Å; E725-E727 PolarHBondContact O-N 3.04Å; E725-R728 VanDerWaalsContact CG-NH2 3.29Å; E725-R728 PolarHBondContact O-N 3.22Å; E725-R728 IonicContact OE1-NH1 3.82Å; E725-D729 PolarHBondContact O-N 2.88Å
726R41.9Very low35.3Very low187 Ų187137.2 Ų137.271%0.70663%0.634SS**Hα-helixtrans-71.2-13-178.2-137.2176.2-171.9-176.64.2114.1Q723 R730Q723-R726 PolarHBondContact O-N 3.04Å; Q723-R726 VanDerWaalsContact O-N 3.1Å; R726-R730 PolarHBondContact O-NH1 3.03Å
727E39Very low35.4Very low137 Ų137137.2 Ų137.264%0.6463%0.633SS**Hα-helixtrans-87.5-39.5167.4-159.7106.2-111.600111.7Q723 E725 D729 R730 E731Q723-E727 PolarHBondContact O-N 2.84Å; E725-E727 PolarHBondContact O-N 3.04Å; E727-D729 VanDerWaalsContact C-N 3.34Å; E727-D729 PolarHBondContact O-N 3.04Å; E727-R730 PolarHBondContact O-N 3.25Å; E727-E731 WeakPolarHBondContact O-CB 3.28Å; E727-E731 PolarHBondContact O-N 2.76Å
728R38.2Very low35.4Very low130 Ų130137.2 Ų137.249%0.49164%0.635SS.*Hα-helixtrans-64.2-31.6-176.8-95.1-176.5-78.4139.6-8.8114.2S724 E725 R732S724-R728 PolarHBondContact O-NE 3.48Å; S724-R728 PolarHBondContact O-NH2 3.35Å; E725-R728 VanDerWaalsContact CG-NH2 3.29Å; E725-R728 PolarHBondContact O-N 3.22Å; E725-R728 IonicContact OE1-NH1 3.82Å; R728-R732 PolarHBondContact O-N 3.06Å
729D39.1Very low35.4Very low109 Ų109139.8 Ų139.858%0.58363%0.634SS**THydrogen-bonded Turntrans-74.9-36.2175.8-70.9-24.9000112E725 E727 E731 R732 E733E725-D729 PolarHBondContact O-N 2.88Å; E727-D729 VanDerWaalsContact C-N 3.34Å; E727-D729 PolarHBondContact O-N 3.04Å; D729-E731 VanDerWaalsContact C-N 3.33Å; D729-E731 PolarHBondContact O-N 3.14Å; D729-R732 WeakPolarHBondContact O-CB 3.21Å; D729-R732 PolarHBondContact O-N 3.38Å; D729-R732 VanDerWaalsContact O-N 3.12Å; D729-E733 PolarHBondContact O-N 3.11Å
730R41.4Very low35.2Very low147 Ų147143.4 Ų143.456%0.55565%0.647SS**Hα-helixtrans-68.8-32.7173.9-66.3-175.2174.5108.7-11.8112.6R726 E727 R732 R734R726-R730 PolarHBondContact O-NH1 3.03Å; E727-R730 PolarHBondContact O-N 3.25Å; R730-R732 PolarHBondContact O-N 2.77Å; R730-R734 WeakPolarHBondContact O-CB 3.21Å; R730-R734 PolarHBondContact O-N 2.75Å
731E37.1Very low35.1Very low93 Ų93146.5 Ų146.544%0.43565%0.652SS.*Hα-helixtrans-76.5-8.6174.2-172.355.2-159.400112.7E727 D729 R735E727-E731 WeakPolarHBondContact O-CB 3.28Å; E727-E731 PolarHBondContact O-N 2.76Å; D729-E731 VanDerWaalsContact C-N 3.33Å; D729-E731 PolarHBondContact O-N 3.14Å; E731-R735 VanDerWaalsContact CD-NH1 3.31Å; E731-R735 PolarHBondContact O-NH1 3.25Å; E731-R735 IonicContact OE1-CZ 2.66Å; E731-R735 IonicContact OE1-NH1 2.67Å; E731-R735 PolarHBondContact OE1-NH1 2.82Å; E731-R735 IonicContact OE1-NH2 3.83Å; E731-R735 PolarHBondContact OE1-NH2 2.69Å
732R39.3Very low34.9Very low170 Ų170147.5 Ų147.564%0.64266%0.658SS**Hα-helixtrans-93.5-48.4171.5-169.6173.6-69.7-84.3-0.3111.8R728 D729 R730 R734 R735 D736R728-R732 PolarHBondContact O-N 3.06Å; D729-R732 WeakPolarHBondContact O-CB 3.21Å; D729-R732 PolarHBondContact O-N 3.38Å; D729-R732 VanDerWaalsContact O-N 3.12Å; R730-R732 PolarHBondContact O-N 2.77Å; R732-R734 PolarHBondContact O-N 3.11Å; R732-R734 VanDerWaalsContact O-N 3.17Å; R732-R735 PolarHBondContact O-N 3.11Å; R732-D736 PolarHBondContact O-N 3.37Å
733E35.6Very low34.5Very low147 Ų147146 Ų14669%0.68766%0.658SS**Hα-helixtrans-59-27.2172.6-71.6-174.4132.400112.7D729D729-E733 PolarHBondContact O-N 3.11Å
734R36.7Very low34.4Very low201 Ų201151.8 Ų151.876%0.75867%0.674SS**THydrogen-bonded Turntrans-76.5-10.5172.6-84.9-174.6166.7159.9-0.7116R730 R732R730-R734 WeakPolarHBondContact O-CB 3.21Å; R730-R734 PolarHBondContact O-N 2.75Å; R732-R734 PolarHBondContact O-N 3.11Å; R732-R734 VanDerWaalsContact O-N 3.17Å
735R36.2Very low34.1Very low155 Ų155153.1 Ų153.159%0.58570%0.695SS**THydrogen-bonded Turntrans-90.6-36.8172.1-79-175.3172.268.58.8112.3E731 R732 L737 M738E731-R735 VanDerWaalsContact CD-NH1 3.31Å; E731-R735 PolarHBondContact O-NH1 3.25Å; E731-R735 IonicContact OE1-CZ 2.66Å; E731-R735 IonicContact OE1-NH1 2.67Å; E731-R735 PolarHBondContact OE1-NH1 2.82Å; E731-R735 IonicContact OE1-NH2 3.83Å; E731-R735 PolarHBondContact OE1-NH2 2.69Å; R732-R735 PolarHBondContact O-N 3.11Å; R735-L737 PolarHBondContact O-N 3.46Å; R735-M738 PolarHBondContact O-N 2.82Å
736D36.1Very low33.8Very low124 Ų124160.4 Ų160.466%0.66372%0.718SS**THydrogen-bonded Turntrans-76.212.5-176.7-60.3-21.4000113.9R732R732-D736 PolarHBondContact O-N 3.37Å
737L30.5Very low33.1Very low155 Ų155156.7 Ų156.781%0.81272%0.721SS**THydrogen-bonded Turntrans-126.28.5175.7-83.7169.3000114.3R735R735-L737 PolarHBondContact O-N 3.46Å
738M28.3Very low32.6Very low181 Ų181158.7 Ų158.789%0.89273%0.73SS**THydrogen-bonded Turntrans-126.76.6173.7-108.6-178.9179.800116.1R735R735-M738 PolarHBondContact O-N 2.82Å
739E27.2Very low32Very low174 Ų174157.1 Ų157.181%0.81374%0.739SS**SBendtrans-130.3131.9152.8-68.2178.7131.600105.7
740E27.6Very low31.5Very low175 Ų175160.3 Ų160.382%0.81875%0.75SS**  cis-150.9119.311.4179.7-166.7168.700110.4
741R27.1Very low30.9Very low240 Ų240163.5 Ų163.591%0.90676%0.763SS**  trans-147.990.7160.3-89.3-157.7175.7-157.20.7111.9
742H29.3Very low30.8Very low180 Ų180165.2 Ų165.283%0.83378%0.783SS**  trans171.6117.1142.4-89.2-57.8000107.6
743S31.2Very low30.2Very low87 Ų87166.9 Ų166.961%0.60879%0.79SS**  cis-159.6145.47.5-70.90000114.5
744R28.3Very low29.9Very low249 Ų249168.4 Ų168.494%0.9480%0.797SS**  trans45.2131136.7-60.3175.8173.7178.8-2.7121.7
745G30.1Very low29.6Very low74 Ų74162.1 Ų162.176%0.76380%0.795SS**  trans125.878.415200000114.9
746R29.1Very low29.4Very low253 Ų253163.3 Ų163.396%0.95581%0.808SS**  76.4131.880.9-159.2-175.5-153-123.56.9114.4
747S28.2Very low29.3Very low109 Ų109162.6 Ų162.676%0.76281%0.808SS**  trans93.291.4162.2-1530000121
748H27.1Very low29.3Very low180 Ų180163.9 Ų163.983%0.83381%0.809SS**  50.3110.2123.8-11681.8000123.3
749S27.1Very low29.5Very low96 Ų96162.3 Ų162.367%0.67181%0.805SS**  trans63.5123.6131.9-152.70000123.5
750H28.9Very low29.8Very low177 Ų177158.1 Ų158.182%0.81980%0.795SS**  trans54.9116.2151.7-99.7-74.9000121.7
751Y27.2Very low30.1Very low213 Ų213155.4 Ų155.484%0.83579%0.79SS**  trans-55.1152.1161.3-67.4-84.4000113.3
752P35.8Very low30.1Very low129 Ų129155.6 Ų155.684%0.83879%0.79SS**  -117.3-177.295.336.2-35.5000114.2
753Y27.4Very low30.2Very low206 Ų206150.7 Ų150.781%0.80879%0.789SS**  trans-118.6130.1-166.5159.7-86.7000111.7
754E29.6Very low30.1Very low178 Ų178151.5 Ų151.583%0.83280%0.801SS**  trans178.1161.1137.5-105.3178-163.300111.3
755G29Very low30.1Very low69 Ų69144 Ų14471%0.71179%0.792SS**  trans101.379.9147.800000121.2
756E32.7Very low30.1Very low181 Ų181148.7 Ų148.785%0.84679%0.794SS**  58115.8127.8-62.8177.4-166.200123.8
757T33.5Very low30.1Very low109 Ų109143.7 Ų143.767%0.66978%0.781SS**  trans69.5116.8134.157.50000124.6
758E31.3Very low30.1Very low181 Ų181144.9 Ų144.985%0.84678%0.775SS**  73.3106123.1-64.8175.8-144.200122.8
759D32.6Very low30.2Very low149 Ų149140.3 Ų140.380%0.79776%0.76SS**  137.7136.3102.6-154.523.5000119
760S33.4Very low30.5Very low86 Ų86140.1 Ų140.160%0.60175%0.747SS**  trans43.3119.4147.9-74.20000127.4
761V33.5Very low30.8Very low118 Ų118134.7 Ų134.772%0.71573%0.728SS**  78.9100.6117.2179.80000121.5
762R26.8Very low31.1Very low243 Ų243132.1 Ų132.192%0.91773%0.729SS**  61.9115.3122.1-167-164.3-59.3-149.30.3121.2
763G30.8Very low31.1Very low78 Ų78135.3 Ų135.380%0.80472%0.724SS**  trans-174.4153.8157.700000112.2
764A29Very low31.5Very low103 Ų103130.9 Ų130.985%0.85171%0.711SS**  trans-157.8147.7-177.200000116.1
765A28.4Very low31.9Very low93 Ų93127.6 Ų127.677%0.76970%0.703SS**  trans64.7127.115200000122.5
766H29.9Very low32.1Very low172 Ų172130.2 Ų130.280%0.79670%0.696SS**  trans-171122.2139.3-99.2-73.7000107.2
767H30Very low32.1Very low148 Ų148128.6 Ų128.669%0.68569%0.688SS**  70148.493.2-95.6-87.5000116.4
768E27.3Very low31.9Very low134 Ų134129.3 Ų129.363%0.62668%0.682SS**  cis172.5163.5-30.2-153.4175.5-129.300110.4
769T30.9Very low31.7Very low84 Ų84127.7 Ų127.752%0.51567%0.668SS.*  trans65.8158.6162.173.40000121D2188T769-D2188 WeakPolarHBondContact CA-OD2 3.47Å
770K33Very low31.6Very low91 Ų91126.1 Ų126.140%0.39666%0.66SS.*  cis-155.4115.8-37.4-104.2-160.6176.8-178.10111.1G2187 D2188 D2190 E2191K770-G2187 WeakPolarHBondContact CA-O 3.47Å; K770-D2188 WeakPolarHBondContact CE-OD1 3.14Å; K770-D2188 VanDerWaalsContact CE-OD2 3.23Å; K770-D2188 WeakPolarHBondContact CE-OD2 3.28Å; K770-D2188 HydrophobicContact CG-CB 3.77Å; K770-D2188 WeakPolarHBondContact CG-OD2 3.43Å; K770-D2188 IonicContact NZ-OD1 3.62Å; K770-D2190 PolarHBondContact NZ-O 2.95Å; K770-E2191 IonicContact NZ-OE1 2.62Å
771S34.2Very low31.2Very low63 Ų63130.1 Ų130.144%0.44167%0.669SS.*  84.7154.812484.40000125.8G2187 D2188S771-G2187 PolarHBondContact N-O 2.94Å; S771-D2188 WeakPolarHBondContact CA-O 3.36Å; S771-D2188 WeakPolarHBondContact CB-O 3.33Å; S771-D2188 PolarHBondContact N-O 2.81Å
772L34.6Very low31Very low160 Ų160131.4 Ų131.484%0.83867%0.671SS**  109.1142.4126.9-98.7173.9000122.3
773R35.8Very low31Very low196 Ų196125.3 Ų125.374%0.7467%0.666SS**  trans108.5124.7142.2-153.6160.1-168.8174.39.9115.8
774E35.5Very low30.7Very low113 Ų113126 Ų12653%0.52866%0.664SS.*  cis-143.5173.6-0-137.7142.8-159.800107.2H776E774-H776 VanDerWaalsContact CG-CE1 3.5Å; E774-H776 WeakPolarHBondContact CG-CE1 3.28Å; E774-H776 IonicContact OE1-CE1 2.67Å; E774-H776 PolarHBondContact OE1-CE1 3.07Å; E774-H776 IonicContact OE1-NE2 2.81Å
775T36.8Very low30.7Very low109 Ų109132.7 Ų132.767%0.66967%0.667SS**  cis-127.2-117.127.4630000115.9H777T775-H777 PolarHBondContact O-CE1 2.82Å
776H34.4Very low30.6Very low123 Ų123133.3 Ų133.357%0.56967%0.666SS**  trans-155.4158.1-141.4-52.9-51000113.4E774E774-H776 VanDerWaalsContact CG-CE1 3.5Å; E774-H776 WeakPolarHBondContact CG-CE1 3.28Å; E774-H776 IonicContact OE1-CE1 2.67Å; E774-H776 PolarHBondContact OE1-CE1 3.07Å; E774-H776 IonicContact OE1-NE2 2.81Å
777H32.6Very low30.8Very low147 Ų147135.7 Ų135.768%0.68167%0.668SS**  cis-165.3136.2-31.8-94.7-18.3000106T775T775-H777 PolarHBondContact O-CE1 2.82Å
778K28.9Very low30.9Very low124 Ų124139.5 Ų139.554%0.53968%0.676SS.*  78.2121.569.4-104.6-169.9172.7176.10115.9E2191K778-E2191 VanDerWaalsContact CE-O 3.28Å; K778-E2191 WeakPolarHBondContact CE-O 3.48Å; K778-E2191 PolarHBondContact NZ-O 3.44Å
779R28.2Very low31Very low148 Ų148139.3 Ų139.356%0.55868%0.675SS**  trans89.5154142.1-69.8179179.71800.2121.2E2191R779-E2191 PolarHBondContact NH2-O 2.92Å
780N29.3Very low30.9Very low116 Ų116140.9 Ų140.962%0.6268%0.677SS**  trans-100.7158.9-167.4-46.2-75.3000111.7L2193N780-L2193 WeakPolarHBondContact ND2-CD2 3.29Å
781H25.6Very low30.6Very low170 Ų170143.6 Ų143.679%0.78770%0.696SS**  trans-165.3167.7132.3-128-96.3000114.2
782D29.9Very low30.8Very low144 Ų144145.2 Ų145.277%0.7771%0.705SS**  trans77.5155.9155.4-69.7-18.1000122.3
783S25.7Very low30.5Very low116 Ų116147 Ų14781%0.81171%0.706SS**  trans-128.8169.8-164.4-75.80000112.9
784A24.9Very low30.1Very low91 Ų91144.2 Ų144.275%0.75271%0.71SS**  trans71.6101.5150.200000120
785R29.4Very low29.8Very low244 Ų244147.2 Ų147.292%0.92172%0.724SS**  -164.5108.4114.3-101.7161.3-179.5-165.31109.3
786S25.9Very low29.3Very low107 Ų107152.1 Ų152.175%0.74873%0.73SS**  77109.271.6-176.10000114.5
787R32.9Very low29.2Very low222 Ų222153.3 Ų153.384%0.83874%0.736SS**  175.9122.5129.7-96.1161-176.4-169.22.4113.4
788R32.2Very low29Very low227 Ų227156 Ų15686%0.85774%0.74SS**  trans67.1147.3146.4-66.2-178.1177.7-165.7-2119
789H29.8Very low29Very low131 Ų131153.3 Ų153.361%0.60673%0.73SS**  cis-165141.5-23.7-137.1-114.2000110.1
790Q28.3Very low29.2Very low116 Ų116154.2 Ų154.254%0.54273%0.733SS.*  trans37.8114.5152.2-71.5167.4-20.100122.9T693T693-Q790 PolarHBondContact O-NE2 2.84Å
791D26.7Very low29.5Very low149 Ų149154.4 Ų154.480%0.79773%0.734SS**  42.815990.9-81.9-20.1000121.9
792P40.2Very low29.7Very low97 Ų97150.1 Ų150.163%0.6371%0.711SS**  cis-150.8172.2-23.239.9-20.8000118.6
793K27.9Very low29.7Very low198 Ų198145.1 Ų145.186%0.86168%0.683SS**  trans77.3148.3134.9-89172.3179.6176.70124.7
794V27.7Very low30.1Very low136 Ų136148.6 Ų148.682%0.82468%0.678SS**  trans7384.9163.9-155.20000119.7
795E27.8Very low30.3Very low177 Ų177151.1 Ų151.183%0.82768%0.679SS**  trans-167.495.4135.2-167.977.3-99.400107.9
796R26.9Very low30.1Very low212 Ų212148.1 Ų148.180%0.867%0.668SS**  trans-155.540.6-176.3-144.3-171.3-158.5-167.56.7117.8
797E31.3Very low30.4Very low147 Ų147147.8 Ų147.869%0.68766%0.661SS**SBendtrans-120.3-32170.8-148.499.4-113.700113.6E799 R800E797-E799 VanDerWaalsContact C-N 3.34Å; E797-E799 PolarHBondContact O-N 2.69Å; E797-R800 IonicContact OE1-NH2 3.51Å; E797-R800 PolarHBondContact OE1-NH2 3.2Å
798R29.5Very low30.2Very low205 Ų205148.8 Ų148.877%0.77467%0.665SS**THydrogen-bonded Turntrans-90.129.9-179.8-74.4-173.9163.3122.7-3.9115.2
799E28.3Very low29.9Very low67 Ų67146.4 Ų146.431%0.31366%0.657SS.*THydrogen-bonded Turntrans-111.8-18.3-175.7-134-174.8-150.900117.1E797 D801 R866 H867 R868E797-E799 VanDerWaalsContact C-N 3.34Å; E797-E799 PolarHBondContact O-N 2.69Å; E799-D801 PolarHBondContact O-N 3.34Å; E799-R866 IonicContact OE2-NH1 3.38Å; E799-H867 IonicContact OE1-CD2 3.38Å; E799-H867 PolarHBondContact OE1-CD2 3.21Å; E799-H867 VanDerWaalsContact OE1-CD2 3.27Å; E799-R868 VanDerWaalsContact CG-CZ 3.43Å; E799-R868 PolarHBondContact O-NH2 3.19Å; E799-R868 VanDerWaalsContact O-NH2 3.11Å; E799-R868 IonicContact OE1-CZ 2.69Å; E799-R868 IonicContact OE1-NE 3.37Å; E799-R868 IonicContact OE1-NH1 2.64Å
800R33.9Very low29.6Very low166 Ų166148.7 Ų148.763%0.62666%0.66SS**G310 helixtrans-64.5-35.9-170.7-77.4-178.6-95.5-135.8-4.2114.1E797 R802E797-R800 IonicContact OE1-NH2 3.51Å; E797-R800 PolarHBondContact OE1-NH2 3.2Å; R800-R802 PolarHBondContact O-N 3.18Å
801D34.1Very low29.6Very low121 Ų121151.9 Ų151.965%0.64767%0.667SS**G310 helixtrans-105.336.4-166.1-51.1-70.3000114.8E799 R804E799-D801 PolarHBondContact O-N 3.34Å; D801-R804 IonicContact OD1-NH2 3.6Å
802R29.5Very low29.5Very low80 Ų80150 Ų15030%0.30267%0.666SS.*G310 helixtrans-140.732.9157.7-58.9-173.4-17632.2-13.5111.9R800 H867 K1332 V1334R800-R802 PolarHBondContact O-N 3.18Å; R802-H867 PolarHBondContact O-NE2 3.39Å; R802-H867 VanDerWaalsContact O-NE2 3.11Å; R802-K1332 PolarHBondContact NH2-O 3.26Å; R802-V1334 VanDerWaalsContact NH2-CG2 3.32Å
803E30.4Very low28.8Very low39 Ų39150.7 Ų150.718%0.18266%0.664CS.*SBendtrans-108.7-30-178.8-166.571.3-161.900113.5T807 R866 H867E803-T807 PolarHBondContact O-OG1 3.1Å; E803-R866 IonicContact OE1-CZ 3.05Å; E803-R866 VanDerWaalsContact OE1-CZ 3.24Å; E803-R866 IonicContact OE1-NE 3.81Å; E803-R866 PolarHBondContact OE1-NE 3.42Å; E803-R866 IonicContact OE1-NH2 3.64Å; E803-R866 PolarHBondContact OE1-NH2 3.36Å; E803-R866 IonicContact OE2-CZ 2.87Å; E803-R866 IonicContact OE2-NE 3.9Å; E803-R866 PolarHBondContact OE2-NE 3.42Å; E803-R866 VanDerWaalsContact OE2-NE 3.11Å; E803-R866 IonicContact OE2-NH1 3.89Å; E803-R866 IonicContact OE2-NH2 3.27Å; E803-R866 PolarHBondContact OE2-NH2 2.86Å; E803-H867 IonicContact OE2-CD2 3.13Å; E803-H867 IonicContact OE2-NE2 3.67Å; E803-H867 PolarHBondContact OE2-NE2 2.94Å
804R34.9Very low28.8Very low188 Ų188149.1 Ų149.171%0.70966%0.657SS**G310 helixtrans-61.4-49.5-173.3-105.4176.9-86.8-129.80.9112.7D801 R806 T807D801-R804 IonicContact OD1-NH2 3.6Å; R804-R806 PolarHBondContact O-N 3.27Å; R804-T807 PolarHBondContact O-OG1 3.26Å
805D28.2Very low28.7Very low144 Ų144151.2 Ų151.277%0.7765%0.651SS**G310 helixtrans-88.11.3-161.6-44.8-63.4000115.4
806R25.9Very low28.6Very low181 Ų181152.1 Ų152.168%0.68366%0.655SS**G310 helixtrans-99.6-0.3175.1-73.4-177.6169.6139.7-1.3114R804R804-R806 PolarHBondContact O-N 3.27Å
807T31.8Very low28.5Very low100 Ų100148 Ų14861%0.61366%0.659SS**SBendtrans-86.7-17.2-173.6-24.60000113.9E803 R804E803-T807 PolarHBondContact O-OG1 3.1Å; R804-T807 PolarHBondContact O-OG1 3.26Å
808W29.1Very low28.4Very low243 Ų243144.7 Ų144.792%0.9266%0.664SS**SBendtrans-86.6-17.2-171.7-93.699.3000116.6
809R24.8Very low28.4Very low178 Ų178138.4 Ų138.467%0.67266%0.663SS**SBendtrans-110.53.8-173.6-77.8-162.5-179.9-128-1.6117E1317R809-E1317 IonicContact CZ-OE1 3.38Å; R809-E1317 VanDerWaalsContact CZ-OE1 3.28Å; R809-E1317 IonicContact NH1-OE1 2.66Å; R809-E1317 PolarHBondContact NH1-OE1 2.87Å; R809-E1317 IonicContact NH2-OE1 3.29Å; R809-E1317 PolarHBondContact NH2-OE1 2.86Å
810R24.6Very low28.4Very low179 Ų179144.6 Ų144.668%0.67569%0.692SS**SBendtrans-143.965.9177.2-71.4-162.4-176.3-175.110.1116.3E1323R810-E1323 IonicContact CZ-OE2 3.22Å; R810-E1323 IonicContact NE-OE2 3.24Å; R810-E1323 IonicContact NH2-OE1 3.98Å; R810-E1323 PolarHBondContact NH2-OE1 3.46Å; R810-E1323 IonicContact NH2-OE2 3.78Å; R810-E1323 PolarHBondContact NH2-OE2 2.88Å
811R27.5Very low28.8Very low182 Ų182144.4 Ų144.469%0.68770%0.704SS**  trans-170.198.9140.1-114.4174.9-178.9156.9-2.5114.3K863 T864R811-K863 PolarHBondContact NH1-O 3.26Å; R811-K863 PolarHBondContact NH2-O 2.92Å; R811-T864 VanDerWaalsContact NH1-CG2 3.32Å
812S25.2Very low29Very low111 Ų111144.1 Ų144.178%0.77671%0.708SS**  trans-134.4145.2143.4-173.40000107.7
813N25.3Very low29.1Very low111 Ų111145.9 Ų145.959%0.59472%0.724SS**  trans95.6145-173.3-62.413.9000116.2E2224N813-E2224 PolarHBondContact ND2-OE1 2.77Å
814K27.8Very low29.1Very low164 Ų164154.8 Ų154.871%0.71376%0.756SS**  trans69.5115.4-168.7-64-171.7171.6-154.90114.5
815Y26.6Very low28.8Very low181 Ų181150 Ų15071%0.7175%0.751SS**  cis-152.1161.9-2-79.1-74.5000109.6
816H25.7Very low28.8Very low195 Ų195153 Ų15390%0.90375%0.753SS**  -164.3148.3121-95.188.5000108.5
817S24.6Very low28.9Very low126 Ų126149.7 Ų149.788%0.88175%0.749SS**  trans-162.1143.2174-171.40000110
818G29.6Very low28.6Very low77 Ų77151.8 Ų151.879%0.79475%0.751SS**  trans73.4143.5-17000000113
819G29.3Very low28.5Very low73 Ų73143.9 Ų143.975%0.75373%0.733SS**  cis137.1144.96.300000109.2
820E28.4Very low28.7Very low197 Ų197145.2 Ų145.292%0.92174%0.738SS**  cis-150.8163.90.6-59.1-175.5127.400110
821D41.6Very low28.7Very low163 Ų163145.1 Ų145.187%0.87274%0.738SS**  trans-100166172.1-72-57.5000111.8
822P38.7Very low28.8Very low115 Ų115145.9 Ų145.975%0.74774%0.742SS**  trans-136.1146.813937.1-25.7000116.4
823D31.4Very low28.8Very low117 Ų117144.6 Ų144.663%0.62673%0.727SS**  trans64.7110163.3-67.8-41000119
824R31.2Very low28.7Very low226 Ų226145 Ų14585%0.85373%0.729SS**  78.813768.1-76.4-172.4-171113.2-5.4112.4
825S26.9Very low28.5Very low86 Ų86141.1 Ų141.160%0.60172%0.722SS**  cis-162.2158.718.7560000115.1
826Y28.7Very low28.6Very low208 Ų208139.3 Ų139.382%0.81673%0.725SS**  trans68.7140.2155.6-64.3-62.4000119.3
827D27.1Very low28.6Very low111 Ų111139 Ų13959%0.59472%0.717SS**  cis-166.8163-27.7-145.2-2.1000115.2
828H26.6Very low28.7Very low144 Ų144141 Ų14167%0.66771%0.712SS**  trans48.7138.5138.5-90.739.7000122.3
829S26.5Very low28.6Very low78 Ų78140.7 Ų140.755%0.54571%0.709SS.*  cis-176.2170.81.5-142.10000114.5
830R29.6Very low28.4Very low206 Ų206145.8 Ų145.878%0.77771%0.714SS**  trans81.397.8151-67.5151-160.6-138.9-0.8121.2
831R24.3Very low28.3Very low177 Ų177141.6 Ų141.667%0.66871%0.706SS**  trans-75.5148.9133-71-180171.8-175-0.5110.6Y2217R831-Y2217 PolarHBondContact NH2-OH 3Å
832Y29Very low27.9Very low197 Ų197140.7 Ų140.777%0.77370%0.701SS**  trans-158.9142.5152.2-102.7-97.1000106.9
833N25.8Very low27.4Very low85 Ų85141.7 Ų141.746%0.45570%0.7SS.*  cis-166.4164.5-20.2-165-1.8000109S835 N2159N833-S835 PolarHBondContact OD1-N 3.49Å; N833-S835 VanDerWaalsContact OD1-N 3.11Å; N833-N2159 PolarHBondContact O-ND2 3.25Å
834N22.3Very low27.9Very low120 Ų120140.9 Ų140.964%0.64270%0.701SS**  trans-16669.3141.6-109.3-5.1000111.9
835S24.6Very low27.7Very low82 Ų82137.8 Ų137.857%0.57370%0.697SS**  trans-113.6120150.457.40000107.9N833N833-S835 PolarHBondContact OD1-N 3.49Å; N833-S835 VanDerWaalsContact OD1-N 3.11Å
836N28.6Very low27.8Very low143 Ų143142.5 Ų142.577%0.76570%0.702SS**  trans-132.778.6-178.3-165.867000111.4
837Y26.7Very low28Very low188 Ų188139.3 Ų139.374%0.73770%0.699SS**SBend-154.3122.9129.2-128.8-101.3000110.2
838E25.6Very low28.1Very low168 Ų168142.8 Ų142.879%0.78571%0.712SS**  trans45.3141.7154.7-63.1178.1154.700121.8
839G28.1Very low28.3Very low71 Ų71144.1 Ų144.173%0.73272%0.72SS**  trans159.1-11.4159.200000119.1S841G839-S841 PolarHBondContact O-N 3.09Å
840E25.1Very low28.4Very low180 Ų180143 Ų14384%0.84172%0.722SS**  trans-79.1112.8-173.5-162.3160.8-138.400112.2
841S26.6Very low28.4Very low108 Ų108141.1 Ų141.176%0.75573%0.727SS**  trans-136.8119.4171.162.70000109.9G839 N843G839-S841 PolarHBondContact O-N 3.09Å; S841-N843 PolarHBondContact O-N 3.41Å; S841-N843 VanDerWaalsContact O-N 3.15Å
842D31.8Very low28.9Very low144 Ų144137.2 Ų137.277%0.7773%0.733SS**  trans-71.3105.9-171.4-89.9-57.5000114.2
843N28.3Very low28.9Very low137 Ų137136 Ų13673%0.73373%0.734SS**  69.8174.5114.4-118-11.6000118.6S841S841-N843 PolarHBondContact O-N 3.41Å; S841-N843 VanDerWaalsContact O-N 3.15Å
844P43.1Very low29.1Very low99 Ų99139 Ų13964%0.64375%0.749SS**  -130.6-171.1-114.744.1-27000114.7
845E27.3Very low29.4Very low162 Ų162141.3 Ų141.376%0.75776%0.761SS**  178.2150.8118.1-95.3-158.312600114.6
846Y29Very low29.6Very low185 Ų185140.2 Ų140.273%0.72576%0.764SS**  trans14.5132.1158.8-74.8-88.2000122.6
847N31.9Very low29.6Very low140 Ų140139.6 Ų139.675%0.74977%0.77SS**  -177.411794-98.6-69000114.7
848H28.6Very low29.6Very low185 Ų185134.6 Ų134.686%0.85678%0.776SS**  -156.9142.7129.6-123.858.5000113.4
849M32Very low29.7Very low171 Ų171130.2 Ų130.284%0.84278%0.776SS**  trans-85.5166.2157.6-64.8168.8173.600108
850G29Very low29.6Very low56 Ų56138.9 Ų138.958%0.57779%0.786SS**  cis151.2126.8-1.700000111.2
851D29.6Very low29.8Very low165 Ų165135.3 Ų135.388%0.88278%0.781SS**  trans86157.8141.6-42.6-23.5000121.8
852A33.4Very low30Very low96 Ų96134.7 Ų134.779%0.79378%0.777SS**  trans67.398.9-177.100000115.9
853E28.8Very low29.7Very low171 Ų171136.1 Ų136.180%0.79978%0.776SS**  cis74108.221.7-154.9-160.7-179.400116.4
854L30.6Very low29.9Very low149 Ų149134.5 Ų134.578%0.7877%0.772SS**  172.1152.7122.5-96.4168.4000114.1
855D28.9Very low29.3Very low167 Ų167133.8 Ų133.889%0.89377%0.769SS**  trans63.2141.6163.4-104.4-26.3000120.9
856G28.6Very low29.5Very low60 Ų60132.8 Ų132.862%0.61976%0.759SS**  trans135.143.915000000123.6
857S28.1Very low29.6Very low130 Ų130127.2 Ų127.291%0.90974%0.739SS**  trans66.9158.9149.478.80000122.1
858G27.9Very low29.5Very low83 Ų83123 Ų12386%0.85671%0.713SS**  trans96.4133.2154.700000116.6
859G26.7Very low29.7Very low76 Ų76117.4 Ų117.478%0.78468%0.684SS**  trans-141.3166.6-178.200000115.6
860R27.2Very low29.6Very low252 Ų252112.1 Ų112.195%0.95166%0.664SS**  trans64.5107.4162.1-67.7-172173.7-157.1-1.7120.1
861S27.6Very low29.8Very low105 Ų105113.7 Ų113.773%0.73467%0.671SS**  93.9110.8112.4-155.50000123
862S30.9Very low30Very low95 Ų95110 Ų11066%0.66466%0.664SS**  86.6166.313080.70000123.9
863K25.8Very low30Very low174 Ų174114.5 Ų114.576%0.75767%0.668SS**  trans77.9168.2162.1-67.6179.2-179-178.40119.7R811R811-K863 PolarHBondContact NH1-O 3.26Å; R811-K863 PolarHBondContact NH2-O 2.92Å
864T32Very low30.2Very low103 Ų103116.1 Ų116.163%0.63268%0.676SS**  trans-140.2157.9-133.834.70000115.4R811R811-T864 VanDerWaalsContact NH1-CG2 3.32Å
865S32Very low30.4Very low85 Ų85116 Ų11659%0.59468%0.676SS**  trans57.6138.8150.9-1620000121.6
866R30.2Very low30.3Very low141 Ų141116.1 Ų116.153%0.53267%0.669SS.*  162.9133.1112.1-88.5-178.4-172.1-1613.4117.2E799 E803E799-R866 IonicContact OE2-NH1 3.38Å; E803-R866 IonicContact OE1-CZ 3.05Å; E803-R866 VanDerWaalsContact OE1-CZ 3.24Å; E803-R866 IonicContact OE1-NE 3.81Å; E803-R866 PolarHBondContact OE1-NE 3.42Å; E803-R866 IonicContact OE1-NH2 3.64Å; E803-R866 PolarHBondContact OE1-NH2 3.36Å; E803-R866 IonicContact OE2-CZ 2.87Å; E803-R866 IonicContact OE2-NE 3.9Å; E803-R866 PolarHBondContact OE2-NE 3.42Å; E803-R866 VanDerWaalsContact OE2-NE 3.11Å; E803-R866 IonicContact OE2-NH1 3.89Å; E803-R866 IonicContact OE2-NH2 3.27Å; E803-R866 PolarHBondContact OE2-NH2 2.86Å
867H31.8Very low30.4Very low68 Ų68119.9 Ų119.932%0.31568%0.675SS.*  68.4164.4129.5-68-0.1000122.5E799 R802 E803E799-H867 IonicContact OE1-CD2 3.38Å; E799-H867 PolarHBondContact OE1-CD2 3.21Å; E799-H867 VanDerWaalsContact OE1-CD2 3.27Å; R802-H867 PolarHBondContact O-NE2 3.39Å; R802-H867 VanDerWaalsContact O-NE2 3.11Å; E803-H867 IonicContact OE2-CD2 3.13Å; E803-H867 IonicContact OE2-NE2 3.67Å; E803-H867 PolarHBondContact OE2-NE2 2.94Å
868R30.5Very low30.5Very low52 Ų52119.8 Ų119.820%0.19666%0.664CS.*  cis-170.1159.6-18.4-106.8175.8-167.1-161.918.3112.7E799E799-R868 VanDerWaalsContact CG-CZ 3.43Å; E799-R868 PolarHBondContact O-NH2 3.19Å; E799-R868 VanDerWaalsContact O-NH2 3.11Å; E799-R868 IonicContact OE1-CZ 2.69Å; E799-R868 IonicContact OE1-NE 3.37Å; E799-R868 IonicContact OE1-NH1 2.64Å
869R31.8Very low30.7Very low67 Ų67125.1 Ų125.125%0.25366%0.66SS.*  trans67.3160.3139-70.4177.4-177-138.715.8124.5P1329 D1331R869-P1329 CarbonylContact C-O 3.08Å; R869-D1331 HydrophobicContact CB-CB 3.75Å; R869-D1331 WeakPolarHBondContact CD-OD1 3.48Å; R869-D1331 WeakPolarHBondContact CD-OD2 3.3Å; R869-D1331 HydrophobicContact CG-CB 3.58Å; R869-D1331 IonicContact CZ-OD1 3.88Å; R869-D1331 IonicContact CZ-OD2 3.88Å; R869-D1331 IonicContact NE-OD1 2.88Å; R869-D1331 PolarHBondContact NE-OD1 2.82Å; R869-D1331 IonicContact NE-OD2 3.43Å; R869-D1331 IonicContact NH1-OD1 3.91Å; R869-D1331 PolarHBondContact NH1-OD1 3.25Å; R869-D1331 IonicContact NH1-OD2 3.94Å; R869-D1331 PolarHBondContact NH1-OD2 2.99Å
870S31.2Very low30.8Very low60 Ų60130.1 Ų130.142%0.4266%0.663SS.*  trans-73.7-169.2-171.5-86.10000115.4A1330 D1331S870-A1330 VanDerWaalsContact OG-C 3.27Å; S870-A1330 WeakPolarHBondContact OG-CA 3.26Å; S870-A1330 WeakPolarHBondContact OG-CB 3.39Å; S870-D1331 PolarHBondContact OG-N 3.04Å; S870-D1331 PolarHBondContact OG-O 3.32Å
871A32.2Very low30.9Very low88 Ų88127.8 Ų127.873%0.72765%0.654SS**  cis-161.616820.600000117.4
872A33.2Very low31.1Very low89 Ų89127.8 Ų127.874%0.73664%0.643SS**  trans69.3131146.300000120.2
873E34.4Very low30.9Very low189 Ų189132.7 Ų132.788%0.88365%0.646SS**  trans21.4117137-62.5170.4-173.500119.3
874E33.2Very low31.1Very low206 Ų206132 Ų13296%0.96365%0.651SS**  -145.3161.1114.3-112.5172.6-157.900108.6
875D34.7Very low30.9Very low147 Ų147136.9 Ų136.979%0.78666%0.658SS**  trans-112.6-176.3-163.2-163.66000112.4
876F27.3Very low30.6Very low169 Ų169136.9 Ų136.974%0.74166%0.658SS**  trans95.3130.8173.8-73.5-102000119.7
877D30.6Very low30.6Very low138 Ų138140.7 Ų140.774%0.73867%0.672SS**  trans77.483.4140.5-65.3-4.2000123.2
878D29.2Very low30.5Very low129 Ų129148.3 Ų148.369%0.6970%0.698SS**  106.9150.698.5-147.49.1000120.1
879Y32.7Very low30.4Very low195 Ų195150.7 Ų150.777%0.76572%0.723SS**  trans63.885174-80.4-72.1000120
880E27.6Very low30.6Very low181 Ų181154 Ų15485%0.84675%0.751SS**  trans-46.1158.2147.6-59.3-170.8112.300113.3
881R29.3Very low30.3Very low202 Ų202160.6 Ų160.676%0.76277%0.772SS**  -167.8142.2121.1-116.1175.8-165-98.42.5116.3
882E33.2Very low30.6Very low106 Ų106160.5 Ų160.550%0.49576%0.764SS.*  trans62.8133138.5-132.474.3-116.300118.5
883R26Very low30.4Very low197 Ų197164.7 Ų164.774%0.74377%0.768SS**  cis-174.4167.7-31.2-126.9-165.5-166.2125.9-6108R885R883-R885 PolarHBondContact O-N 2.94Å; R883-R885 VanDerWaalsContact O-N 3.14Å
884N29Very low30.2Very low159 Ų159159.8 Ų159.885%0.8576%0.755SS**  trans-70.2103.9167.7-146.7-28.9000111.9
885R28.3Very low30Very low206 Ų206154.5 Ų154.578%0.77774%0.741SS**  trans-142.4110.8160.5-74.5-173.1176.5163.61.5108.6R883R883-R885 PolarHBondContact O-N 2.94Å; R883-R885 VanDerWaalsContact O-N 3.14Å
886S26.5Very low29.7Very low86 Ų86151.9 Ų151.960%0.60174%0.739SS**  64.7108.154.6-164.40000113.3
887R29.5Very low29.7Very low221 Ų221150.6 Ų150.683%0.83474%0.735SS**  177.5121.4108.3-99137.8-161.4-129.7-3.8117.4
888R30.3Very low29.7Very low228 Ų228151.5 Ų151.586%0.8673%0.733SS**  102.3132.4108.6-172.2178.7-156.9-163.87.4120.8
889S27.3Very low29.6Very low102 Ų102150.3 Ų150.371%0.71374%0.735SS**  trans72.9146.5161.5-75.20000117
890T36.8Very low29.4Very low136 Ų136152.4 Ų152.483%0.83474%0.741SS**  cis-121.6145.315.245.40000116.1
891K26.1Very low29.4Very low198 Ų198149.5 Ų149.586%0.86174%0.741SS**  trans-83.6-177.3159.8-127-179.6-177.4179.80108.6
892P38Very low29.3Very low87 Ų87145.4 Ų145.457%0.56574%0.744SS**  cis-142.7-163.2-9.743.3-24000114.7
893Q28.9Very low29Very low177 Ų177143.6 Ų143.683%0.82775%0.753SS**  trans68.5151.4147.8-76.2177.2-87.200119.7
894S29.1Very low28.9Very low86 Ų86136.7 Ų136.760%0.60174%0.743SS**  cis-165.9170.6-13.750.20000112.5
895S29.4Very low28.6Very low95 Ų95140.7 Ų140.766%0.66475%0.746SS**  trans62.8116.9145.151.80000118.5
896A29Very low28.5Very low91 Ų91142.9 Ų142.975%0.75276%0.755SS**  74.1144.858.500000112.6
897E27.6Very low28.4Very low142 Ų142144.4 Ų144.466%0.66476%0.756SS**  cis-165.6162.418.7-144.6177.7-172.900114.4
898K29.9Very low28.2Very low158 Ų158139.5 Ų139.569%0.68774%0.738SS**  trans67.5147.7147.5-87.3154.2-165.5155.70122.4
899S26.6Very low28.1Very low104 Ų104135 Ų13573%0.72773%0.727SS**  trans86.8136.4158.6-52.90000117.4
900R29.2Very low28.1Very low238 Ų238137.3 Ų137.390%0.89873%0.731SS**  cis-156.4161.4-2.8-121.4168.1-177.1168.8-0.8111.2
901S28.6Very low27.8Very low121 Ų121135.3 Ų135.385%0.84672%0.723SS**  trans-80.3143.9175.5177.20000112.7
902S25.3Very low27.9Very low116 Ų116129.4 Ų129.481%0.81172%0.718SS**  trans169.2149.8140.9-174.60000112.3
903G27.7Very low27.6Very low68 Ų68137.5 Ų137.570%0.70174%0.737SS**  trans83.7118.913900000119
904G24.1Very low27.6Very low51 Ų51134.5 Ų134.553%0.52674%0.736SS.*  trans-84.7173164.100000113.7
905R23Very low27.7Very low244 Ų244134.5 Ų134.592%0.92174%0.741SS**  trans53.7101.9167.2-56.9-177.7-177.9-1332.9116.8
906R25.6Very low27.8Very low252 Ų252141.7 Ų141.795%0.95175%0.754SS**  -167.2159.693.8-107173.9-176.9165.62.4114.5
907N25.1Very low28.1Very low118 Ų118142 Ų14263%0.63176%0.757SS**  trans-71.2169.4170.1-140.52.7000111
908Y25.3Very low28.3Very low118 Ų118143.2 Ų143.246%0.46377%0.768SS.*  trans85.6120.3147.7-91.5-137.2000122.3H2246Y908-H2246 AromaticContact CE2-NE2 3.64Å
909E27.6Very low28.3Very low133 Ų133142.4 Ų142.462%0.62177%0.771SS**  61.3128.8128.7-63.9-176.516100121.8Q2245E909-Q2245 PolarHBondContact OE1-NE2 3.24Å
910N27.4Very low28.5Very low150 Ų150140.2 Ų140.280%0.80276%0.764SS**  -148.8147.9107.6-159.27.4000113.3
911S30.8Very low28.6Very low94 Ų94138.7 Ų138.766%0.65776%0.759SS**  trans39.1104.5151630000120.1
912G27.4Very low28.6Very low74 Ų74142 Ų14276%0.76375%0.753SS**  trans-81.3-170.9148.800000112.3
913R31.2Very low28.7Very low257 Ų257146 Ų14697%0.9775%0.75SS**  trans-146.5151.4160.2-114.4177.9-171.8-115.5-0.9111.5
914S29Very low28.6Very low115 Ų115152.4 Ų152.480%0.80476%0.755SS**  trans-103.1156.5-171.6-1780000113
915A32.5Very low28.7Very low85 Ų85157.2 Ų157.270%0.70276%0.763SS**  trans72.6157.5163.900000116.5
916R30.6Very low28.7Very low246 Ų246150.6 Ų150.693%0.92875%0.746SS**  cis-14515520.5-69.3175.5165.8132.5-2.4113.9
917A35.5Very low28.7Very low99 Ų99145.4 Ų145.482%0.81873%0.733SS**  trans146.5117.1146.400000109.1
918D31.1Very low28.6Very low167 Ų167150 Ų15089%0.89374%0.741SS**  cis118.8135.48-174.978.4000111.2
919D30.3Very low28.6Very low140 Ų140152 Ų15275%0.74976%0.76SS**  cis-158.1170-46.2-167.35.8000109.1
920G31.5Very low28.9Very low58 Ų58151.4 Ų151.460%0.59877%0.768SS**  trans95.7123.2167.700000116
921R30.5Very low28.9Very low207 Ų207148 Ų14878%0.78177%0.768SS**  cis78.2134.238.5-59.8-174.7175-163.11114.1
922R28.4Very low28.9Very low191 Ų191147.9 Ų147.972%0.72177%0.772SS**  cis-166.41454.7-123.7179.5-176.8-170.91.4113.7
923R28.8Very low28.8Very low200 Ų200152.8 Ų152.876%0.75578%0.775SS**  trans76.4144.4151.2-74.8-167.3172.5-165.8-2.5123.5
924Y24.8Very low28.6Very low202 Ų202151.3 Ų151.379%0.79277%0.771SS**  trans85.3146.8160.1-82.6-65.3000121.5
925Q25.7Very low29.1Very low152 Ų152151 Ų15171%0.7177%0.767SS**  trans81.8113.5162.1-129.469.642.300121.4
926D24.2Very low28.7Very low105 Ų105153.5 Ų153.556%0.56177%0.773SS**  trans40.2133.4138.6-72.6-61.2000126.7
927Q24.6Very low28.4Very low142 Ų142147 Ų14766%0.66477%0.765SS**  69.5128.8127-66.2172.455.700124.3
928R23Very low27.9Very low216 Ų216146.3 Ų146.382%0.81576%0.76SS**  trans48.5120.6132.3-59.3177176.9-156.90.5120.4
929N25.4Very low27.8Very low160 Ų160145.4 Ų145.486%0.85676%0.76SS**  -163.2169.6107-114.87.6000112.3
930P33.9Very low27.7Very low120 Ų120142.4 Ų142.478%0.77976%0.762SS**  trans-99.6-176.1-163.340.3-36.5000114.1
931G26.6Very low27.5Very low78 Ų78150.2 Ų150.280%0.80478%0.775SS**  trans-111.7-173.4-172.200000116.2
932A31Very low27.3Very low91 Ų91146.1 Ų146.175%0.75277%0.773SS**  trans-163.5148.5158.600000111.2
933Q25.6Very low27.4Very low177 Ų177141.8 Ų141.883%0.82777%0.77SS**  trans63.399.8154-67.5169.5-1000121.7
934Y26.8Very low27.3Very low227 Ų227141.7 Ų141.789%0.8977%0.771SS**  60.5152.6129.1-75.7-70.8000121.6
935P40.4Very low27.8Very low109 Ų109134.9 Ų134.971%0.70876%0.762SS**  -141.2156.8-12139.7-19.6000117.7
936V24.2Very low28.1Very low137 Ų137132.2 Ų132.283%0.8375%0.751SS**  trans-145.3125.7156.5-179.50000111.2
937S24.4Very low28.7Very low109 Ų109131.2 Ų131.276%0.76274%0.74SS**  trans36.8131152.8-53.20000124.3
938A25.5Very low29.3Very low85 Ų85132.1 Ų132.170%0.70274%0.744SS**  87.9125.7129.500000123.1
939T27.5Very low30.1Very low148 Ų148128.8 Ų128.891%0.90874%0.738SS**  trans70128.4147540000122
940G28.4Very low30.9Very low77 Ų77123.1 Ų123.179%0.79471%0.706SS**  trans134.390.5147.800000116.7
941Y27.3Very low31.1Very low221 Ų221121.3 Ų121.387%0.86770%0.697SS**  trans-126.9140167.3-141.3-95.5000110.7
942V26.8Very low31.8Very low121 Ų121128.1 Ų128.173%0.73370%0.698SS**  trans-114.3118-169-176.30000110.9Y944V942-Y944 PolarHBondContact O-N 2.71Å
943P29.6Very low32.6Very low100 Ų100127.5 Ų127.565%0.64968%0.682SS**THydrogen-bonded Turntrans-90.219.5-157.935.7-39.1000116.7
944Y27.8Very low33.7Very low198 Ų198121.8 Ų121.878%0.77666%0.66SS**THydrogen-bonded Turntrans-96.9-22.2-172.1-101-83.8000116.5V942V942-Y944 PolarHBondContact O-N 2.71Å
945G34.6Very low34.6Very low59 Ų59116.4 Ų116.461%0.60864%0.643SS**Hα-helixtrans-73.3-33.1-177.400000114.5Y947G945-Y947 PolarHBondContact O-N 3.4Å
946M32.5Very low35.1Very low97 Ų97114.4 Ų114.448%0.47863%0.629SS.*Hα-helixtrans-71.2-32.5-175.3-59.7-52.6-60.700112.9E948 Q949 M950M946-E948 PolarHBondContact O-N 3.48Å; M946-Q949 PolarHBondContact O-N 3.08Å; M946-M950 HydrophobicContact CB-CE 4.33Å; M946-M950 HydrophobicContact CB-SD 3.98Å; M946-M950 HydrophobicContact CE-CE 3.8Å; M946-M950 WeakPolarHBondContact O-CB 3.48Å; M946-M950 VanDerWaalsContact O-CG 3.3Å; M946-M950 WeakPolarHBondContact O-CG 3.13Å; M946-M950 PolarHBondContact O-N 3.26Å
947Y35.7Very low36.2Very low84 Ų84109.8 Ų109.833%0.32960%0.597SS.*Hα-helixtrans-59.6-45.7-173.2-130.3-85.8000112.5G945 Q949 S951 Y957 Y961 Q1038G945-Y947 PolarHBondContact O-N 3.4Å; Y947-Q949 PolarHBondContact O-N 3.07Å; Y947-S951 PolarHBondContact O-N 3.05Å; Y947-S951 VanDerWaalsContact O-N 3.09Å; Y947-Y957 HydrophobicContact CD1-CE2 4.06Å; Y947-Y957 AromaticContact CE1-CE2 3.65Å; Y947-Y957 HydrophobicContact CE1-CE2 3.65Å; Y947-Y957 AromaticContact CE1-CZ 3.98Å; Y947-Y957 WeakPolarHBondContact CE1-OH 3.24Å; Y947-Y957 HydrophobicContact CE2-CE2 4.38Å; Y947-Y957 AromaticContact CZ-CE2 3.85Å; Y947-Y957 VanDerWaalsContact CZ-OH 3.23Å; Y947-Y957 PolarHBondContact OH-OH 2.72Å; Y947-Y961 HydrophobicContact CE2-CE2 4.16Å; Y947-Y961 PolarHBondContact OH-OH 3.07Å; Y947-Q1038 PolarHBondContact OH-NE2 3.08Å; Y947-Q1038 VanDerWaalsContact OH-NE2 3.08Å
948E38.8Very low37.5Very low160 Ų160107.3 Ų107.375%0.74858%0.583SS**Hα-helixtrans-69-34.5-178.9-169.1174.3-171.800111.7M946 S951M946-E948 PolarHBondContact O-N 3.48Å; E948-S951 PolarHBondContact O-OG 3.4Å
949Q39.8Very low38.7Very low147 Ų147107.2 Ų107.269%0.68757%0.571SS**Hα-helixtrans-79.2-35.5179.5-148.6169.618.900112.4M946 Y947 S951M946-Q949 PolarHBondContact O-N 3.08Å; Y947-Q949 PolarHBondContact O-N 3.07Å; Q949-S951 VanDerWaalsContact C-N 3.33Å
950M41.9Very low39.9Very low40 Ų40102.5 Ų102.520%0.19754%0.539CS..Hα-helixtrans-71.8-23.7174.9-72.4169.2165.800113.3M946 R952 N953 Y957 M960M946-M950 HydrophobicContact CB-CE 4.33Å; M946-M950 HydrophobicContact CB-SD 3.98Å; M946-M950 HydrophobicContact CE-CE 3.8Å; M946-M950 WeakPolarHBondContact O-CB 3.48Å; M946-M950 VanDerWaalsContact O-CG 3.3Å; M946-M950 WeakPolarHBondContact O-CG 3.13Å; M946-M950 PolarHBondContact O-N 3.26Å; M950-R952 PolarHBondContact O-N 3Å; M950-N953 PolarHBondContact O-N 3.34Å; M950-Y957 HydrophobicContact CB-CD2 4.36Å; M950-M960 HydrophobicContact SD-CE 3.63Å
951S37.3Very low41Very low83 Ų83101.1 Ų101.158%0.5851%0.51SS*.THydrogen-bonded Turntrans-54.8-18.4174.775.50000114.5Y947 E948 Q949Y947-S951 PolarHBondContact O-N 3.05Å; Y947-S951 VanDerWaalsContact O-N 3.09Å; E948-S951 PolarHBondContact O-OG 3.4Å; Q949-S951 VanDerWaalsContact C-N 3.33Å
952R42.5Very low42.4Very low220 Ų22093.2 Ų93.283%0.8349%0.491SS*.THydrogen-bonded Turntrans-88.5-6.1179.2-59.6-175.1-179.6-168.2-0.9114.6M950M950-R952 PolarHBondContact O-N 3Å
953N48.1Very low43.8Very low78 Ų7893.3 Ų93.342%0.41748%0.481SS..  trans-138.597.3173.4-172.3-22.7000110.2M950 Q955 V956 Y957M950-N953 PolarHBondContact O-N 3.34Å; N953-Q955 PolarHBondContact O-N 3.48Å; N953-Q955 PolarHBondContact OD1-N 3.11Å; N953-V956 HydrophobicContact CB-CB 4.3Å; N953-V956 HydrophobicContact CB-CG2 4.21Å; N953-V956 PolarHBondContact O-N 2.95Å; N953-Y957 PolarHBondContact O-N 3.02Å
954P47.8Very low44.6Very low57 Ų5794.7 Ų94.737%0.3748%0.477SS..Hα-helixtrans-68.1-30.6-169.326.3-34.5000114Y957 A958 F1042P954-Y957 PolarHBondContact O-N 3.2Å; P954-A958 WeakPolarHBondContact O-CB 3.46Å; P954-A958 PolarHBondContact O-N 3Å; P954-F1042 HydrophobicContact CB-CE1 4.29Å; P954-F1042 HydrophobicContact CB-CE2 3.64Å; P954-F1042 HydrophobicContact CB-CZ 3.34Å; P954-F1042 HydrophobicContact CG-CZ 4.13Å
955Q46Very low45.6Very low114 Ų11487 Ų8753%0.53345%0.447SS..Hα-helixtrans-63.7-43.8174.4-82.1-174.7-20.100110.9N953 Y957 A958 D959 D2150N953-Q955 PolarHBondContact O-N 3.48Å; N953-Q955 PolarHBondContact OD1-N 3.11Å; Q955-Y957 VanDerWaalsContact C-N 3.33Å; Q955-Y957 PolarHBondContact O-N 3.47Å; Q955-A958 PolarHBondContact O-N 3.38Å; Q955-D959 WeakPolarHBondContact O-CB 3.21Å; Q955-D959 PolarHBondContact O-N 3.33Å; Q955-D2150 PolarHBondContact NE2-OD1 2.9Å
956V51.4Low47Very low67 Ų6785.6 Ų85.641%0.40643%0.432SS..Hα-helixtrans-65.1-37.6178.5177.10000111.7N953 M960N953-V956 HydrophobicContact CB-CB 4.3Å; N953-V956 HydrophobicContact CB-CG2 4.21Å; N953-V956 PolarHBondContact O-N 2.95Å; V956-M960 VanDerWaalsContact O-CB 3.26Å; V956-M960 WeakPolarHBondContact O-CB 3.43Å; V956-M960 PolarHBondContact O-N 2.93Å; V956-M960 VanDerWaalsContact O-N 3.1Å
957Y47.5Very low48.3Very low41 Ų4187.4 Ų87.416%0.16144%0.44CS..Hα-helixtrans-65-49174.8-178.8-87.4000111.8Y947 M950 N953 P954 Q955 M960 Y961 Q1038Y947-Y957 HydrophobicContact CD1-CE2 4.06Å; Y947-Y957 AromaticContact CE1-CE2 3.65Å; Y947-Y957 HydrophobicContact CE1-CE2 3.65Å; Y947-Y957 AromaticContact CE1-CZ 3.98Å; Y947-Y957 WeakPolarHBondContact CE1-OH 3.24Å; Y947-Y957 HydrophobicContact CE2-CE2 4.38Å; Y947-Y957 AromaticContact CZ-CE2 3.85Å; Y947-Y957 VanDerWaalsContact CZ-OH 3.23Å; Y947-Y957 PolarHBondContact OH-OH 2.72Å; M950-Y957 HydrophobicContact CB-CD2 4.36Å; N953-Y957 PolarHBondContact O-N 3.02Å; P954-Y957 PolarHBondContact O-N 3.2Å; Q955-Y957 VanDerWaalsContact C-N 3.33Å; Q955-Y957 PolarHBondContact O-N 3.47Å; Y957-M960 PolarHBondContact O-N 3.17Å; Y957-Y961 HydrophobicContact CD1-CD2 4.48Å; Y957-Y961 AromaticContact CE1-CD2 3.87Å; Y957-Y961 HydrophobicContact CE1-CD2 3.87Å; Y957-Y961 HydrophobicContact CE1-CE2 4.25Å; Y957-Y961 HydrophobicContact CE1-CG 4.31Å; Y957-Y961 HydrophobicContact CE2-CD2 4.08Å; Y957-Y961 AromaticContact CE2-CE2 3.97Å; Y957-Y961 HydrophobicContact CE2-CE2 3.97Å; Y957-Y961 AromaticContact CZ-CD2 3.64Å; Y957-Y961 AromaticContact CZ-CE2 3.58Å; Y957-Y961 PolarHBondContact O-N 3.46Å; Y957-Y961 VanDerWaalsContact OH-CE2 3.24Å; Y957-Y961 WeakPolarHBondContact OH-CE2 3.4Å; Y957-Q1038 PolarHBondContact OH-NE2 3.3Å; Y957-Q1038 PolarHBondContact OH-OE1 3.28Å
958A50.3Low49.1Very low56 Ų5685.9 Ų85.946%0.46344%0.436SS..Hα-helixtrans-64-44.3-179.800000112.4P954 Q955 Y961 A962P954-A958 WeakPolarHBondContact O-CB 3.46Å; P954-A958 PolarHBondContact O-N 3Å; Q955-A958 PolarHBondContact O-N 3.38Å; A958-Y961 PolarHBondContact O-N 3.22Å; A958-A962 WeakPolarHBondContact O-CB 3.43Å; A958-A962 PolarHBondContact O-N 3.46Å
959D51.5Low50.2Low84 Ų8481.5 Ų81.545%0.44942%0.417SS..Hα-helixtrans-66.6-36179.7-177.849.5000112.1Q955 K963Q955-D959 WeakPolarHBondContact O-CB 3.21Å; Q955-D959 PolarHBondContact O-N 3.33Å; D959-K963 WeakPolarHBondContact O-CB 3.21Å; D959-K963 VanDerWaalsContact O-CD 3.3Å; D959-K963 WeakPolarHBondContact O-CD 3.43Å; D959-K963 VanDerWaalsContact O-CG 3.25Å; D959-K963 WeakPolarHBondContact O-CG 3.48Å; D959-K963 PolarHBondContact O-N 3.24Å; D959-K963 VanDerWaalsContact O-N 3.13Å; D959-K963 WeakPolarHBondContact OD1-CE 3.4Å; D959-K963 IonicContact OD1-NZ 2.67Å; D959-K963 PolarHBondContact OD1-NZ 3.48Å; D959-K963 IonicContact OD2-NZ 2.71Å; D959-K963 PolarHBondContact OD2-NZ 3.2Å
960M53.2Low50.9Low49 Ų4979.5 Ų79.524%0.24141%0.411CS..Hα-helixtrans-67.5-43.8171.2-177.3-88.6-7400111.9M950 V956 Y957 K963 F964M950-M960 HydrophobicContact SD-CE 3.63Å; V956-M960 VanDerWaalsContact O-CB 3.26Å; V956-M960 WeakPolarHBondContact O-CB 3.43Å; V956-M960 PolarHBondContact O-N 2.93Å; V956-M960 VanDerWaalsContact O-N 3.1Å; Y957-M960 PolarHBondContact O-N 3.17Å; M960-K963 PolarHBondContact O-N 3.12Å; M960-F964 HydrophobicContact CG-CD2 4.17Å; M960-F964 HydrophobicContact CG-CE2 4.4Å; M960-F964 PolarHBondContact O-N 2.69Å; M960-F964 HydrophobicContact SD-CD2 3.7Å; M960-F964 HydrophobicContact SD-CE2 4.1Å
961Y50.2Low51.6Low47 Ų4780.9 Ų80.918%0.18443%0.425CS..Hα-helixtrans-64-43.9176.4-110-101.8000112.5Y947 Y957 A958 K963 F964 Y965 Q1038Y947-Y961 HydrophobicContact CE2-CE2 4.16Å; Y947-Y961 PolarHBondContact OH-OH 3.07Å; Y957-Y961 HydrophobicContact CD1-CD2 4.48Å; Y957-Y961 AromaticContact CE1-CD2 3.87Å; Y957-Y961 HydrophobicContact CE1-CD2 3.87Å; Y957-Y961 HydrophobicContact CE1-CE2 4.25Å; Y957-Y961 HydrophobicContact CE1-CG 4.31Å; Y957-Y961 HydrophobicContact CE2-CD2 4.08Å; Y957-Y961 AromaticContact CE2-CE2 3.97Å; Y957-Y961 HydrophobicContact CE2-CE2 3.97Å; Y957-Y961 AromaticContact CZ-CD2 3.64Å; Y957-Y961 AromaticContact CZ-CE2 3.58Å; Y957-Y961 PolarHBondContact O-N 3.46Å; Y957-Y961 VanDerWaalsContact OH-CE2 3.24Å; Y957-Y961 WeakPolarHBondContact OH-CE2 3.4Å; A958-Y961 PolarHBondContact O-N 3.22Å; Y961-K963 VanDerWaalsContact C-N 3.3Å; Y961-K963 PolarHBondContact O-N 2.9Å; Y961-F964 PolarHBondContact O-N 3.29Å; Y961-Y965 AromaticContact CD1-CD2 3.88Å; Y961-Y965 HydrophobicContact CD1-CD2 3.88Å; Y961-Y965 AromaticContact CD1-CE2 3.59Å; Y961-Y965 HydrophobicContact CD1-CE2 3.59Å; Y961-Y965 HydrophobicContact CE1-CD2 4.27Å; Y961-Y965 AromaticContact CE1-CE2 3.55Å; Y961-Y965 HydrophobicContact CE1-CE2 3.55Å; Y961-Y965 WeakPolarHBondContact O-CB 3.48Å; Y961-Y965 WeakPolarHBondContact O-CD2 3.46Å; Y961-Y965 PolarHBondContact O-N 3.31Å; Y961-Q1038 VanDerWaalsContact CE1-OE1 3.32Å
962A56.5Low52.2Low56 Ų5679.2 Ų79.246%0.46341%0.409SS..Hα-helixtrans-60-39.6176.600000111.8A958 G966A958-A962 WeakPolarHBondContact O-CB 3.43Å; A958-A962 PolarHBondContact O-N 3.46Å; A962-G966 PolarHBondContact O-N 3.04Å
963K56.3Low52.8Low122 Ų12271 Ų7153%0.5338%0.381SS..Hα-helixtrans-67.2-48.5175.6-73.6163.4-171.8167.60112.1D959 M960 Y961 Y965 G966 Q967D959-K963 WeakPolarHBondContact O-CB 3.21Å; D959-K963 VanDerWaalsContact O-CD 3.3Å; D959-K963 WeakPolarHBondContact O-CD 3.43Å; D959-K963 VanDerWaalsContact O-CG 3.25Å; D959-K963 WeakPolarHBondContact O-CG 3.48Å; D959-K963 PolarHBondContact O-N 3.24Å; D959-K963 VanDerWaalsContact O-N 3.13Å; D959-K963 WeakPolarHBondContact OD1-CE 3.4Å; D959-K963 IonicContact OD1-NZ 2.67Å; D959-K963 PolarHBondContact OD1-NZ 3.48Å; D959-K963 IonicContact OD2-NZ 2.71Å; D959-K963 PolarHBondContact OD2-NZ 3.2Å; M960-K963 PolarHBondContact O-N 3.12Å; Y961-K963 VanDerWaalsContact C-N 3.3Å; Y961-K963 PolarHBondContact O-N 2.9Å; K963-Y965 PolarHBondContact O-N 2.98Å; K963-G966 PolarHBondContact O-N 2.88Å; K963-Q967 WeakPolarHBondContact O-CB 3.46Å; K963-Q967 PolarHBondContact O-N 3.09Å
964F45.9Very low52.9Low130 Ų13070 Ų7057%0.5738%0.384SS*.Hα-helixtrans-62.6-42176.9-95.2-79.7000112.8M960 Y961 M968M960-F964 HydrophobicContact CG-CD2 4.17Å; M960-F964 HydrophobicContact CG-CE2 4.4Å; M960-F964 PolarHBondContact O-N 2.69Å; M960-F964 HydrophobicContact SD-CD2 3.7Å; M960-F964 HydrophobicContact SD-CE2 4.1Å; Y961-F964 PolarHBondContact O-N 3.29Å; F964-M968 WeakPolarHBondContact O-CB 3.19Å; F964-M968 PolarHBondContact O-N 3.39Å
965Y50.5Low52.7Low36 Ų3669.8 Ų69.814%0.14139%0.387CS..Hα-helixtrans-70.7-42.5177.5-89.8-115.8000112.3Y961 K963 Q967 M968 I969 Y1031Y961-Y965 AromaticContact CD1-CD2 3.88Å; Y961-Y965 HydrophobicContact CD1-CD2 3.88Å; Y961-Y965 AromaticContact CD1-CE2 3.59Å; Y961-Y965 HydrophobicContact CD1-CE2 3.59Å; Y961-Y965 HydrophobicContact CE1-CD2 4.27Å; Y961-Y965 AromaticContact CE1-CE2 3.55Å; Y961-Y965 HydrophobicContact CE1-CE2 3.55Å; Y961-Y965 WeakPolarHBondContact O-CB 3.48Å; Y961-Y965 WeakPolarHBondContact O-CD2 3.46Å; Y961-Y965 PolarHBondContact O-N 3.31Å; K963-Y965 PolarHBondContact O-N 2.98Å; Y965-Q967 VanDerWaalsContact C-N 3.33Å; Y965-Q967 PolarHBondContact O-N 2.99Å; Y965-M968 PolarHBondContact O-N 3.44Å; Y965-I969 VanDerWaalsContact O-CB 3.28Å; Y965-I969 WeakPolarHBondContact O-CB 3.23Å; Y965-I969 VanDerWaalsContact O-CG1 3.24Å; Y965-I969 WeakPolarHBondContact O-CG1 3.31Å; Y965-I969 PolarHBondContact O-N 3.28Å; Y965-Y1031 HydrophobicContact CE1-CD1 4.19Å; Y965-Y1031 HydrophobicContact CE1-CG 4.43Å; Y965-Y1031 WeakPolarHBondContact CE1-O 3.1Å
966G62.7Low52.8Low29 Ų2966.5 Ų66.530%0.29938%0.375SS..Hα-helixtrans-60.2-42.7174.200000111.9A962 K963 I969 N970A962-G966 PolarHBondContact O-N 3.04Å; K963-G966 PolarHBondContact O-N 2.88Å; G966-I969 PolarHBondContact O-N 2.86Å; G966-N970 VanDerWaalsContact O-CB 3.25Å; G966-N970 WeakPolarHBondContact O-CB 3.5Å; G966-N970 PolarHBondContact O-N 2.96Å; G966-N970 PolarHBondContact O-ND2 3.04Å
967Q60.4Low52.5Low135 Ų13566 Ų6663%0.63137%0.374SS*.Hα-helixtrans-67.9-40176.7-163.3171.324.700112.1K963 Y965 N970 S971K963-Q967 WeakPolarHBondContact O-CB 3.46Å; K963-Q967 PolarHBondContact O-N 3.09Å; Y965-Q967 VanDerWaalsContact C-N 3.33Å; Y965-Q967 PolarHBondContact O-N 2.99Å; Q967-N970 PolarHBondContact O-N 2.75Å; Q967-S971 WeakPolarHBondContact O-CB 3.12Å; Q967-S971 PolarHBondContact O-N 2.9Å
968M53.5Low52.1Low53 Ų5366.6 Ų66.626%0.26139%0.388SS..Hα-helixtrans-62.9-50.2173.1-172.2-164.4-60.800111.4F964 Y965 N970 S971 M972 Y1031F964-M968 WeakPolarHBondContact O-CB 3.19Å; F964-M968 PolarHBondContact O-N 3.39Å; Y965-M968 PolarHBondContact O-N 3.44Å; M968-N970 VanDerWaalsContact C-N 3.28Å; M968-N970 PolarHBondContact O-N 3.27Å; M968-S971 PolarHBondContact O-N 2.88Å; M968-S971 VanDerWaalsContact O-N 3.1Å; M968-S971 PolarHBondContact O-OG 3.07Å; M968-M972 HydrophobicContact CG-SD 4.49Å; M968-M972 PolarHBondContact O-N 3.29Å; M968-M972 HydrophobicContact SD-CE 4.48Å; M968-Y1031 HydrophobicContact CE-CD1 4.19Å; M968-Y1031 HydrophobicContact CE-CE1 3.82Å; M968-Y1031 HydrophobicContact CE-CE2 4.2Å; M968-Y1031 HydrophobicContact SD-CD1 4.16Å; M968-Y1031 HydrophobicContact SD-CD2 3.58Å; M968-Y1031 VanDerWaalsContact SD-CD2 3.58Å; M968-Y1031 HydrophobicContact SD-CE1 4.1Å; M968-Y1031 HydrophobicContact SD-CE2 3.49Å; M968-Y1031 WeakPolarHBondContact SD-CE2 3.49Å; M968-Y1031 HydrophobicContact SD-CG 3.94Å
969I60.2Low51.5Low67 Ų6766.7 Ų66.734%0.34439%0.388SS..Hα-helixtrans-59.1-40.7177.4-73.1167.5000110.5Y965 G966 N973Y965-I969 VanDerWaalsContact O-CB 3.28Å; Y965-I969 WeakPolarHBondContact O-CB 3.23Å; Y965-I969 VanDerWaalsContact O-CG1 3.24Å; Y965-I969 WeakPolarHBondContact O-CG1 3.31Å; Y965-I969 PolarHBondContact O-N 3.28Å; G966-I969 PolarHBondContact O-N 2.86Å; I969-N973 VanDerWaalsContact CG2-ND2 3.33Å; I969-N973 WeakPolarHBondContact CG2-ND2 3.1Å; I969-N973 WeakPolarHBondContact O-CB 3.01Å; I969-N973 PolarHBondContact O-N 2.79Å; I969-N973 PolarHBondContact O-ND2 2.64Å
970N56Low50.8Low105 Ų10566.1 Ų66.156%0.56140%0.395SS*.Hα-helixtrans-66.9-39175.2-73-15.1000112.1G966 Q967 M968 N973 A974G966-N970 VanDerWaalsContact O-CB 3.25Å; G966-N970 WeakPolarHBondContact O-CB 3.5Å; G966-N970 PolarHBondContact O-N 2.96Å; G966-N970 PolarHBondContact O-ND2 3.04Å; Q967-N970 PolarHBondContact O-N 2.75Å; M968-N970 VanDerWaalsContact C-N 3.28Å; M968-N970 PolarHBondContact O-N 3.27Å; N970-N973 PolarHBondContact O-N 2.85Å; N970-A974 WeakPolarHBondContact O-CB 3.46Å; N970-A974 PolarHBondContact O-N 3.47Å
971S56.6Low49.9Very low70 Ų7068 Ų6849%0.4941%0.413SS..Hα-helixtrans-66.7-41.9175.574.80000112.9Q967 M968 A974 A975Q967-S971 WeakPolarHBondContact O-CB 3.12Å; Q967-S971 PolarHBondContact O-N 2.9Å; M968-S971 PolarHBondContact O-N 2.88Å; M968-S971 VanDerWaalsContact O-N 3.1Å; M968-S971 PolarHBondContact O-OG 3.07Å; S971-A974 PolarHBondContact O-N 3.25Å; S971-A975 WeakPolarHBondContact O-CB 3.37Å; S971-A975 PolarHBondContact O-N 2.7Å
972M50.2Low49.2Very low48 Ų4874.7 Ų74.724%0.23644%0.443CS..Hα-helixtrans-65.1-41.6172.9-73.5-178.9160.300111.2M968 A974 A975 V976 E1027 Y1031M968-M972 HydrophobicContact CG-SD 4.49Å; M968-M972 PolarHBondContact O-N 3.29Å; M968-M972 HydrophobicContact SD-CE 4.48Å; M972-A974 VanDerWaalsContact C-N 3.33Å; M972-A974 PolarHBondContact O-N 3.43Å; M972-A975 PolarHBondContact O-N 2.73Å; M972-V976 WeakPolarHBondContact O-CG2 3.33Å; M972-V976 PolarHBondContact O-N 2.93Å; M972-E1027 HydrophobicContact CE-CB 4.12Å; M972-E1027 HydrophobicContact CE-CG 3.93Å; M972-Y1031 HydrophobicContact CE-CD2 4.44Å; M972-Y1031 HydrophobicContact CE-CE2 4.27Å
973N53.7Low47.8Very low46 Ų4675.3 Ų75.325%0.24646%0.455CS..Hα-helixtrans-63.9-36.1175.3-90.1-56.7000113I969 N970 S977 K1259I969-N973 VanDerWaalsContact CG2-ND2 3.33Å; I969-N973 WeakPolarHBondContact CG2-ND2 3.1Å; I969-N973 WeakPolarHBondContact O-CB 3.01Å; I969-N973 PolarHBondContact O-N 2.79Å; I969-N973 PolarHBondContact O-ND2 2.64Å; N970-N973 PolarHBondContact O-N 2.85Å; N973-S977 WeakPolarHBondContact O-CB 3.45Å; N973-S977 PolarHBondContact O-N 2.61Å; N973-S977 PolarHBondContact O-OG 3.42Å; N973-K1259 HydrophobicContact CB-CD 4.38Å; N973-K1259 VanDerWaalsContact CG-CE 3.41Å; N973-K1259 WeakPolarHBondContact OD1-CE 3.47Å; N973-K1259 PolarHBondContact OD1-NZ 2.8Å
974A50Low46.5Very low59 Ų5972.6 Ų72.649%0.48846%0.462SS..Hα-helixtrans-68.8-41.7173.500000110.9N970 S971 M972 S977 A978N970-A974 WeakPolarHBondContact O-CB 3.46Å; N970-A974 PolarHBondContact O-N 3.47Å; S971-A974 PolarHBondContact O-N 3.25Å; M972-A974 VanDerWaalsContact C-N 3.33Å; M972-A974 PolarHBondContact O-N 3.43Å; A974-S977 PolarHBondContact O-N 3.25Å; A974-A978 VanDerWaalsContact O-CB 3.25Å; A974-A978 WeakPolarHBondContact O-CB 3.38Å; A974-A978 PolarHBondContact O-N 3.38Å
975A44.5Very low45.8Very low52 Ų5272.6 Ų72.643%0.4347%0.472SS..Hα-helixtrans-63.3-41.4174.500000112.8S971 M972 A978 A979S971-A975 WeakPolarHBondContact O-CB 3.37Å; S971-A975 PolarHBondContact O-N 2.7Å; M972-A975 PolarHBondContact O-N 2.73Å; A975-A978 PolarHBondContact O-N 2.88Å; A975-A979 WeakPolarHBondContact O-CB 3.23Å; A975-A979 PolarHBondContact O-N 3.33Å
976V47.4Very low44.8Very low45 Ų4576.8 Ų76.827%0.27350%0.504SS..Hα-helixtrans-64-44.4173.6169.60000111.1M972 A978 A979 A980 M1024M972-V976 WeakPolarHBondContact O-CG2 3.33Å; M972-V976 PolarHBondContact O-N 2.93Å; V976-A978 VanDerWaalsContact C-N 3.34Å; V976-A978 PolarHBondContact O-N 2.95Å; V976-A979 PolarHBondContact O-N 3.02Å; V976-A980 WeakPolarHBondContact O-CB 2.97Å; V976-A980 PolarHBondContact O-N 3.33Å; V976-M1024 HydrophobicContact CG2-CE 3.64Å; V976-M1024 HydrophobicContact CG2-SD 3.86Å
977S45.1Very low43.1Very low56 Ų5680.1 Ų80.139%0.39253%0.529SS..Hα-helixtrans-66.4-37.4178.1-49.30000111.6N973 A974 A980 S981N973-S977 WeakPolarHBondContact O-CB 3.45Å; N973-S977 PolarHBondContact O-N 2.61Å; N973-S977 PolarHBondContact O-OG 3.42Å; A974-S977 PolarHBondContact O-N 3.25Å; S977-A980 PolarHBondContact O-N 2.84Å; S977-S981 WeakPolarHBondContact O-CB 3.28Å; S977-S981 PolarHBondContact O-N 3.01Å; S977-S981 PolarHBondContact O-OG 3.39Å
978A39.9Very low41.6Very low54 Ų5477.2 Ų77.245%0.44654%0.535SS..Hα-helixtrans-69.4-29.6174.500000113.1A974 A975 V976 S981A974-A978 VanDerWaalsContact O-CB 3.25Å; A974-A978 WeakPolarHBondContact O-CB 3.38Å; A974-A978 PolarHBondContact O-N 3.38Å; A975-A978 PolarHBondContact O-N 2.88Å; V976-A978 VanDerWaalsContact C-N 3.34Å; V976-A978 PolarHBondContact O-N 2.95Å; A978-S981 WeakPolarHBondContact CA-OG 3.35Å; A978-S981 PolarHBondContact O-OG 2.78Å
979A37.5Very low40.5Very low58 Ų5879.7 Ų79.748%0.47956%0.563SS.*Hα-helixtrans-72.4-44.6171.200000111.6A975 V976 S981 K982A975-A979 WeakPolarHBondContact O-CB 3.23Å; A975-A979 PolarHBondContact O-N 3.33Å; V976-A979 PolarHBondContact O-N 3.02Å; A979-S981 VanDerWaalsContact C-N 3.33Å; A979-S981 PolarHBondContact O-N 3.1Å; A979-K982 PolarHBondContact O-N 2.84Å; A979-K982 VanDerWaalsContact O-N 3.16Å
980A36.2Very low38.9Very low71 Ų7179.6 Ų79.659%0.58758%0.579SS**Hα-helixtrans-60.8-39.9174.900000112.1V976 S977 K982 G983V976-A980 WeakPolarHBondContact O-CB 2.97Å; V976-A980 PolarHBondContact O-N 3.33Å; S977-A980 PolarHBondContact O-N 2.84Å; A980-K982 PolarHBondContact O-N 3.42Å; A980-G983 PolarHBondContact O-N 3.01Å
981S35.5Very low37.5Very low90 Ų9080.6 Ų80.663%0.62959%0.589SS**THydrogen-bonded Turntrans-65.51176.272.20000115.4S977 A978 A979S977-S981 WeakPolarHBondContact O-CB 3.28Å; S977-S981 PolarHBondContact O-N 3.01Å; S977-S981 PolarHBondContact O-OG 3.39Å; A978-S981 WeakPolarHBondContact CA-OG 3.35Å; A978-S981 PolarHBondContact O-OG 2.78Å; A979-S981 VanDerWaalsContact C-N 3.33Å; A979-S981 PolarHBondContact O-N 3.1Å
982K34.4Very low36.2Very low186 Ų18685.6 Ų85.681%0.80961%0.608SS**THydrogen-bonded Turntrans-109.29.2170.4-68.7-169.6173.7-175.40113.8A979 A980A979-K982 PolarHBondContact O-N 2.84Å; A979-K982 VanDerWaalsContact O-N 3.16Å; A980-K982 PolarHBondContact O-N 3.42Å
983G28.5Very low35.2Very low69 Ų6988.3 Ų88.371%0.71163%0.63SS**  trans-98.325.6173.400000114.8A980A980-G983 PolarHBondContact O-N 3.01Å
984G27.4Very low34Very low66 Ų6689.2 Ų89.268%0.6865%0.65SS**  trans-110.2129.1179.200000112.3
985V31.6Very low33.1Very low130 Ų13094.3 Ų94.379%0.78867%0.668SS**  trans-98.9128.9-171.4-177.10000111.5A987V985-A987 PolarHBondContact O-N 3.05Å
986P30.7Very low32.8Very low124 Ų124100.4 Ų100.481%0.80569%0.69SS**  trans-75.998.9158.231-29.9000108.8
987A26.7Very low32.1Very low99 Ų99103.2 Ų103.282%0.81871%0.709SS**  trans-65.2139.5172.300000110.4V985V985-A987 PolarHBondContact O-N 3.05Å
988G27.5Very low31.4Very low73 Ų73106.4 Ų106.475%0.75373%0.731SS**  trans17736.1-171.500000119.5
989A31.1Very low30.9Very low105 Ų105107.9 Ų107.987%0.86874%0.744SS**  trans55.6145.1155.200000123.1
990G27.2Very low30.4Very low66 Ų66111.3 Ų111.368%0.6876%0.758SS**  trans67.580.5132.600000118.1
991V26.9Very low30.4Very low126 Ų126113.2 Ų113.276%0.76476%0.764SS**  cis62.297.948.6-173.70000113.6P993V991-P993 VanDerWaalsContact CG1-CD 3.45Å; V991-P993 HydrophobicContact CG1-CG 4.34Å
992I28.2Very low30.1Very low174 Ų174115.1 Ų115.189%0.89277%0.772SS**  trans-141.190.9138.8-55.3-176000109.2
993P29Very low29.7Very low105 Ų105111.6 Ų111.668%0.68277%0.771SS**  trans-76163.1143.835.8-32.5000109.2V991V991-P993 VanDerWaalsContact CG1-CD 3.45Å; V991-P993 HydrophobicContact CG1-CG 4.34Å
994G29.8Very low29.6Very low65 Ų65112.2 Ų112.267%0.6777%0.77SS**  cis178.8-163.4-2.400000109.7
995L30Very low29.6Very low167 Ų167113.2 Ų113.287%0.87477%0.771SS**  trans-170.8100.7154.7-109.8167000110.7
996M38.3Very low29.5Very low179 Ų179115 Ų11588%0.88277%0.771SS**  trans-106.7157.5145.9-64.4-72.6-176.300105.9
997P33.6Very low29.5Very low105 Ų105116.2 Ų116.268%0.68277%0.77SS**  -155.6168.5108.137.7-19.9000117.1
998S29.3Very low29.7Very low122 Ų122117.5 Ų117.585%0.85377%0.767SS**  trans68.1152.7151-110.60000119.8
999A30Very low29.7Very low86 Ų86118.6 Ų118.671%0.71177%0.769SS**  cis-158.1174.9-0.500000108.6
1000V27.5Very low29.6Very low130 Ų130116.6 Ų116.679%0.78875%0.752SS**  cis-159163.7-9.7106.20000108
1001P34.8Very low29.7Very low110 Ų110119.1 Ų119.171%0.71476%0.755SS**  trans-115.5-135.8-166.343.6-33.5000115.8
1002V28.9Very low29.8Very low130 Ų130118.3 Ų118.379%0.78876%0.755SS**  trans84.1120179.6-169.10000114.1
1003S26.1Very low29.8Very low112 Ų112114.2 Ų114.278%0.78376%0.755SS**  cis88.3148.235.5-145.80000113.3
1004A26.9Very low29.9Very low83 Ų83112.8 Ų112.869%0.68676%0.76SS**  cis-158.5171.516.200000114.6
1005A27.4Very low29.9Very low86 Ų86115.5 Ų115.571%0.71177%0.769SS**  trans70.7155.5143.100000120.8
1006Q30.5Very low29.9Very low169 Ų169112.2 Ų112.279%0.7976%0.755SS**  cis-165.9174.8-4.4-132.9168.1-11.900114.7
1007L30.2Very low29.6Very low149 Ų149110 Ų11078%0.7876%0.757SS**  trans75.1143.1155.4-71.4160.7000119.1
1008V30.4Very low29.5Very low126 Ų126107.9 Ų107.976%0.76476%0.755SS**  cis-138.71416.9-174.80000112.2
1009A27.8Very low29.8Very low95 Ų95105 Ų10579%0.78574%0.735SS**  trans25.7150.3156.200000123.7
1010A28.4Very low30.8Very low63 Ų63105 Ų10552%0.52173%0.729SS.*  cis-148.2132.617.500000115.6
1011T29.8Very low31.1Very low119 Ų119104.7 Ų104.773%0.7372%0.719SS**  trans42.1140.3136.159.60000122.8
1012S29Very low31.4Very low110 Ų110101.5 Ų101.577%0.76970%0.702SS**  cis179.5138.3-7.248.40000112.7
1013G28.1Very low32.3Very low87 Ų8797.6 Ų97.690%0.89768%0.684SS**  trans70.4153.6156.700000119
1014G30.2Very low33.3Very low75 Ų7594.6 Ų94.677%0.77366%0.658SS**  cis169135.3-12.100000114.9
1015S30.3Very low34.6Very low123 Ų12394.2 Ų94.286%0.8664%0.644SS**  trans51.8149.2153.4-150.20000123.3
1016V31.2Very low36.2Very low98 Ų9898 Ų9859%0.59464%0.64SS**  147.1120126.7168.40000110.9G1018V1016-G1018 VanDerWaalsContact CG1-N 3.34Å
1017S30.4Very low37.5Very low131 Ų13192.8 Ų92.892%0.91662%0.615SS**SBendtrans-113.224.9165.7-165.40000113.5
1018G32.1Very low39Very low62 Ų6292.4 Ų92.464%0.63960%0.604SS**  trans-92.130.6154.200000111.5V1016V1016-G1018 VanDerWaalsContact CG1-N 3.34Å
1019S35.7Very low40.2Very low62 Ų6292.1 Ų92.143%0.43459%0.594SS.*Hα-helixtrans-89.3-17.4-158.6-159.60000114.6A1023S1019-A1023 WeakPolarHBondContact O-CB 3.25Å; S1019-A1023 PolarHBondContact O-N 3.22Å
1020S51.5Low41.7Very low84 Ų8495.4 Ų95.459%0.58759%0.586SS**Hα-helixtrans-64.9-54.4-171-1710000113A1023 M1024S1020-A1023 PolarHBondContact O-N 3.1Å; S1020-M1024 PolarHBondContact O-N 2.74Å
1021E34.2Very low42.8Very low124 Ų12496.4 Ų96.458%0.57958%0.577SS**Hα-helixtrans-69.1-43.5179.7-173.4172.4-165.800111.8A1023 M1024 L1025E1021-A1023 VanDerWaalsContact C-N 3.27Å; E1021-A1023 PolarHBondContact O-N 3.06Å; E1021-M1024 PolarHBondContact O-N 2.82Å; E1021-M1024 VanDerWaalsContact O-N 3.14Å; E1021-L1025 HydrophobicContact CG-CD1 4.14Å; E1021-L1025 HydrophobicContact CG-CG 4.43Å; E1021-L1025 WeakPolarHBondContact O-CB 3.42Å; E1021-L1025 WeakPolarHBondContact O-CG 3.41Å; E1021-L1025 PolarHBondContact O-N 2.86Å
1022A40.8Very low44.5Very low44 Ų4493.7 Ų93.736%0.36456%0.56SS.*Hα-helixtrans-62.1-32.5176.300000113R1026A1022-R1026 WeakPolarHBondContact O-CG 3.45Å; A1022-R1026 PolarHBondContact O-N 3.34Å; A1022-R1026 VanDerWaalsContact O-N 3.1Å
1023A48.2Very low45.7Very low48 Ų4894.6 Ų94.640%0.39755%0.552SS.*Hα-helixtrans-71.2-44.317200000111.7S1019 S1020 E1021 L1025 R1026 E1027S1019-A1023 WeakPolarHBondContact O-CB 3.25Å; S1019-A1023 PolarHBondContact O-N 3.22Å; S1020-A1023 PolarHBondContact O-N 3.1Å; E1021-A1023 VanDerWaalsContact C-N 3.27Å; E1021-A1023 PolarHBondContact O-N 3.06Å; A1023-L1025 VanDerWaalsContact C-N 3.34Å; A1023-L1025 PolarHBondContact O-N 2.83Å; A1023-R1026 PolarHBondContact O-N 2.98Å; A1023-E1027 WeakPolarHBondContact O-CB 3.27Å; A1023-E1027 PolarHBondContact O-N 3.25Å
1024M47Very low47.3Very low48 Ų4892.5 Ų92.524%0.23653%0.526CS..Hα-helixtrans-65.6-34.5176.9-73.1-172.7-7400112.8V976 S1020 E1021 E1027 R1028V976-M1024 HydrophobicContact CG2-CE 3.64Å; V976-M1024 HydrophobicContact CG2-SD 3.86Å; S1020-M1024 PolarHBondContact O-N 2.74Å; E1021-M1024 PolarHBondContact O-N 2.82Å; E1021-M1024 VanDerWaalsContact O-N 3.14Å; M1024-E1027 PolarHBondContact O-N 3.15Å; M1024-R1028 WeakPolarHBondContact O-CB 3.32Å; M1024-R1028 PolarHBondContact O-N 3.19Å
1025L53.2Low48.7Very low76 Ų7694.9 Ų94.940%0.39851%0.513SS..Hα-helixtrans-66.1-47.1171.8-73.7172.4000111.5E1021 A1023 E1027 R1028 E1029E1021-L1025 HydrophobicContact CG-CD1 4.14Å; E1021-L1025 HydrophobicContact CG-CG 4.43Å; E1021-L1025 WeakPolarHBondContact O-CB 3.42Å; E1021-L1025 WeakPolarHBondContact O-CG 3.41Å; E1021-L1025 PolarHBondContact O-N 2.86Å; A1023-L1025 VanDerWaalsContact C-N 3.34Å; A1023-L1025 PolarHBondContact O-N 2.83Å; L1025-E1027 PolarHBondContact O-N 3.4Å; L1025-R1028 WeakPolarHBondContact O-CB 3.49Å; L1025-R1028 PolarHBondContact O-N 3.49Å; L1025-E1029 WeakPolarHBondContact O-CB 3.29Å; L1025-E1029 VanDerWaalsContact O-CG 3.28Å; L1025-E1029 WeakPolarHBondContact O-CG 3.36Å; L1025-E1029 PolarHBondContact O-N 3.34Å
1026R60.8Low50.3Low164 Ų16493.1 Ų93.162%0.61949%0.493SS*.Hα-helixtrans-61.6-32.2172.9-73.1-177.1-155.6177.18.5113A1022 A1023 R1030A1022-R1026 WeakPolarHBondContact O-CG 3.45Å; A1022-R1026 PolarHBondContact O-N 3.34Å; A1022-R1026 VanDerWaalsContact O-N 3.1Å; A1023-R1026 PolarHBondContact O-N 2.98Å; R1026-R1030 WeakPolarHBondContact O-CB 3.42Å; R1026-R1030 WeakPolarHBondContact O-CG 3.35Å; R1026-R1030 PolarHBondContact O-N 3.11Å
1027E59.1Low52.4Low60 Ų6091.4 Ų91.428%0.2848%0.483SS..Hα-helixtrans-73.1-43177.3-15067.6174.400111.3M972 A1023 M1024 L1025 E1029 R1030 Y1031M972-E1027 HydrophobicContact CE-CB 4.12Å; M972-E1027 HydrophobicContact CE-CG 3.93Å; A1023-E1027 WeakPolarHBondContact O-CB 3.27Å; A1023-E1027 PolarHBondContact O-N 3.25Å; M1024-E1027 PolarHBondContact O-N 3.15Å; L1025-E1027 PolarHBondContact O-N 3.4Å; E1027-E1029 VanDerWaalsContact C-N 3.32Å; E1027-E1029 PolarHBondContact O-N 3.4Å; E1027-R1030 PolarHBondContact O-N 3.22Å; E1027-R1030 IonicContact OE2-CZ 3.76Å; E1027-R1030 IonicContact OE2-NE 2.71Å; E1027-R1030 PolarHBondContact OE2-NE 3.07Å; E1027-R1030 IonicContact OE2-NH2 2.6Å; E1027-R1030 PolarHBondContact OE2-NH2 3.03Å; E1027-Y1031 HydrophobicContact CG-CD2 4.04Å; E1027-Y1031 HydrophobicContact CG-CE2 3.73Å; E1027-Y1031 WeakPolarHBondContact O-CD2 3.17Å; E1027-Y1031 PolarHBondContact O-N 3.35Å
1028R61.1Low54Low141 Ų14188 Ų8853%0.53245%0.453SS..Hα-helixtrans-56-45.4168.3178.8-175.7176.1-169.6-0.8111.4M1024 L1025 Y1031 T1032M1024-R1028 WeakPolarHBondContact O-CB 3.32Å; M1024-R1028 PolarHBondContact O-N 3.19Å; L1025-R1028 WeakPolarHBondContact O-CB 3.49Å; L1025-R1028 PolarHBondContact O-N 3.49Å; R1028-Y1031 PolarHBondContact O-N 3.02Å; R1028-T1032 WeakPolarHBondContact O-CB 3.31Å; R1028-T1032 PolarHBondContact O-N 2.89Å; R1028-T1032 PolarHBondContact O-OG1 2.87Å
1029E55.1Low55.2Low121 Ų12186.5 Ų86.557%0.56543%0.434SS*.Hα-helixtrans-62-45.8175.9-73.8167.2175.700111.7L1025 E1027 Y1031 T1032 H1033L1025-E1029 WeakPolarHBondContact O-CB 3.29Å; L1025-E1029 VanDerWaalsContact O-CG 3.28Å; L1025-E1029 WeakPolarHBondContact O-CG 3.36Å; L1025-E1029 PolarHBondContact O-N 3.34Å; E1027-E1029 VanDerWaalsContact C-N 3.32Å; E1027-E1029 PolarHBondContact O-N 3.4Å; E1029-Y1031 PolarHBondContact O-N 3.2Å; E1029-T1032 PolarHBondContact O-N 3.18Å; E1029-H1033 WeakPolarHBondContact O-CB 3.3Å; E1029-H1033 PolarHBondContact O-N 3.22Å
1030R60.7Low56.1Low164 Ų16488 Ų8862%0.61944%0.437SS*.Hα-helixtrans-59.9-45.5175.6-81.2-165.1-81.9-137.13.9112.1R1026 E1027 H1033 A1034R1026-R1030 WeakPolarHBondContact O-CB 3.42Å; R1026-R1030 WeakPolarHBondContact O-CG 3.35Å; R1026-R1030 PolarHBondContact O-N 3.11Å; E1027-R1030 PolarHBondContact O-N 3.22Å; E1027-R1030 IonicContact OE2-CZ 3.76Å; E1027-R1030 IonicContact OE2-NE 2.71Å; E1027-R1030 PolarHBondContact OE2-NE 3.07Å; E1027-R1030 IonicContact OE2-NH2 2.6Å; E1027-R1030 PolarHBondContact OE2-NH2 3.03Å; R1030-H1033 PolarHBondContact O-N 2.83Å; R1030-A1034 WeakPolarHBondContact O-CB 3.45Å; R1030-A1034 PolarHBondContact O-N 3.41Å
1031Y50.7Low56.8Low84 Ų8489.6 Ų89.633%0.32944%0.435SS..Hα-helixtrans-66.2-41.3176.2-78.8-60.8000112.1Y965 M968 M972 E1027 R1028 E1029 H1033 A1034 Y1035Y965-Y1031 HydrophobicContact CE1-CD1 4.19Å; Y965-Y1031 HydrophobicContact CE1-CG 4.43Å; Y965-Y1031 WeakPolarHBondContact CE1-O 3.1Å; M968-Y1031 HydrophobicContact CE-CD1 4.19Å; M968-Y1031 HydrophobicContact CE-CE1 3.82Å; M968-Y1031 HydrophobicContact CE-CE2 4.2Å; M968-Y1031 HydrophobicContact SD-CD1 4.16Å; M968-Y1031 HydrophobicContact SD-CD2 3.58Å; M968-Y1031 VanDerWaalsContact SD-CD2 3.58Å; M968-Y1031 HydrophobicContact SD-CE1 4.1Å; M968-Y1031 HydrophobicContact SD-CE2 3.49Å; M968-Y1031 WeakPolarHBondContact SD-CE2 3.49Å; M968-Y1031 HydrophobicContact SD-CG 3.94Å; M972-Y1031 HydrophobicContact CE-CD2 4.44Å; M972-Y1031 HydrophobicContact CE-CE2 4.27Å; E1027-Y1031 HydrophobicContact CG-CD2 4.04Å; E1027-Y1031 HydrophobicContact CG-CE2 3.73Å; E1027-Y1031 WeakPolarHBondContact O-CD2 3.17Å; E1027-Y1031 PolarHBondContact O-N 3.35Å; R1028-Y1031 PolarHBondContact O-N 3.02Å; E1029-Y1031 PolarHBondContact O-N 3.2Å; Y1031-H1033 PolarHBondContact O-N 3.48Å; Y1031-A1034 PolarHBondContact O-N 3.05Å; Y1031-Y1035 PolarHBondContact O-N 3.06Å
1032T64.9Low58.4Low62 Ų6287.9 Ų87.938%0.3843%0.426SS..Hα-helixtrans-63.1-42.2176.1-51.40000111.2R1028 E1029 Y1035 I1036R1028-T1032 WeakPolarHBondContact O-CB 3.31Å; R1028-T1032 PolarHBondContact O-N 2.89Å; R1028-T1032 PolarHBondContact O-OG1 2.87Å; E1029-T1032 PolarHBondContact O-N 3.18Å; T1032-Y1035 PolarHBondContact O-N 3.28Å; T1032-I1036 HydrophobicContact CG2-CD1 4.09Å; T1032-I1036 WeakPolarHBondContact O-CG1 3.44Å; T1032-I1036 PolarHBondContact O-N 2.97Å
1033H55.4Low59.5Low129 Ų12991.8 Ų91.860%0.59744%0.437SS*.Hα-helixtrans-67-37.6175.6-167.7-69.3000112.5E1029 R1030 Y1031 I1036 T1037E1029-H1033 WeakPolarHBondContact O-CB 3.3Å; E1029-H1033 PolarHBondContact O-N 3.22Å; R1030-H1033 PolarHBondContact O-N 2.83Å; Y1031-H1033 PolarHBondContact O-N 3.48Å; H1033-I1036 PolarHBondContact O-N 3.1Å; H1033-T1037 PolarHBondContact ND1-OG1 3.2Å; H1033-T1037 WeakPolarHBondContact O-CB 3.23Å; H1033-T1037 PolarHBondContact O-N 3.15Å; H1033-T1037 PolarHBondContact O-OG1 2.85Å
1034A61.6Low60.4Low43 Ų4397.7 Ų97.736%0.35545%0.449SS..Hα-helixtrans-62.7-44172.700000111.7R1030 Y1031 T1037 Q1038R1030-A1034 WeakPolarHBondContact O-CB 3.45Å; R1030-A1034 PolarHBondContact O-N 3.41Å; Y1031-A1034 PolarHBondContact O-N 3.05Å; A1034-T1037 PolarHBondContact O-N 2.92Å; A1034-Q1038 WeakPolarHBondContact O-CB 3.37Å; A1034-Q1038 PolarHBondContact O-N 3.36Å
1035Y58.3Low61.5Low124 Ų124100.6 Ų100.649%0.48646%0.461SS..Hα-helixtrans-59.7-50174.2176.6-100.2000111.5Y1031 T1032 T1037 Q1038 A1039Y1031-Y1035 PolarHBondContact O-N 3.06Å; T1032-Y1035 PolarHBondContact O-N 3.28Å; Y1035-T1037 VanDerWaalsContact C-N 3.29Å; Y1035-T1037 PolarHBondContact O-N 3.19Å; Y1035-Q1038 PolarHBondContact O-N 3.1Å; Y1035-A1039 WeakPolarHBondContact O-CB 3.45Å; Y1035-A1039 PolarHBondContact O-N 2.69Å
1036I65.7Low62.1Low87 Ų87101.9 Ų101.945%0.44647%0.465SS..Hα-helixtrans-59.6-40.1177-68.9166.1000111.1T1032 H1033 N1040T1032-I1036 HydrophobicContact CG2-CD1 4.09Å; T1032-I1036 WeakPolarHBondContact O-CG1 3.44Å; T1032-I1036 PolarHBondContact O-N 2.97Å; H1033-I1036 PolarHBondContact O-N 3.1Å; I1036-N1040 WeakPolarHBondContact O-CB 3.31Å; I1036-N1040 PolarHBondContact O-N 2.95Å; I1036-N1040 PolarHBondContact O-ND2 2.82Å
1037T73.4Confident62.5Low61 Ų61100.5 Ų100.537%0.37446%0.461SS..Hα-helixtrans-66.3-47.3179-56.50000110.7H1033 A1034 Y1035 N1040 E1041H1033-T1037 PolarHBondContact ND1-OG1 3.2Å; H1033-T1037 WeakPolarHBondContact O-CB 3.23Å; H1033-T1037 PolarHBondContact O-N 3.15Å; H1033-T1037 PolarHBondContact O-OG1 2.85Å; A1034-T1037 PolarHBondContact O-N 2.92Å; Y1035-T1037 VanDerWaalsContact C-N 3.29Å; Y1035-T1037 PolarHBondContact O-N 3.19Å; T1037-N1040 PolarHBondContact O-N 3.37Å; T1037-E1041 PolarHBondContact O-N 2.82Å
1038Q64.4Low63.1Low61 Ų61103.9 Ų103.929%0.28548%0.475SS..Hα-helixtrans-71.5-35-177.6-168.516773.700112.6Y947 Y957 Y961 A1034 Y1035 E1041 F1042Y947-Q1038 PolarHBondContact OH-NE2 3.08Å; Y947-Q1038 VanDerWaalsContact OH-NE2 3.08Å; Y957-Q1038 PolarHBondContact OH-NE2 3.3Å; Y957-Q1038 PolarHBondContact OH-OE1 3.28Å; Y961-Q1038 VanDerWaalsContact CE1-OE1 3.32Å; A1034-Q1038 WeakPolarHBondContact O-CB 3.37Å; A1034-Q1038 PolarHBondContact O-N 3.36Å; Y1035-Q1038 PolarHBondContact O-N 3.1Å; Q1038-E1041 PolarHBondContact O-N 3.41Å; Q1038-F1042 PolarHBondContact O-N 3.16Å
1039A57.2Low63.6Low30 Ų30103 Ų10325%0.24848%0.477CS..Hα-helixtrans-62.5-43.7169.800000111.4Y1035 E1041 F1042 H1043Y1035-A1039 WeakPolarHBondContact O-CB 3.45Å; Y1035-A1039 PolarHBondContact O-N 2.69Å; A1039-E1041 VanDerWaalsContact C-N 3.35Å; A1039-E1041 PolarHBondContact O-N 3.41Å; A1039-F1042 PolarHBondContact O-N 2.79Å; A1039-H1043 PolarHBondContact O-CD2 2.8Å; A1039-H1043 PolarHBondContact O-N 3.46Å
1040N55.8Low64.5Low93 Ų93102.2 Ų102.250%0.49748%0.476SS..Hα-helixtrans-64.9-34.7174.9-82.8-66.2000112.9I1036 T1037 R1044I1036-N1040 WeakPolarHBondContact O-CB 3.31Å; I1036-N1040 PolarHBondContact O-N 2.95Å; I1036-N1040 PolarHBondContact O-ND2 2.82Å; T1037-N1040 PolarHBondContact O-N 3.37Å; N1040-R1044 WeakPolarHBondContact O-CB 3.02Å; N1040-R1044 VanDerWaalsContact O-CG 3.31Å; N1040-R1044 WeakPolarHBondContact O-CG 3.4Å; N1040-R1044 PolarHBondContact O-N 2.89Å
1041E64.7Low65.3Low118 Ų11898.4 Ų98.455%0.55147%0.467SS*.Hα-helixtrans-68.4-40.2171.5-73.2-160.4126.500112.4T1037 Q1038 A1039 R1044 H1045T1037-E1041 PolarHBondContact O-N 2.82Å; Q1038-E1041 PolarHBondContact O-N 3.41Å; A1039-E1041 VanDerWaalsContact C-N 3.35Å; A1039-E1041 PolarHBondContact O-N 3.41Å; E1041-R1044 CarbonylContact O-C 3.59Å; E1041-R1044 WeakPolarHBondContact O-CB 3.36Å; E1041-R1044 PolarHBondContact O-N 3.19Å; E1041-H1045 PolarHBondContact O-N 2.84Å
1042F69.3Low66.5Low88 Ų88100.7 Ų100.739%0.38648%0.476SS..Hα-helixtrans-61.7-45.5173.7178.4-109000111.8P954 Q1038 A1039 R1044 H1045 Q1046P954-F1042 HydrophobicContact CB-CE1 4.29Å; P954-F1042 HydrophobicContact CB-CE2 3.64Å; P954-F1042 HydrophobicContact CB-CZ 3.34Å; P954-F1042 HydrophobicContact CG-CZ 4.13Å; Q1038-F1042 PolarHBondContact O-N 3.16Å; A1039-F1042 PolarHBondContact O-N 2.79Å; F1042-R1044 VanDerWaalsContact C-N 3.3Å; F1042-R1044 PolarHBondContact O-N 2.89Å; F1042-H1045 PolarHBondContact O-N 3.23Å; F1042-H1045 VanDerWaalsContact O-N 3.08Å; F1042-Q1046 HydrophobicContact CD1-CG 4.42Å; F1042-Q1046 HydrophobicContact CE1-CG 3.8Å; F1042-Q1046 HydrophobicContact CE2-CG 4.02Å; F1042-Q1046 HydrophobicContact CZ-CG 3.55Å; F1042-Q1046 PolarHBondContact O-N 3.39Å
1043H63.3Low67Low126 Ų126104 Ų10458%0.58349%0.487SS*.Hα-helixtrans-62.4-36.9175.3-75-141.1000111.6A1039 Y1047A1039-H1043 PolarHBondContact O-CD2 2.8Å; A1039-H1043 PolarHBondContact O-N 3.46Å; H1043-Y1047 WeakPolarHBondContact O-CB 3.4Å; H1043-Y1047 PolarHBondContact O-N 3.36Å
1044R66.4Low68.1Low172 Ų172103.6 Ų103.665%0.64949%0.485SS*.Hα-helixtrans-67.2-34.1172.1-80.6176160-151.3-5.1113.2N1040 E1041 F1042 K1048N1040-R1044 WeakPolarHBondContact O-CB 3.02Å; N1040-R1044 VanDerWaalsContact O-CG 3.31Å; N1040-R1044 WeakPolarHBondContact O-CG 3.4Å; N1040-R1044 PolarHBondContact O-N 2.89Å; E1041-R1044 CarbonylContact O-C 3.59Å; E1041-R1044 WeakPolarHBondContact O-CB 3.36Å; E1041-R1044 PolarHBondContact O-N 3.19Å; F1042-R1044 VanDerWaalsContact C-N 3.3Å; F1042-R1044 PolarHBondContact O-N 2.89Å; R1044-K1048 WeakPolarHBondContact O-CG 3.19Å; R1044-K1048 PolarHBondContact O-N 3.21Å
1045H70.5Confident69Low109 Ų109106.3 Ų106.351%0.50549%0.491SS..Hα-helixtrans-70.6-44.8173.7-95.4-96.8000111.7E1041 F1042 Y1047 K1048 E1049E1041-H1045 PolarHBondContact O-N 2.84Å; F1042-H1045 PolarHBondContact O-N 3.23Å; F1042-H1045 VanDerWaalsContact O-N 3.08Å; H1045-Y1047 VanDerWaalsContact C-N 3.32Å; H1045-Y1047 PolarHBondContact O-N 3.2Å; H1045-K1048 WeakPolarHBondContact O-CB 3.19Å; H1045-K1048 PolarHBondContact O-N 3.36Å; H1045-K1048 VanDerWaalsContact O-N 3.14Å; H1045-E1049 WeakPolarHBondContact O-CG 3.44Å; H1045-E1049 PolarHBondContact O-N 3.19Å
1046Q65.3Low69.8Low103 Ų103104.8 Ų104.848%0.48149%0.488SS..Hα-helixtrans-55.5-44.7170.8-77.9-76.5-74.900112.2F1042 K1048 E1049 L1050F1042-Q1046 HydrophobicContact CD1-CG 4.42Å; F1042-Q1046 HydrophobicContact CE1-CG 3.8Å; F1042-Q1046 HydrophobicContact CE2-CG 4.02Å; F1042-Q1046 HydrophobicContact CZ-CG 3.55Å; F1042-Q1046 PolarHBondContact O-N 3.39Å; Q1046-K1048 VanDerWaalsContact C-N 3.35Å; Q1046-K1048 PolarHBondContact O-N 3.26Å; Q1046-E1049 PolarHBondContact O-N 2.75Å; Q1046-L1050 WeakPolarHBondContact O-CB 3.03Å; Q1046-L1050 PolarHBondContact O-N 3.24Å
1047Y70.3Confident70.3Confident134 Ų134106.6 Ų106.653%0.52549%0.494SS..Hα-helixtrans-67.9-32.2177.7-161.2-101.2000113H1043 H1045 I1051H1043-Y1047 WeakPolarHBondContact O-CB 3.4Å; H1043-Y1047 PolarHBondContact O-N 3.36Å; H1045-Y1047 VanDerWaalsContact C-N 3.32Å; H1045-Y1047 PolarHBondContact O-N 3.2Å; Y1047-I1051 HydrophobicContact CD1-CD1 3.72Å; Y1047-I1051 HydrophobicContact CD1-CG1 4.5Å; Y1047-I1051 HydrophobicContact CE1-CD1 3.61Å; Y1047-I1051 HydrophobicContact CE1-CG1 4.41Å; Y1047-I1051 WeakPolarHBondContact O-CG1 3.36Å; Y1047-I1051 PolarHBondContact O-N 3.37Å; Y1047-I1051 VanDerWaalsContact O-N 3.1Å
1048K72.3Confident70.4Confident132 Ų132109.2 Ų109.257%0.57450%0.503SS*.Hα-helixtrans-69.6-44.4171.6-80.6177.7177178.60112.5R1044 H1045 Q1046 L1050 I1051 Y1052R1044-K1048 WeakPolarHBondContact O-CG 3.19Å; R1044-K1048 PolarHBondContact O-N 3.21Å; H1045-K1048 WeakPolarHBondContact O-CB 3.19Å; H1045-K1048 PolarHBondContact O-N 3.36Å; H1045-K1048 VanDerWaalsContact O-N 3.14Å; Q1046-K1048 VanDerWaalsContact C-N 3.35Å; Q1046-K1048 PolarHBondContact O-N 3.26Å; K1048-L1050 VanDerWaalsContact C-N 3.3Å; K1048-L1050 PolarHBondContact O-N 2.79Å; K1048-I1051 PolarHBondContact O-N 3.44Å; K1048-Y1052 WeakPolarHBondContact O-CB 3.42Å; K1048-Y1052 PolarHBondContact O-N 2.97Å
1049E70.3Confident71Confident122 Ų122111.4 Ų111.457%0.5751%0.513SS*.Hα-helixtrans-57.3-45.3174-75.5-69125.700110.3H1045 Q1046 I1051 Y1052 Q1053H1045-E1049 WeakPolarHBondContact O-CG 3.44Å; H1045-E1049 PolarHBondContact O-N 3.19Å; Q1046-E1049 PolarHBondContact O-N 2.75Å; E1049-I1051 PolarHBondContact O-N 2.84Å; E1049-Y1052 PolarHBondContact O-N 3.42Å; E1049-Q1053 VanDerWaalsContact O-CB 3.29Å; E1049-Q1053 WeakPolarHBondContact O-CB 3.3Å; E1049-Q1053 PolarHBondContact O-N 2.92Å
1050L75.1Confident71.9Confident104 Ų104115.4 Ų115.455%0.54553%0.526SS..Hα-helixtrans-62.1-41.8177.3-163.975.6000112.6Q1046 K1048 Q1054Q1046-L1050 WeakPolarHBondContact O-CB 3.03Å; Q1046-L1050 PolarHBondContact O-N 3.24Å; K1048-L1050 VanDerWaalsContact C-N 3.3Å; K1048-L1050 PolarHBondContact O-N 2.79Å; L1050-Q1054 WeakPolarHBondContact O-CB 3.35Å; L1050-Q1054 PolarHBondContact O-N 3.39Å
1051I77.2Confident72.7Confident84 Ų84116.9 Ų116.943%0.43153%0.53SS..Hα-helixtrans-64.7-41.7173.6-72.7168.2000111.1Y1047 K1048 E1049 Q1054 Q1055Y1047-I1051 HydrophobicContact CD1-CD1 3.72Å; Y1047-I1051 HydrophobicContact CD1-CG1 4.5Å; Y1047-I1051 HydrophobicContact CE1-CD1 3.61Å; Y1047-I1051 HydrophobicContact CE1-CG1 4.41Å; Y1047-I1051 WeakPolarHBondContact O-CG1 3.36Å; Y1047-I1051 PolarHBondContact O-N 3.37Å; Y1047-I1051 VanDerWaalsContact O-N 3.1Å; K1048-I1051 PolarHBondContact O-N 3.44Å; E1049-I1051 PolarHBondContact O-N 2.84Å; I1051-Q1054 PolarHBondContact O-N 2.92Å; I1051-Q1055 WeakPolarHBondContact O-CB 3.33Å; I1051-Q1055 PolarHBondContact O-N 3.16Å
1052Y74.7Confident73Confident133 Ų133117 Ų11752%0.52253%0.531SS..Hα-helixtrans-70-36.7-179.3-161.3-114.7000111.8K1048 E1049 Q1055 Q1056K1048-Y1052 WeakPolarHBondContact O-CB 3.42Å; K1048-Y1052 PolarHBondContact O-N 2.97Å; E1049-Y1052 PolarHBondContact O-N 3.42Å; Y1052-Q1055 PolarHBondContact O-N 3.26Å; Y1052-Q1056 VanDerWaalsContact CE1-NE2 3.34Å; Y1052-Q1056 WeakPolarHBondContact O-CG 3.41Å; Y1052-Q1056 PolarHBondContact O-N 3.43Å
1053Q76.2Confident73.1Confident130 Ų130117.9 Ų117.961%0.60754%0.536SS*.Hα-helixtrans-66.6-42.2172.2-172176.473.100111.5E1049 Q1055 Q1056 Q1057E1049-Q1053 VanDerWaalsContact O-CB 3.29Å; E1049-Q1053 WeakPolarHBondContact O-CB 3.3Å; E1049-Q1053 PolarHBondContact O-N 2.92Å; Q1053-Q1055 VanDerWaalsContact C-N 3.33Å; Q1053-Q1055 PolarHBondContact O-N 3.19Å; Q1053-Q1056 PolarHBondContact O-N 2.9Å; Q1053-Q1057 WeakPolarHBondContact O-CB 3.48Å; Q1053-Q1057 PolarHBondContact O-N 3.1Å
1054Q78.9Confident73.1Confident121 Ų121117.8 Ų117.857%0.56554%0.536SS*.Hα-helixtrans-61.5-39.7171.7179.9173.889.600111.8L1050 I1051 Q1057 Q1058L1050-Q1054 WeakPolarHBondContact O-CB 3.35Å; L1050-Q1054 PolarHBondContact O-N 3.39Å; I1051-Q1054 PolarHBondContact O-N 2.92Å; Q1054-Q1057 PolarHBondContact O-N 3.22Å; Q1054-Q1058 PolarHBondContact O-N 3.42Å
1055Q79.2Confident72.9Confident101 Ų101115.8 Ų115.847%0.47253%0.534SS..Hα-helixtrans-68.2-38.1176-176.1166.879.300112.2I1051 Y1052 Q1053 Q1057 Q1058 Q1059I1051-Q1055 WeakPolarHBondContact O-CB 3.33Å; I1051-Q1055 PolarHBondContact O-N 3.16Å; Y1052-Q1055 PolarHBondContact O-N 3.26Å; Q1053-Q1055 VanDerWaalsContact C-N 3.33Å; Q1053-Q1055 PolarHBondContact O-N 3.19Å; Q1055-Q1057 VanDerWaalsContact C-N 3.34Å; Q1055-Q1058 PolarHBondContact O-N 3.29Å; Q1055-Q1059 PolarHBondContact O-N 3.43Å
1056Q76.3Confident72.2Confident92 Ų92116.2 Ų116.243%0.4354%0.536SS..Hα-helixtrans-65.6-36.7169.9-75-170.719.100112.1Y1052 Q1053 Q1059 Q1060Y1052-Q1056 VanDerWaalsContact CE1-NE2 3.34Å; Y1052-Q1056 WeakPolarHBondContact O-CG 3.41Å; Y1052-Q1056 PolarHBondContact O-N 3.43Å; Q1053-Q1056 PolarHBondContact O-N 2.9Å; Q1056-Q1059 CarbonylContact O-C 3.47Å; Q1056-Q1059 PolarHBondContact O-N 3.16Å; Q1056-Q1060 WeakPolarHBondContact O-CG 3.29Å; Q1056-Q1060 PolarHBondContact O-N 2.99Å
1057Q75.7Confident71.5Confident124 Ų124115.5 Ų115.558%0.57953%0.533SS*.Hα-helixtrans-68.1-36.1177.2-161.2171.571.400111.6Q1053 Q1054 Q1055 Q1060 Q1061Q1053-Q1057 WeakPolarHBondContact O-CB 3.48Å; Q1053-Q1057 PolarHBondContact O-N 3.1Å; Q1054-Q1057 PolarHBondContact O-N 3.22Å; Q1055-Q1057 VanDerWaalsContact C-N 3.34Å; Q1057-Q1060 PolarHBondContact O-N 3.22Å; Q1057-Q1061 WeakPolarHBondContact O-CG 3.2Å; Q1057-Q1061 PolarHBondContact O-N 3.12Å
1058Q76.3Confident70.4Confident117 Ų117118.2 Ų118.255%0.54754%0.542SS..Hα-helixtrans-64.9-41.8167.4-76.6-173.5-11.400112.6Q1054 Q1055 Q1060 Q1061 Q1062Q1054-Q1058 PolarHBondContact O-N 3.42Å; Q1055-Q1058 PolarHBondContact O-N 3.29Å; Q1058-Q1060 VanDerWaalsContact C-N 3.32Å; Q1058-Q1060 PolarHBondContact O-N 2.71Å; Q1058-Q1061 PolarHBondContact O-N 2.97Å; Q1058-Q1062 PolarHBondContact O-N 3.28Å
1059Q77.1Confident69Low106 Ų106117.6 Ų117.650%0.49554%0.541SS..Hα-helixtrans-64.4-35174.2-75.9-172.80.400112.5Q1055 Q1056 Q1062 Q1063Q1055-Q1059 PolarHBondContact O-N 3.43Å; Q1056-Q1059 CarbonylContact O-C 3.47Å; Q1056-Q1059 PolarHBondContact O-N 3.16Å; Q1059-Q1062 PolarHBondContact O-N 2.94Å; Q1059-Q1063 WeakPolarHBondContact O-CB 3.5Å; Q1059-Q1063 WeakPolarHBondContact O-CG 3.47Å; Q1059-Q1063 PolarHBondContact O-N 3.4Å
1060Q75.6Confident67.7Low114 Ų114117 Ų11753%0.53354%0.542SS..Hα-helixtrans-68.8-35.4172.3-73.9-173.218.400112.3Q1056 Q1057 Q1058 Q1063 Q1064Q1056-Q1060 WeakPolarHBondContact O-CG 3.29Å; Q1056-Q1060 PolarHBondContact O-N 2.99Å; Q1057-Q1060 PolarHBondContact O-N 3.22Å; Q1058-Q1060 VanDerWaalsContact C-N 3.32Å; Q1058-Q1060 PolarHBondContact O-N 2.71Å; Q1060-Q1063 PolarHBondContact O-N 3.31Å; Q1060-Q1064 WeakPolarHBondContact O-CB 3.33Å; Q1060-Q1064 WeakPolarHBondContact O-CG 3.48Å; Q1060-Q1064 PolarHBondContact O-N 2.84Å
1061Q71.4Confident66Low124 Ų124118.3 Ų118.358%0.57955%0.545SS*.Hα-helixtrans-66.3-39.3171.2-74.5-175.82.800112.2Q1057 Q1058 Q1064 Q1065Q1057-Q1061 WeakPolarHBondContact O-CG 3.2Å; Q1057-Q1061 PolarHBondContact O-N 3.12Å; Q1058-Q1061 PolarHBondContact O-N 2.97Å; Q1061-Q1064 PolarHBondContact O-N 3.4Å; Q1061-Q1065 PolarHBondContact O-N 3.39Å
1062Q72.2Confident64.1Low121 Ų121121.4 Ų121.457%0.56556%0.562SS**Hα-helixtrans-65.2-41.1172.8-73.3-177.8-6.200112.1Q1058 Q1059 Q1064 Q1065 Q1066Q1058-Q1062 PolarHBondContact O-N 3.28Å; Q1059-Q1062 PolarHBondContact O-N 2.94Å; Q1062-Q1064 VanDerWaalsContact C-N 3.35Å; Q1062-Q1064 PolarHBondContact O-N 3.08Å; Q1062-Q1065 PolarHBondContact O-N 3.2Å; Q1062-Q1066 PolarHBondContact O-N 2.71Å
1063Q70.6Confident62Low106 Ų106122 Ų12250%0.49557%0.574SS.*Hα-helixtrans-67.9-31.6173.7-73.6-178.220.700112.7Q1059 Q1060 Q1067Q1059-Q1063 WeakPolarHBondContact O-CB 3.5Å; Q1059-Q1063 WeakPolarHBondContact O-CG 3.47Å; Q1059-Q1063 PolarHBondContact O-N 3.4Å; Q1060-Q1063 PolarHBondContact O-N 3.31Å; Q1063-Q1067 VanDerWaalsContact O-CB 3.29Å; Q1063-Q1067 WeakPolarHBondContact O-CB 3.49Å; Q1063-Q1067 VanDerWaalsContact O-CG 3.28Å; Q1063-Q1067 WeakPolarHBondContact O-CG 3.44Å; Q1063-Q1067 PolarHBondContact O-N 3.43Å
1064Q64.2Low59.8Low124 Ų124119.4 Ų119.458%0.57957%0.57SS**Hα-helixtrans-73.6-25.7170.8-76.2-175.422.700113Q1060 Q1061 Q1062 R1068Q1060-Q1064 WeakPolarHBondContact O-CB 3.33Å; Q1060-Q1064 WeakPolarHBondContact O-CG 3.48Å; Q1060-Q1064 PolarHBondContact O-N 2.84Å; Q1061-Q1064 PolarHBondContact O-N 3.4Å; Q1062-Q1064 VanDerWaalsContact C-N 3.35Å; Q1062-Q1064 PolarHBondContact O-N 3.08Å; Q1064-R1068 WeakPolarHBondContact O-CB 3.42Å; Q1064-R1068 WeakPolarHBondContact O-CG 3.39Å; Q1064-R1068 PolarHBondContact O-N 2.81Å
1065Q62Low57.5Low130 Ų130119 Ų11961%0.60758%0.58SS**Hα-helixtrans-72-45.8168.5-78.2-178.4-19.400111.1Q1061 Q1062 R1068 E1069Q1061-Q1065 PolarHBondContact O-N 3.39Å; Q1062-Q1065 PolarHBondContact O-N 3.2Å; Q1065-R1068 CarbonylContact O-C 2.92Å; Q1065-R1068 WeakPolarHBondContact O-CA 3.38Å; Q1065-R1068 WeakPolarHBondContact O-CB 3.33Å; Q1065-R1068 PolarHBondContact O-N 2.86Å; Q1065-E1069 PolarHBondContact O-N 3.23Å
1066Q55.1Low55.1Low118 Ų118123.9 Ų123.955%0.55160%0.6SS**Hα-helixtrans-63-43174.6-72-179.4-33.300112.1Q1062 R1068 E1069 D1070Q1062-Q1066 PolarHBondContact O-N 2.71Å; Q1066-R1068 VanDerWaalsContact C-N 3.26Å; Q1066-R1068 PolarHBondContact O-N 3.44Å; Q1066-E1069 PolarHBondContact O-N 3.43Å; Q1066-D1070 PolarHBondContact O-N 3.36Å
1067Q51.6Low53.1Low89 Ų89123.8 Ų123.842%0.41661%0.61SS.*Hα-helixtrans-65.9-26.4172.1-73.7175.68.300112.6Q1063 H1071Q1063-Q1067 VanDerWaalsContact O-CB 3.29Å; Q1063-Q1067 WeakPolarHBondContact O-CB 3.49Å; Q1063-Q1067 VanDerWaalsContact O-CG 3.28Å; Q1063-Q1067 WeakPolarHBondContact O-CG 3.44Å; Q1063-Q1067 PolarHBondContact O-N 3.43Å; Q1067-H1071 WeakPolarHBondContact O-CB 2.99Å; Q1067-H1071 PolarHBondContact O-CD2 2.89Å; Q1067-H1071 PolarHBondContact O-N 3.2Å
1068R46.6Very low51.2Low190 Ų190124.7 Ų124.772%0.71762%0.623SS**Hα-helixtrans-69.8-39.1167.8-90.2-177.8162.9-152.4-5.7112Q1064 Q1065 Q1066 H1071 L1072Q1064-R1068 WeakPolarHBondContact O-CB 3.42Å; Q1064-R1068 WeakPolarHBondContact O-CG 3.39Å; Q1064-R1068 PolarHBondContact O-N 2.81Å; Q1065-R1068 CarbonylContact O-C 2.92Å; Q1065-R1068 WeakPolarHBondContact O-CA 3.38Å; Q1065-R1068 WeakPolarHBondContact O-CB 3.33Å; Q1065-R1068 PolarHBondContact O-N 2.86Å; Q1066-R1068 VanDerWaalsContact C-N 3.26Å; Q1066-R1068 PolarHBondContact O-N 3.44Å; R1068-H1071 PolarHBondContact O-N 3.42Å; R1068-L1072 VanDerWaalsContact O-CB 3.24Å; R1068-L1072 WeakPolarHBondContact O-CB 3.34Å; R1068-L1072 WeakPolarHBondContact O-CD1 3.26Å; R1068-L1072 WeakPolarHBondContact O-CG 3.5Å; R1068-L1072 PolarHBondContact O-N 3.46Å
1069E43.3Very low48.9Very low119 Ų119122.6 Ų122.656%0.55663%0.627SS**Hα-helixtrans-66.6-36.5175.1-68.2175.914700111.8Q1065 Q1066 N1073Q1065-E1069 PolarHBondContact O-N 3.23Å; Q1066-E1069 PolarHBondContact O-N 3.43Å; E1069-N1073 PolarHBondContact O-ND2 3.27Å
1070D43.2Very low46.7Very low109 Ų109125.8 Ų125.858%0.58364%0.641SS**Hα-helixtrans-70.2-42172.5-70.6-35000112.5Q1066 N1073 S1074Q1066-D1070 PolarHBondContact O-N 3.36Å; D1070-N1073 PolarHBondContact O-N 2.83Å; D1070-S1074 PolarHBondContact O-OG 2.8Å
1071H39.7Very low44.7Very low133 Ų133127.6 Ų127.662%0.61666%0.655SS**Hα-helixtrans-77.9-21.2179.2-67.6-38.4000114Q1067 R1068 N1073 S1074Q1067-H1071 WeakPolarHBondContact O-CB 2.99Å; Q1067-H1071 PolarHBondContact O-CD2 2.89Å; Q1067-H1071 PolarHBondContact O-N 3.2Å; R1068-H1071 PolarHBondContact O-N 3.42Å; H1071-N1073 PolarHBondContact O-N 2.84Å; H1071-S1074 PolarHBondContact O-N 3.32Å
1072L36Very low42.5Very low149 Ų149129.5 Ų129.578%0.7867%0.669SS**THydrogen-bonded Turntrans-69.7-15.5168.7-78.4166.2000112.8R1068R1068-L1072 VanDerWaalsContact O-CB 3.24Å; R1068-L1072 WeakPolarHBondContact O-CB 3.34Å; R1068-L1072 WeakPolarHBondContact O-CD1 3.26Å; R1068-L1072 WeakPolarHBondContact O-CG 3.5Å; R1068-L1072 PolarHBondContact O-N 3.46Å
1073N31.5Very low40.4Very low146 Ų146128.1 Ų128.178%0.78168%0.678SS**THydrogen-bonded Turntrans-95.47.5174.9-78.8-70.1000114.1E1069 D1070 H1071E1069-N1073 PolarHBondContact O-ND2 3.27Å; D1070-N1073 PolarHBondContact O-N 2.83Å; H1071-N1073 PolarHBondContact O-N 2.84Å
1074S28.7Very low38.4Very low75 Ų75128.5 Ų128.552%0.52469%0.692SS.*SBendtrans-147.469.8-173.148.40000116D1070 H1071D1070-S1074 PolarHBondContact O-OG 2.8Å; H1071-S1074 PolarHBondContact O-N 3.32Å
1075S30.8Very low36.6Very low111 Ų111130.8 Ų130.878%0.77670%0.701SS**  trans171.183.2137.6178.50000113.4
1076F29.5Very low35.1Very low204 Ų204134.3 Ų134.390%0.89571%0.71SS**  trans-95.689.6158.7-173.9-86.2000109.4
1077S34.6Very low34Very low90 Ų90132.3 Ų132.363%0.62972%0.721SS**  trans177117.2145.229.20000113.8
1078V35.2Very low33Very low143 Ų143132.8 Ų132.887%0.86773%0.734SS**  67.3124128178.30000119.2
1079A29.1Very low32.2Very low74 Ų74132.7 Ų132.761%0.61274%0.742SS**  trans-76.3-168.916700000110.4
1080E30.3Very low31.6Very low173 Ų173130.8 Ų130.881%0.80875%0.754SS**  cis-172179.237.8-146.4140.3-128.300111.1
1081D32.9Very low31Very low151 Ų151129.7 Ų129.781%0.80777%0.769SS**  trans72.6139160.2-73.3-21.6000124.1
1082N26.6Very low30.6Very low164 Ų164127.5 Ų127.588%0.87778%0.782SS**  trans-101.8135.4169.8-70.2-84.3000110.2
1083A27.2Very low30.3Very low92 Ų92125.8 Ų125.876%0.7678%0.782SS**  trans-163.494.2148.800000115.3
1084S27.5Very low30.4Very low114 Ų114125.8 Ų125.880%0.79778%0.781SS**  trans68.4152.6140.1790000123.1
1085F27Very low30.6Very low173 Ų173131.8 Ų131.876%0.75979%0.794SS**  trans72.4105.2142.7-116.1-117000122.7
1086Y30.7Very low30.4Very low203 Ų203132.9 Ų132.980%0.79679%0.791SS**  trans69.8130.5145.8-86-109.8000122.2
1087G31.7Very low30.5Very low76 Ų76129.2 Ų129.278%0.78478%0.776SS**  trans91.9138.7154.600000116.8
1088S31.5Very low30.3Very low100 Ų100133.8 Ų133.870%0.69978%0.781SS**  cis161.1105.8-31.8165.50000107.6
1089H28.9Very low30Very low187 Ų187134.1 Ų134.187%0.86677%0.773SS**  trans61.6142172.6-54.9-62.8000118
1090G30.1Very low30Very low80 Ų80134.1 Ų134.183%0.82577%0.768SS**  cis156.8160.2-9.500000113.7
1091G31.2Very low29.9Very low86 Ų86136.2 Ų136.289%0.88777%0.771SS**  trans114.6151.616700000116
1092G31Very low30Very low87 Ų87134.4 Ų134.490%0.89777%0.767SS**  trans107.8121.3175.500000114.4
1093S30.2Very low29.8Very low112 Ų112134.4 Ų134.478%0.78377%0.766SS**  trans-132.8147.5172.8174.60000108.3
1094I34.4Very low29.8Very low147 Ų147135.1 Ų135.175%0.75477%0.766SS**  trans179.6135.5138.3-96.4154.7000112.3
1095Y31.7Very low29.7Very low201 Ų201135.5 Ų135.579%0.78877%0.768SS**  trans50.5122.1163.8-74.7-52.6000124
1096N27.6Very low29.5Very low134 Ų134131.9 Ų131.972%0.71777%0.77SS**  trans61.1146.1133.4-77.222.3000120.4
1097Q30.7Very low29.2Very low126 Ų126132.5 Ų132.559%0.58977%0.771SS**  cis-172.4154.96.9147.1175.93.700111.6
1098Y30.7Very low29Very low186 Ų186133.1 Ų133.173%0.72976%0.764SS**  trans69.5126170.2-69.4-38.8000121.8
1099Q28.7Very low28.7Very low151 Ų151133 Ų13371%0.70676%0.755SS**  trans56.1149.5130.2-59.5-148.654.600122.6
1100S29.7Very low28.6Very low73 Ų73129.1 Ų129.151%0.5175%0.749SS.*  cis-165.1106.6-20.6-94.40000111.9
1101Y28Very low28.3Very low218 Ų218133.3 Ų133.386%0.85575%0.752SS**  trans63.2169.3138.4-61.3-64.6000119.5
1102P35.6Very low28.2Very low112 Ų112136.6 Ų136.673%0.72775%0.748SS**  -140.3-172.9-88.637.7-15.6000115.2
1103L22.8Very low28.1Very low165 Ų165139.6 Ų139.686%0.86474%0.744SS**  trans-123.6138.8151.6-80.1174.1000111.1
1104S26Very low28Very low107 Ų107137.9 Ų137.975%0.74874%0.744SS**  trans68.1147.8155.1-63.20000121.8
1105S24.8Very low27.7Very low122 Ų122138.5 Ų138.585%0.85375%0.749SS**  trans78.3140.9161.179.80000118.5
1106A23.2Very low27.6Very low97 Ų97132.4 Ų132.480%0.80275%0.747SS**  trans-83.3139.3-17300000113
1107R25.4Very low27.6Very low215 Ų215136.7 Ų136.781%0.81175%0.753SS**  trans-163.4120.8144.6-115.1165.2-174.31635.3114.6
1108S26.8Very low27.8Very low90 Ų90137.7 Ų137.763%0.62976%0.763SS**  64.199125.3-1780000120.2
1109L25.5Very low27.9Very low97 Ų97133.8 Ų133.851%0.50876%0.763SS.*  66.4126.7127.2-55.5169.9000121Q1171L1109-Q1171 HydrophobicContact CD1-CB 4.3Å; L1109-Q1171 HydrophobicContact CD1-CG 3.97Å
1110S26.8Very low28Very low106 Ų106138.5 Ų138.574%0.74177%0.774SS**  52.183125.2-48.70000119.1
1111N24.5Very low27.7Very low168 Ų168141.3 Ų141.390%0.89879%0.792SS**  trans-98.173.5152.3-97.5-40.1000111
1112L27.2Very low27.7Very low154 Ų154134 Ų13481%0.80678%0.783SS**  trans-145.483.5158.6-82.4-172.7000110.4
1113N30Very low27.5Very low151 Ų151134.3 Ų134.381%0.80779%0.785SS**  -173.4148.194.9-88.9-19.4000111.6
1114G27.6Very low27.8Very low75 Ų75137.8 Ų137.877%0.77379%0.788SS**  trans-78.9144.9162.300000110.7
1115D27.6Very low27.9Very low160 Ų160142.6 Ų142.686%0.85679%0.791SS**  trans-61.7132-177.3-99.6-57.2000114.3
1116G29.6Very low28.1Very low74 Ų74141.6 Ų141.676%0.76379%0.791SS**  trans-109-17.4-179.200000116.8
1117R29.3Very low28.4Very low223 Ų223140.8 Ų140.884%0.84279%0.792SS**  trans67.4156.5170.7-60.2-177.6172-178-2.5120.1
1118N33.3Very low28.7Very low148 Ų148134.8 Ų134.879%0.79178%0.783SS**  trans6496.1171.8-71.9-9000116.7
1119S32.6Very low29Very low104 Ų104139.2 Ų139.273%0.72779%0.794SS**  cis77.6111.646.8-480000115.4
1120R31.8Very low29.1Very low250 Ų250140 Ų14094%0.94381%0.806SS**  177.494.8120.1-94.5170.6-165.5-119.73.8112
1121C23.9Very low29Very low131 Ų131138.3 Ų138.389%0.88581%0.805SS**SBend-119.8151.6119-161.80000106.6
1122G27.3Very low29.3Very low64 Ų64137.6 Ų137.666%0.6680%0.8SS**PPolyproline II helixtrans-81.7130.8-164.100000113.9
1123P32.5Very low29.4Very low120 Ų120137.7 Ų137.778%0.77980%0.802SS**PPolyproline II helixtrans-80.7125.8165.832-30.6000110.2
1124Y29.1Very low29.5Very low237 Ų237136.3 Ų136.393%0.92979%0.793SS**PPolyproline II helixtrans-77.9123.3157.9-84.1-81.7000108.7
1125Y27.1Very low29.5Very low208 Ų208143.3 Ų143.382%0.81680%0.796SS**  trans-133.697.8176.9-154.6-80000109.5
1126A29.5Very low29.5Very low102 Ų102139.9 Ų139.984%0.84379%0.79SS**  trans-151.9142.6171.600000108
1127G29.4Very low29.5Very low79 Ų79141 Ų14181%0.81479%0.793SS**  trans94.265179.800000114.7
1128S32.5Very low29.6Very low90 Ų90134 Ų13463%0.62978%0.782SS**  trans-82.4163.1137.8-77.30000109
1129E31.8Very low29.6Very low183 Ų183134.5 Ų134.586%0.85579%0.785SS**  trans103.3142.4156.8-59.2179.2-124.300116.2
1130C26.9Very low29.6Very low114 Ų114134.7 Ų134.777%0.7779%0.793SS**  cis-166.4163.8-28.462.90000108.7
1131G26.5Very low29.6Very low70 Ų70127.3 Ų127.372%0.72279%0.785SS**  trans77.6141.9162.400000117.4
1132L30.3Very low30.6Very low152 Ų152127 Ų12780%0.79678%0.781SS**  -178.582.5129.2-101170.7000110.1
1133D28.2Very low30.8Very low157 Ų157129 Ų12984%0.8479%0.785SS**  trans-76.9109146.9-84.5-56.1000107.2
1134I32.4Very low31.1Very low122 Ų122129 Ų12963%0.62678%0.783SS**  trans-165.2156.3147.9-101.9151.9000110.7R1196I1134-R1196 VanDerWaalsContact O-CZ 3.22Å; I1134-R1196 PolarHBondContact O-NH1 3.22Å; I1134-R1196 PolarHBondContact O-NH2 3.37Å
1135R28.9Very low31.3Very low222 Ų222129 Ų12984%0.83878%0.783SS**  trans-63.4157.6-157.4-56.6168.1-179.3106.92.4117.2
1136A26.7Very low31.6Very low88 Ų88122.8 Ų122.873%0.72778%0.783SS**  trans-150.3146.813700000105.4
1137A30.2Very low31.7Very low98 Ų98121.5 Ų121.581%0.8178%0.779SS**  cis-120.1-165.40.400000109.2
1138A31.4Very low32.1Very low76 Ų76124.4 Ų124.463%0.62878%0.781SS**  cis-154.7169.911.200000113.4
1139D32.3Very low32.1Very low157 Ų157125 Ų12584%0.8479%0.792SS**  trans68.3151.5152.6-55.3-23.5000123.3
1140A32.3Very low32.2Very low109 Ų109119.4 Ų119.490%0.90178%0.782SS**  trans78145.5172.400000119.1
1141A32.2Very low32.7Very low95 Ų95121.5 Ų121.579%0.78579%0.792SS**  trans-87.5166.4-167.300000113.9
1142P44.7Very low32.9Very low123 Ų123123.3 Ų123.380%0.79980%0.8SS**  trans-92.6146.6-162.334.8-35.1000115.5
1143S33Very low33.2Very low107 Ų107118.9 Ų118.975%0.74879%0.791SS**  170.5169.4112.564.40000114.2
1144T37Very low33.9Very low119 Ų119117.8 Ų117.873%0.7379%0.793SS**  trans7993.4146.3-49.90000120.7
1145Y33.8Very low34.2Very low238 Ų238118 Ų11893%0.93380%0.799SS**  trans58.7114.9132.9-100.2-99.3000123.7
1146G33Very low34.7Very low78 Ų78113.1 Ų113.180%0.80480%0.795SS**  103.6154.412300000119.9
1147G33.2Very low35.3Very low75 Ų75116.3 Ų116.377%0.77380%0.799SS**  trans131.717.2143.100000124.1
1148V36Very low35.8Very low139 Ų139117.3 Ų117.384%0.84280%0.795SS**  trans38.6110.6151.4-177.10000120.8
1149A33.3Very low36.1Very low104 Ų104118.1 Ų118.186%0.8680%0.802SS**  trans67.1137142.200000123.2
1150G33.4Very low36.7Very low64 Ų64117 Ų11766%0.6680%0.801SS**  trans179102.9164.100000116
1151T38.2Very low37Very low158 Ų158115.7 Ų115.797%0.96979%0.79SS**  trans76151.8170.973.80000118.8
1152A31.5Very low37.6Very low108 Ų108121.2 Ų121.289%0.89379%0.791SS**  trans-144.4145.2-17400000111.7
1153G35.8Very low37.5Very low59 Ų59120.5 Ų120.561%0.60879%0.786SS**  trans-138.5155.2169.500000109.9V1155G1153-V1155 PolarHBondContact O-N 2.84Å
1154P41.9Very low38.2Very low135 Ų135121.3 Ų121.388%0.87779%0.788SS**  trans-75.2123.6-166.829-34.5000112.8
1155V38.6Very low39.2Very low125 Ų125125.9 Ų125.976%0.75879%0.792SS**  trans-88.7124.2170.3-1770000109.4G1153 N1157G1153-V1155 PolarHBondContact O-N 2.84Å; V1155-N1157 PolarHBondContact O-N 3.41Å
1156T40.9Very low40.2Very low121 Ų121124 Ų12474%0.74278%0.784SS**  trans-74.9104.2174.340.80000110.9T1158T1156-T1158 VanDerWaalsContact C-N 3.32Å; T1156-T1158 PolarHBondContact O-N 3.17Å
1157N38.4Very low41.2Very low155 Ų155132 Ų13283%0.82979%0.79SS**  trans-73.879.5175.1-88.3-20.9000112V1155 A1159V1155-N1157 PolarHBondContact O-N 3.41Å; N1157-A1159 PolarHBondContact O-N 3.1Å
1158T41.2Very low43Very low118 Ų118133.2 Ų133.272%0.72478%0.782SS**  trans-78.771.8169.3-31.60000110.1T1156 V1160T1156-T1158 VanDerWaalsContact C-N 3.32Å; T1156-T1158 PolarHBondContact O-N 3.17Å; T1158-V1160 PolarHBondContact O-N 3.41Å
1159A38Very low44Very low94 Ų94132.1 Ų132.178%0.77778%0.778SS**  trans-68.890.1178.600000111N1157 A1161N1157-A1159 PolarHBondContact O-N 3.1Å; A1159-A1161 PolarHBondContact O-N 2.92Å; A1159-A1161 VanDerWaalsContact O-N 3.09Å
1160V44.3Very low45.5Very low132 Ų132134 Ų13480%0.877%0.772SS**  trans-60.4113.7176.5179.60000109.4T1158 R1162T1158-V1160 PolarHBondContact O-N 3.41Å; V1160-R1162 PolarHBondContact O-N 2.68Å
1161A38.9Very low47Very low82 Ų82136.8 Ų136.868%0.67877%0.768SS**  trans-61.9107.1-177.500000110.8A1159 P1163A1159-A1161 PolarHBondContact O-N 2.92Å; A1159-A1161 VanDerWaalsContact O-N 3.09Å; A1161-P1163 WeakPolarHBondContact O-CD 3.1Å
1162R43.8Very low48.3Very low212 Ų212134.8 Ų134.880%0.875%0.747SS**PPolyproline II helixtrans-62.1121.1178.7-162.1-179.5-148.4161.710.4109.1V1160V1160-R1162 PolarHBondContact O-N 2.68Å
1163P42.6Very low50.1Low107 Ų107134.6 Ų134.670%0.69574%0.739SS**PPolyproline II helixtrans-56.2144.9179.8-27.535.6000111.7A1161 R1165A1161-P1163 WeakPolarHBondContact O-CD 3.1Å; P1163-R1165 PolarHBondContact O-N 3.49Å
1164P48.7Very low51.6Low124 Ų124141 Ų14181%0.80575%0.745SS**PPolyproline II helixtrans-54.7125.4-178.4-26.534.7000111.7R1166P1164-R1166 PolarHBondContact O-N 3.43Å; P1164-R1166 VanDerWaalsContact O-N 3.16Å
1165R57.7Low53.1Low216 Ų216136.7 Ų136.782%0.81572%0.716SS**PPolyproline II helixtrans-54.2123173.4-89.7179.8161.3155.5-7.4108.8P1163 R1167P1163-R1165 PolarHBondContact O-N 3.49Å; R1165-R1167 PolarHBondContact O-N 2.9Å
1166R54.1Low54.9Low198 Ų198135.8 Ų135.875%0.74770%0.703SS**PPolyproline II helixtrans-53.4122.6177.8-79.4-178.3167.8-108.6-2.9109.4P1164 T1168P1164-R1166 PolarHBondContact O-N 3.43Å; P1164-R1166 VanDerWaalsContact O-N 3.16Å; R1166-T1168 VanDerWaalsContact C-N 3.28Å
1167R55.6Low57Low247 Ų247134.7 Ų134.793%0.93269%0.693SS**  trans-80.8-5.1176.2-79.7-173.6163.4-149.6-4.3113.8R1165R1165-R1167 PolarHBondContact O-N 2.9Å
1168T70Confident59.3Low100 Ų100131 Ų13161%0.61368%0.676SS**SBendtrans-63.2126170.3-40.90000109.2R1166R1166-T1168 VanDerWaalsContact C-N 3.28Å
1169P56.5Low61.5Low116 Ų116128 Ų12875%0.75366%0.663SS**PPolyproline II helixtrans-56.1141.7170.9-24.334.6000111Q1171P1169-Q1171 PolarHBondContact O-N 3.06Å
1170L66Low64Low142 Ų142126.6 Ų126.674%0.74365%0.647SS**PPolyproline II helixtrans-68.8126.4165.6-65.5172.9000107.8F1172L1170-F1172 WeakPolarHBondContact CB-O 3.19Å; L1170-F1172 PolarHBondContact O-N 3.3Å; L1170-F1172 VanDerWaalsContact O-N 3.16Å
1171Q65.4Low65.9Low124 Ų124127.1 Ų127.158%0.57964%0.636SS**SBendtrans-55.5-33.4177.6-170.9-168.712.500111.7L1109 P1169L1109-Q1171 HydrophobicContact CD1-CB 4.3Å; L1109-Q1171 HydrophobicContact CD1-CG 3.97Å; P1169-Q1171 PolarHBondContact O-N 3.06Å
1172F65Low67.9Low116 Ų116124.9 Ų124.951%0.50962%0.617SS.*  trans-127119.8171-51.3-75000108.5L1170 R1174 H1176L1170-F1172 WeakPolarHBondContact CB-O 3.19Å; L1170-F1172 PolarHBondContact O-N 3.3Å; L1170-F1172 VanDerWaalsContact O-N 3.16Å; F1172-R1174 VanDerWaalsContact C-N 3.32Å; F1172-H1176 AromaticContact CD2-CE1 3.69Å; F1172-H1176 AromaticContact CD2-ND1 3.73Å; F1172-H1176 AromaticContact CG-ND1 3.81Å
1173S68.8Low69.6Low104 Ų104117 Ų11773%0.72759%0.59SS**SBendtrans-79.8-15.2178.154.50000113.5
1174R68Low71.3Confident194 Ų194112.2 Ų112.273%0.73256%0.559SS**SBendtrans-118.7145.4173.9-55.4178.695.1160.13.6108.2F1172F1172-R1174 VanDerWaalsContact C-N 3.32Å
1175P73.6Confident73Confident43 Ų43109 Ų10928%0.27954%0.535SS..  trans-66.7146.9172.435.6-40000109.1P1191 Y1193 L1199P1175-P1191 HydrophobicContact CB-CB 3.58Å; P1175-P1191 HydrophobicContact CB-CG 3.65Å; P1175-P1191 HydrophobicContact CG-CB 3.71Å; P1175-P1191 HydrophobicContact CG-CG 3.8Å; P1175-Y1193 WeakPolarHBondContact CD-OH 3.29Å; P1175-Y1193 HydrophobicContact CG-CE2 3.82Å; P1175-L1199 HydrophobicContact CB-CD1 4.34Å; P1175-L1199 HydrophobicContact CB-CD2 4.3Å; P1175-L1199 HydrophobicContact CG-CD2 3.78Å
1176H75.9Confident74.4Confident106 Ų10699.6 Ų99.649%0.49150%0.501SS..  trans-112.7153.6-175.945.9-100.2000111.5F1172 V1178F1172-H1176 AromaticContact CD2-CE1 3.69Å; F1172-H1176 AromaticContact CD2-ND1 3.73Å; F1172-H1176 AromaticContact CG-ND1 3.81Å; H1176-V1178 PolarHBondContact O-N 3Å
1177L83.8Confident76Confident98 Ų9892.9 Ų92.951%0.51348%0.479SS..  trans-58.2127.7168.9-174.182.9000109.4A1179 K1188 K1190L1177-A1179 HydrophobicContact CD2-CB 4.39Å; L1177-K1188 HydrophobicContact CD1-CB 4.3Å; L1177-K1190 HydrophobicContact CD1-CB 4.5Å; L1177-K1190 HydrophobicContact CD1-CG 3.56Å
1178V86.6Confident77.6Confident79 Ų7983.7 Ų83.748%0.47945%0.446SS..EExtended strand (participates in β ladder)trans-105.5120.9165.9-178.50000107.5H1176 K1188 V1189H1176-V1178 PolarHBondContact O-N 3Å; V1178-K1188 CarbonylContact O-C 3.59Å; V1178-K1188 WeakPolarHBondContact O-CA 3.39Å; V1178-V1189 HydrophobicContact CB-CB 4.22Å; V1178-V1189 HydrophobicContact CB-CG2 4.47Å; V1178-V1189 PolarHBondContact N-O 3.22Å; V1178-V1189 PolarHBondContact O-N 2.72Å
1179A89.1Confident78.5Confident55 Ų5580.8 Ų80.846%0.45543%0.428SS..EExtended strand (participates in β ladder)trans-123.6134.3178.400000110.4L1177 L1186 L1187L1177-A1179 HydrophobicContact CD2-CB 4.39Å; A1179-L1186 HydrophobicContact CB-CD1 4.32Å; A1179-L1187 CarbonylContact C-O 3.35Å; A1179-L1187 VanDerWaalsContact CA-O 3.26Å; A1179-L1187 WeakPolarHBondContact CA-O 3.34Å
1180S89Confident79.8Confident64 Ų6479.6 Ų79.645%0.44841%0.411SS..EExtended strand (participates in β ladder)trans-139.4150.2179-166.20000111.3L1187S1180-L1187 PolarHBondContact N-O 3.41Å; S1180-L1187 PolarHBondContact O-N 3Å
1181Y86Confident80.4Confident143 Ų14374.2 Ų74.256%0.56139%0.385SS*.EExtended strand (participates in β ladder)trans-104.8128.6173.4-70.8-83.1000109.6L1185 L1186 P1208Y1181-L1185 WeakPolarHBondContact CA-O 3.48Å; Y1181-L1186 HydrophobicContact CD1-CB 4.17Å; Y1181-L1186 HydrophobicContact CD1-CD1 4.15Å; Y1181-L1186 HydrophobicContact CD2-CD1 4.45Å; Y1181-L1186 HydrophobicContact CE1-CB 3.98Å; Y1181-L1186 HydrophobicContact CE1-CD1 3.88Å; Y1181-L1186 HydrophobicContact CE1-CD2 4.22Å; Y1181-L1186 HydrophobicContact CE1-CG 4.24Å; Y1181-L1186 HydrophobicContact CE2-CD1 4.2Å; Y1181-L1186 HydrophobicContact CG-CD1 4.43Å; Y1181-P1208 HydrophobicContact CE1-CB 4.31Å
1182A80.9Confident80.7Confident34 Ų3474 Ų7428%0.28138%0.382SS..EExtended strand (participates in β ladder)trans-140.4118.8175.400000109.6S1184 L1185 L1187A1182-S1184 PolarHBondContact O-N 3.38Å; A1182-L1185 PolarHBondContact N-O 2.92Å; A1182-L1185 WeakPolarHBondContact O-CB 3.39Å; A1182-L1185 PolarHBondContact O-N 3.17Å; A1182-L1187 HydrophobicContact CB-CD1 3.87Å
1183M77.5Confident80.8Confident46 Ų4675.2 Ų75.223%0.22738%0.384CS..THydrogen-bonded Turntrans39.259.3-179.6-63.5-164.2-70.600113.7L1185 R1626 H1630 I2127M1183-L1185 PolarHBondContact O-N 3.49Å; M1183-R1626 HydrophobicContact SD-CB 3.96Å; M1183-H1630 WeakPolarHBondContact CE-NE2 3.32Å; M1183-I2127 HydrophobicContact CG-CD1 4.33Å; M1183-I2127 HydrophobicContact CG-CG2 3.76Å
1184S79.4Confident80.7Confident7 Ų773 Ų735%0.04937%0.372CS..THydrogen-bonded Turntrans61.419-179.580.90000116.6A1182 P1208 L1586 G1589 H1591A1182-S1184 PolarHBondContact O-N 3.38Å; S1184-P1208 WeakPolarHBondContact O-CD 3.47Å; S1184-L1586 WeakPolarHBondContact CB-O 3.42Å; S1184-G1589 WeakPolarHBondContact OG-CA 3.26Å; S1184-H1591 PolarHBondContact OG-NE2 3.05Å
1185L83.4Confident80.1Confident56 Ų5666 Ų6629%0.29336%0.36SS..EExtended strand (participates in β ladder)trans-109.5137.6165.2-60175000109.8Y1181 A1182 M1183 V1205 P1207Y1181-L1185 WeakPolarHBondContact CA-O 3.48Å; A1182-L1185 PolarHBondContact N-O 2.92Å; A1182-L1185 WeakPolarHBondContact O-CB 3.39Å; A1182-L1185 PolarHBondContact O-N 3.17Å; M1183-L1185 PolarHBondContact O-N 3.49Å; L1185-V1205 HydrophobicContact CB-CG1 4.27Å; L1185-V1205 HydrophobicContact CD1-CG1 4.04Å; L1185-P1207 HydrophobicContact CD2-CB 4.45Å
1186L87.3Confident79.1Confident20 Ų2072.2 Ų72.211%0.10538%0.378CS..EExtended strand (participates in β ladder)trans-98.2106.7169.5175.854.1000108.2A1179 Y1181 K1188 A1206A1179-L1186 HydrophobicContact CB-CD1 4.32Å; Y1181-L1186 HydrophobicContact CD1-CB 4.17Å; Y1181-L1186 HydrophobicContact CD1-CD1 4.15Å; Y1181-L1186 HydrophobicContact CD2-CD1 4.45Å; Y1181-L1186 HydrophobicContact CE1-CB 3.98Å; Y1181-L1186 HydrophobicContact CE1-CD1 3.88Å; Y1181-L1186 HydrophobicContact CE1-CD2 4.22Å; Y1181-L1186 HydrophobicContact CE1-CG 4.24Å; Y1181-L1186 HydrophobicContact CE2-CD1 4.2Å; Y1181-L1186 HydrophobicContact CG-CD1 4.43Å; L1186-K1188 HydrophobicContact CD1-CG 4.35Å; L1186-K1188 VanDerWaalsContact CD2-CE 3.43Å; L1186-K1188 HydrophobicContact CG-CG 4Å; L1186-A1206 PolarHBondContact N-O 3.11Å; L1186-A1206 PolarHBondContact O-N 3.26Å; L1186-A1206 VanDerWaalsContact O-N 3.14Å
1187L89.2Confident78.6Confident56 Ų5670.7 Ų70.729%0.29339%0.391SS..EExtended strand (participates in β ladder)trans-84.4128.1169.7-65.3106.5000109A1179 S1180 A1182 E1204 V1205A1179-L1187 CarbonylContact C-O 3.35Å; A1179-L1187 VanDerWaalsContact CA-O 3.26Å; A1179-L1187 WeakPolarHBondContact CA-O 3.34Å; S1180-L1187 PolarHBondContact N-O 3.41Å; S1180-L1187 PolarHBondContact O-N 3Å; A1182-L1187 HydrophobicContact CB-CD1 3.87Å; L1187-E1204 CarbonylContact C-O 3.57Å; L1187-E1204 WeakPolarHBondContact CA-O 3.26Å; L1187-V1205 HydrophobicContact CD2-CG2 3.98Å; L1187-V1205 HydrophobicContact CG-CG2 4.27Å
1188K89.2Confident77.5Confident54 Ų5475.6 Ų75.624%0.23540%0.403CS..EExtended strand (participates in β ladder)trans-125116.1172.9-46.6175-163.3156.60109.4L1177 V1178 L1186 E1204L1177-K1188 HydrophobicContact CD1-CB 4.3Å; V1178-K1188 CarbonylContact O-C 3.59Å; V1178-K1188 WeakPolarHBondContact O-CA 3.39Å; L1186-K1188 HydrophobicContact CD1-CG 4.35Å; L1186-K1188 VanDerWaalsContact CD2-CE 3.43Å; L1186-K1188 HydrophobicContact CG-CG 4Å; K1188-E1204 HydrophobicContact CB-CB 4.26Å; K1188-E1204 WeakPolarHBondContact CD-OE1 3.43Å; K1188-E1204 WeakPolarHBondContact CE-OE1 3.32Å; K1188-E1204 PolarHBondContact N-O 3.44Å; K1188-E1204 IonicContact NZ-OE1 3.71Å; K1188-E1204 PolarHBondContact NZ-OE1 2.97Å; K1188-E1204 PolarHBondContact O-N 2.91Å
1189V87.7Confident76.6Confident39 Ų3976.2 Ų76.224%0.23640%0.403CS..EExtended strand (participates in β ladder)trans-90.2105.8170.4-169.40000108V1178 P1191 N1201 D1202 V1203V1178-V1189 HydrophobicContact CB-CB 4.22Å; V1178-V1189 HydrophobicContact CB-CG2 4.47Å; V1178-V1189 PolarHBondContact N-O 3.22Å; V1178-V1189 PolarHBondContact O-N 2.72Å; V1189-P1191 WeakPolarHBondContact O-CD 3.45Å; V1189-N1201 HydrophobicContact CG1-CB 3.72Å; V1189-D1202 WeakPolarHBondContact CA-O 3.4Å; V1189-V1203 HydrophobicContact CG2-CG2 4.42Å
1190K83.5Confident75.9Confident91 Ų9181.9 Ų81.940%0.39641%0.413SS..EExtended strand (participates in β ladder)trans-95.1110.1177-77.8172168.6170.40109.4L1177 K1192 D1202 E1204L1177-K1190 HydrophobicContact CD1-CB 4.5Å; L1177-K1190 HydrophobicContact CD1-CG 3.56Å; K1190-K1192 PolarHBondContact O-N 2.95Å; K1190-D1202 HydrophobicContact CB-CB 4.44Å; K1190-D1202 PolarHBondContact N-O 3.26Å; K1190-D1202 PolarHBondContact O-N 3.2Å; K1190-E1204 VanDerWaalsContact CE-OE2 3.26Å; K1190-E1204 WeakPolarHBondContact CE-OE2 3.28Å; K1190-E1204 IonicContact NZ-OE2 3.98Å; K1190-E1204 PolarHBondContact NZ-OE2 3.04Å
1191P79.4Confident75.5Confident30 Ų3083.6 Ų83.620%0.19542%0.416CS..EExtended strand (participates in β ladder)trans-77.6109.9177.130.4-33.5000110.9P1175 V1189P1175-P1191 HydrophobicContact CB-CB 3.58Å; P1175-P1191 HydrophobicContact CB-CG 3.65Å; P1175-P1191 HydrophobicContact CG-CB 3.71Å; P1175-P1191 HydrophobicContact CG-CG 3.8Å; V1189-P1191 WeakPolarHBondContact O-CD 3.45Å
1192K72Confident75.4Confident120 Ų12079.1 Ų79.152%0.52240%0.402SS..EExtended strand (participates in β ladder)trans-92.9142.2169.5-70.6-175.7178.8164.80110.6K1190 R1200 D1202K1190-K1192 PolarHBondContact O-N 2.95Å; K1192-R1200 PolarHBondContact N-O 3.39Å; K1192-R1200 PolarHBondContact O-N 2.91Å; K1192-R1200 VanDerWaalsContact O-O 3.13Å; K1192-D1202 VanDerWaalsContact CD-OD2 3.29Å; K1192-D1202 WeakPolarHBondContact CD-OD2 3.15Å; K1192-D1202 WeakPolarHBondContact CE-OD2 3.25Å; K1192-D1202 IonicContact NZ-OD2 3.79Å; K1192-D1202 PolarHBondContact NZ-OD2 3.33Å
1193Y66Low75.6Confident140 Ų14081.8 Ų81.855%0.54942%0.415SS..EExtended strand (participates in β ladder)trans-85.2116.7170.6-77.7-91.8000109.5P1175 L1199P1175-Y1193 WeakPolarHBondContact CD-OH 3.29Å; P1175-Y1193 HydrophobicContact CG-CE2 3.82Å; Y1193-L1199 HydrophobicContact CD1-CD2 3.76Å; Y1193-L1199 HydrophobicContact CD2-CD2 4.35Å; Y1193-L1199 HydrophobicContact CE1-CD2 3.74Å; Y1193-L1199 HydrophobicContact CE2-CD2 4.32Å; Y1193-L1199 HydrophobicContact CG-CD2 4.11Å
1194A66.7Low76Confident58 Ų5882.5 Ų82.548%0.47942%0.418SS..  trans-10441.2-173.500000112.6R1198 R1200A1194-R1198 PolarHBondContact N-O 2.94Å; A1194-R1200 HydrophobicContact CB-CB 3.94Å
1195G55.1Low76.2Confident47 Ų4786 Ų8649%0.48544%0.439SS..SBendtrans70.2164.4-176.700000114.7G1197 R1198G1195-G1197 PolarHBondContact O-N 3.25Å; G1195-R1198 PolarHBondContact O-N 3.36Å
1196R53.4Low76.2Confident174 Ų17484.7 Ų84.766%0.65744%0.436SS*.THydrogen-bonded Turntrans38.937.7178-64.2-168.4-174.1-96.8-1.2115.9I1134 R1198I1134-R1196 VanDerWaalsContact O-CZ 3.22Å; I1134-R1196 PolarHBondContact O-NH1 3.22Å; I1134-R1196 PolarHBondContact O-NH2 3.37Å; R1196-R1198 VanDerWaalsContact C-N 3.26Å; R1196-R1198 PolarHBondContact O-N 2.7Å
1197G64.6Low75.7Confident73 Ų7387.2 Ų87.275%0.75345%0.454SS*.THydrogen-bonded Turntrans70.110.2179.700000116G1195G1195-G1197 PolarHBondContact O-N 3.25Å
1198R62.1Low74.9Confident201 Ų20185.8 Ų85.876%0.75845%0.448SS*.  trans-79.2132.7168.3-78.1-168.5171.4-141.40.1110.4A1194 G1195 R1196A1194-R1198 PolarHBondContact N-O 2.94Å; G1195-R1198 PolarHBondContact O-N 3.36Å; R1196-R1198 VanDerWaalsContact C-N 3.26Å; R1196-R1198 PolarHBondContact O-N 2.7Å
1199L67.9Low74.1Confident93 Ų9394 Ų9449%0.48748%0.477SS..EExtended strand (participates in β ladder)trans-94.4131.2167.6-67.4170000108.5P1175 Y1193P1175-L1199 HydrophobicContact CB-CD1 4.34Å; P1175-L1199 HydrophobicContact CB-CD2 4.3Å; P1175-L1199 HydrophobicContact CG-CD2 3.78Å; Y1193-L1199 HydrophobicContact CD1-CD2 3.76Å; Y1193-L1199 HydrophobicContact CD2-CD2 4.35Å; Y1193-L1199 HydrophobicContact CE1-CD2 3.74Å; Y1193-L1199 HydrophobicContact CE2-CD2 4.32Å; Y1193-L1199 HydrophobicContact CG-CD2 4.11Å
1200R72.9Confident73.6Confident174 Ų17494 Ų9466%0.65748%0.475SS*.EExtended strand (participates in β ladder)trans-112.1126.9168.5-169.8-178-167.6-1752.4107.4K1192 A1194K1192-R1200 PolarHBondContact N-O 3.39Å; K1192-R1200 PolarHBondContact O-N 2.91Å; K1192-R1200 VanDerWaalsContact O-O 3.13Å; A1194-R1200 HydrophobicContact CB-CB 3.94Å
1201N81.6Confident73.3Confident99 Ų99100.3 Ų100.353%0.52950%0.496SS..EExtended strand (participates in β ladder)trans-98.4107.6-179.3-71.6-12.6000108.8V1189V1189-N1201 HydrophobicContact CG1-CB 3.72Å
1202D82.6Confident73.6Confident50 Ų50101.7 Ų101.727%0.26750%0.502SS..EExtended strand (participates in β ladder)trans-82.4124.1173.3-74.220.1000108.2V1189 K1190 K1192V1189-D1202 WeakPolarHBondContact CA-O 3.4Å; K1190-D1202 HydrophobicContact CB-CB 4.44Å; K1190-D1202 PolarHBondContact N-O 3.26Å; K1190-D1202 PolarHBondContact O-N 3.2Å; K1192-D1202 VanDerWaalsContact CD-OD2 3.29Å; K1192-D1202 WeakPolarHBondContact CD-OD2 3.15Å; K1192-D1202 WeakPolarHBondContact CE-OD2 3.25Å; K1192-D1202 IonicContact NZ-OD2 3.79Å; K1192-D1202 PolarHBondContact NZ-OD2 3.33Å
1203V85.5Confident74Confident89 Ų8998.8 Ų98.854%0.53951%0.506SS..EExtended strand (participates in β ladder)trans-102103.6179.4-174.50000108.9V1189 V1205V1189-V1203 HydrophobicContact CG2-CG2 4.42Å; V1203-V1205 HydrophobicContact CG1-CG2 4.14Å
1204E85.7Confident75Confident61 Ų6193.8 Ų93.829%0.28549%0.491SS..EExtended strand (participates in β ladder)trans-86.5120.1172-178.6-168.8138.600108.7L1187 K1188 K1190L1187-E1204 CarbonylContact C-O 3.57Å; L1187-E1204 WeakPolarHBondContact CA-O 3.26Å; K1188-E1204 HydrophobicContact CB-CB 4.26Å; K1188-E1204 WeakPolarHBondContact CD-OE1 3.43Å; K1188-E1204 WeakPolarHBondContact CE-OE1 3.32Å; K1188-E1204 PolarHBondContact N-O 3.44Å; K1188-E1204 IonicContact NZ-OE1 3.71Å; K1188-E1204 PolarHBondContact NZ-OE1 2.97Å; K1188-E1204 PolarHBondContact O-N 2.91Å; K1190-E1204 VanDerWaalsContact CE-OE2 3.26Å; K1190-E1204 WeakPolarHBondContact CE-OE2 3.28Å; K1190-E1204 IonicContact NZ-OE2 3.98Å; K1190-E1204 PolarHBondContact NZ-OE2 3.04Å
1205V85.5Confident75.9Confident82 Ų8291.1 Ų91.150%0.49747%0.468SS..EExtended strand (participates in β ladder)trans-111.7116.4171.9-175.80000107.8L1185 L1187 V1203L1185-V1205 HydrophobicContact CB-CG1 4.27Å; L1185-V1205 HydrophobicContact CD1-CG1 4.04Å; L1187-V1205 HydrophobicContact CD2-CG2 3.98Å; L1187-V1205 HydrophobicContact CG-CG2 4.27Å; V1203-V1205 HydrophobicContact CG1-CG2 4.14Å
1206A81.6Confident77.4Confident28 Ų2891.7 Ų91.723%0.23147%0.465CS..EExtended strand (participates in β ladder)trans-139.6141.5-179.200000111.3L1186L1186-A1206 PolarHBondContact N-O 3.11Å; L1186-A1206 PolarHBondContact O-N 3.26Å; L1186-A1206 VanDerWaalsContact O-N 3.14Å
1207P77.9Confident79.2Confident73 Ų7384.8 Ų84.847%0.47444%0.441SS..  trans-64.1137.6165.428.5-33.5000109.2L1185 R1209L1185-P1207 HydrophobicContact CD2-CB 4.45Å; P1207-R1209 PolarHBondContact O-N 3.42Å
1208P71.9Confident80.4Confident26 Ų2681.4 Ų81.417%0.16941%0.406CS..  trans-67.9109.3176.629.9-31.6000108.2Y1181 S1184 I1210Y1181-P1208 HydrophobicContact CE1-CB 4.31Å; S1184-P1208 WeakPolarHBondContact O-CD 3.47Å; P1208-I1210 HydrophobicContact CB-CD1 4.47Å; P1208-I1210 HydrophobicContact CB-CG1 4.18Å; P1208-I1210 PolarHBondContact O-N 3.49Å
1209R72.7Confident81.7Confident226 Ų22678.1 Ų78.185%0.85339%0.393SS*.  trans-7655.5-177.5-68.6-174.7173.3-173.2-1.6112P1207 R1211P1207-R1209 PolarHBondContact O-N 3.42Å; R1209-R1211 PolarHBondContact O-N 2.7Å
1210I77.9Confident82.7Confident38 Ų3877.8 Ų77.820%0.19539%0.39CS..  trans-64.1126.1176.9-50.1176.5000108.8P1208 D1212 S1215 Y1588 M2161P1208-I1210 HydrophobicContact CB-CD1 4.47Å; P1208-I1210 HydrophobicContact CB-CG1 4.18Å; P1208-I1210 PolarHBondContact O-N 3.49Å; I1210-D1212 HydrophobicContact CG2-CB 4.47Å; I1210-S1215 PolarHBondContact O-OG 3.17Å; I1210-Y1588 HydrophobicContact CB-CD1 4.1Å; I1210-Y1588 HydrophobicContact CB-CE1 3.73Å; I1210-Y1588 HydrophobicContact CD1-CE1 4.34Å; I1210-Y1588 HydrophobicContact CG2-CD1 4.37Å; I1210-Y1588 HydrophobicContact CG2-CE1 3.51Å; I1210-M2161 HydrophobicContact CB-CE 4.28Å; I1210-M2161 HydrophobicContact CD1-CE 3.74Å; I1210-M2161 HydrophobicContact CG1-CE 3.71Å; I1210-M2161 HydrophobicContact CG2-CE 3.69Å
1211R77.2Confident83.7Confident224 Ų22469.7 Ų69.785%0.84536%0.36SS*.  trans-132.185.2177.2-73.1-174171-161.9-2.6108.9R1209R1209-R1211 PolarHBondContact O-N 2.7Å
1212D84.8Confident84Confident59 Ų5966 Ų6632%0.31634%0.341SS..SBendtrans-126.4-179.7175.980.4-49.3000110.2I1210 T1214 S1215 S1216 Y1588I1210-D1212 HydrophobicContact CG2-CB 4.47Å; D1212-T1214 VanDerWaalsContact C-N 3.28Å; D1212-T1214 VanDerWaalsContact CG-N 3.32Å; D1212-T1214 PolarHBondContact O-N 3.21Å; D1212-T1214 PolarHBondContact OD1-N 3.3Å; D1212-T1214 WeakPolarHBondContact OD2-CA 3.36Å; D1212-T1214 WeakPolarHBondContact OD2-CB 3.25Å; D1212-T1214 PolarHBondContact OD2-N 3.01Å; D1212-T1214 PolarHBondContact OD2-OG1 3.18Å; D1212-S1215 VanDerWaalsContact O-CB 3.32Å; D1212-S1215 WeakPolarHBondContact O-CB 3.32Å; D1212-S1215 PolarHBondContact O-N 3.38Å; D1212-S1215 VanDerWaalsContact OD1-CB 3.3Å; D1212-S1215 WeakPolarHBondContact OD1-CB 3.45Å; D1212-S1215 PolarHBondContact OD1-N 2.87Å; D1212-S1216 PolarHBondContact O-N 2.67Å; D1212-Y1588 WeakPolarHBondContact OD1-CE1 3.34Å; D1212-Y1588 PolarHBondContact OD1-OH 3.36Å
1213G80.8Confident83.9Confident59 Ų5964 Ų6461%0.60833%0.332SS*.Hα-helixtrans-59.4-35.7175.500000113.5S1215 S1216 L1217G1213-S1215 VanDerWaalsContact C-N 3.35Å; G1213-S1215 PolarHBondContact O-N 2.94Å; G1213-S1216 WeakPolarHBondContact O-CB 3.09Å; G1213-S1216 PolarHBondContact O-N 2.86Å; G1213-S1216 VanDerWaalsContact O-N 3.17Å; G1213-L1217 PolarHBondContact O-N 2.81Å
1214T86Confident83.9Confident36 Ų3660.4 Ų60.422%0.22131%0.311CS..Hα-helixtrans-61.9-43.2175.5-45.60000111.3D1212 S1216 L1217 L1218 N1549 Y1588D1212-T1214 VanDerWaalsContact C-N 3.28Å; D1212-T1214 VanDerWaalsContact CG-N 3.32Å; D1212-T1214 PolarHBondContact O-N 3.21Å; D1212-T1214 PolarHBondContact OD1-N 3.3Å; D1212-T1214 WeakPolarHBondContact OD2-CA 3.36Å; D1212-T1214 WeakPolarHBondContact OD2-CB 3.25Å; D1212-T1214 PolarHBondContact OD2-N 3.01Å; D1212-T1214 PolarHBondContact OD2-OG1 3.18Å; T1214-S1216 PolarHBondContact O-N 2.86Å; T1214-L1217 PolarHBondContact O-N 3.11Å; T1214-L1218 HydrophobicContact CG2-CD1 3.75Å; T1214-L1218 HydrophobicContact CG2-CG 4.01Å; T1214-L1218 WeakPolarHBondContact O-CB 3.24Å; T1214-L1218 WeakPolarHBondContact O-CG 3.42Å; T1214-L1218 PolarHBondContact O-N 3.39Å; T1214-N1549 VanDerWaalsContact CG2-ND2 3.28Å; T1214-N1549 WeakPolarHBondContact CG2-ND2 3.37Å; T1214-Y1588 WeakPolarHBondContact CB-OH 3.39Å; T1214-Y1588 HydrophobicContact CG2-CE2 3.83Å
1215S85.7Confident84Confident1 Ų157.6 Ų57.61%0.00730%0.298CS..Hα-helixtrans-59-34176.1-155.10000112.6I1210 D1212 G1213 R1219I1210-S1215 PolarHBondContact O-OG 3.17Å; D1212-S1215 VanDerWaalsContact O-CB 3.32Å; D1212-S1215 WeakPolarHBondContact O-CB 3.32Å; D1212-S1215 PolarHBondContact O-N 3.38Å; D1212-S1215 VanDerWaalsContact OD1-CB 3.3Å; D1212-S1215 WeakPolarHBondContact OD1-CB 3.45Å; D1212-S1215 PolarHBondContact OD1-N 2.87Å; G1213-S1215 VanDerWaalsContact C-N 3.35Å; G1213-S1215 PolarHBondContact O-N 2.94Å; S1215-R1219 WeakPolarHBondContact O-CB 3.49Å; S1215-R1219 WeakPolarHBondContact O-CD 3.38Å; S1215-R1219 WeakPolarHBondContact O-CG 3.24Å; S1215-R1219 PolarHBondContact O-N 2.71Å; S1215-R1219 PolarHBondContact OG-NH1 2.86Å; S1215-R1219 PolarHBondContact OG-NH2 3.05Å
1216S87.4Confident83.5Confident59 Ų5955.3 Ų55.341%0.41328%0.282SS..Hα-helixtrans-71.5-54.4174.2-157.40000111.3D1212 G1213 T1214 L1218 R1219 M1220D1212-S1216 PolarHBondContact O-N 2.67Å; G1213-S1216 WeakPolarHBondContact O-CB 3.09Å; G1213-S1216 PolarHBondContact O-N 2.86Å; G1213-S1216 VanDerWaalsContact O-N 3.17Å; T1214-S1216 PolarHBondContact O-N 2.86Å; S1216-L1218 VanDerWaalsContact C-N 3.34Å; S1216-L1218 PolarHBondContact O-N 3.37Å; S1216-R1219 PolarHBondContact O-N 2.71Å; S1216-M1220 WeakPolarHBondContact O-CG 3.46Å; S1216-M1220 PolarHBondContact O-N 3.31Å
1217L90.7Very high82.4Confident30 Ų3056.2 Ų56.216%0.15729%0.294CS..Hα-helixtrans-52.4-49.3179.1-17967.7000112G1213 T1214 R1219 Y1221 F1238 N1549 I1553G1213-L1217 PolarHBondContact O-N 2.81Å; T1214-L1217 PolarHBondContact O-N 3.11Å; L1217-R1219 VanDerWaalsContact C-N 3.31Å; L1217-R1219 PolarHBondContact O-N 2.87Å; L1217-Y1221 VanDerWaalsContact O-CB 3.27Å; L1217-Y1221 WeakPolarHBondContact O-CB 3.28Å; L1217-Y1221 PolarHBondContact O-N 2.98Å; L1217-F1238 HydrophobicContact CD1-CE2 4.04Å; L1217-F1238 HydrophobicContact CD1-CZ 3.82Å; L1217-N1549 HydrophobicContact CD2-CB 3.96Å; L1217-I1553 HydrophobicContact CD1-CD1 4.35Å; L1217-I1553 HydrophobicContact CD2-CD1 4.17Å; L1217-I1553 HydrophobicContact CG-CD1 3.98Å
1218L90.7Very high81.5Confident2 Ų265.2 Ų65.21%0.0132%0.319CS..Hα-helixtrans-70.3-22.1179.8-65.7-178.3000113.4T1214 S1216 I1553 L1581 I1585 Y1588 R1593T1214-L1218 HydrophobicContact CG2-CD1 3.75Å; T1214-L1218 HydrophobicContact CG2-CG 4.01Å; T1214-L1218 WeakPolarHBondContact O-CB 3.24Å; T1214-L1218 WeakPolarHBondContact O-CG 3.42Å; T1214-L1218 PolarHBondContact O-N 3.39Å; S1216-L1218 VanDerWaalsContact C-N 3.34Å; S1216-L1218 PolarHBondContact O-N 3.37Å; L1218-I1553 HydrophobicContact CD2-CD1 4.41Å; L1218-L1581 HydrophobicContact CD2-CD1 3.64Å; L1218-I1585 HydrophobicContact CD1-CG1 4.17Å; L1218-I1585 HydrophobicContact CD2-CD1 4.46Å; L1218-I1585 HydrophobicContact CD2-CG1 4.03Å; L1218-Y1588 HydrophobicContact CD1-CD2 3.56Å; L1218-Y1588 HydrophobicContact CD1-CE2 3.84Å; L1218-Y1588 HydrophobicContact CD1-CG 4.43Å; L1218-R1593 PolarHBondContact O-NH1 2.88Å
1219R88.3Confident81.2Confident132 Ų13272.9 Ų72.950%0.49835%0.349SS..Hα-helixtrans-79.1-51.5172.2-78.6177.4-166.7129.510.9111.1S1215 S1216 L1217 Y1221 R1593S1215-R1219 WeakPolarHBondContact O-CB 3.49Å; S1215-R1219 WeakPolarHBondContact O-CD 3.38Å; S1215-R1219 WeakPolarHBondContact O-CG 3.24Å; S1215-R1219 PolarHBondContact O-N 2.71Å; S1215-R1219 PolarHBondContact OG-NH1 2.86Å; S1215-R1219 PolarHBondContact OG-NH2 3.05Å; S1216-R1219 PolarHBondContact O-N 2.71Å; L1217-R1219 VanDerWaalsContact C-N 3.31Å; L1217-R1219 PolarHBondContact O-N 2.87Å; R1219-Y1221 VanDerWaalsContact C-N 3.35Å; R1219-Y1221 PolarHBondContact O-N 3.39Å; R1219-R1593 PolarHBondContact O-NH1 3.44Å; R1219-R1593 PolarHBondContact O-NH2 2.84Å
1220M89.9Confident81.5Confident85 Ų8564.2 Ų64.242%0.41932%0.32SS..Hα-helixtrans-59.6-42.1-178.7-71.1166.162.100112.5S1216 P1222 F1238 E1241S1216-M1220 WeakPolarHBondContact O-CG 3.46Å; S1216-M1220 PolarHBondContact O-N 3.31Å; M1220-P1222 WeakPolarHBondContact O-CD 3.32Å; M1220-F1238 HydrophobicContact CB-CD2 4.43Å; M1220-F1238 HydrophobicContact CB-CE2 4.47Å; M1220-E1241 HydrophobicContact CE-CG 3.58Å
1221Y92.9Very high81.9Confident4 Ų468.4 Ų68.42%0.01634%0.338CS..SBendtrans-62.2122.3-178.5178.1-126.3000111.6L1217 R1219 G1223 L1225 F1238 I1553 E1556 I1557 R1593 Y1597L1217-Y1221 VanDerWaalsContact O-CB 3.27Å; L1217-Y1221 WeakPolarHBondContact O-CB 3.28Å; L1217-Y1221 PolarHBondContact O-N 2.98Å; R1219-Y1221 VanDerWaalsContact C-N 3.35Å; R1219-Y1221 PolarHBondContact O-N 3.39Å; Y1221-G1223 PolarHBondContact O-N 3.37Å; Y1221-L1225 HydrophobicContact CE2-CD1 4.29Å; Y1221-L1225 HydrophobicContact CE2-CD2 4.22Å; Y1221-L1225 HydrophobicContact CE2-CG 4.4Å; Y1221-L1225 VanDerWaalsContact OH-CD1 3.3Å; Y1221-L1225 WeakPolarHBondContact OH-CD1 3.35Å; Y1221-L1225 WeakPolarHBondContact OH-CG 3.47Å; Y1221-F1238 HydrophobicContact CD2-CD1 4.01Å; Y1221-F1238 HydrophobicContact CD2-CD2 4.29Å; Y1221-F1238 AromaticContact CD2-CE1 3.86Å; Y1221-F1238 HydrophobicContact CD2-CE1 3.86Å; Y1221-F1238 HydrophobicContact CD2-CE2 4.14Å; Y1221-F1238 HydrophobicContact CD2-CG 4.24Å; Y1221-F1238 AromaticContact CD2-CZ 3.93Å; Y1221-F1238 HydrophobicContact CD2-CZ 3.93Å; Y1221-F1238 HydrophobicContact CG-CE2 4.37Å; Y1221-F1238 HydrophobicContact CG-CZ 4.32Å; Y1221-I1553 HydrophobicContact CD1-CD1 3.81Å; Y1221-I1553 HydrophobicContact CD1-CG1 3.73Å; Y1221-I1553 HydrophobicContact CD1-CG2 4.3Å; Y1221-I1553 HydrophobicContact CD2-CG2 3.57Å; Y1221-I1553 HydrophobicContact CE1-CB 4.4Å; Y1221-I1553 HydrophobicContact CE1-CD1 4.33Å; Y1221-I1553 HydrophobicContact CE1-CG1 3.72Å; Y1221-I1553 HydrophobicContact CE1-CG2 4.17Å; Y1221-I1553 HydrophobicContact CE2-CG2 3.51Å; Y1221-I1553 HydrophobicContact CG-CD1 3.94Å; Y1221-I1553 HydrophobicContact CG-CG1 4.13Å; Y1221-I1553 HydrophobicContact CG-CG2 4Å; Y1221-E1556 WeakPolarHBondContact CE1-OE2 3.43Å; Y1221-E1556 WeakPolarHBondContact OH-CB 3.38Å; Y1221-E1556 WeakPolarHBondContact OH-CG 3.12Å; Y1221-E1556 PolarHBondContact OH-OE2 3.05Å; Y1221-I1557 HydrophobicContact CE2-CD1 3.9Å; Y1221-I1557 HydrophobicContact CE2-CG1 3.95Å; Y1221-R1593 PolarHBondContact O-NH2 2.96Å; Y1221-Y1597 VanDerWaalsContact CE1-OH 3.3Å; Y1221-Y1597 WeakPolarHBondContact CE1-OH 3.47Å
1222P88.7Confident82.6Confident21 Ų2160.3 Ų60.314%0.13631%0.309CS..  trans-82.427.8-172.335.2-39000114.3M1220 L1230 K1234 I1235M1220-P1222 WeakPolarHBondContact O-CD 3.32Å; P1222-L1230 HydrophobicContact CB-CD1 4.18Å; P1222-L1230 HydrophobicContact CB-CD2 4.04Å; P1222-L1230 HydrophobicContact CG-CD2 4.17Å; P1222-L1230 WeakPolarHBondContact O-CD1 3.15Å; P1222-L1230 VanDerWaalsContact O-CD2 3.26Å; P1222-L1230 WeakPolarHBondContact O-CD2 3.31Å; P1222-K1234 HydrophobicContact CB-CB 4.36Å; P1222-K1234 HydrophobicContact CG-CB 4.33Å; P1222-I1235 HydrophobicContact CG-CG1 4.37Å
1223G79.3Confident82.9Confident8 Ų861.4 Ų61.48%0.08232%0.315CS..  trans-74.6167.7178.500000114.9Y1221 R1593Y1221-G1223 PolarHBondContact O-N 3.37Å; G1223-R1593 PolarHBondContact O-NE 3.49Å
1224P85.8Confident83.5Confident15 Ų1565.2 Ų65.210%0.09732%0.315CS..SBendcis-72.4142-1.927.4-33.7000113.4Q1226 N1596 Y1597P1224-Q1226 PolarHBondContact O-N 2.93Å; P1224-N1596 HydrophobicContact CG-CB 3.52Å; P1224-Y1597 HydrophobicContact CB-CD1 3.87Å; P1224-Y1597 HydrophobicContact CB-CD2 3.8Å; P1224-Y1597 HydrophobicContact CB-CE1 3.77Å; P1224-Y1597 HydrophobicContact CB-CE2 3.69Å; P1224-Y1597 HydrophobicContact CB-CG 3.87Å; P1224-Y1597 HydrophobicContact CG-CD2 4.08Å; P1224-Y1597 HydrophobicContact CG-CE2 4.2Å; P1224-Y1597 HydrophobicContact CG-CG 4.38Å
1225L88.6Confident83.9Confident2 Ų263.5 Ų63.51%0.0130%0.304CS..  trans-81.9104.8-171.6-56.7-175000111.4Y1221 L1230 I1235 E1556 I1557 Y1560 Q1600Y1221-L1225 HydrophobicContact CE2-CD1 4.29Å; Y1221-L1225 HydrophobicContact CE2-CD2 4.22Å; Y1221-L1225 HydrophobicContact CE2-CG 4.4Å; Y1221-L1225 VanDerWaalsContact OH-CD1 3.3Å; Y1221-L1225 WeakPolarHBondContact OH-CD1 3.35Å; Y1221-L1225 WeakPolarHBondContact OH-CG 3.47Å; L1225-L1230 HydrophobicContact CD2-CD2 3.43Å; L1225-L1230 VanDerWaalsContact CD2-CD2 3.43Å; L1225-I1235 HydrophobicContact CD1-CD1 4.43Å; L1225-I1235 HydrophobicContact CD1-CG2 4.47Å; L1225-I1235 HydrophobicContact CD2-CD1 4.06Å; L1225-I1235 HydrophobicContact CD2-CG1 4.15Å; L1225-E1556 HydrophobicContact CB-CG 4.37Å; L1225-E1556 HydrophobicContact CD1-CG 4.12Å; L1225-E1556 HydrophobicContact CG-CG 4.18Å; L1225-E1556 PolarHBondContact N-OE1 2.77Å; L1225-I1557 HydrophobicContact CD1-CB 4.31Å; L1225-I1557 HydrophobicContact CD1-CG1 3.68Å; L1225-Y1560 HydrophobicContact CB-CD1 4.48Å; L1225-Y1560 HydrophobicContact CB-CD2 3.54Å; L1225-Y1560 HydrophobicContact CB-CE2 4.24Å; L1225-Y1560 HydrophobicContact CB-CG 3.66Å; L1225-Y1560 HydrophobicContact CD1-CD1 4.33Å; L1225-Y1560 HydrophobicContact CD1-CG 4.03Å; L1225-Y1560 HydrophobicContact CG-CG 4.48Å; L1225-Q1600 PolarHBondContact O-NE2 3.01Å; L1225-Q1600 PolarHBondContact O-OE1 3.45Å
1226Q74.2Confident84.4Confident33 Ų3364 Ų6415%0.15431%0.307CS..  trans-122.8132.4-176.5-61.7-178.210.100111.8P1224 N1596P1224-Q1226 PolarHBondContact O-N 2.93Å; Q1226-N1596 PolarHBondContact NE2-O 2.92Å
1227G58.5Low84.8Confident48 Ų4864.5 Ų64.550%0.49531%0.31SS..THydrogen-bonded Turntrans-57.4145.7175.300000112.4K1229G1227-K1229 VanDerWaalsContact C-N 3.32Å; G1227-K1229 PolarHBondContact O-N 3.25Å
1228R59.4Low85.1Confident262 Ų26263.5 Ų63.599%0.98930%0.304SS*.THydrogen-bonded Turntrans73.3-12.7179.3-45.3179.9-173-158.60.6118.1
1229K66.6Low85.3Confident186 Ų18663.4 Ų63.481%0.80930%0.304SS*.THydrogen-bonded Turntrans-110-21-179.8-75.7-171.9177.8-177.70115.6G1227G1227-K1229 VanDerWaalsContact C-N 3.32Å; G1227-K1229 PolarHBondContact O-N 3.25Å
1230L78.4Confident85.7Confident45 Ų4562.8 Ų62.824%0.23631%0.305CS..SBendtrans-113.1133.8-175.4-157.575.4000111.2P1222 L1225 I1235P1222-L1230 HydrophobicContact CB-CD1 4.18Å; P1222-L1230 HydrophobicContact CB-CD2 4.04Å; P1222-L1230 HydrophobicContact CG-CD2 4.17Å; P1222-L1230 WeakPolarHBondContact O-CD1 3.15Å; P1222-L1230 VanDerWaalsContact O-CD2 3.26Å; P1222-L1230 WeakPolarHBondContact O-CD2 3.31Å; L1225-L1230 HydrophobicContact CD2-CD2 3.43Å; L1225-L1230 VanDerWaalsContact CD2-CD2 3.43Å; L1230-I1235 HydrophobicContact CD2-CD1 4.01Å; L1230-I1235 HydrophobicContact CD2-CG1 3.82Å
1231H86.3Confident85.9Confident125 Ų12561.1 Ų61.158%0.57930%0.296SS*.  trans-76.6133.2174.6-144.1-102.8000110.5D1233 K1234H1231-D1233 IonicContact CE1-OD2 3.82Å; H1231-D1233 PolarHBondContact CE1-OD2 2.87Å; H1231-D1233 IonicContact ND1-OD2 3.38Å; H1231-D1233 PolarHBondContact ND1-OD2 3.38Å; H1231-D1233 PolarHBondContact O-N 2.94Å; H1231-K1234 PolarHBondContact O-N 2.96Å; H1231-K1234 VanDerWaalsContact O-N 3.15Å
1232K91.4Very high86Confident54 Ų5461.4 Ų61.424%0.23530%0.298CS..Hα-helixtrans-57-37.4-177.5-64.2178178.6-173.60112.2K1234 I1235 I1236 L1283 N1286K1232-K1234 PolarHBondContact O-N 3.3Å; K1232-I1235 CarbonylContact O-C 3.59Å; K1232-I1235 WeakPolarHBondContact O-CA 3.47Å; K1232-I1235 VanDerWaalsContact O-CB 3.31Å; K1232-I1235 WeakPolarHBondContact O-CB 3.28Å; K1232-I1235 PolarHBondContact O-N 3.12Å; K1232-I1236 HydrophobicContact CB-CD1 4.43Å; K1232-I1236 PolarHBondContact O-N 2.77Å; K1232-L1283 PolarHBondContact NZ-O 2.99Å; K1232-N1286 PolarHBondContact NZ-OD1 3.4Å
1233D91.9Very high86.2Confident82 Ų8261.2 Ų61.244%0.43930%0.295SS..Hα-helixtrans-65.3-23.9-175.9-47.1-41.6000113H1231 I1235 S1237H1231-D1233 IonicContact CE1-OD2 3.82Å; H1231-D1233 PolarHBondContact CE1-OD2 2.87Å; H1231-D1233 IonicContact ND1-OD2 3.38Å; H1231-D1233 PolarHBondContact ND1-OD2 3.38Å; H1231-D1233 PolarHBondContact O-N 2.94Å; D1233-I1235 VanDerWaalsContact C-N 3.32Å; D1233-S1237 WeakPolarHBondContact O-CB 3.46Å; D1233-S1237 PolarHBondContact O-N 2.97Å; D1233-S1237 PolarHBondContact O-OG 3.21Å
1234K93.1Very high86.9Confident139 Ų13966.4 Ų66.460%0.60431%0.312SS*.Hα-helixtrans-69.1-33.8171-63.9-167.4175.9-171.40111.6P1222 H1231 K1232 F1238P1222-K1234 HydrophobicContact CB-CB 4.36Å; P1222-K1234 HydrophobicContact CG-CB 4.33Å; H1231-K1234 PolarHBondContact O-N 2.96Å; H1231-K1234 VanDerWaalsContact O-N 3.15Å; K1232-K1234 PolarHBondContact O-N 3.3Å; K1234-F1238 WeakPolarHBondContact O-CB 3.29Å; K1234-F1238 PolarHBondContact O-N 2.94Å
1235I94.7Very high87Confident0 Ų070.6 Ų70.60%033%0.333CS..Hα-helixtrans-74.5-45.4173.5-42.2173.4000109.8P1222 L1225 L1230 K1232 D1233 S1237 F1238 C1239 L1283 I1557 Y1560P1222-I1235 HydrophobicContact CG-CG1 4.37Å; L1225-I1235 HydrophobicContact CD1-CD1 4.43Å; L1225-I1235 HydrophobicContact CD1-CG2 4.47Å; L1225-I1235 HydrophobicContact CD2-CD1 4.06Å; L1225-I1235 HydrophobicContact CD2-CG1 4.15Å; L1230-I1235 HydrophobicContact CD2-CD1 4.01Å; L1230-I1235 HydrophobicContact CD2-CG1 3.82Å; K1232-I1235 CarbonylContact O-C 3.59Å; K1232-I1235 WeakPolarHBondContact O-CA 3.47Å; K1232-I1235 VanDerWaalsContact O-CB 3.31Å; K1232-I1235 WeakPolarHBondContact O-CB 3.28Å; K1232-I1235 PolarHBondContact O-N 3.12Å; D1233-I1235 VanDerWaalsContact C-N 3.32Å; I1235-S1237 VanDerWaalsContact C-N 3.34Å; I1235-S1237 PolarHBondContact O-N 3.34Å; I1235-F1238 WeakPolarHBondContact O-CB 3.26Å; I1235-F1238 PolarHBondContact O-N 3.16Å; I1235-C1239 PolarHBondContact O-N 3.08Å; I1235-C1239 PolarHBondContact O-SG 2.89Å; I1235-L1283 HydrophobicContact CB-CD1 4.09Å; I1235-L1283 HydrophobicContact CD1-CD2 4.13Å; I1235-L1283 HydrophobicContact CG2-CD1 3.74Å; I1235-L1283 HydrophobicContact CG2-CD2 4.41Å; I1235-I1557 HydrophobicContact CG2-CD1 4.26Å; I1235-I1557 HydrophobicContact CG2-CG1 3.94Å; I1235-I1557 HydrophobicContact CG2-CG2 4Å; I1235-Y1560 HydrophobicContact CD1-CD1 3.67Å; I1235-Y1560 HydrophobicContact CD1-CE1 3.25Å
1236I95.6Very high86.9Confident13 Ų1370.8 Ų70.87%0.06734%0.336CS..Hα-helixtrans-62.3-40.7178.3-65.5170000111K1232 C1239 K1240 I1280 L1283 R1284K1232-I1236 HydrophobicContact CB-CD1 4.43Å; K1232-I1236 PolarHBondContact O-N 2.77Å; I1236-C1239 PolarHBondContact O-N 3.07Å; I1236-K1240 WeakPolarHBondContact O-CG 3.48Å; I1236-K1240 PolarHBondContact O-N 3.24Å; I1236-I1280 HydrophobicContact CG2-CD1 4.45Å; I1236-I1280 HydrophobicContact CG2-CG1 4.21Å; I1236-I1280 HydrophobicContact CG2-CG2 3.99Å; I1236-L1283 HydrophobicContact CD1-CB 4.25Å; I1236-L1283 HydrophobicContact CG1-CB 4.07Å; I1236-L1283 HydrophobicContact CG1-CD1 3.93Å; I1236-R1284 HydrophobicContact CD1-CG 4.2Å
1237S96.2Very high87.3Confident68 Ų6869.5 Ų69.548%0.47633%0.33SS..Hα-helixtrans-67.1-37.1175.4-57.60000111.9D1233 I1235 K1240 E1241D1233-S1237 WeakPolarHBondContact O-CB 3.46Å; D1233-S1237 PolarHBondContact O-N 2.97Å; D1233-S1237 PolarHBondContact O-OG 3.21Å; I1235-S1237 VanDerWaalsContact C-N 3.34Å; I1235-S1237 PolarHBondContact O-N 3.34Å; S1237-K1240 PolarHBondContact O-N 3.46Å; S1237-E1241 PolarHBondContact O-N 2.66Å
1238F96Very high87.9Confident9 Ų970.6 Ų70.64%0.03933%0.327CS..Hα-helixtrans-61.3-47.4169.6176.8-89.8000111.3L1217 M1220 Y1221 K1234 I1235 K1240 E1241 Q1242 W1276 I1553 I1557L1217-F1238 HydrophobicContact CD1-CE2 4.04Å; L1217-F1238 HydrophobicContact CD1-CZ 3.82Å; M1220-F1238 HydrophobicContact CB-CD2 4.43Å; M1220-F1238 HydrophobicContact CB-CE2 4.47Å; Y1221-F1238 HydrophobicContact CD2-CD1 4.01Å; Y1221-F1238 HydrophobicContact CD2-CD2 4.29Å; Y1221-F1238 AromaticContact CD2-CE1 3.86Å; Y1221-F1238 HydrophobicContact CD2-CE1 3.86Å; Y1221-F1238 HydrophobicContact CD2-CE2 4.14Å; Y1221-F1238 HydrophobicContact CD2-CG 4.24Å; Y1221-F1238 AromaticContact CD2-CZ 3.93Å; Y1221-F1238 HydrophobicContact CD2-CZ 3.93Å; Y1221-F1238 HydrophobicContact CG-CE2 4.37Å; Y1221-F1238 HydrophobicContact CG-CZ 4.32Å; K1234-F1238 WeakPolarHBondContact O-CB 3.29Å; K1234-F1238 PolarHBondContact O-N 2.94Å; I1235-F1238 WeakPolarHBondContact O-CB 3.26Å; I1235-F1238 PolarHBondContact O-N 3.16Å; F1238-K1240 PolarHBondContact O-N 3.13Å; F1238-E1241 PolarHBondContact O-N 3.09Å; F1238-E1241 VanDerWaalsContact O-N 3.16Å; F1238-Q1242 HydrophobicContact CD1-CG 4.09Å; F1238-Q1242 HydrophobicContact CE1-CG 3.58Å; F1238-Q1242 HydrophobicContact CE2-CG 4.49Å; F1238-Q1242 HydrophobicContact CZ-CG 3.81Å; F1238-Q1242 WeakPolarHBondContact O-CG 3.45Å; F1238-Q1242 PolarHBondContact O-N 3.17Å; F1238-W1276 HydrophobicContact CE1-CH2 4.21Å; F1238-W1276 HydrophobicContact CE1-CZ3 4.48Å; F1238-I1553 HydrophobicContact CE1-CG2 3.52Å; F1238-I1553 HydrophobicContact CZ-CG2 3.77Å; F1238-I1557 HydrophobicContact CD1-CD1 3.88Å; F1238-I1557 HydrophobicContact CE1-CD1 3.92Å
1239C96.6Very high87.9Confident0 Ų064.1 Ų64.10%031%0.306CS..Hα-helixtrans-59.4-43.4175.8-640000112.4I1235 I1236 E1241 Q1242 I1243 W1276 I1280I1235-C1239 PolarHBondContact O-N 3.08Å; I1235-C1239 PolarHBondContact O-SG 2.89Å; I1236-C1239 PolarHBondContact O-N 3.07Å; C1239-E1241 VanDerWaalsContact C-N 3.32Å; C1239-E1241 PolarHBondContact O-N 2.9Å; C1239-Q1242 PolarHBondContact O-N 3.17Å; C1239-I1243 WeakPolarHBondContact O-CG1 3.49Å; C1239-I1243 PolarHBondContact O-N 2.85Å; C1239-W1276 HydrophobicContact CB-CE3 3.89Å; C1239-I1280 HydrophobicContact CB-CD1 3.76Å; C1239-I1280 HydrophobicContact CB-CG1 3.62Å
1240K96.3Very high87.4Confident120 Ų12057.2 Ų57.252%0.52229%0.288SS..Hα-helixtrans-58.2-42173.7-75.6178.2174.5-173.80112.2I1236 S1237 F1238 I1243 R1244 I1280I1236-K1240 WeakPolarHBondContact O-CG 3.48Å; I1236-K1240 PolarHBondContact O-N 3.24Å; S1237-K1240 PolarHBondContact O-N 3.46Å; F1238-K1240 PolarHBondContact O-N 3.13Å; K1240-I1243 WeakPolarHBondContact O-CB 3.35Å; K1240-I1243 PolarHBondContact O-N 3.03Å; K1240-R1244 PolarHBondContact O-N 3.38Å; K1240-I1280 HydrophobicContact CG-CD1 4.16Å
1241E94.4Very high86.2Confident49 Ų4955.2 Ų55.223%0.22928%0.278CS..Hα-helixtrans-69.9-33.8177.4-179.956.2-166.900112.2M1220 S1237 F1238 C1239 I1243 R1244 L1245M1220-E1241 HydrophobicContact CE-CG 3.58Å; S1237-E1241 PolarHBondContact O-N 2.66Å; F1238-E1241 PolarHBondContact O-N 3.09Å; F1238-E1241 VanDerWaalsContact O-N 3.16Å; C1239-E1241 VanDerWaalsContact C-N 3.32Å; C1239-E1241 PolarHBondContact O-N 2.9Å; E1241-I1243 VanDerWaalsContact C-N 3.34Å; E1241-R1244 PolarHBondContact O-N 2.94Å; E1241-R1244 IonicContact OE1-CZ 3.8Å; E1241-R1244 IonicContact OE1-NE 3.98Å; E1241-R1244 PolarHBondContact OE1-NE 2.94Å; E1241-R1244 IonicContact OE1-NH2 3.11Å; E1241-R1244 PolarHBondContact OE1-NH2 2.83Å; E1241-R1244 WeakPolarHBondContact OE2-CD 3.48Å; E1241-R1244 IonicContact OE2-CZ 2.77Å; E1241-R1244 IonicContact OE2-NE 3.88Å; E1241-R1244 PolarHBondContact OE2-NE 3.16Å; E1241-R1244 IonicContact OE2-NH2 2.75Å; E1241-L1245 HydrophobicContact CG-CD1 4.21Å; E1241-L1245 VanDerWaalsContact O-CG 3.29Å; E1241-L1245 WeakPolarHBondContact O-CG 3.47Å; E1241-L1245 PolarHBondContact O-N 3.27Å
1242Q93.7Very high84.6Confident11 Ų1150.2 Ų50.25%0.05126%0.256CS..Hα-helixtrans-63.9-38.4169.2-59.4-60.2-100.400111.8F1238 C1239 G1246 H1272 W1276F1238-Q1242 HydrophobicContact CD1-CG 4.09Å; F1238-Q1242 HydrophobicContact CE1-CG 3.58Å; F1238-Q1242 HydrophobicContact CE2-CG 4.49Å; F1238-Q1242 HydrophobicContact CZ-CG 3.81Å; F1238-Q1242 WeakPolarHBondContact O-CG 3.45Å; F1238-Q1242 PolarHBondContact O-N 3.17Å; C1239-Q1242 PolarHBondContact O-N 3.17Å; Q1242-G1246 PolarHBondContact O-N 3Å; Q1242-H1272 PolarHBondContact O-CE1 3.27Å; Q1242-W1276 HydrophobicContact CB-CD2 3.9Å; Q1242-W1276 VanDerWaalsContact CB-CE2 3.42Å; Q1242-W1276 HydrophobicContact CB-CE3 4.45Å; Q1242-W1276 HydrophobicContact CB-CG 4.37Å; Q1242-W1276 HydrophobicContact CB-CH2 4.22Å; Q1242-W1276 HydrophobicContact CB-CZ2 3.61Å; Q1242-W1276 HydrophobicContact CG-CH2 3.84Å; Q1242-W1276 HydrophobicContact CG-CZ2 3.61Å; Q1242-W1276 HydrophobicContact CG-CZ3 4.36Å
1243I93.7Very high82.6Confident17 Ų1748.5 Ų48.59%0.08725%0.252CS..Hα-helixtrans-63-42.5172.6-63.4164.6000111C1239 K1240 E1241 G1246 R1269 A1273 W1276 I1280C1239-I1243 WeakPolarHBondContact O-CG1 3.49Å; C1239-I1243 PolarHBondContact O-N 2.85Å; K1240-I1243 WeakPolarHBondContact O-CB 3.35Å; K1240-I1243 PolarHBondContact O-N 3.03Å; E1241-I1243 VanDerWaalsContact C-N 3.34Å; I1243-G1246 PolarHBondContact O-N 3.1Å; I1243-R1269 PolarHBondContact O-NH2 2.82Å; I1243-A1273 HydrophobicContact CG2-CB 4.01Å; I1243-W1276 HydrophobicContact CD1-CB 3.64Å; I1243-W1276 HydrophobicContact CG1-CB 3.37Å; I1243-W1276 HydrophobicContact CG1-CG 3.96Å; I1243-I1280 HydrophobicContact CD1-CD1 3.94Å
1244R93Very high80.6Confident117 Ų11745.3 Ų45.344%0.44223%0.234SC..Hα-helixtrans-57.5-54.4176.8-167.1-175.872.799.73.6110.6K1240 E1241 G1246 R1269 D2204K1240-R1244 PolarHBondContact O-N 3.38Å; E1241-R1244 PolarHBondContact O-N 2.94Å; E1241-R1244 IonicContact OE1-CZ 3.8Å; E1241-R1244 IonicContact OE1-NE 3.98Å; E1241-R1244 PolarHBondContact OE1-NE 2.94Å; E1241-R1244 IonicContact OE1-NH2 3.11Å; E1241-R1244 PolarHBondContact OE1-NH2 2.83Å; E1241-R1244 WeakPolarHBondContact OE2-CD 3.48Å; E1241-R1244 IonicContact OE2-CZ 2.77Å; E1241-R1244 IonicContact OE2-NE 3.88Å; E1241-R1244 PolarHBondContact OE2-NE 3.16Å; E1241-R1244 IonicContact OE2-NH2 2.75Å; R1244-G1246 VanDerWaalsContact C-N 3.35Å; R1244-G1246 PolarHBondContact O-N 3.19Å; R1244-R1269 PolarHBondContact O-NH1 3.28Å; R1244-R1269 VanDerWaalsContact O-NH1 3.16Å; R1244-R1269 PolarHBondContact O-NH2 3.47Å; R1244-D2204 IonicContact NH1-OD2 2.67Å
1245L89.1Confident78.1Confident102 Ų10247.2 Ų47.253%0.53424%0.239SC..Hα-helixtrans-62.8-38.1179.5-64.7168.5000112.5E1241E1241-L1245 HydrophobicContact CG-CD1 4.21Å; E1241-L1245 VanDerWaalsContact O-CG 3.29Å; E1241-L1245 WeakPolarHBondContact O-CG 3.47Å; E1241-L1245 PolarHBondContact O-N 3.27Å
1246G86.5Confident75.5Confident6 Ų648.2 Ų48.26%0.06225%0.248CC..  trans78.9-175.4-177.700000113.8Q1242 I1243 R1244 T1248 H1272Q1242-G1246 PolarHBondContact O-N 3Å; I1243-G1246 PolarHBondContact O-N 3.1Å; R1244-G1246 VanDerWaalsContact C-N 3.35Å; R1244-G1246 PolarHBondContact O-N 3.19Å; G1246-T1248 PolarHBondContact O-N 3.21Å; G1246-H1272 PolarHBondContact O-CE1 3.35Å; G1246-H1272 VanDerWaalsContact O-CE1 3.25Å
1247P82.1Confident72.8Confident7 Ų751.4 Ų51.45%0.04527%0.268CS..SBendtrans-70.2129.2-171.623.8-30.3000112T1252 V1265 H1272 Y1499P1247-T1252 HydrophobicContact CB-CG2 4.07Å; P1247-T1252 HydrophobicContact CG-CG2 4.44Å; P1247-V1265 HydrophobicContact CG-CG1 3.92Å; P1247-V1265 WeakPolarHBondContact O-CG1 3.42Å; P1247-H1272 HydrophobicContact CB-CB 3.95Å; P1247-H1272 HydrophobicContact CG-CB 3.98Å; P1247-Y1499 HydrophobicContact CB-CE2 3.94Å
1248T70.1Confident70Confident70 Ų7050.6 Ų50.643%0.42926%0.257SS..  trans-68.6145178.8620000111.7G1246 G1250 C1251 E1550G1246-T1248 PolarHBondContact O-N 3.21Å; T1248-G1250 PolarHBondContact O-N 2.88Å; T1248-C1251 PolarHBondContact O-N 2.87Å; T1248-E1550 WeakPolarHBondContact CB-OE2 3.23Å; T1248-E1550 WeakPolarHBondContact CG2-OE2 3.19Å; T1248-E1550 PolarHBondContact OG1-OE2 2.66Å
1249K60.1Low67.2Low127 Ų12756.5 Ų56.555%0.55228%0.282SS*.THydrogen-bonded Turntrans-54.9-20.6-178-64.7169-176.8157.80114
1250G57.4Low64.4Low41 Ų4162.7 Ų62.742%0.42331%0.309SS..THydrogen-bonded Turntrans-80.8-24.2176.500000114.6T1248 K1541T1248-G1250 PolarHBondContact O-N 2.88Å; G1250-K1541 PolarHBondContact O-NZ 3.19Å
1251C52.7Low61.9Low2 Ų261.8 Ų61.81%0.01432%0.315CS..THydrogen-bonded Turntrans-82.3-37.5-178.3-79.20000113T1248 A1253 I1498 Y1499 G1536T1248-C1251 PolarHBondContact O-N 2.87Å; C1251-A1253 PolarHBondContact O-N 2.94Å; C1251-I1498 VanDerWaalsContact O-CD1 3.24Å; C1251-I1498 WeakPolarHBondContact O-CD1 3.34Å; C1251-Y1499 WeakPolarHBondContact CB-OH 3.12Å; C1251-G1536 WeakPolarHBondContact CB-O 3.27Å; C1251-G1536 PolarHBondContact SG-O 3.15Å
1252T51.6Low59.2Low21 Ų2161.7 Ų61.713%0.12932%0.315CS..SBendtrans-76.4-21.3-170.754.20000115.6P1247 L1254 Y1268P1247-T1252 HydrophobicContact CB-CG2 4.07Å; P1247-T1252 HydrophobicContact CG-CG2 4.44Å; T1252-L1254 PolarHBondContact O-N 2.97Å; T1252-L1254 VanDerWaalsContact O-N 3.14Å; T1252-Y1268 HydrophobicContact CG2-CD2 3.53Å; T1252-Y1268 HydrophobicContact CG2-CE2 4.28Å; T1252-Y1268 HydrophobicContact CG2-CG 3.84Å
1253A49.2Very low56.7Low17 Ų1762.2 Ų62.214%0.1432%0.324CS..  trans-77.498.5-17600000113.1C1251 Y1255 K1541C1251-A1253 PolarHBondContact O-N 2.94Å; A1253-Y1255 HydrophobicContact CB-CE2 4.08Å; A1253-K1541 WeakPolarHBondContact O-CE 3.4Å; A1253-K1541 PolarHBondContact O-NZ 3.49Å
1254L50.1Low54.6Low15 Ų1565.1 Ų65.18%0.07935%0.345CS..  trans-90.5101173.7-99170.9000112.4T1252 A1256 F1493 I1498 S1538T1252-L1254 PolarHBondContact O-N 2.97Å; T1252-L1254 VanDerWaalsContact O-N 3.14Å; L1254-A1256 VanDerWaalsContact C-N 3.31Å; L1254-A1256 PolarHBondContact O-N 2.89Å; L1254-F1493 HydrophobicContact CD2-CE1 4.5Å; L1254-I1498 HydrophobicContact CD1-CD1 4.21Å; L1254-I1498 HydrophobicContact CD1-CG1 3.65Å; L1254-I1498 HydrophobicContact CG-CD1 4.03Å; L1254-I1498 HydrophobicContact CG-CG1 4.04Å; L1254-S1538 VanDerWaalsContact CD2-CB 3.49Å; L1254-S1538 WeakPolarHBondContact CD2-OG 3.45Å
1255Y41.3Very low52.8Low179 Ų17962.3 Ų62.370%0.70234%0.341SS*.THydrogen-bonded Turntrans-76.4-5-177.2-80.5-75.9000116.1A1253A1253-Y1255 HydrophobicContact CB-CE2 4.08Å
1256A39Very low51.5Low22 Ų2261.3 Ų61.318%0.18234%0.339CS..THydrogen-bonded Turntrans-79.7-28.6-17000000115.2L1254 T1523 Y1540L1254-A1256 VanDerWaalsContact C-N 3.31Å; L1254-A1256 PolarHBondContact O-N 2.89Å; A1256-T1523 VanDerWaalsContact O-CB 3.3Å; A1256-T1523 WeakPolarHBondContact O-CB 3.5Å; A1256-T1523 VanDerWaalsContact O-CG2 3.3Å; A1256-T1523 WeakPolarHBondContact O-CG2 3.4Å; A1256-Y1540 HydrophobicContact CB-CD1 4.35Å; A1256-Y1540 HydrophobicContact CB-CG 4.24Å
1257T39.4Very low50.7Low80 Ų8062.9 Ų62.949%0.49135%0.345SS..THydrogen-bonded Turntrans-137-25.8-17151.90000115.1T1523T1257-T1523 VanDerWaalsContact CG2-O 3.26Å; T1257-T1523 WeakPolarHBondContact CG2-O 3.49Å
1258Q37.7Very low50.6Low51 Ų5163.1 Ų63.124%0.23834%0.344CS..  trans-102.8124.5-173.2-61.2-176.83.200110.8K1260 R1495Q1258-K1260 WeakPolarHBondContact CB-O 3.44Å; Q1258-K1260 PolarHBondContact O-N 3.21Å; Q1258-K1260 VanDerWaalsContact O-N 3.14Å; Q1258-R1495 PolarHBondContact NE2-O 3.2Å
1259K38Very low51.4Low133 Ų13363.6 Ų63.658%0.57834%0.338SS*.SBendtrans-72.3-3.4-173.7-68170-177.5164.60114.5N973N973-K1259 HydrophobicContact CB-CD 4.38Å; N973-K1259 VanDerWaalsContact CG-CE 3.41Å; N973-K1259 WeakPolarHBondContact OD1-CE 3.47Å; N973-K1259 PolarHBondContact OD1-NZ 2.8Å
1260K37.9Very low52.9Low130 Ų13058.1 Ų58.157%0.56532%0.317SS*.SBendtrans-150.6158.6173.8-70.5175.6-178.5176.20106.3Q1258 Q1262Q1258-K1260 WeakPolarHBondContact CB-O 3.44Å; Q1258-K1260 PolarHBondContact O-N 3.21Å; Q1258-K1260 VanDerWaalsContact O-N 3.14Å; K1260-Q1262 VanDerWaalsContact C-N 3.27Å; K1260-Q1262 HydrophobicContact CB-CG 3.89Å; K1260-Q1262 PolarHBondContact O-N 3.33Å
1261P43.1Very low54.6Low100 Ų10056.4 Ų56.465%0.64930%0.299SS*.  trans-70.584.8164.930.3-33.3000109.8G1263P1261-G1263 PolarHBondContact O-N 3.17Å
1262Q37Very low56.6Low47 Ų4756.4 Ų56.422%0.2230%0.298CS..  trans-81.463.8-173.6-71.5-51.484.200112.4K1260 K1267 E1315K1260-Q1262 VanDerWaalsContact C-N 3.27Å; K1260-Q1262 HydrophobicContact CB-CG 3.89Å; K1260-Q1262 PolarHBondContact O-N 3.33Å; Q1262-K1267 PolarHBondContact O-NZ 3.05Å; Q1262-E1315 VanDerWaalsContact CA-OE1 3.3Å; Q1262-E1315 WeakPolarHBondContact CA-OE1 3.23Å; Q1262-E1315 WeakPolarHBondContact CB-OE1 3.29Å; Q1262-E1315 WeakPolarHBondContact CB-OE2 3.47Å; Q1262-E1315 VanDerWaalsContact CD-OE2 3.25Å; Q1262-E1315 VanDerWaalsContact CG-OE2 3.29Å; Q1262-E1315 WeakPolarHBondContact CG-OE2 3.29Å; Q1262-E1315 PolarHBondContact NE2-OE1 3.48Å; Q1262-E1315 VanDerWaalsContact NE2-OE1 3.1Å; Q1262-E1315 PolarHBondContact NE2-OE2 3.37Å
1263G42.9Very low58.6Low23 Ų2355.4 Ų55.424%0.23729%0.293CS..SBendtrans-176125.317600000111.6P1261P1261-G1263 PolarHBondContact O-N 3.17Å
1264S49.4Very low60.9Low77 Ų7754.6 Ų54.654%0.53829%0.286SS..  trans-55.9152158.9-178.80000109.4T1266 K1267S1264-T1266 PolarHBondContact O-N 2.67Å; S1264-T1266 PolarHBondContact OG-N 3.28Å; S1264-T1266 PolarHBondContact OG-OG1 2.68Å; S1264-K1267 VanDerWaalsContact O-CB 3.28Å; S1264-K1267 WeakPolarHBondContact O-CB 3.36Å; S1264-K1267 PolarHBondContact O-N 2.97Å
1265V54Low63.1Low58 Ų5853.9 Ų53.935%0.35228%0.282SS..Hα-helixtrans-55-27.8173.8-175.10000111.1P1247 K1267 Y1268 R1269P1247-V1265 HydrophobicContact CG-CG1 3.92Å; P1247-V1265 WeakPolarHBondContact O-CG1 3.42Å; V1265-K1267 VanDerWaalsContact C-N 3.33Å; V1265-K1267 PolarHBondContact O-N 2.92Å; V1265-Y1268 PolarHBondContact O-N 3.12Å; V1265-R1269 PolarHBondContact O-N 3.04Å
1266T62.4Low65.7Low82 Ų8245.4 Ų45.450%0.50325%0.249SC..Hα-helixtrans-50.4-46.6171.3-29.50000113.2S1264 Y1268 R1269S1264-T1266 PolarHBondContact O-N 2.67Å; S1264-T1266 PolarHBondContact OG-N 3.28Å; S1264-T1266 PolarHBondContact OG-OG1 2.68Å; T1266-Y1268 PolarHBondContact O-N 3.43Å; T1266-Y1268 VanDerWaalsContact O-N 3.12Å; T1266-R1269 VanDerWaalsContact O-CB 3.29Å; T1266-R1269 WeakPolarHBondContact O-CB 3.37Å; T1266-R1269 PolarHBondContact O-N 3.43Å
1267K69.4Low68.5Low39 Ų3947 Ų4717%0.1725%0.252CS..Hα-helixtrans-58-30.8-173.2-170173.8-174.3167.60113.1Q1262 S1264 V1265Q1262-K1267 PolarHBondContact O-NZ 3.05Å; S1264-K1267 VanDerWaalsContact O-CB 3.28Å; S1264-K1267 WeakPolarHBondContact O-CB 3.36Å; S1264-K1267 PolarHBondContact O-N 2.97Å; V1265-K1267 VanDerWaalsContact C-N 3.33Å; V1265-K1267 PolarHBondContact O-N 2.92Å
1268Y79.9Confident71.3Confident11 Ų1143.3 Ų43.34%0.04323%0.23CC..Hα-helixtrans-102.7-4.1179.9-51.2-74000113.3T1252 V1265 T1266 A1270 S1271 H1272 G1496 D1497T1252-Y1268 HydrophobicContact CG2-CD2 3.53Å; T1252-Y1268 HydrophobicContact CG2-CE2 4.28Å; T1252-Y1268 HydrophobicContact CG2-CG 3.84Å; V1265-Y1268 PolarHBondContact O-N 3.12Å; T1266-Y1268 PolarHBondContact O-N 3.43Å; T1266-Y1268 VanDerWaalsContact O-N 3.12Å; Y1268-A1270 VanDerWaalsContact C-N 3.3Å; Y1268-A1270 PolarHBondContact O-N 2.55Å; Y1268-S1271 PolarHBondContact O-OG 2.69Å; Y1268-H1272 VanDerWaalsContact O-CB 3.26Å; Y1268-H1272 WeakPolarHBondContact O-CB 3.31Å; Y1268-H1272 PolarHBondContact O-N 2.64Å; Y1268-G1496 VanDerWaalsContact CE1-O 3.32Å; Y1268-G1496 WeakPolarHBondContact CE1-O 3.38Å; Y1268-D1497 HydrophobicContact CD1-CB 4.34Å; Y1268-D1497 HydrophobicContact CE1-CB 4.36Å
1269R88.2Confident74.1Confident80 Ų8040.9 Ų40.930%0.30222%0.218SC..Hα-helixtrans-64-38.9-177.7-174.7175.2177.291.96.2111.4I1243 R1244 V1265 T1266 A1273 Y1305I1243-R1269 PolarHBondContact O-NH2 2.82Å; R1244-R1269 PolarHBondContact O-NH1 3.28Å; R1244-R1269 VanDerWaalsContact O-NH1 3.16Å; R1244-R1269 PolarHBondContact O-NH2 3.47Å; V1265-R1269 PolarHBondContact O-N 3.04Å; T1266-R1269 VanDerWaalsContact O-CB 3.29Å; T1266-R1269 WeakPolarHBondContact O-CB 3.37Å; T1266-R1269 PolarHBondContact O-N 3.43Å; R1269-A1273 WeakPolarHBondContact O-CB 3.46Å; R1269-A1273 PolarHBondContact O-N 2.97Å; R1269-Y1305 HydrophobicContact CG-CE1 4.47Å
1270A90.9Very high76.9Confident13 Ų1334.8 Ų34.811%0.10719%0.192CC..Hα-helixtrans-67.8-43.7-178.400000113.1Y1268 A1273 L1274 N1301 Y1305 R1464Y1268-A1270 VanDerWaalsContact C-N 3.3Å; Y1268-A1270 PolarHBondContact O-N 2.55Å; A1270-A1273 PolarHBondContact O-N 3.39Å; A1270-L1274 WeakPolarHBondContact O-CB 3.46Å; A1270-L1274 PolarHBondContact O-N 2.94Å; A1270-N1301 PolarHBondContact O-ND2 3.44Å; A1270-N1301 VanDerWaalsContact O-ND2 3.12Å; A1270-N1301 PolarHBondContact O-OD1 3.43Å; A1270-Y1305 HydrophobicContact CB-CD1 3.97Å; A1270-Y1305 HydrophobicContact CB-CD2 3.8Å; A1270-Y1305 HydrophobicContact CB-CG 3.44Å; A1270-Y1305 VanDerWaalsContact CB-CG 3.44Å; A1270-R1464 VanDerWaalsContact CB-NH2 3.27Å
1271S93Very high79.7Confident5 Ų530 Ų304%0.03517%0.172CC..Hα-helixtrans-74.5-30.217750.70000112.7Y1268 M1275 D1497 Y1499Y1268-S1271 PolarHBondContact O-OG 2.69Å; S1271-M1275 WeakPolarHBondContact O-CB 3.2Å; S1271-M1275 PolarHBondContact O-N 3.24Å; S1271-D1497 WeakPolarHBondContact CB-OD2 3.42Å; S1271-D1497 VanDerWaalsContact OG-CG 3.25Å; S1271-D1497 PolarHBondContact OG-OD1 2.72Å; S1271-D1497 VanDerWaalsContact OG-OD1 3.09Å; S1271-D1497 PolarHBondContact OG-OD2 3.35Å; S1271-Y1499 WeakPolarHBondContact O-CB 3.44Å
1272H93.6Very high82.3Confident1 Ų125.6 Ų25.61%0.00514%0.144CC..Hα-helixtrans-62.1-49166.1-179.8-103.6000111.8Q1242 G1246 P1247 Y1268 L1274 M1275 W1276 Y1499 E1550Q1242-H1272 PolarHBondContact O-CE1 3.27Å; G1246-H1272 PolarHBondContact O-CE1 3.35Å; G1246-H1272 VanDerWaalsContact O-CE1 3.25Å; P1247-H1272 HydrophobicContact CB-CB 3.95Å; P1247-H1272 HydrophobicContact CG-CB 3.98Å; Y1268-H1272 VanDerWaalsContact O-CB 3.26Å; Y1268-H1272 WeakPolarHBondContact O-CB 3.31Å; Y1268-H1272 PolarHBondContact O-N 2.64Å; H1272-L1274 PolarHBondContact O-N 3.08Å; H1272-M1275 WeakPolarHBondContact O-CB 3.43Å; H1272-M1275 PolarHBondContact O-N 2.99Å; H1272-W1276 AromaticContact CD2-NE1 3.65Å; H1272-W1276 AromaticContact CE1-CD1 3.51Å; H1272-W1276 AromaticContact CE1-NE1 3.16Å; H1272-W1276 PolarHBondContact CE1-NE1 2.96Å; H1272-W1276 AromaticContact CG-CD1 4Å; H1272-W1276 AromaticContact ND1-CD1 3.66Å; H1272-W1276 AromaticContact ND1-NE1 3.77Å; H1272-W1276 AromaticContact NE2-CD1 3.77Å; H1272-W1276 AromaticContact NE2-NE1 3.08Å; H1272-W1276 PolarHBondContact NE2-NE1 3.27Å; H1272-W1276 PolarHBondContact O-N 3.43Å; H1272-W1276 VanDerWaalsContact O-N 3.13Å; H1272-Y1499 HydrophobicContact CB-CD2 4.26Å; H1272-Y1499 HydrophobicContact CB-CE2 4.3Å; H1272-Y1499 HydrophobicContact CB-CG 4.39Å; H1272-Y1499 AromaticContact CD2-CE1 3.58Å; H1272-Y1499 AromaticContact CD2-CZ 3.52Å; H1272-E1550 IonicContact CD2-OE1 2.87Å; H1272-E1550 IonicContact CE1-OE1 3.68Å; H1272-E1550 IonicContact NE2-OE1 2.67Å; H1272-E1550 PolarHBondContact NE2-OE1 3.27Å
1273A94.9Very high85Confident1 Ų123.4 Ų23.41%0.00813%0.133CC..Hα-helixtrans-59.7-45.2176.900000111.7I1243 R1269 A1270 M1275 W1276 H1277 Y1305I1243-A1273 HydrophobicContact CG2-CB 4.01Å; R1269-A1273 WeakPolarHBondContact O-CB 3.46Å; R1269-A1273 PolarHBondContact O-N 2.97Å; A1270-A1273 PolarHBondContact O-N 3.39Å; A1273-M1275 PolarHBondContact O-N 2.97Å; A1273-W1276 PolarHBondContact O-N 3.37Å; A1273-H1277 WeakPolarHBondContact O-CB 3.3Å; A1273-H1277 PolarHBondContact O-N 3.35Å; A1273-H1277 PolarHBondContact O-ND1 2.92Å; A1273-Y1305 HydrophobicContact CB-CE2 3.9Å
1274L96.1Very high87.5Confident0 Ų030 Ų300%015%0.151CC..Hα-helixtrans-57.7-42.6175.2178.760000112.9A1270 H1272 H1277 L1278 L1297 L1298 N1301 W1463 F1503A1270-L1274 WeakPolarHBondContact O-CB 3.46Å; A1270-L1274 PolarHBondContact O-N 2.94Å; H1272-L1274 PolarHBondContact O-N 3.08Å; L1274-H1277 PolarHBondContact O-N 2.91Å; L1274-L1278 PolarHBondContact O-N 2.76Å; L1274-L1297 HydrophobicContact CD1-CD1 4.12Å; L1274-L1297 HydrophobicContact CD1-CD2 4.17Å; L1274-L1297 HydrophobicContact CD1-CG 3.73Å; L1274-L1298 HydrophobicContact CD1-CD2 4.36Å; L1274-L1298 HydrophobicContact CD2-CD2 3.77Å; L1274-N1301 HydrophobicContact CB-CB 4.45Å; L1274-N1301 HydrophobicContact CD1-CB 3.93Å; L1274-W1463 HydrophobicContact CD2-CH2 3.47Å; L1274-W1463 VanDerWaalsContact CD2-CH2 3.47Å; L1274-W1463 HydrophobicContact CD2-CZ2 3.81Å; L1274-F1503 HydrophobicContact CD1-CD2 4.26Å; L1274-F1503 HydrophobicContact CD1-CE2 3.56Å; L1274-F1503 HydrophobicContact CD1-CZ 3.98Å; L1274-F1503 HydrophobicContact CD2-CD2 4.05Å; L1274-F1503 HydrophobicContact CD2-CE2 4.03Å; L1274-F1503 HydrophobicContact CD2-CG 4.36Å; L1274-F1503 HydrophobicContact CD2-CZ 4.36Å; L1274-F1503 HydrophobicContact CG-CD2 3.69Å; L1274-F1503 HydrophobicContact CG-CE2 3.51Å; L1274-F1503 HydrophobicContact CG-CG 4.47Å; L1274-F1503 HydrophobicContact CG-CZ 4.2Å
1275M96.5Very high89.7Confident0 Ų029.7 Ų29.70%014%0.141CC..Hα-helixtrans-61-44.7175.4-179.861.962.400111.6S1271 H1272 A1273 L1278 L1279 Y1499 H1502 F1503 L1506 M1554S1271-M1275 WeakPolarHBondContact O-CB 3.2Å; S1271-M1275 PolarHBondContact O-N 3.24Å; H1272-M1275 WeakPolarHBondContact O-CB 3.43Å; H1272-M1275 PolarHBondContact O-N 2.99Å; A1273-M1275 PolarHBondContact O-N 2.97Å; M1275-L1278 PolarHBondContact O-N 3.28Å; M1275-L1279 WeakPolarHBondContact O-CG 3.38Å; M1275-L1279 PolarHBondContact O-N 2.88Å; M1275-Y1499 HydrophobicContact CB-CD1 4.4Å; M1275-Y1499 VanDerWaalsContact CE-O 3.23Å; M1275-Y1499 WeakPolarHBondContact CE-O 3.4Å; M1275-Y1499 HydrophobicContact CG-CD1 4.45Å; M1275-H1502 HydrophobicContact CE-CB 3.8Å; M1275-F1503 HydrophobicContact CE-CB 4.03Å; M1275-L1506 HydrophobicContact CE-CD1 4.36Å; M1275-L1506 HydrophobicContact SD-CD1 3.89Å; M1275-M1554 HydrophobicContact CG-CE 3.89Å; M1275-M1554 HydrophobicContact CG-SD 3.56Å; M1275-M1554 VanDerWaalsContact CG-SD 3.56Å; M1275-M1554 HydrophobicContact SD-SD 4.38Å
1276W97.1Very high91.5Very high0 Ų030.9 Ų30.90%015%0.145CC..Hα-helixtrans-70.4-36.6176.7-72.6113000113F1238 C1239 Q1242 I1243 H1272 A1273 L1279 I1280 E1550 M1554 I1557F1238-W1276 HydrophobicContact CE1-CH2 4.21Å; F1238-W1276 HydrophobicContact CE1-CZ3 4.48Å; C1239-W1276 HydrophobicContact CB-CE3 3.89Å; Q1242-W1276 HydrophobicContact CB-CD2 3.9Å; Q1242-W1276 VanDerWaalsContact CB-CE2 3.42Å; Q1242-W1276 HydrophobicContact CB-CE3 4.45Å; Q1242-W1276 HydrophobicContact CB-CG 4.37Å; Q1242-W1276 HydrophobicContact CB-CH2 4.22Å; Q1242-W1276 HydrophobicContact CB-CZ2 3.61Å; Q1242-W1276 HydrophobicContact CG-CH2 3.84Å; Q1242-W1276 HydrophobicContact CG-CZ2 3.61Å; Q1242-W1276 HydrophobicContact CG-CZ3 4.36Å; I1243-W1276 HydrophobicContact CD1-CB 3.64Å; I1243-W1276 HydrophobicContact CG1-CB 3.37Å; I1243-W1276 HydrophobicContact CG1-CG 3.96Å; H1272-W1276 AromaticContact CD2-NE1 3.65Å; H1272-W1276 AromaticContact CE1-CD1 3.51Å; H1272-W1276 AromaticContact CE1-NE1 3.16Å; H1272-W1276 PolarHBondContact CE1-NE1 2.96Å; H1272-W1276 AromaticContact CG-CD1 4Å; H1272-W1276 AromaticContact ND1-CD1 3.66Å; H1272-W1276 AromaticContact ND1-NE1 3.77Å; H1272-W1276 AromaticContact NE2-CD1 3.77Å; H1272-W1276 AromaticContact NE2-NE1 3.08Å; H1272-W1276 PolarHBondContact NE2-NE1 3.27Å; H1272-W1276 PolarHBondContact O-N 3.43Å; H1272-W1276 VanDerWaalsContact O-N 3.13Å; A1273-W1276 PolarHBondContact O-N 3.37Å; W1276-L1279 HydrophobicContact CE3-CD1 3.79Å; W1276-L1279 HydrophobicContact CZ3-CD1 3.9Å; W1276-L1279 WeakPolarHBondContact O-CB 3.3Å; W1276-L1279 PolarHBondContact O-N 3.41Å; W1276-I1280 WeakPolarHBondContact O-CG1 3.06Å; W1276-I1280 PolarHBondContact O-N 3.16Å; W1276-E1550 HydrophobicContact CZ2-CG 4.36Å; W1276-M1554 HydrophobicContact CD2-CE 4.05Å; W1276-M1554 HydrophobicContact CH2-CB 3.87Å; W1276-M1554 HydrophobicContact CH2-CE 4.09Å; W1276-M1554 HydrophobicContact CH2-CG 4.13Å; W1276-M1554 HydrophobicContact CZ2-CB 4.27Å; W1276-M1554 HydrophobicContact CZ2-CE 3.38Å; W1276-M1554 HydrophobicContact CZ2-CG 4.37Å; W1276-M1554 HydrophobicContact CZ3-CB 4.44Å; W1276-M1554 HydrophobicContact CZ3-CG 4.38Å; W1276-I1557 HydrophobicContact CH2-CD1 4.26Å; W1276-I1557 HydrophobicContact CZ3-CD1 3.72Å
1277H97.4Very high92.8Very high55 Ų5527 Ų2726%0.25512%0.122SC..Hα-helixtrans-64-37.7173.8-74.8143.3000112.1A1273 L1274 L1279 I1280 L1281 L1297 E1304A1273-H1277 WeakPolarHBondContact O-CB 3.3Å; A1273-H1277 PolarHBondContact O-N 3.35Å; A1273-H1277 PolarHBondContact O-ND1 2.92Å; L1274-H1277 PolarHBondContact O-N 2.91Å; H1277-L1279 VanDerWaalsContact C-N 3.31Å; H1277-L1279 PolarHBondContact O-N 3.44Å; H1277-I1280 PolarHBondContact O-N 2.95Å; H1277-L1281 WeakPolarHBondContact O-CB 3.42Å; H1277-L1281 PolarHBondContact O-N 2.93Å; H1277-L1297 HydrophobicContact CB-CD1 3.6Å; H1277-E1304 IonicContact CE1-OE2 3.82Å
1278L97.5Very high93.8Very high3 Ų331.2 Ų31.22%0.01614%0.137CC..Hα-helixtrans-59.2-41171.2-18064.6000112L1274 M1275 L1281 L1282 I1289 L1297 F1503 L1506L1274-L1278 PolarHBondContact O-N 2.76Å; M1275-L1278 PolarHBondContact O-N 3.28Å; L1278-L1281 PolarHBondContact O-N 3.4Å; L1278-L1282 HydrophobicContact CG-CD1 4.21Å; L1278-L1282 WeakPolarHBondContact O-CB 3.4Å; L1278-L1282 WeakPolarHBondContact O-CG 3.41Å; L1278-L1282 PolarHBondContact O-N 2.93Å; L1278-I1289 HydrophobicContact CD1-CD1 3.75Å; L1278-L1297 HydrophobicContact CB-CD2 4.11Å; L1278-L1297 HydrophobicContact CD1-CD2 4.31Å; L1278-F1503 HydrophobicContact CB-CD2 4.33Å; L1278-F1503 HydrophobicContact CB-CE2 3.96Å; L1278-F1503 HydrophobicContact CD1-CE2 4.35Å; L1278-F1503 HydrophobicContact CD2-CD2 3.78Å; L1278-F1503 HydrophobicContact CD2-CE2 3.84Å; L1278-F1503 HydrophobicContact CG-CE2 4.26Å; L1278-L1506 HydrophobicContact CD2-CB 4.41Å; L1278-L1506 HydrophobicContact CD2-CD1 4.02Å
1279L97.1Very high94.4Very high0 Ų032.6 Ų32.60%015%0.145CC..Hα-helixtrans-67.2-38.4175.2-63.3178.7000112.1M1275 W1276 H1277 L1282 L1283 M1554 I1557 Y1558M1275-L1279 WeakPolarHBondContact O-CG 3.38Å; M1275-L1279 PolarHBondContact O-N 2.88Å; W1276-L1279 HydrophobicContact CE3-CD1 3.79Å; W1276-L1279 HydrophobicContact CZ3-CD1 3.9Å; W1276-L1279 WeakPolarHBondContact O-CB 3.3Å; W1276-L1279 PolarHBondContact O-N 3.41Å; H1277-L1279 VanDerWaalsContact C-N 3.31Å; H1277-L1279 PolarHBondContact O-N 3.44Å; L1279-L1282 HydrophobicContact CD2-CD1 4.39Å; L1279-L1282 PolarHBondContact O-N 2.69Å; L1279-L1283 WeakPolarHBondContact O-CB 3.4Å; L1279-L1283 WeakPolarHBondContact O-CD1 3.1Å; L1279-L1283 WeakPolarHBondContact O-CG 3.4Å; L1279-L1283 PolarHBondContact O-N 3.1Å; L1279-M1554 HydrophobicContact CD1-CG 3.73Å; L1279-I1557 HydrophobicContact CB-CG2 4.09Å; L1279-I1557 HydrophobicContact CD1-CB 4.37Å; L1279-I1557 HydrophobicContact CD1-CG2 4.04Å; L1279-I1557 HydrophobicContact CG-CG2 4.44Å; L1279-Y1558 HydrophobicContact CD2-CD2 4.13Å; L1279-Y1558 HydrophobicContact CD2-CG 4.43Å
1280I97.4Very high94.6Very high5 Ų530.2 Ų30.23%0.02614%0.143CC..Hα-helixtrans-64.5-41.7174-68.5168.5000111.1I1236 C1239 K1240 I1243 W1276 H1277 L1283 R1284I1236-I1280 HydrophobicContact CG2-CD1 4.45Å; I1236-I1280 HydrophobicContact CG2-CG1 4.21Å; I1236-I1280 HydrophobicContact CG2-CG2 3.99Å; C1239-I1280 HydrophobicContact CB-CD1 3.76Å; C1239-I1280 HydrophobicContact CB-CG1 3.62Å; K1240-I1280 HydrophobicContact CG-CD1 4.16Å; I1243-I1280 HydrophobicContact CD1-CD1 3.94Å; W1276-I1280 WeakPolarHBondContact O-CG1 3.06Å; W1276-I1280 PolarHBondContact O-N 3.16Å; H1277-I1280 PolarHBondContact O-N 2.95Å; I1280-L1283 PolarHBondContact O-N 2.64Å; I1280-R1284 HydrophobicContact CG2-CG 4.47Å; I1280-R1284 WeakPolarHBondContact O-CB 3.17Å; I1280-R1284 VanDerWaalsContact O-CG 3.32Å; I1280-R1284 WeakPolarHBondContact O-CG 3.18Å; I1280-R1284 PolarHBondContact O-N 3.18Å
1281L96.9Very high94.7Very high30 Ų3032.8 Ų32.816%0.15716%0.155CC..Hα-helixtrans-61-49.7175.7-176.864.4000111.1H1277 L1278 L1283 R1284 Q1285 I1289 D1293 L1297H1277-L1281 WeakPolarHBondContact O-CB 3.42Å; H1277-L1281 PolarHBondContact O-N 2.93Å; L1278-L1281 PolarHBondContact O-N 3.4Å; L1281-L1283 VanDerWaalsContact C-N 3.35Å; L1281-L1283 PolarHBondContact O-N 3.03Å; L1281-R1284 PolarHBondContact O-N 2.88Å; L1281-Q1285 HydrophobicContact CD1-CG 4.24Å; L1281-Q1285 PolarHBondContact O-N 3.14Å; L1281-I1289 HydrophobicContact CD2-CG2 4.29Å; L1281-I1289 HydrophobicContact CG-CG2 4.06Å; L1281-D1293 HydrophobicContact CD2-CB 4.01Å; L1281-L1297 HydrophobicContact CD2-CD2 4.11Å
1282L95.9Very high94.8Very high8 Ų836.2 Ų36.24%0.04218%0.175CC..Hα-helixtrans-57.8-41.3174.1-79.2160.6000112.7L1278 L1279 N1286 G1287 I1289 Y1558 A1561L1278-L1282 HydrophobicContact CG-CD1 4.21Å; L1278-L1282 WeakPolarHBondContact O-CB 3.4Å; L1278-L1282 WeakPolarHBondContact O-CG 3.41Å; L1278-L1282 PolarHBondContact O-N 2.93Å; L1279-L1282 HydrophobicContact CD2-CD1 4.39Å; L1279-L1282 PolarHBondContact O-N 2.69Å; L1282-N1286 PolarHBondContact O-N 3.1Å; L1282-G1287 PolarHBondContact O-N 3.36Å; L1282-I1289 HydrophobicContact CD2-CD1 4.29Å; L1282-I1289 HydrophobicContact CD2-CG2 3.69Å; L1282-I1289 HydrophobicContact CG-CD1 4.43Å; L1282-I1289 HydrophobicContact CG-CG2 3.9Å; L1282-Y1558 HydrophobicContact CD1-CD2 4.04Å; L1282-Y1558 HydrophobicContact CD1-CE2 4.18Å; L1282-A1561 HydrophobicContact CB-CB 3.87Å
1283L95.2Very high94.9Very high0 Ų037.9 Ų37.90%019%0.185CC..Hα-helixtrans-66.7-42177.5-73.4165.1000112.4K1232 I1235 I1236 L1279 I1280 L1281 I1557 Y1560 A1561 L1564K1232-L1283 PolarHBondContact NZ-O 2.99Å; I1235-L1283 HydrophobicContact CB-CD1 4.09Å; I1235-L1283 HydrophobicContact CD1-CD2 4.13Å; I1235-L1283 HydrophobicContact CG2-CD1 3.74Å; I1235-L1283 HydrophobicContact CG2-CD2 4.41Å; I1236-L1283 HydrophobicContact CD1-CB 4.25Å; I1236-L1283 HydrophobicContact CG1-CB 4.07Å; I1236-L1283 HydrophobicContact CG1-CD1 3.93Å; L1279-L1283 WeakPolarHBondContact O-CB 3.4Å; L1279-L1283 WeakPolarHBondContact O-CD1 3.1Å; L1279-L1283 WeakPolarHBondContact O-CG 3.4Å; L1279-L1283 PolarHBondContact O-N 3.1Å; I1280-L1283 PolarHBondContact O-N 2.64Å; L1281-L1283 VanDerWaalsContact C-N 3.35Å; L1281-L1283 PolarHBondContact O-N 3.03Å; L1283-I1557 HydrophobicContact CD1-CG2 4.09Å; L1283-Y1560 HydrophobicContact CD2-CD1 3.76Å; L1283-Y1560 HydrophobicContact CD2-CE1 3.8Å; L1283-A1561 HydrophobicContact CD2-CB 3.87Å; L1283-A1561 HydrophobicContact CG-CB 4.04Å; L1283-L1564 HydrophobicContact CD2-CD1 4.41Å
1284R95.2Very high95Very high162 Ų16238 Ų3861%0.61119%0.185SC*.Hα-helixtrans-61.9-55.4175.9-77170.6164.5175.5-8.7110.9I1236 I1280 L1281 N1286I1236-R1284 HydrophobicContact CD1-CG 4.2Å; I1280-R1284 HydrophobicContact CG2-CG 4.47Å; I1280-R1284 WeakPolarHBondContact O-CB 3.17Å; I1280-R1284 VanDerWaalsContact O-CG 3.32Å; I1280-R1284 WeakPolarHBondContact O-CG 3.18Å; I1280-R1284 PolarHBondContact O-N 3.18Å; L1281-R1284 PolarHBondContact O-N 2.88Å; R1284-N1286 PolarHBondContact O-N 2.92Å
1285Q94.4Very high95Very high70 Ų7038 Ų3833%0.32719%0.185SC..THydrogen-bonded Turntrans-8315.2-175.1-61.6-178.6-2800114.5L1281 G1287 Y1288 I1289 D1293L1281-Q1285 HydrophobicContact CD1-CG 4.24Å; L1281-Q1285 PolarHBondContact O-N 3.14Å; Q1285-G1287 PolarHBondContact O-N 2.99Å; Q1285-Y1288 WeakPolarHBondContact CB-O 3.3Å; Q1285-Y1288 PolarHBondContact OE1-O 2.99Å; Q1285-I1289 VanDerWaalsContact OE1-CG2 3.29Å; Q1285-D1293 PolarHBondContact NE2-OD2 2.86Å; Q1285-D1293 PolarHBondContact OE1-OD2 3.49Å
1286N92.5Very high95Very high83 Ų8342.2 Ų42.244%0.44421%0.207SC..THydrogen-bonded Turntrans62.831.6176-51.3-79.4000115.5K1232 L1282 R1284 L1564 F1565K1232-N1286 PolarHBondContact NZ-OD1 3.4Å; L1282-N1286 PolarHBondContact O-N 3.1Å; R1284-N1286 PolarHBondContact O-N 2.92Å; N1286-L1564 HydrophobicContact CB-CB 4.3Å; N1286-L1564 CarbonylContact O-C 2.93Å; N1286-L1564 WeakPolarHBondContact O-CB 3.38Å; N1286-F1565 WeakPolarHBondContact O-CA 3.41Å; N1286-F1565 VanDerWaalsContact O-CB 3.3Å; N1286-F1565 WeakPolarHBondContact O-CB 3.46Å; N1286-F1565 PolarHBondContact O-N 3.31Å
1287G89.4Confident95Very high1 Ų142.8 Ų42.81%0.0121%0.21CC..THydrogen-bonded Turntrans86.27173.800000115.9L1282 Q1285 A1561L1282-G1287 PolarHBondContact O-N 3.36Å; Q1285-G1287 PolarHBondContact O-N 2.99Å; G1287-A1561 WeakPolarHBondContact CA-O 3.29Å
1288Y89.9Confident95Very high127 Ų12740.1 Ų40.150%0.49820%0.198SC..  trans-120.6132.7168.1-178.8-95.3000108.3Q1285 F1565Q1285-Y1288 WeakPolarHBondContact CB-O 3.3Å; Q1285-Y1288 PolarHBondContact OE1-O 2.99Å; Y1288-F1565 HydrophobicContact CD2-CE2 4.19Å; Y1288-F1565 HydrophobicContact CD2-CZ 4.24Å; Y1288-F1565 HydrophobicContact CG-CE2 4.28Å
1289I92.5Very high94.9Very high41 Ų4143.1 Ų43.121%0.2121%0.214CC..  trans-132.6146.5177.566-175.3000108.2L1278 L1281 L1282 Q1285 V1294L1278-I1289 HydrophobicContact CD1-CD1 3.75Å; L1281-I1289 HydrophobicContact CD2-CG2 4.29Å; L1281-I1289 HydrophobicContact CG-CG2 4.06Å; L1282-I1289 HydrophobicContact CD2-CD1 4.29Å; L1282-I1289 HydrophobicContact CD2-CG2 3.69Å; L1282-I1289 HydrophobicContact CG-CD1 4.43Å; L1282-I1289 HydrophobicContact CG-CG2 3.9Å; Q1285-I1289 VanDerWaalsContact OE1-CG2 3.29Å; I1289-V1294 HydrophobicContact CD1-CG2 3.59Å; I1289-V1294 HydrophobicContact CG1-CG2 4.15Å
1290A92.3Very high94.8Very high30 Ų3049 Ų4925%0.24824%0.241CC..  trans-87.8160.1172.200000111.6T1292 D1293 V1294A1290-T1292 WeakPolarHBondContact CB-OG1 3.14Å; A1290-T1292 PolarHBondContact O-N 2.83Å; A1290-D1293 PolarHBondContact N-OD2 3.08Å; A1290-D1293 PolarHBondContact O-N 3.29Å; A1290-V1294 PolarHBondContact O-N 3.36Å
1291D93.2Very high94.7Very high66 Ų6648.9 Ų48.935%0.35324%0.241SC..Hα-helixtrans-66.3-25.4177.4-65.3-59.6000112.6G1295 V1471 T1472 K1474D1291-G1295 PolarHBondContact O-N 2.94Å; D1291-V1471 HydrophobicContact CB-CG1 3.96Å; D1291-T1472 WeakPolarHBondContact O-CG2 3.35Å; D1291-K1474 WeakPolarHBondContact OD1-CE 3.31Å; D1291-K1474 IonicContact OD1-NZ 2.7Å; D1291-K1474 PolarHBondContact OD1-NZ 2.66Å; D1291-K1474 WeakPolarHBondContact OD2-CE 3.48Å; D1291-K1474 IonicContact OD2-NZ 3.61Å; D1291-K1474 PolarHBondContact OD2-NZ 2.77Å
1292T94.7Very high94.4Very high77 Ų7749.6 Ų49.647%0.47224%0.243SC..Hα-helixtrans-61.8-52.7169.641.30000111.1A1290 V1294 G1295 D1296A1290-T1292 WeakPolarHBondContact CB-OG1 3.14Å; A1290-T1292 PolarHBondContact O-N 2.83Å; T1292-V1294 PolarHBondContact O-N 2.87Å; T1292-V1294 VanDerWaalsContact O-N 3.15Å; T1292-G1295 CarbonylContact O-C 3.58Å; T1292-G1295 VanDerWaalsContact O-CA 3.29Å; T1292-G1295 WeakPolarHBondContact O-CA 3.48Å; T1292-G1295 PolarHBondContact O-N 2.93Å; T1292-D1296 PolarHBondContact O-N 3.38Å
1293D96.1Very high94.2Very high37 Ų3756.6 Ų56.620%0.19828%0.276CS..Hα-helixtrans-63.4-29.3-173.5-38.7-13.2000111.6L1281 Q1285 A1290 L1297L1281-D1293 HydrophobicContact CD2-CB 4.01Å; Q1285-D1293 PolarHBondContact NE2-OD2 2.86Å; Q1285-D1293 PolarHBondContact OE1-OD2 3.49Å; A1290-D1293 PolarHBondContact N-OD2 3.08Å; A1290-D1293 PolarHBondContact O-N 3.29Å; D1293-L1297 WeakPolarHBondContact O-CB 3.38Å; D1293-L1297 PolarHBondContact O-N 3.22Å; D1293-L1297 VanDerWaalsContact O-N 3.11Å
1294V96.7Very high93.9Very high3 Ų361.2 Ų61.22%0.01830%0.297CS..Hα-helixtrans-72.6-39.9170.9176.30000111.6I1289 A1290 T1292 L1298 V1471 F1503 V1507I1289-V1294 HydrophobicContact CD1-CG2 3.59Å; I1289-V1294 HydrophobicContact CG1-CG2 4.15Å; A1290-V1294 PolarHBondContact O-N 3.36Å; T1292-V1294 PolarHBondContact O-N 2.87Å; T1292-V1294 VanDerWaalsContact O-N 3.15Å; V1294-L1298 HydrophobicContact CG1-CD1 4.23Å; V1294-L1298 WeakPolarHBondContact O-CD1 3.3Å; V1294-L1298 VanDerWaalsContact O-CG 3.25Å; V1294-L1298 WeakPolarHBondContact O-CG 3.32Å; V1294-L1298 PolarHBondContact O-N 2.79Å; V1294-L1298 VanDerWaalsContact O-N 3.1Å; V1294-V1471 HydrophobicContact CB-CG1 4.18Å; V1294-V1471 HydrophobicContact CG1-CG1 4.03Å; V1294-F1503 HydrophobicContact CG1-CE1 4.06Å; V1294-F1503 HydrophobicContact CG1-CZ 3.99Å; V1294-V1507 HydrophobicContact CG1-CG1 4.15Å; V1294-V1507 HydrophobicContact CG1-CG2 3.78Å
1295G96.6Very high93.7Very high0 Ų056 Ų560%028%0.278CS..Hα-helixtrans-65.6-42.3175.700000113D1291 T1292 L1298 L1299 S1468D1291-G1295 PolarHBondContact O-N 2.94Å; T1292-G1295 CarbonylContact O-C 3.58Å; T1292-G1295 VanDerWaalsContact O-CA 3.29Å; T1292-G1295 WeakPolarHBondContact O-CA 3.48Å; T1292-G1295 PolarHBondContact O-N 2.93Å; G1295-L1298 PolarHBondContact O-N 3.33Å; G1295-L1299 WeakPolarHBondContact O-CG 3.16Å; G1295-L1299 PolarHBondContact O-N 2.79Å; G1295-S1468 WeakPolarHBondContact CA-OG 3.45Å; G1295-S1468 PolarHBondContact O-OG 2.93Å; G1295-S1468 VanDerWaalsContact O-OG 3.07Å
1296D96.4Very high93.3Very high88 Ų8857.5 Ų57.547%0.47129%0.294SS..Hα-helixtrans-65.9-48.8176.7-60.7-33.9000110.3T1292 L1298 L1299 E1300T1292-D1296 PolarHBondContact O-N 3.38Å; D1296-L1298 VanDerWaalsContact C-N 3.25Å; D1296-L1298 PolarHBondContact O-N 3.22Å; D1296-L1299 CarbonylContact O-C 3.05Å; D1296-L1299 PolarHBondContact O-N 3Å; D1296-E1300 PolarHBondContact O-N 3.02Å
1297L97.2Very high92.8Very high12 Ų1256.5 Ų56.56%0.06328%0.284CS..Hα-helixtrans-56.1-35.7175.2171.761.6000113.3L1274 H1277 L1278 L1281 D1293 N1301 F1503L1274-L1297 HydrophobicContact CD1-CD1 4.12Å; L1274-L1297 HydrophobicContact CD1-CD2 4.17Å; L1274-L1297 HydrophobicContact CD1-CG 3.73Å; H1277-L1297 HydrophobicContact CB-CD1 3.6Å; L1278-L1297 HydrophobicContact CB-CD2 4.11Å; L1278-L1297 HydrophobicContact CD1-CD2 4.31Å; L1281-L1297 HydrophobicContact CD2-CD2 4.11Å; D1293-L1297 WeakPolarHBondContact O-CB 3.38Å; D1293-L1297 PolarHBondContact O-N 3.22Å; D1293-L1297 VanDerWaalsContact O-N 3.11Å; L1297-N1301 WeakPolarHBondContact O-CB 3.43Å; L1297-N1301 PolarHBondContact O-N 2.98Å; L1297-F1503 HydrophobicContact CD2-CE2 4.36Å
1298L97.2Very high92.1Very high0 Ų060.7 Ų60.70%031%0.307CS..Hα-helixtrans-67.7-37.7175.3-79163.9000112.3L1274 V1294 G1295 D1296 Q1302 W1463 R1464 L1467 F1503L1274-L1298 HydrophobicContact CD1-CD2 4.36Å; L1274-L1298 HydrophobicContact CD2-CD2 3.77Å; V1294-L1298 HydrophobicContact CG1-CD1 4.23Å; V1294-L1298 WeakPolarHBondContact O-CD1 3.3Å; V1294-L1298 VanDerWaalsContact O-CG 3.25Å; V1294-L1298 WeakPolarHBondContact O-CG 3.32Å; V1294-L1298 PolarHBondContact O-N 2.79Å; V1294-L1298 VanDerWaalsContact O-N 3.1Å; G1295-L1298 PolarHBondContact O-N 3.33Å; D1296-L1298 VanDerWaalsContact C-N 3.25Å; D1296-L1298 PolarHBondContact O-N 3.22Å; L1298-Q1302 WeakPolarHBondContact O-CB 3.27Å; L1298-Q1302 PolarHBondContact O-N 3.27Å; L1298-Q1302 VanDerWaalsContact O-N 3.1Å; L1298-W1463 HydrophobicContact CD2-CH2 4.2Å; L1298-W1463 HydrophobicContact CD2-CZ3 4.1Å; L1298-R1464 HydrophobicContact CB-CB 4.43Å; L1298-R1464 HydrophobicContact CD2-CB 4.12Å; L1298-R1464 HydrophobicContact CD2-CG 4.14Å; L1298-R1464 WeakPolarHBondContact O-CD 3.49Å; L1298-L1467 HydrophobicContact CD1-CB 4.03Å; L1298-L1467 HydrophobicContact CD1-CD2 3.8Å; L1298-L1467 HydrophobicContact CD1-CG 3.75Å; L1298-L1467 HydrophobicContact CD2-CD2 4.15Å; L1298-F1503 HydrophobicContact CD1-CE1 4.07Å; L1298-F1503 HydrophobicContact CD1-CZ 4.47Å; L1298-F1503 HydrophobicContact CD2-CD1 4.44Å; L1298-F1503 HydrophobicContact CD2-CE1 3.72Å; L1298-F1503 HydrophobicContact CD2-CZ 3.94Å; L1298-F1503 HydrophobicContact CG-CE1 4Å; L1298-F1503 HydrophobicContact CG-CZ 4.02Å
1299L95.3Very high91Very high65 Ų6558.4 Ų58.434%0.3431%0.307SS..Hα-helixtrans-78.4-37.3179.6-64171.6000111.7G1295 D1296 Q1302 Q1303G1295-L1299 WeakPolarHBondContact O-CG 3.16Å; G1295-L1299 PolarHBondContact O-N 2.79Å; D1296-L1299 CarbonylContact O-C 3.05Å; D1296-L1299 PolarHBondContact O-N 3Å; L1299-Q1302 WeakPolarHBondContact O-CB 3.41Å; L1299-Q1302 PolarHBondContact O-N 2.89Å; L1299-Q1303 WeakPolarHBondContact O-CG 3.27Å; L1299-Q1303 PolarHBondContact O-N 2.96Å
1300E95.5Very high89.2Confident124 Ų12459.4 Ų59.458%0.57932%0.318SS*.Hα-helixtrans-58.3-47.5169.2-72.3-178.1169.400111D1296 Q1302 Q1303 E1304D1296-E1300 PolarHBondContact O-N 3.02Å; E1300-Q1302 VanDerWaalsContact C-N 3.26Å; E1300-Q1302 PolarHBondContact O-N 3.45Å; E1300-Q1303 PolarHBondContact O-N 3.27Å; E1300-Q1303 VanDerWaalsContact O-N 3.1Å; E1300-E1304 PolarHBondContact O-N 3.03Å
1301N94.7Very high87.4Confident2 Ų262.8 Ų62.81%0.01133%0.329CS..Hα-helixtrans-67.4-25.7177.4-175.6-104.5000113.4A1270 L1274 L1297 Y1305 R1464A1270-N1301 PolarHBondContact O-ND2 3.44Å; A1270-N1301 VanDerWaalsContact O-ND2 3.12Å; A1270-N1301 PolarHBondContact O-OD1 3.43Å; L1274-N1301 HydrophobicContact CB-CB 4.45Å; L1274-N1301 HydrophobicContact CD1-CB 3.93Å; L1297-N1301 WeakPolarHBondContact O-CB 3.43Å; L1297-N1301 PolarHBondContact O-N 2.98Å; N1301-Y1305 WeakPolarHBondContact ND2-CD2 3.38Å; N1301-Y1305 PolarHBondContact O-N 2.99Å; N1301-R1464 PolarHBondContact O-NH2 3.31Å; N1301-R1464 PolarHBondContact OD1-NE 3.4Å; N1301-R1464 PolarHBondContact OD1-NH2 2.98Å
1302Q91.5Very high85.3Confident45 Ų4561.8 Ų61.821%0.2132%0.321CS..Hα-helixtrans-71.8-33.6171.4-176.3166.836.200112.1L1298 L1299 E1300 Y1305 P1306 D1462 S1465L1298-Q1302 WeakPolarHBondContact O-CB 3.27Å; L1298-Q1302 PolarHBondContact O-N 3.27Å; L1298-Q1302 VanDerWaalsContact O-N 3.1Å; L1299-Q1302 WeakPolarHBondContact O-CB 3.41Å; L1299-Q1302 PolarHBondContact O-N 2.89Å; E1300-Q1302 VanDerWaalsContact C-N 3.26Å; E1300-Q1302 PolarHBondContact O-N 3.45Å; Q1302-Y1305 CarbonylContact O-C 3.58Å; Q1302-P1306 VanDerWaalsContact O-CA 3.3Å; Q1302-P1306 WeakPolarHBondContact O-CA 3.33Å; Q1302-D1462 WeakPolarHBondContact CG-OD2 3.29Å; Q1302-D1462 VanDerWaalsContact NE2-CG 3.31Å; Q1302-D1462 PolarHBondContact NE2-OD2 3.5Å; Q1302-S1465 PolarHBondContact NE2-OG 3.44Å; Q1302-S1465 PolarHBondContact OE1-OG 3.11Å
1303Q90.8Very high82.6Confident155 Ų15565 Ų6572%0.72433%0.331SS*.Hα-helixtrans-76.3-40174.8-67.4170.227.800112.1L1299 E1300L1299-Q1303 WeakPolarHBondContact O-CG 3.27Å; L1299-Q1303 PolarHBondContact O-N 2.96Å; E1300-Q1303 PolarHBondContact O-N 3.27Å; E1300-Q1303 VanDerWaalsContact O-N 3.1Å
1304E90.9Very high79.8Confident97 Ų9767.2 Ų67.245%0.45335%0.354SS..Hα-helixtrans-67.6-35.9175.7-164.9-165.6161.300111.9H1277 E1300H1277-E1304 IonicContact CE1-OE2 3.82Å; E1300-E1304 PolarHBondContact O-N 3.03Å
1305Y90.5Very high76.9Confident52 Ų5271.1 Ų71.120%0.20437%0.372CS..SBendtrans-131.579.4178.6-56.4-84.3000111.5R1269 A1270 A1273 N1301 Q1302 R1464R1269-Y1305 HydrophobicContact CG-CE1 4.47Å; A1270-Y1305 HydrophobicContact CB-CD1 3.97Å; A1270-Y1305 HydrophobicContact CB-CD2 3.8Å; A1270-Y1305 HydrophobicContact CB-CG 3.44Å; A1270-Y1305 VanDerWaalsContact CB-CG 3.44Å; A1273-Y1305 HydrophobicContact CB-CE2 3.9Å; N1301-Y1305 WeakPolarHBondContact ND2-CD2 3.38Å; N1301-Y1305 PolarHBondContact O-N 2.99Å; Q1302-Y1305 CarbonylContact O-C 3.58Å; Y1305-R1464 PolarHBondContact O-NH1 3.2Å; Y1305-R1464 PolarHBondContact O-NH2 3.45Å
1306P86.3Confident73.9Confident102 Ų10278 Ų7866%0.66241%0.409SS*.  trans-53.6140.5177.9-27.436.3000112.6Q1302 D1308Q1302-P1306 VanDerWaalsContact O-CA 3.3Å; Q1302-P1306 WeakPolarHBondContact O-CA 3.33Å; P1306-D1308 PolarHBondContact O-N 3.48Å
1307Y81.5Confident70.6Confident63 Ų6379.8 Ų79.825%0.24741%0.414CS..  trans-78.2111.9175.1179.8-91.8000110.4P1309 D1462Y1307-P1309 HydrophobicContact CD1-CG 4.22Å; Y1307-P1309 HydrophobicContact CE1-CB 4.24Å; Y1307-P1309 HydrophobicContact CE1-CG 3.95Å; Y1307-D1462 HydrophobicContact CD1-CB 4.4Å; Y1307-D1462 HydrophobicContact CD2-CB 4.1Å; Y1307-D1462 HydrophobicContact CG-CB 3.83Å
1308D75.1Confident67.5Low89 Ų8983.1 Ų83.148%0.47644%0.437SS..  trans-96.3115.2169.6-166.4-39.3000109.7P1306 S1310 E1311P1306-D1308 PolarHBondContact O-N 3.48Å; D1308-S1310 VanDerWaalsContact CG-OG 3.31Å; D1308-S1310 PolarHBondContact O-N 2.97Å; D1308-S1310 VanDerWaalsContact OD1-CB 3.29Å; D1308-S1310 WeakPolarHBondContact OD1-CB 3.41Å; D1308-S1310 PolarHBondContact OD1-N 3.38Å; D1308-S1310 PolarHBondContact OD1-OG 3.42Å; D1308-E1311 PolarHBondContact O-N 3.48Å
1309P65Low64.3Low79 Ų7990.9 Ų90.951%0.51348%0.478SS..THydrogen-bonded Turntrans-58.5-27.9177.5-22.932.9000113.6Y1307 E1311 F1312Y1307-P1309 HydrophobicContact CD1-CG 4.22Å; Y1307-P1309 HydrophobicContact CE1-CB 4.24Å; Y1307-P1309 HydrophobicContact CE1-CG 3.95Å; P1309-E1311 VanDerWaalsContact C-N 3.3Å; P1309-E1311 PolarHBondContact O-N 2.97Å; P1309-F1312 PolarHBondContact O-N 3.38Å
1310S56.3Low61.2Low62 Ų6291.2 Ų91.243%0.43449%0.491SS..Hα-helixtrans-73.2-18.1-174.771.10000113.9D1308 F1312 E1313 A1314D1308-S1310 VanDerWaalsContact CG-OG 3.31Å; D1308-S1310 PolarHBondContact O-N 2.97Å; D1308-S1310 VanDerWaalsContact OD1-CB 3.29Å; D1308-S1310 WeakPolarHBondContact OD1-CB 3.41Å; D1308-S1310 PolarHBondContact OD1-N 3.38Å; D1308-S1310 PolarHBondContact OD1-OG 3.42Å; S1310-F1312 PolarHBondContact O-N 3.48Å; S1310-E1313 PolarHBondContact O-N 2.61Å; S1310-A1314 WeakPolarHBondContact O-CB 3.3Å; S1310-A1314 PolarHBondContact O-N 3.12Å
1311E53.1Low58Low101 Ų10190.3 Ų90.347%0.47249%0.489SS..Hα-helixtrans-67.1-13.9172.4-75.6-153.2150.200113.5D1308 P1309D1308-E1311 PolarHBondContact O-N 3.48Å; P1309-E1311 VanDerWaalsContact C-N 3.3Å; P1309-E1311 PolarHBondContact O-N 2.97Å
1312F50Low54.9Low45 Ų4594.5 Ų94.520%0.19753%0.525CS..Hα-helixtrans-94.6-37.6172.3-87.4-94.5000112.8P1309 S1310 A1314 E1458 R1495P1309-F1312 PolarHBondContact O-N 3.38Å; S1310-F1312 PolarHBondContact O-N 3.48Å; F1312-A1314 VanDerWaalsContact C-N 3.3Å; F1312-A1314 PolarHBondContact O-N 3.21Å; F1312-E1458 HydrophobicContact CB-CG 4.3Å; F1312-E1458 HydrophobicContact CD1-CG 4.37Å; F1312-E1458 WeakPolarHBondContact CD1-OE1 3.35Å; F1312-R1495 VanDerWaalsContact CZ-NH2 3.3Å
1313E38.8Very low52Low145 Ų14599.7 Ų99.768%0.67855%0.549SS*.Hα-helixtrans-71-22.1178.4-63.9-169.815300113.8S1310 E1315S1310-E1313 PolarHBondContact O-N 2.61Å; E1313-E1315 PolarHBondContact O-N 2.91Å
1314A35.5Very low49.1Very low82 Ų82100.7 Ų100.768%0.67855%0.553SS**THydrogen-bonded Turntrans-71.827.1-172.400000116.3S1310 F1312S1310-A1314 WeakPolarHBondContact O-CB 3.3Å; S1310-A1314 PolarHBondContact O-N 3.12Å; F1312-A1314 VanDerWaalsContact C-N 3.3Å; F1312-A1314 PolarHBondContact O-N 3.21Å
1315E36.5Very low46.1Very low85 Ų85102.7 Ų102.740%0.39757%0.567SS.*THydrogen-bonded Turntrans-107.2-4.7177.3-57.5-149.2134.600114.6Q1262 E1313 E1317Q1262-E1315 VanDerWaalsContact CA-OE1 3.3Å; Q1262-E1315 WeakPolarHBondContact CA-OE1 3.23Å; Q1262-E1315 WeakPolarHBondContact CB-OE1 3.29Å; Q1262-E1315 WeakPolarHBondContact CB-OE2 3.47Å; Q1262-E1315 VanDerWaalsContact CD-OE2 3.25Å; Q1262-E1315 VanDerWaalsContact CG-OE2 3.29Å; Q1262-E1315 WeakPolarHBondContact CG-OE2 3.29Å; Q1262-E1315 PolarHBondContact NE2-OE1 3.48Å; Q1262-E1315 VanDerWaalsContact NE2-OE1 3.1Å; Q1262-E1315 PolarHBondContact NE2-OE2 3.37Å; E1313-E1315 PolarHBondContact O-N 2.91Å; E1315-E1317 VanDerWaalsContact C-N 3.29Å; E1315-E1317 PolarHBondContact O-N 3.42Å
1316N33.1Very low43.3Very low145 Ų145105.1 Ų105.178%0.77560%0.598SS**SBendtrans-70.987.5160.1-74.6-60.4000109.2P1318N1316-P1318 VanDerWaalsContact O-CD 3.31Å; N1316-P1318 WeakPolarHBondContact O-CD 3.3Å
1317E28.2Very low40.6Very low125 Ų125105.1 Ų105.158%0.58461%0.607SS**  trans-53.3117.8169.7-107-75.694.900109.7R809 E1315 D1319R809-E1317 IonicContact CZ-OE1 3.38Å; R809-E1317 VanDerWaalsContact CZ-OE1 3.28Å; R809-E1317 IonicContact NH1-OE1 2.66Å; R809-E1317 PolarHBondContact NH1-OE1 2.87Å; R809-E1317 IonicContact NH2-OE1 3.29Å; R809-E1317 PolarHBondContact NH2-OE1 2.86Å; E1315-E1317 VanDerWaalsContact C-N 3.29Å; E1315-E1317 PolarHBondContact O-N 3.42Å; E1317-D1319 PolarHBondContact O-N 3.46Å
1318P31.5Very low38.2Very low83 Ų83106.5 Ų106.554%0.53963%0.631SS.*  trans-72.1123.7174.629-32.5000109N1316 A1320N1316-P1318 VanDerWaalsContact O-CD 3.31Å; N1316-P1318 WeakPolarHBondContact O-CD 3.3Å; P1318-A1320 PolarHBondContact O-N 2.91Å
1319D30.5Very low36.4Very low163 Ų163105.9 Ų105.987%0.87263%0.632SS**  trans-51.8100.9-179.9-106.8-35.8000111.2E1317 D1321E1317-D1319 PolarHBondContact O-N 3.46Å; D1319-D1321 VanDerWaalsContact C-N 3.26Å; D1319-D1321 PolarHBondContact O-N 3.23Å
1320A30Very low34.9Very low72 Ų72106 Ų10660%0.59564%0.64SS**SBendtrans-82.462.8-166.200000113P1318 K2225P1318-A1320 PolarHBondContact O-N 2.91Å; A1320-K2225 PolarHBondContact O-NZ 3.35Å; A1320-K2225 VanDerWaalsContact O-NZ 3.17Å
1321D27.7Very low33.5Very low104 Ų104105.3 Ų105.356%0.55663%0.631SS**SBendtrans-142.924.7175.5-96.6-41.3000114.3D1319 K2225D1319-D1321 VanDerWaalsContact C-N 3.26Å; D1319-D1321 PolarHBondContact O-N 3.23Å; D1321-K2225 IonicContact OD1-NZ 2.69Å; D1321-K2225 PolarHBondContact OD1-NZ 3.36Å; D1321-K2225 IonicContact OD2-NZ 3.47Å; D1321-K2225 PolarHBondContact OD2-NZ 2.85Å
1322A30.2Very low32.8Very low91 Ų91109.3 Ų109.375%0.75265%0.647SS**  trans-145.271.9179.800000115
1323E31.4Very low32Very low153 Ų153112.2 Ų112.272%0.71567%0.669SS**  trans-140104.3163-80.5-156.688.600112.2R810R810-E1323 IonicContact CZ-OE2 3.22Å; R810-E1323 IonicContact NE-OE2 3.24Å; R810-E1323 IonicContact NH2-OE1 3.98Å; R810-E1323 PolarHBondContact NH2-OE1 3.46Å; R810-E1323 IonicContact NH2-OE2 3.78Å; R810-E1323 PolarHBondContact NH2-OE2 2.88Å
1324Q29.2Very low31.7Very low176 Ų176109.8 Ų109.882%0.82266%0.664SS**  trans178.4131.8146.2-93.1-165-78.300106.8
1325D27.3Very low31.4Very low139 Ų139112 Ų11274%0.74366%0.664SS**  cis-140.8145.13.9-75.3-59000111.2
1326A31.9Very low30.9Very low103 Ų103112.4 Ų112.485%0.85168%0.676SS**  trans-174.8144.1144.100000111.7
1327A29.7Very low30.6Very low103 Ų103112.3 Ų112.385%0.85168%0.676SS**  trans-102.8169.9163.400000109
1328A30.7Very low30.7Very low91 Ų91113.8 Ų113.875%0.75269%0.687SS**  cis-143.1169.19.500000110.1
1329P37.7Very low30.4Very low76 Ų76117.7 Ų117.749%0.49470%0.703SS.*  trans-93.7-179.8-155.1-5.525.5000116.9R869R869-P1329 CarbonylContact C-O 3.08Å
1330A33.1Very low30.5Very low83 Ų83114.2 Ų114.269%0.68669%0.692SS**  trans-126.1134.7176.400000113.3S870S870-A1330 VanDerWaalsContact OG-C 3.27Å; S870-A1330 WeakPolarHBondContact OG-CA 3.26Å; S870-A1330 WeakPolarHBondContact OG-CB 3.39Å
1331D28.2Very low30.3Very low46 Ų46120.8 Ų120.825%0.24671%0.71CS.*  trans-83.7148.3170.3-153.98.8000113.2R869 S870R869-D1331 HydrophobicContact CB-CB 3.75Å; R869-D1331 WeakPolarHBondContact CD-OD1 3.48Å; R869-D1331 WeakPolarHBondContact CD-OD2 3.3Å; R869-D1331 HydrophobicContact CG-CB 3.58Å; R869-D1331 IonicContact CZ-OD1 3.88Å; R869-D1331 IonicContact CZ-OD2 3.88Å; R869-D1331 IonicContact NE-OD1 2.88Å; R869-D1331 PolarHBondContact NE-OD1 2.82Å; R869-D1331 IonicContact NE-OD2 3.43Å; R869-D1331 IonicContact NH1-OD1 3.91Å; R869-D1331 PolarHBondContact NH1-OD1 3.25Å; R869-D1331 IonicContact NH1-OD2 3.94Å; R869-D1331 PolarHBondContact NH1-OD2 2.99Å; S870-D1331 PolarHBondContact OG-N 3.04Å; S870-D1331 PolarHBondContact OG-O 3.32Å
1332K37.7Very low30.5Very low186 Ų186121.5 Ų121.581%0.80972%0.723SS**  -135.3144.3127.5-79.1-161.8175.5-176.80109.8R802R802-K1332 PolarHBondContact NH2-O 3.26Å
1333T33Very low30.5Very low105 Ų105121 Ų12164%0.64472%0.719SS**  trans-70.6171.8174.742.20000112.1
1334V32.1Very low30.4Very low95 Ų95116.1 Ų116.158%0.57671%0.705SS**  trans-118.8178.6175.5163.20000106.9R802R802-V1334 VanDerWaalsContact NH2-CG2 3.32Å
1335D29.9Very low30.6Very low127 Ų127110.1 Ų110.168%0.67969%0.691SS**  trans78.7134.9-179.2-44.9-44000113.9
1336S25.9Very low30.8Very low95 Ų95106.5 Ų106.566%0.66467%0.673SS**  cis-159.3160.4-6.253.50000112.2
1337D26.8Very low30.8Very low143 Ų143107.9 Ų107.977%0.76567%0.671SS**  trans-0.6132.4147.7-34-48.6000118.7
1338L29.7Very low31.2Very low155 Ų155108 Ų10881%0.81266%0.663SS**  -157.9101.4128.1-89.3-163.5000110.4
1339D25.8Very low31.1Very low166 Ų166108.7 Ų108.789%0.88867%0.669SS**  trans-71121.7150.8-85-48.3000108.4
1340S32.2Very low30.7Very low90 Ų90114.2 Ų114.263%0.62969%0.688SS**  trans-163.977.5174.4-82.20000112.6S1342S1340-S1342 PolarHBondContact O-N 3.31Å
1341E26.8Very low31.2Very low209 Ų209114.4 Ų114.498%0.97768%0.682SS**  trans-68.1107.7156-84.4-157.588.700110
1342S31.5Very low31.1Very low119 Ų119119.5 Ų119.583%0.83271%0.709SS**  trans-148.8144.9156.162.40000110.3S1340S1340-S1342 PolarHBondContact O-N 3.31Å
1343A30.9Very low30.6Very low80 Ų80113.9 Ų113.966%0.66170%0.698SS**  trans-115.4167.1-159.800000114V2071A1343-V2071 HydrophobicContact CB-CG2 3.78Å
1344A29.2Very low30.2Very low52 Ų52114 Ų11443%0.4371%0.709SS.*  trans112.4111.4138.200000119K2069A1344-K2069 CarbonylContact C-O 3.16Å; A1344-K2069 VanDerWaalsContact C-O 3.3Å; A1344-K2069 VanDerWaalsContact CB-O 3.26Å; A1344-K2069 WeakPolarHBondContact CB-O 3.39Å
1345G31.6Very low30Very low50 Ų50112.8 Ų112.852%0.51572%0.716SS.*  trans-176.8121161.200000112.9K2069 R2070 Y2072G1345-K2069 WeakPolarHBondContact CA-O 3.26Å; G1345-K2069 PolarHBondContact N-O 3.16Å; G1345-R2070 CarbonylContact C-O 3.6Å; G1345-R2070 VanDerWaalsContact CA-O 3.23Å; G1345-R2070 WeakPolarHBondContact CA-O 3.49Å; G1345-R2070 VanDerWaalsContact N-C 3.32Å; G1345-R2070 PolarHBondContact N-O 2.89Å; G1345-Y2072 PolarHBondContact O-N 3.12Å
1346V31.6Very low29.9Very low62 Ų62111.5 Ų111.538%0.37672%0.723SS.*  trans-141.5125.4-173.5153.40000112.6R2070 V2071 Y2072V1346-R2070 VanDerWaalsContact CB-O 3.3Å; V1346-R2070 WeakPolarHBondContact CB-O 3.3Å; V1346-R2070 WeakPolarHBondContact CG2-O 3.34Å; V1346-R2070 PolarHBondContact N-O 2.87Å; V1346-R2070 VanDerWaalsContact N-O 3.16Å; V1346-V2071 WeakPolarHBondContact CG2-O 3.48Å; V1346-Y2072 HydrophobicContact CB-CD2 4.17Å; V1346-Y2072 HydrophobicContact CG1-CD2 4.18Å; V1346-Y2072 HydrophobicContact CG1-CE2 4.06Å; V1346-Y2072 HydrophobicContact CG2-CD2 3.47Å; V1346-Y2072 VanDerWaalsContact CG2-CD2 3.47Å; V1346-Y2072 HydrophobicContact CG2-CE2 3.99Å; V1346-Y2072 HydrophobicContact CG2-CG 4.18Å
1347T31.8Very low30Very low132 Ų132111 Ų11181%0.8172%0.724SS**  177.6145.1125.920.90000112.5
1348P38.2Very low30Very low105 Ų105110.7 Ų110.768%0.68273%0.728SS**  trans-106.4175.917640.6-34.8000114
1349A30Very low30Very low106 Ų106108 Ų10888%0.87672%0.722SS**  trans-143.6152.9163.200000110.8
1350E28.6Very low30.2Very low192 Ų192104.9 Ų104.990%0.89771%0.713SS**  trans-113.2-178.7-160-111.9-144.7107.800114.6
1351P43.3Very low30.4Very low87 Ų87107.2 Ų107.257%0.56572%0.717SS**  trans-112.1-160.1-145.145.4-39.8000114.6
1352L26.2Very low30.6Very low153 Ų153104.5 Ų104.580%0.80171%0.709SS**  trans169.2149152.9-88.4164.2000107.5
1353A27.1Very low30.4Very low69 Ų69101.7 Ų101.757%0.5770%0.7SS**  cis-168.2163.8-13.800000113.5
1354A25.8Very low30.3Very low107 Ų107100 Ų10088%0.88469%0.686SS**  trans70.9152.6153.100000121.3
1355G27.1Very low30.3Very low70 Ų70103.1 Ų103.172%0.72270%0.695SS**  trans-177.8-64.2178.600000116.8
1356A27.3Very low30.3Very low100 Ų100102 Ų10283%0.82668%0.681SS**  trans72101.7170.600000121.7
1357A27.7Very low30.3Very low84 Ų84102 Ų10269%0.69469%0.687SS**  80.5135.511000000125.1
1358T28.5Very low30.5Very low136 Ų136102.7 Ų102.783%0.83469%0.686SS**  trans72.6141.614449.20000121.1
1359S29Very low30.3Very low98 Ų98102.3 Ų102.369%0.68569%0.691SS**  cis-174.2168.4-8.249.70000114
1360S30.3Very low31.1Very low101 Ų101101.6 Ų101.671%0.70669%0.686SS**  trans87.6138.8143.8-71.40000121.2
1361I35.4Very low32.1Very low139 Ų13998 Ų9871%0.71368%0.677SS**  cis-167.3156.3-10.7-132.6173.7000115
1362N31.1Very low32.8Very low152 Ų15299.7 Ų99.781%0.81369%0.688SS**  trans70.7125.3156.1-69.88.9000125.2
1363G27.2Very low34.6Very low61 Ų6196.3 Ų96.363%0.62967%0.671SS**  131.381.4121.900000117.5Q2084G1363-Q2084 PolarHBondContact O-OE1 3.45Å
1364A30.1Very low37.2Very low45 Ų4595.6 Ų95.637%0.37266%0.661SS.*  82.7133.468.900000114.8
1365D29.3Very low39.8Very low116 Ų11696.7 Ų96.762%0.6265%0.648SS**  cis-160.9156.1-2.4-76.1-38.2000110.4
1366A30.7Very low42.5Very low27 Ų2797.8 Ų97.822%0.22364%0.635CS.*  146.296.111500000118.5E2085 E2087A1366-E2085 VanDerWaalsContact C-OE1 3.29Å; A1366-E2085 VanDerWaalsContact N-CD 3.34Å; A1366-E2085 PolarHBondContact N-OE2 2.98Å; A1366-E2085 WeakPolarHBondContact O-CB 3.41Å; A1366-E2085 VanDerWaalsContact O-CG 3.29Å; A1366-E2085 WeakPolarHBondContact O-CG 3.43Å; A1366-E2087 HydrophobicContact CB-CB 4.46Å; A1366-E2087 HydrophobicContact CB-CG 3.92Å
1367A32.5Very low45.3Very low61 Ų6195.1 Ų95.150%0.50461%0.613SS.*  trans65.8148.3146.500000121.2E2085A1367-E2085 PolarHBondContact N-OE1 3.48Å
1368N34.4Very low48.1Very low148 Ų14891.2 Ų91.279%0.79158%0.58SS**  cis-163.7134-17.6-123.7-50.7000110.4
1369A34.4Very low51.1Low96 Ų9686.3 Ų86.379%0.79355%0.55SS*.  trans-153.382.2165.300000110.5T1371A1369-T1371 PolarHBondContact O-N 3.3Å
1370A46.7Very low54.1Low92 Ų9286.1 Ų86.176%0.7654%0.541SS*.  trans-63110.6-169.800000113.1
1371T50.9Low56.9Low115 Ų11585.4 Ų85.471%0.70653%0.525SS*.PPolyproline II helixtrans-57133160.346.20000109.3A1369 L1373A1369-T1371 PolarHBondContact O-N 3.3Å; T1371-L1373 PolarHBondContact O-N 2.66Å
1372P57.4Low59.5Low124 Ų12479.7 Ų79.781%0.80550%0.496SS*.PPolyproline II helixtrans-60.5128.9178.325.5-33.7000109.7S1374P1372-S1374 PolarHBondContact O-N 3.25Å
1373L64.9Low62.5Low82 Ų8280 Ų8043%0.42949%0.485SS..PPolyproline II helixtrans-61.1137.6173.9-72.490.5000108.6T1371 E1375 A1378 W1397T1371-L1373 PolarHBondContact O-N 2.66Å; L1373-E1375 PolarHBondContact O-N 3.46Å; L1373-A1378 HydrophobicContact CB-CB 4.27Å; L1373-W1397 HydrophobicContact CD1-CH2 3.96Å; L1373-W1397 HydrophobicContact CD1-CZ2 4.26Å; L1373-W1397 HydrophobicContact CD2-CH2 4.2Å; L1373-W1397 HydrophobicContact CD2-CZ2 4.06Å
1374S80.2Confident65.6Low54 Ų5478.8 Ų78.838%0.37847%0.467SS..PPolyproline II helixtrans-52.3141.3174.266.60000110P1372 Q1376 A1377 A1378P1372-S1374 PolarHBondContact O-N 3.25Å; S1374-Q1376 PolarHBondContact O-N 3.02Å; S1374-A1377 PolarHBondContact O-N 3.39Å; S1374-A1377 WeakPolarHBondContact OG-CB 3.21Å; S1374-A1377 PolarHBondContact OG-N 3.44Å; S1374-A1378 PolarHBondContact O-N 2.97Å
1375E80.2Confident68.6Low129 Ų12978.7 Ų78.760%0.60346%0.458SS*.Hα-helixtrans-48.6-41.4-175.5-170.4-174.8171.100112.2L1373 T1379 L1403L1373-E1375 PolarHBondContact O-N 3.46Å; E1375-T1379 WeakPolarHBondContact O-CB 3.44Å; E1375-T1379 PolarHBondContact O-N 3.3Å; E1375-T1379 PolarHBondContact O-OG1 3.01Å; E1375-L1403 HydrophobicContact CG-CD2 3.84Å
1376Q83.8Confident71.5Confident94 Ų9476 Ų7644%0.43945%0.445SS..Hα-helixtrans-57.9-52.8174.4-147.681.125.900113S1374 T1379 D1380 N2074S1374-Q1376 PolarHBondContact O-N 3.02Å; Q1376-T1379 WeakPolarHBondContact O-CB 3.35Å; Q1376-T1379 PolarHBondContact O-N 2.76Å; Q1376-D1380 PolarHBondContact O-N 3.36Å; Q1376-N2074 PolarHBondContact OE1-ND2 2.8Å
1377A86.7Confident74.4Confident44 Ų4481.3 Ų81.336%0.36447%0.469SS..Hα-helixtrans-68.8-36.8-179.900000112.8S1374 T1379 D1380 K1381S1374-A1377 PolarHBondContact O-N 3.39Å; S1374-A1377 WeakPolarHBondContact OG-CB 3.21Å; S1374-A1377 PolarHBondContact OG-N 3.44Å; A1377-T1379 VanDerWaalsContact C-N 3.28Å; A1377-T1379 PolarHBondContact O-N 3.1Å; A1377-D1380 PolarHBondContact O-N 3.21Å; A1377-K1381 PolarHBondContact O-N 2.9Å
1378A87.3Confident77.2Confident1 Ų186.8 Ų86.81%0.00848%0.477CS..Hα-helixtrans-61.2-40.2171.200000110.9L1373 S1374 K1381 F1382 W1397 N1401 L1403L1373-A1378 HydrophobicContact CB-CB 4.27Å; S1374-A1378 PolarHBondContact O-N 2.97Å; A1378-K1381 PolarHBondContact O-N 3.47Å; A1378-F1382 WeakPolarHBondContact O-CB 3.4Å; A1378-F1382 PolarHBondContact O-N 3.13Å; A1378-W1397 PolarHBondContact O-NE1 3.42Å; A1378-N1401 HydrophobicContact CB-CB 3.85Å; A1378-L1403 HydrophobicContact CB-CD1 3.87Å; A1378-L1403 HydrophobicContact CB-CD2 4.4Å; A1378-L1403 HydrophobicContact CB-CG 4.31Å
1379T91.5Very high79.7Confident33 Ų3382.1 Ų82.120%0.20246%0.464CS..Hα-helixtrans-71.5-37.1179.7-61.30000112.3E1375 Q1376 A1377 F1382 R1383E1375-T1379 WeakPolarHBondContact O-CB 3.44Å; E1375-T1379 PolarHBondContact O-N 3.3Å; E1375-T1379 PolarHBondContact O-OG1 3.01Å; Q1376-T1379 WeakPolarHBondContact O-CB 3.35Å; Q1376-T1379 PolarHBondContact O-N 2.76Å; A1377-T1379 VanDerWaalsContact C-N 3.28Å; A1377-T1379 PolarHBondContact O-N 3.1Å; T1379-F1382 WeakPolarHBondContact O-CB 3.43Å; T1379-F1382 PolarHBondContact O-N 3.49Å; T1379-R1383 VanDerWaalsContact O-CB 3.29Å; T1379-R1383 WeakPolarHBondContact O-CB 3.47Å; T1379-R1383 PolarHBondContact O-N 2.74Å
1380D91.1Very high82.3Confident95 Ų9580.8 Ų80.851%0.50844%0.443SS..Hα-helixtrans-69.8-37.2174-81.8-31.3000112.1Q1376 A1377 R1383 S1384Q1376-D1380 PolarHBondContact O-N 3.36Å; A1377-D1380 PolarHBondContact O-N 3.21Å; D1380-R1383 WeakPolarHBondContact O-CB 3.49Å; D1380-R1383 PolarHBondContact O-N 3.01Å; D1380-S1384 PolarHBondContact O-N 3.02Å
1381K88.7Confident84.3Confident85 Ų8577.9 Ų77.937%0.3742%0.416SS..Hα-helixtrans-67.7-42.7173.9-153-168.8-175.2-1730111.1A1377 A1378 R1383 S1384 Y1385 W1397A1377-K1381 PolarHBondContact O-N 2.9Å; A1378-K1381 PolarHBondContact O-N 3.47Å; K1381-R1383 PolarHBondContact O-N 3.13Å; K1381-S1384 WeakPolarHBondContact O-CA 3.35Å; K1381-S1384 WeakPolarHBondContact O-CB 3.46Å; K1381-S1384 PolarHBondContact O-N 3.31Å; K1381-S1384 PolarHBondContact O-OG 3.25Å; K1381-Y1385 HydrophobicContact CD-CE2 4.29Å; K1381-Y1385 HydrophobicContact CG-CE2 4.04Å; K1381-Y1385 WeakPolarHBondContact O-CD2 3.34Å; K1381-Y1385 PolarHBondContact O-N 3.3Å; K1381-W1397 HydrophobicContact CB-CZ2 4.16Å; K1381-W1397 HydrophobicContact CD-CD2 4Å; K1381-W1397 HydrophobicContact CD-CE3 4.12Å; K1381-W1397 HydrophobicContact CD-CH2 3.55Å; K1381-W1397 HydrophobicContact CD-CZ2 3.35Å; K1381-W1397 HydrophobicContact CD-CZ3 3.92Å; K1381-W1397 HydrophobicContact CG-CZ2 4.35Å; K1381-W1397 VanDerWaalsContact NZ-CH2 3.28Å
1382F91.2Very high86.1Confident20 Ų2080.5 Ų80.59%0.08842%0.42CS..Hα-helixtrans-52.1-52.4168.7169.9-105.4000111.6A1378 T1379 S1384 Y1385 V1386 A1394 A1398 L1403 H1406 L1410A1378-F1382 WeakPolarHBondContact O-CB 3.4Å; A1378-F1382 PolarHBondContact O-N 3.13Å; T1379-F1382 WeakPolarHBondContact O-CB 3.43Å; T1379-F1382 PolarHBondContact O-N 3.49Å; F1382-S1384 PolarHBondContact O-N 3.19Å; F1382-Y1385 PolarHBondContact O-N 3.11Å; F1382-V1386 HydrophobicContact CD1-CG2 4.41Å; F1382-V1386 HydrophobicContact CD2-CG2 4.39Å; F1382-V1386 HydrophobicContact CE1-CG2 4.01Å; F1382-V1386 HydrophobicContact CE2-CG2 4.01Å; F1382-V1386 HydrophobicContact CZ-CG2 3.8Å; F1382-V1386 PolarHBondContact O-N 2.97Å; F1382-A1394 HydrophobicContact CD2-CB 3.96Å; F1382-A1394 WeakPolarHBondContact CD2-O 3.22Å; F1382-A1394 HydrophobicContact CE2-CB 3.89Å; F1382-A1394 WeakPolarHBondContact CE2-O 3.05Å; F1382-A1398 HydrophobicContact CD2-CB 3.7Å; F1382-A1398 HydrophobicContact CE2-CB 3.8Å; F1382-L1403 HydrophobicContact CB-CD1 4.25Å; F1382-H1406 HydrophobicContact CD1-CB 4.4Å; F1382-H1406 HydrophobicContact CE1-CB 3.85Å; F1382-H1406 HydrophobicContact CE2-CB 4.47Å; F1382-H1406 HydrophobicContact CZ-CB 3.88Å; F1382-L1410 HydrophobicContact CE2-CD2 3.68Å; F1382-L1410 HydrophobicContact CZ-CD2 3.89Å
1383R93.4Very high87.7Confident157 Ų15779.2 Ų79.259%0.59240%0.403SS*.Hα-helixtrans-55.7-36.9176.1-167.9-172.4-166.7112.34.6111.7T1379 D1380 K1381 V1386 L1387T1379-R1383 VanDerWaalsContact O-CB 3.29Å; T1379-R1383 WeakPolarHBondContact O-CB 3.47Å; T1379-R1383 PolarHBondContact O-N 2.74Å; D1380-R1383 WeakPolarHBondContact O-CB 3.49Å; D1380-R1383 PolarHBondContact O-N 3.01Å; K1381-R1383 PolarHBondContact O-N 3.13Å; R1383-V1386 PolarHBondContact O-N 2.76Å; R1383-L1387 HydrophobicContact CG-CD1 3.99Å; R1383-L1387 HydrophobicContact CG-CG 4.37Å; R1383-L1387 VanDerWaalsContact O-CB 3.28Å; R1383-L1387 WeakPolarHBondContact O-CB 3.25Å; R1383-L1387 WeakPolarHBondContact O-CG 3.4Å; R1383-L1387 PolarHBondContact O-N 3.28Å
1384S91.9Very high89Confident36 Ų3675.3 Ų75.325%0.25238%0.383SS..Hα-helixtrans-66.9-34.5177.4880000113.5D1380 K1381 F1382 R1388D1380-S1384 PolarHBondContact O-N 3.02Å; K1381-S1384 WeakPolarHBondContact O-CA 3.35Å; K1381-S1384 WeakPolarHBondContact O-CB 3.46Å; K1381-S1384 PolarHBondContact O-N 3.31Å; K1381-S1384 PolarHBondContact O-OG 3.25Å; F1382-S1384 PolarHBondContact O-N 3.19Å; S1384-R1388 VanDerWaalsContact O-CD 3.3Å; S1384-R1388 WeakPolarHBondContact O-CD 3.43Å; S1384-R1388 WeakPolarHBondContact O-CG 3.3Å; S1384-R1388 PolarHBondContact O-N 2.75Å
1385Y93.7Very high89.5Confident44 Ų4473.5 Ų73.517%0.17337%0.369CS..Hα-helixtrans-71.6-46.2173.3-69.8-74000111.2K1381 F1382 L1387 R1388 G1389 N1390 E1393 W1397K1381-Y1385 HydrophobicContact CD-CE2 4.29Å; K1381-Y1385 HydrophobicContact CG-CE2 4.04Å; K1381-Y1385 WeakPolarHBondContact O-CD2 3.34Å; K1381-Y1385 PolarHBondContact O-N 3.3Å; F1382-Y1385 PolarHBondContact O-N 3.11Å; Y1385-L1387 VanDerWaalsContact C-N 3.34Å; Y1385-L1387 PolarHBondContact O-N 2.8Å; Y1385-R1388 WeakPolarHBondContact O-CB 3.38Å; Y1385-R1388 PolarHBondContact O-N 2.72Å; Y1385-G1389 PolarHBondContact O-N 3Å; Y1385-N1390 HydrophobicContact CD1-CB 4.42Å; Y1385-N1390 PolarHBondContact O-N 2.78Å; Y1385-N1390 VanDerWaalsContact O-N 3.08Å; Y1385-E1393 HydrophobicContact CD1-CB 3.59Å; Y1385-E1393 HydrophobicContact CD1-CG 4.46Å; Y1385-E1393 WeakPolarHBondContact CD1-OE2 2.96Å; Y1385-E1393 HydrophobicContact CE1-CB 3.86Å; Y1385-E1393 HydrophobicContact CE1-CG 4.48Å; Y1385-E1393 VanDerWaalsContact CE1-OE2 3.24Å; Y1385-E1393 WeakPolarHBondContact CE1-OE2 3.47Å; Y1385-E1393 HydrophobicContact CG-CB 4.21Å; Y1385-W1397 HydrophobicContact CD2-CB 4.21Å; Y1385-W1397 HydrophobicContact CD2-CG 4.2Å; Y1385-W1397 HydrophobicContact CE2-CB 4.08Å; Y1385-W1397 HydrophobicContact CE2-CD2 4.1Å; Y1385-W1397 HydrophobicContact CE2-CE3 4.39Å; Y1385-W1397 AromaticContact CE2-CG 3.92Å; Y1385-W1397 HydrophobicContact CE2-CG 3.92Å
1386V90.9Very high90Very high60 Ų6071 Ų7136%0.36436%0.357SS..Hα-helixtrans-59-43.7175.9178.90000111.4F1382 R1383 R1388 G1389 A1394 L1410F1382-V1386 HydrophobicContact CD1-CG2 4.41Å; F1382-V1386 HydrophobicContact CD2-CG2 4.39Å; F1382-V1386 HydrophobicContact CE1-CG2 4.01Å; F1382-V1386 HydrophobicContact CE2-CG2 4.01Å; F1382-V1386 HydrophobicContact CZ-CG2 3.8Å; F1382-V1386 PolarHBondContact O-N 2.97Å; R1383-V1386 PolarHBondContact O-N 2.76Å; V1386-R1388 PolarHBondContact O-N 3.25Å; V1386-G1389 PolarHBondContact O-N 2.88Å; V1386-A1394 HydrophobicContact CG2-CB 3.61Å; V1386-L1410 HydrophobicContact CG2-CD2 4.37Å
1387L91.9Very high90.4Very high138 Ų13868.5 Ų68.572%0.72334%0.344SS*.Hα-helixtrans-65.9-19.1176.8-75.7171.2000114.1R1383 Y1385R1383-L1387 HydrophobicContact CG-CD1 3.99Å; R1383-L1387 HydrophobicContact CG-CG 4.37Å; R1383-L1387 VanDerWaalsContact O-CB 3.28Å; R1383-L1387 WeakPolarHBondContact O-CB 3.25Å; R1383-L1387 WeakPolarHBondContact O-CG 3.4Å; R1383-L1387 PolarHBondContact O-N 3.28Å; Y1385-L1387 VanDerWaalsContact C-N 3.34Å; Y1385-L1387 PolarHBondContact O-N 2.8Å
1388R90.7Very high90.7Very high175 Ų17566.4 Ų66.466%0.6633%0.327SS*.Hα-helixtrans-87.2-12.9172.9-70.5165.8-173.1-171.12.9112.9S1384 Y1385 V1386 N1390S1384-R1388 VanDerWaalsContact O-CD 3.3Å; S1384-R1388 WeakPolarHBondContact O-CD 3.43Å; S1384-R1388 WeakPolarHBondContact O-CG 3.3Å; S1384-R1388 PolarHBondContact O-N 2.75Å; Y1385-R1388 WeakPolarHBondContact O-CB 3.38Å; Y1385-R1388 PolarHBondContact O-N 2.72Å; V1386-R1388 PolarHBondContact O-N 3.25Å; R1388-N1390 VanDerWaalsContact C-N 3.32Å
1389G86Confident90.9Very high51 Ų5166.4 Ų66.453%0.52633%0.326SS..THydrogen-bonded Turntrans81.49-170.200000113.9Y1385 V1386 V1391Y1385-G1389 PolarHBondContact O-N 3Å; V1386-G1389 PolarHBondContact O-N 2.88Å; G1389-V1391 VanDerWaalsContact C-N 3.27Å; G1389-V1391 PolarHBondContact O-N 3.43Å
1390N89.8Confident90.8Very high67 Ų6768.3 Ų68.336%0.35834%0.335SS..  trans-85.170.4179.7-67.418.5000109.1Y1385 R1388 E1392 E1393 A1394Y1385-N1390 HydrophobicContact CD1-CB 4.42Å; Y1385-N1390 PolarHBondContact O-N 2.78Å; Y1385-N1390 VanDerWaalsContact O-N 3.08Å; R1388-N1390 VanDerWaalsContact C-N 3.32Å; N1390-E1392 PolarHBondContact O-N 3.31Å; N1390-E1393 HydrophobicContact CB-CB 4.14Å; N1390-E1393 HydrophobicContact CB-CG 4.29Å; N1390-E1393 WeakPolarHBondContact CB-OE2 3.33Å; N1390-E1393 PolarHBondContact ND2-OE2 2.83Å; N1390-E1393 PolarHBondContact O-N 3.43Å; N1390-A1394 WeakPolarHBondContact O-CB 3.49Å; N1390-A1394 PolarHBondContact O-N 3.47Å
1391V87.9Confident90.7Very high32 Ų3265.7 Ų65.719%0.19432%0.322CS..Hα-helixtrans-67.6-37.8-170.1-161.90000112.2G1389 A1394 L1395 L1410 E1414G1389-V1391 VanDerWaalsContact C-N 3.27Å; G1389-V1391 PolarHBondContact O-N 3.43Å; V1391-A1394 WeakPolarHBondContact O-CB 2.88Å; V1391-A1394 PolarHBondContact O-N 2.9Å; V1391-L1395 WeakPolarHBondContact O-CB 3.35Å; V1391-L1395 PolarHBondContact O-N 3.24Å; V1391-L1410 HydrophobicContact CG1-CD1 3.72Å; V1391-L1410 HydrophobicContact CG1-CD2 3.68Å; V1391-L1410 HydrophobicContact CG1-CG 3.64Å; V1391-E1414 HydrophobicContact CB-CG 4.4Å; V1391-E1414 HydrophobicContact CG1-CG 3.6Å; V1391-E1414 WeakPolarHBondContact CG1-OE1 3.41Å
1392E88.9Confident90.6Very high170 Ų17063.4 Ų63.479%0.79432%0.322SS*.Hα-helixtrans-60.9-47.6174.8-63.1175.7174.300112.1N1390 L1395 Q1396N1390-E1392 PolarHBondContact O-N 3.31Å; E1392-L1395 PolarHBondContact O-N 2.69Å; E1392-Q1396 PolarHBondContact O-N 3.41Å
1393E90.5Very high90.7Very high96 Ų9663 Ų6345%0.44932%0.321SS..Hα-helixtrans-65.2-39176-63.8-173.2143.800111.8Y1385 N1390 L1395 W1397Y1385-E1393 HydrophobicContact CD1-CB 3.59Å; Y1385-E1393 HydrophobicContact CD1-CG 4.46Å; Y1385-E1393 WeakPolarHBondContact CD1-OE2 2.96Å; Y1385-E1393 HydrophobicContact CE1-CB 3.86Å; Y1385-E1393 HydrophobicContact CE1-CG 4.48Å; Y1385-E1393 VanDerWaalsContact CE1-OE2 3.24Å; Y1385-E1393 WeakPolarHBondContact CE1-OE2 3.47Å; Y1385-E1393 HydrophobicContact CG-CB 4.21Å; N1390-E1393 HydrophobicContact CB-CB 4.14Å; N1390-E1393 HydrophobicContact CB-CG 4.29Å; N1390-E1393 WeakPolarHBondContact CB-OE2 3.33Å; N1390-E1393 PolarHBondContact ND2-OE2 2.83Å; N1390-E1393 PolarHBondContact O-N 3.43Å; E1393-L1395 VanDerWaalsContact C-N 3.33Å; E1393-W1397 WeakPolarHBondContact O-CB 3.33Å; E1393-W1397 PolarHBondContact O-N 2.9Å
1394A92.5Very high90.5Very high0 Ų057.4 Ų57.40%030%0.3CS..Hα-helixtrans-61.1-44.1174.300000111.1F1382 V1386 N1390 V1391 A1398 L1410F1382-A1394 HydrophobicContact CD2-CB 3.96Å; F1382-A1394 WeakPolarHBondContact CD2-O 3.22Å; F1382-A1394 HydrophobicContact CE2-CB 3.89Å; F1382-A1394 WeakPolarHBondContact CE2-O 3.05Å; V1386-A1394 HydrophobicContact CG2-CB 3.61Å; N1390-A1394 WeakPolarHBondContact O-CB 3.49Å; N1390-A1394 PolarHBondContact O-N 3.47Å; V1391-A1394 WeakPolarHBondContact O-CB 2.88Å; V1391-A1394 PolarHBondContact O-N 2.9Å; A1394-A1398 WeakPolarHBondContact O-CB 3.37Å; A1394-A1398 PolarHBondContact O-N 3.14Å; A1394-L1410 HydrophobicContact CB-CD2 3.88Å
1395L91.3Very high90.5Very high16 Ų1660.3 Ų60.38%0.08432%0.316CS..Hα-helixtrans-63.8-52.1-179.9-16375.8000111.1V1391 E1392 E1393 W1397 A1398 T1399 A1407 L1410 A1411 A1418 V1422V1391-L1395 WeakPolarHBondContact O-CB 3.35Å; V1391-L1395 PolarHBondContact O-N 3.24Å; E1392-L1395 PolarHBondContact O-N 2.69Å; E1393-L1395 VanDerWaalsContact C-N 3.33Å; L1395-W1397 VanDerWaalsContact C-N 3.35Å; L1395-W1397 PolarHBondContact O-N 3.14Å; L1395-A1398 PolarHBondContact O-N 2.91Å; L1395-T1399 WeakPolarHBondContact O-CB 3.44Å; L1395-T1399 PolarHBondContact O-N 3.36Å; L1395-T1399 PolarHBondContact O-OG1 3.32Å; L1395-A1407 HydrophobicContact CD1-CB 4.46Å; L1395-A1407 VanDerWaalsContact CD1-O 3.32Å; L1395-A1407 WeakPolarHBondContact CD1-O 3.49Å; L1395-L1410 HydrophobicContact CB-CD2 4.3Å; L1395-L1410 HydrophobicContact CD1-CB 3.89Å; L1395-L1410 HydrophobicContact CD1-CD2 4.01Å; L1395-L1410 HydrophobicContact CD1-CG 4.16Å; L1395-A1411 HydrophobicContact CD1-CB 3.97Å; L1395-A1418 HydrophobicContact CD2-CB 3.85Å; L1395-V1422 HydrophobicContact CD1-CG2 3.95Å; L1395-V1422 HydrophobicContact CD2-CG2 3.86Å; L1395-V1422 HydrophobicContact CG-CG2 3.84Å
1396Q90.7Very high90.4Very high76 Ų7661.9 Ų61.936%0.35533%0.325SS..Hα-helixtrans-60.7-44.9178.6-174.859.237.700110.7E1392 A1398 T1399 D1400E1392-Q1396 PolarHBondContact O-N 3.41Å; Q1396-A1398 PolarHBondContact O-N 2.92Å; Q1396-T1399 CarbonylContact O-C 3.34Å; Q1396-T1399 PolarHBondContact O-N 3.31Å; Q1396-T1399 VanDerWaalsContact O-N 3.09Å; Q1396-D1400 VanDerWaalsContact NE2-CG 3.35Å; Q1396-D1400 PolarHBondContact NE2-OD1 3.21Å; Q1396-D1400 PolarHBondContact NE2-OD2 3.18Å; Q1396-D1400 PolarHBondContact O-N 3.17Å
1397W92.8Very high90.4Very high42 Ų4259 Ų5916%0.15931%0.308CS..Hα-helixtrans-58.7-44.7175.8178.3-90.9000113.1L1373 A1378 K1381 Y1385 E1393 L1395 T1399 D1400 N1401L1373-W1397 HydrophobicContact CD1-CH2 3.96Å; L1373-W1397 HydrophobicContact CD1-CZ2 4.26Å; L1373-W1397 HydrophobicContact CD2-CH2 4.2Å; L1373-W1397 HydrophobicContact CD2-CZ2 4.06Å; A1378-W1397 PolarHBondContact O-NE1 3.42Å; K1381-W1397 HydrophobicContact CB-CZ2 4.16Å; K1381-W1397 HydrophobicContact CD-CD2 4Å; K1381-W1397 HydrophobicContact CD-CE3 4.12Å; K1381-W1397 HydrophobicContact CD-CH2 3.55Å; K1381-W1397 HydrophobicContact CD-CZ2 3.35Å; K1381-W1397 HydrophobicContact CD-CZ3 3.92Å; K1381-W1397 HydrophobicContact CG-CZ2 4.35Å; K1381-W1397 VanDerWaalsContact NZ-CH2 3.28Å; Y1385-W1397 HydrophobicContact CD2-CB 4.21Å; Y1385-W1397 HydrophobicContact CD2-CG 4.2Å; Y1385-W1397 HydrophobicContact CE2-CB 4.08Å; Y1385-W1397 HydrophobicContact CE2-CD2 4.1Å; Y1385-W1397 HydrophobicContact CE2-CE3 4.39Å; Y1385-W1397 AromaticContact CE2-CG 3.92Å; Y1385-W1397 HydrophobicContact CE2-CG 3.92Å; E1393-W1397 WeakPolarHBondContact O-CB 3.33Å; E1393-W1397 PolarHBondContact O-N 2.9Å; L1395-W1397 VanDerWaalsContact C-N 3.35Å; L1395-W1397 PolarHBondContact O-N 3.14Å; W1397-T1399 VanDerWaalsContact C-N 3.27Å; W1397-T1399 PolarHBondContact O-N 2.94Å; W1397-D1400 PolarHBondContact O-N 3.48Å; W1397-N1401 VanDerWaalsContact CZ2-ND2 3.26Å; W1397-N1401 WeakPolarHBondContact CZ2-ND2 3.12Å; W1397-N1401 VanDerWaalsContact CZ2-OD1 3.3Å; W1397-N1401 WeakPolarHBondContact CZ2-OD1 3.39Å; W1397-N1401 WeakPolarHBondContact O-CB 3.31Å; W1397-N1401 PolarHBondContact O-N 2.84Å; W1397-N1401 VanDerWaalsContact O-N 3.09Å; W1397-N1401 PolarHBondContact O-ND2 2.88Å
1398A92.2Very high90.4Very high0 Ų055.4 Ų55.40%029%0.286CS..Hα-helixtrans-62.1-37.9175.600000112F1382 A1394 L1395 Q1396 N1401 G1402 L1403 A1407F1382-A1398 HydrophobicContact CD2-CB 3.7Å; F1382-A1398 HydrophobicContact CE2-CB 3.8Å; A1394-A1398 WeakPolarHBondContact O-CB 3.37Å; A1394-A1398 PolarHBondContact O-N 3.14Å; L1395-A1398 PolarHBondContact O-N 2.91Å; Q1396-A1398 PolarHBondContact O-N 2.92Å; A1398-N1401 PolarHBondContact O-N 3.47Å; A1398-G1402 PolarHBondContact O-N 3.31Å; A1398-L1403 HydrophobicContact CB-CB 4.04Å; A1398-L1403 PolarHBondContact O-N 3.01Å; A1398-A1407 HydrophobicContact CB-CB 3.92Å
1399T90.3Very high90.4Very high1 Ų153 Ų531%0.00628%0.281CS..Hα-helixtrans-74.5-31.2-178.4-44.50000112.5L1395 Q1396 W1397 W1404 K1425L1395-T1399 WeakPolarHBondContact O-CB 3.44Å; L1395-T1399 PolarHBondContact O-N 3.36Å; L1395-T1399 PolarHBondContact O-OG1 3.32Å; Q1396-T1399 CarbonylContact O-C 3.34Å; Q1396-T1399 PolarHBondContact O-N 3.31Å; Q1396-T1399 VanDerWaalsContact O-N 3.09Å; W1397-T1399 VanDerWaalsContact C-N 3.27Å; W1397-T1399 PolarHBondContact O-N 2.94Å; T1399-W1404 HydrophobicContact CG2-CE3 4.25Å; T1399-W1404 HydrophobicContact CG2-CH2 3.92Å; T1399-W1404 HydrophobicContact CG2-CZ3 3.4Å; T1399-W1404 VanDerWaalsContact CG2-CZ3 3.4Å; T1399-K1425 HydrophobicContact CG2-CB 3.5Å; T1399-K1425 VanDerWaalsContact CG2-CB 3.5Å; T1399-K1425 HydrophobicContact CG2-CD 3.61Å; T1399-K1425 HydrophobicContact CG2-CG 4.15Å
1400D90.2Very high90.6Very high73 Ų7352 Ų5239%0.3926%0.263SS..Hα-helixtrans-77.9-26.5173.6-74.6-44000113.8Q1396 W1397 R1429Q1396-D1400 VanDerWaalsContact NE2-CG 3.35Å; Q1396-D1400 PolarHBondContact NE2-OD1 3.21Å; Q1396-D1400 PolarHBondContact NE2-OD2 3.18Å; Q1396-D1400 PolarHBondContact O-N 3.17Å; W1397-D1400 PolarHBondContact O-N 3.48Å; D1400-R1429 IonicContact OD1-CZ 3.62Å; D1400-R1429 IonicContact OD1-NH1 2.83Å; D1400-R1429 PolarHBondContact OD1-NH1 2.67Å; D1400-R1429 IonicContact OD1-NH2 2.66Å; D1400-R1429 PolarHBondContact OD1-NH2 3.33Å
1401N89.1Confident90.6Very high41 Ų4148.8 Ų48.822%0.21925%0.246CC..THydrogen-bonded Turntrans-100.211.8179.8-69.1-104.3000113.4A1378 W1397 A1398 L1403A1378-N1401 HydrophobicContact CB-CB 3.85Å; W1397-N1401 VanDerWaalsContact CZ2-ND2 3.26Å; W1397-N1401 WeakPolarHBondContact CZ2-ND2 3.12Å; W1397-N1401 VanDerWaalsContact CZ2-OD1 3.3Å; W1397-N1401 WeakPolarHBondContact CZ2-OD1 3.39Å; W1397-N1401 WeakPolarHBondContact O-CB 3.31Å; W1397-N1401 PolarHBondContact O-N 2.84Å; W1397-N1401 VanDerWaalsContact O-N 3.09Å; W1397-N1401 PolarHBondContact O-ND2 2.88Å; A1398-N1401 PolarHBondContact O-N 3.47Å; N1401-L1403 HydrophobicContact CB-CG 4.37Å; N1401-L1403 PolarHBondContact O-N 3.19Å
1402G87.7Confident90.7Very high37 Ų3752.3 Ų52.338%0.38126%0.263SS..THydrogen-bonded Turntrans68.316.6177.800000115.4A1398 W1404A1398-G1402 PolarHBondContact O-N 3.31Å; G1402-W1404 PolarHBondContact O-N 3.36Å; G1402-W1404 PolarHBondContact O-NE1 3.48Å
1403L91.5Very high90.6Very high11 Ų1151.8 Ų51.86%0.05826%0.255CS..  trans-79.151177.8-60.2178000111.1E1375 A1378 F1382 A1398 N1401 T1405 H1406 A1407E1375-L1403 HydrophobicContact CG-CD2 3.84Å; A1378-L1403 HydrophobicContact CB-CD1 3.87Å; A1378-L1403 HydrophobicContact CB-CD2 4.4Å; A1378-L1403 HydrophobicContact CB-CG 4.31Å; F1382-L1403 HydrophobicContact CB-CD1 4.25Å; A1398-L1403 HydrophobicContact CB-CB 4.04Å; A1398-L1403 PolarHBondContact O-N 3.01Å; N1401-L1403 HydrophobicContact CB-CG 4.37Å; N1401-L1403 PolarHBondContact O-N 3.19Å; L1403-T1405 VanDerWaalsContact C-N 3.31Å; L1403-T1405 PolarHBondContact O-N 3.19Å; L1403-H1406 HydrophobicContact CB-CB 4.32Å; L1403-H1406 WeakPolarHBondContact O-CA 3.25Å; L1403-H1406 WeakPolarHBondContact O-CB 3.41Å; L1403-H1406 PolarHBondContact O-N 3.37Å; L1403-A1407 PolarHBondContact O-N 2.78Å
1404W90.4Very high90.3Very high39 Ų3952.5 Ų52.515%0.14826%0.258CS..Hα-helixtrans-55.3-41.2-166.9-58.2110.8000113.4T1399 G1402 H1406 A1407 F1408 K1425 F1426 R1429 A1430T1399-W1404 HydrophobicContact CG2-CE3 4.25Å; T1399-W1404 HydrophobicContact CG2-CH2 3.92Å; T1399-W1404 HydrophobicContact CG2-CZ3 3.4Å; T1399-W1404 VanDerWaalsContact CG2-CZ3 3.4Å; G1402-W1404 PolarHBondContact O-N 3.36Å; G1402-W1404 PolarHBondContact O-NE1 3.48Å; W1404-H1406 VanDerWaalsContact C-N 3.31Å; W1404-H1406 PolarHBondContact O-N 3.21Å; W1404-A1407 PolarHBondContact O-N 2.97Å; W1404-F1408 HydrophobicContact CB-CD2 4.41Å; W1404-F1408 WeakPolarHBondContact O-CB 3.49Å; W1404-F1408 WeakPolarHBondContact O-CD2 3.42Å; W1404-F1408 PolarHBondContact O-N 3.46Å; W1404-K1425 HydrophobicContact CH2-CB 4.37Å; W1404-K1425 WeakPolarHBondContact CH2-O 3.43Å; W1404-K1425 HydrophobicContact CZ3-CB 4.14Å; W1404-F1426 HydrophobicContact CB-CD2 4.01Å; W1404-F1426 HydrophobicContact CB-CE2 4.34Å; W1404-F1426 HydrophobicContact CD2-CB 4.23Å; W1404-F1426 AromaticContact CD2-CD2 3.59Å; W1404-F1426 HydrophobicContact CD2-CD2 3.59Å; W1404-F1426 HydrophobicContact CD2-CE2 4.49Å; W1404-F1426 HydrophobicContact CD2-CG 4.39Å; W1404-F1426 HydrophobicContact CE3-CB 3.63Å; W1404-F1426 AromaticContact CE3-CD2 3.88Å; W1404-F1426 HydrophobicContact CE3-CD2 3.88Å; W1404-F1426 HydrophobicContact CE3-CG 4.24Å; W1404-F1426 AromaticContact CG-CD2 3.61Å; W1404-F1426 HydrophobicContact CG-CD2 3.61Å; W1404-F1426 HydrophobicContact CG-CE2 4.1Å; W1404-F1426 HydrophobicContact CH2-CB 4.44Å; W1404-F1426 HydrophobicContact CZ3-CB 3.73Å; W1404-R1429 HydrophobicContact CH2-CB 4.03Å; W1404-R1429 HydrophobicContact CZ2-CB 3.94Å; W1404-A1430 HydrophobicContact CD2-CB 4.47Å; W1404-A1430 HydrophobicContact CZ2-CB 4.01Å
1405T90.8Very high89.7Confident98 Ų9856.2 Ų56.260%0.60128%0.278SS*.Hα-helixtrans-61.6-38.9177.2-48.80000112.1L1403 F1409L1403-T1405 VanDerWaalsContact C-N 3.31Å; L1403-T1405 PolarHBondContact O-N 3.19Å; T1405-F1409 HydrophobicContact CG2-CD2 3.89Å; T1405-F1409 HydrophobicContact CG2-CE2 3.83Å; T1405-F1409 VanDerWaalsContact O-CD2 3.23Å; T1405-F1409 WeakPolarHBondContact O-CD2 3.32Å; T1405-F1409 PolarHBondContact O-N 2.91Å; T1405-F1409 VanDerWaalsContact O-N 3.07Å
1406H91.9Very high89.3Confident77 Ų7765.4 Ų65.436%0.35631%0.312SS..Hα-helixtrans-71.4-40.6175.4-72.2-54.4000112F1382 L1403 W1404 L1410F1382-H1406 HydrophobicContact CD1-CB 4.4Å; F1382-H1406 HydrophobicContact CE1-CB 3.85Å; F1382-H1406 HydrophobicContact CE2-CB 4.47Å; F1382-H1406 HydrophobicContact CZ-CB 3.88Å; L1403-H1406 HydrophobicContact CB-CB 4.32Å; L1403-H1406 WeakPolarHBondContact O-CA 3.25Å; L1403-H1406 WeakPolarHBondContact O-CB 3.41Å; L1403-H1406 PolarHBondContact O-N 3.37Å; W1404-H1406 VanDerWaalsContact C-N 3.31Å; W1404-H1406 PolarHBondContact O-N 3.21Å; H1406-L1410 VanDerWaalsContact O-CB 3.31Å; H1406-L1410 WeakPolarHBondContact O-CB 3.3Å; H1406-L1410 PolarHBondContact O-N 2.8Å
1407A92.1Very high89.1Confident0 Ų070.7 Ų70.70%033%0.33CS..Hα-helixtrans-61-47.9174.500000111.6L1395 A1398 L1403 W1404 L1410 A1411 V1422L1395-A1407 HydrophobicContact CD1-CB 4.46Å; L1395-A1407 VanDerWaalsContact CD1-O 3.32Å; L1395-A1407 WeakPolarHBondContact CD1-O 3.49Å; A1398-A1407 HydrophobicContact CB-CB 3.92Å; L1403-A1407 PolarHBondContact O-N 2.78Å; W1404-A1407 PolarHBondContact O-N 2.97Å; A1407-L1410 PolarHBondContact O-N 3.14Å; A1407-A1411 VanDerWaalsContact O-CB 3.27Å; A1407-A1411 WeakPolarHBondContact O-CB 3.38Å; A1407-A1411 PolarHBondContact O-N 2.95Å; A1407-V1422 HydrophobicContact CB-CG1 3.64Å; A1407-V1422 HydrophobicContact CB-CG2 4.2Å
1408F91.6Very high88.7Confident62 Ų6269.6 Ų69.627%0.27233%0.33SS..Hα-helixtrans-62.1-45.5177.6-85-63.5000112.7W1404 L1410 L1412 L1419 V1422 A1423 F1426W1404-F1408 HydrophobicContact CB-CD2 4.41Å; W1404-F1408 WeakPolarHBondContact O-CB 3.49Å; W1404-F1408 WeakPolarHBondContact O-CD2 3.42Å; W1404-F1408 PolarHBondContact O-N 3.46Å; F1408-L1410 VanDerWaalsContact C-N 3.34Å; F1408-L1410 PolarHBondContact O-N 3.11Å; F1408-L1412 WeakPolarHBondContact O-CB 3.2Å; F1408-L1412 PolarHBondContact O-N 3.18Å; F1408-L1419 HydrophobicContact CD1-CD1 3.96Å; F1408-V1422 HydrophobicContact CD1-CG1 4.03Å; F1408-V1422 HydrophobicContact CD2-CG1 4.36Å; F1408-V1422 HydrophobicContact CE1-CG1 4.13Å; F1408-V1422 HydrophobicContact CE2-CG1 4.45Å; F1408-V1422 HydrophobicContact CG-CG1 4.14Å; F1408-V1422 HydrophobicContact CZ-CG1 4.34Å; F1408-A1423 HydrophobicContact CE1-CB 3.98Å; F1408-A1423 HydrophobicContact CZ-CB 4.31Å; F1408-F1426 HydrophobicContact CE2-CB 4.06Å; F1408-F1426 HydrophobicContact CE2-CD1 4.1Å; F1408-F1426 HydrophobicContact CE2-CD2 4.22Å; F1408-F1426 AromaticContact CE2-CG 3.87Å; F1408-F1426 HydrophobicContact CE2-CG 3.87Å; F1408-F1426 HydrophobicContact CZ-CB 4.01Å; F1408-F1426 HydrophobicContact CZ-CD1 4.06Å; F1408-F1426 HydrophobicContact CZ-CG 4.07Å
1409F90.2Very high88.5Confident124 Ų12472.1 Ų72.154%0.54434%0.343SS..Hα-helixtrans-64-38.8177.2-88.1-60.9000112.4T1405 Y1413T1405-F1409 HydrophobicContact CG2-CD2 3.89Å; T1405-F1409 HydrophobicContact CG2-CE2 3.83Å; T1405-F1409 VanDerWaalsContact O-CD2 3.23Å; T1405-F1409 WeakPolarHBondContact O-CD2 3.32Å; T1405-F1409 PolarHBondContact O-N 2.91Å; T1405-F1409 VanDerWaalsContact O-N 3.07Å; F1409-Y1413 WeakPolarHBondContact O-CD2 3.33Å
1410L89.7Confident88.3Confident29 Ų2975.9 Ų75.915%0.15237%0.366CS..Hα-helixtrans-69.3-47.1178.8-16765.2000111.2F1382 V1386 V1391 A1394 L1395 H1406 A1407 F1408 L1412 Y1413 E1414F1382-L1410 HydrophobicContact CE2-CD2 3.68Å; F1382-L1410 HydrophobicContact CZ-CD2 3.89Å; V1386-L1410 HydrophobicContact CG2-CD2 4.37Å; V1391-L1410 HydrophobicContact CG1-CD1 3.72Å; V1391-L1410 HydrophobicContact CG1-CD2 3.68Å; V1391-L1410 HydrophobicContact CG1-CG 3.64Å; A1394-L1410 HydrophobicContact CB-CD2 3.88Å; L1395-L1410 HydrophobicContact CB-CD2 4.3Å; L1395-L1410 HydrophobicContact CD1-CB 3.89Å; L1395-L1410 HydrophobicContact CD1-CD2 4.01Å; L1395-L1410 HydrophobicContact CD1-CG 4.16Å; H1406-L1410 VanDerWaalsContact O-CB 3.31Å; H1406-L1410 WeakPolarHBondContact O-CB 3.3Å; H1406-L1410 PolarHBondContact O-N 2.8Å; A1407-L1410 PolarHBondContact O-N 3.14Å; F1408-L1410 VanDerWaalsContact C-N 3.34Å; F1408-L1410 PolarHBondContact O-N 3.11Å; L1410-L1412 VanDerWaalsContact C-N 3.26Å; L1410-L1412 PolarHBondContact O-N 2.83Å; L1410-Y1413 PolarHBondContact O-N 2.94Å; L1410-Y1413 VanDerWaalsContact O-N 3.07Å; L1410-E1414 PolarHBondContact O-N 3.36Å
1411A90.6Very high88.1Confident0 Ų075.5 Ų75.50%036%0.364CS..Hα-helixtrans-60.4-32.8177.400000113.5L1395 A1407 Y1413 E1414 D1415 A1418 L1419 V1422L1395-A1411 HydrophobicContact CD1-CB 3.97Å; A1407-A1411 VanDerWaalsContact O-CB 3.27Å; A1407-A1411 WeakPolarHBondContact O-CB 3.38Å; A1407-A1411 PolarHBondContact O-N 2.95Å; A1411-Y1413 PolarHBondContact O-N 3.18Å; A1411-E1414 PolarHBondContact O-N 2.75Å; A1411-D1415 PolarHBondContact O-N 3.46Å; A1411-D1415 VanDerWaalsContact O-O 3.12Å; A1411-A1418 HydrophobicContact CB-CB 4.25Å; A1411-L1419 HydrophobicContact CB-CB 4.16Å; A1411-L1419 HydrophobicContact CB-CD1 4.1Å; A1411-V1422 HydrophobicContact CB-CB 4.5Å; A1411-V1422 HydrophobicContact CB-CG2 4.19Å
1412L89.2Confident88.1Confident106 Ų10673.5 Ų73.556%0.55535%0.353SS*.Hα-helixtrans-63.5-22.2176.9-160.7100.7000113.2F1408 L1410 L1419F1408-L1412 WeakPolarHBondContact O-CB 3.2Å; F1408-L1412 PolarHBondContact O-N 3.18Å; L1410-L1412 VanDerWaalsContact C-N 3.26Å; L1410-L1412 PolarHBondContact O-N 2.83Å; L1412-L1419 HydrophobicContact CD1-CD1 4.32Å; L1412-L1419 HydrophobicContact CD1-CD2 4.06Å
1413Y86.9Confident88Confident160 Ų16073.5 Ų73.563%0.62735%0.35SS*.Hα-helixtrans-101.9-20.6179.8-67.7-60.3000114.3F1409 L1410 A1411F1409-Y1413 WeakPolarHBondContact O-CD2 3.33Å; L1410-Y1413 PolarHBondContact O-N 2.94Å; L1410-Y1413 VanDerWaalsContact O-N 3.07Å; A1411-Y1413 PolarHBondContact O-N 3.18Å
1414E84.1Confident87.6Confident110 Ų11077 Ų7751%0.51437%0.366SS..Hα-helixtrans-78.7-82.7173.4-70.3-60.4128.100111.1V1391 L1410 A1411V1391-E1414 HydrophobicContact CB-CG 4.4Å; V1391-E1414 HydrophobicContact CG1-CG 3.6Å; V1391-E1414 WeakPolarHBondContact CG1-OE1 3.41Å; L1410-E1414 PolarHBondContact O-N 3.36Å; A1411-E1414 PolarHBondContact O-N 2.75Å
1415D79.5Confident87.5Confident78 Ų7877.9 Ų77.942%0.41737%0.37SS..  trans-155.4175.617793.1-8.8000114.6A1411 Y1417 A1418 L1419A1411-D1415 PolarHBondContact O-N 3.46Å; A1411-D1415 VanDerWaalsContact O-O 3.12Å; D1415-Y1417 VanDerWaalsContact C-N 3.33Å; D1415-Y1417 PolarHBondContact O-N 3.33Å; D1415-Y1417 WeakPolarHBondContact OD1-CA 3.48Å; D1415-Y1417 WeakPolarHBondContact OD1-CB 3.1Å; D1415-Y1417 PolarHBondContact OD1-N 3.28Å; D1415-Y1417 WeakPolarHBondContact OD2-CD2 3.24Å; D1415-A1418 PolarHBondContact OD1-N 2.89Å; D1415-L1419 WeakPolarHBondContact O-CB 3.2Å; D1415-L1419 PolarHBondContact O-N 3.23Å; D1415-L1419 VanDerWaalsContact O-N 3.16Å
1416R83.1Confident87.4Confident209 Ų20975.5 Ų75.579%0.78935%0.352SS*.Hα-helixtrans-71.3-23.8-179.6-65.7-171.3-173.7175.33.1113.9T1420R1416-T1420 WeakPolarHBondContact O-CB 3.33Å; R1416-T1420 PolarHBondContact O-N 2.69Å; R1416-T1420 VanDerWaalsContact O-N 3.08Å; R1416-T1420 PolarHBondContact O-OG1 3.25Å
1417Y86.5Confident86.9Confident188 Ų18872.5 Ų72.574%0.73734%0.338SS*.Hα-helixtrans-77.6-45-179.5-64.2-69.5000109.9D1415 L1419 T1420 D1421D1415-Y1417 VanDerWaalsContact C-N 3.33Å; D1415-Y1417 PolarHBondContact O-N 3.33Å; D1415-Y1417 WeakPolarHBondContact OD1-CA 3.48Å; D1415-Y1417 WeakPolarHBondContact OD1-CB 3.1Å; D1415-Y1417 PolarHBondContact OD1-N 3.28Å; D1415-Y1417 WeakPolarHBondContact OD2-CD2 3.24Å; Y1417-L1419 VanDerWaalsContact C-N 3.31Å; Y1417-L1419 PolarHBondContact O-N 3.46Å; Y1417-T1420 PolarHBondContact O-N 2.9Å; Y1417-T1420 VanDerWaalsContact O-N 3.1Å; Y1417-D1421 WeakPolarHBondContact O-CB 3.47Å; Y1417-D1421 PolarHBondContact O-N 3.12Å
1418A85.8Confident86.4Confident19 Ų1977.6 Ų77.616%0.15737%0.366CS..Hα-helixtrans-56-43.3168.900000112.1L1395 A1411 D1415 T1420 D1421 V1422L1395-A1418 HydrophobicContact CD2-CB 3.85Å; A1411-A1418 HydrophobicContact CB-CB 4.25Å; D1415-A1418 PolarHBondContact OD1-N 2.89Å; A1418-T1420 VanDerWaalsContact C-N 3.29Å; A1418-T1420 PolarHBondContact O-N 3.12Å; A1418-D1421 PolarHBondContact O-N 2.6Å; A1418-V1422 WeakPolarHBondContact O-CG2 3.3Å; A1418-V1422 PolarHBondContact O-N 2.77Å
1419L87.7Confident86.1Confident52 Ų5282.1 Ų82.127%0.27238%0.381SS..Hα-helixtrans-65.1-33.8176.6-174.365.2000112.5F1408 A1411 L1412 D1415 Y1417 A1423F1408-L1419 HydrophobicContact CD1-CD1 3.96Å; A1411-L1419 HydrophobicContact CB-CB 4.16Å; A1411-L1419 HydrophobicContact CB-CD1 4.1Å; L1412-L1419 HydrophobicContact CD1-CD1 4.32Å; L1412-L1419 HydrophobicContact CD1-CD2 4.06Å; D1415-L1419 WeakPolarHBondContact O-CB 3.2Å; D1415-L1419 PolarHBondContact O-N 3.23Å; D1415-L1419 VanDerWaalsContact O-N 3.16Å; Y1417-L1419 VanDerWaalsContact C-N 3.31Å; Y1417-L1419 PolarHBondContact O-N 3.46Å; L1419-A1423 VanDerWaalsContact O-CB 3.3Å; L1419-A1423 WeakPolarHBondContact O-CB 3.18Å; L1419-A1423 PolarHBondContact O-N 2.75Å
1420T85.1Confident85.5Confident81 Ų8178.5 Ų78.550%0.49737%0.374SS..Hα-helixtrans-74.4-41.6176.1-55.40000111.3R1416 Y1417 A1418 A1423 Q1424R1416-T1420 WeakPolarHBondContact O-CB 3.33Å; R1416-T1420 PolarHBondContact O-N 2.69Å; R1416-T1420 VanDerWaalsContact O-N 3.08Å; R1416-T1420 PolarHBondContact O-OG1 3.25Å; Y1417-T1420 PolarHBondContact O-N 2.9Å; Y1417-T1420 VanDerWaalsContact O-N 3.1Å; A1418-T1420 VanDerWaalsContact C-N 3.29Å; A1418-T1420 PolarHBondContact O-N 3.12Å; T1420-A1423 WeakPolarHBondContact O-CB 3.23Å; T1420-A1423 PolarHBondContact O-N 2.73Å; T1420-Q1424 WeakPolarHBondContact O-CG 3.27Å; T1420-Q1424 PolarHBondContact O-N 2.62Å
1421D86.5Confident85.2Confident64 Ų6478.1 Ų78.134%0.34237%0.372SS..Hα-helixtrans-62.4-49177.2174.163.8000112Y1417 A1418 A1423 Q1424 K1425Y1417-D1421 WeakPolarHBondContact O-CB 3.47Å; Y1417-D1421 PolarHBondContact O-N 3.12Å; A1418-D1421 PolarHBondContact O-N 2.6Å; D1421-A1423 VanDerWaalsContact C-N 3.28Å; D1421-A1423 PolarHBondContact O-N 2.86Å; D1421-Q1424 PolarHBondContact O-N 3.44Å; D1421-K1425 VanDerWaalsContact CG-NZ 3.28Å; D1421-K1425 WeakPolarHBondContact O-CB 3.3Å; D1421-K1425 WeakPolarHBondContact O-CG 3.38Å; D1421-K1425 PolarHBondContact O-N 3.35Å; D1421-K1425 WeakPolarHBondContact OD1-CE 3.34Å; D1421-K1425 IonicContact OD1-NZ 3.06Å; D1421-K1425 PolarHBondContact OD1-NZ 3Å; D1421-K1425 VanDerWaalsContact OD1-NZ 3.1Å; D1421-K1425 WeakPolarHBondContact OD2-CE 3.31Å; D1421-K1425 IonicContact OD2-NZ 3.19Å; D1421-K1425 PolarHBondContact OD2-NZ 2.9Å
1422V89.3Confident84.7Confident0 Ų086 Ų860%041%0.406CS..Hα-helixtrans-60.6-38.5173.9171.70000111.4L1395 A1407 F1408 A1411 A1418 F1426L1395-V1422 HydrophobicContact CD1-CG2 3.95Å; L1395-V1422 HydrophobicContact CD2-CG2 3.86Å; L1395-V1422 HydrophobicContact CG-CG2 3.84Å; A1407-V1422 HydrophobicContact CB-CG1 3.64Å; A1407-V1422 HydrophobicContact CB-CG2 4.2Å; F1408-V1422 HydrophobicContact CD1-CG1 4.03Å; F1408-V1422 HydrophobicContact CD2-CG1 4.36Å; F1408-V1422 HydrophobicContact CE1-CG1 4.13Å; F1408-V1422 HydrophobicContact CE2-CG1 4.45Å; F1408-V1422 HydrophobicContact CG-CG1 4.14Å; F1408-V1422 HydrophobicContact CZ-CG1 4.34Å; A1411-V1422 HydrophobicContact CB-CB 4.5Å; A1411-V1422 HydrophobicContact CB-CG2 4.19Å; A1418-V1422 WeakPolarHBondContact O-CG2 3.3Å; A1418-V1422 PolarHBondContact O-N 2.77Å; V1422-F1426 VanDerWaalsContact O-CB 3.25Å; V1422-F1426 WeakPolarHBondContact O-CB 3.4Å; V1422-F1426 PolarHBondContact O-N 3.12Å
1423A85.9Confident84Confident37 Ų3783 Ų8331%0.30640%0.396SS..Hα-helixtrans-64.6-41.3175.800000112.8F1408 L1419 T1420 D1421 L1427F1408-A1423 HydrophobicContact CE1-CB 3.98Å; F1408-A1423 HydrophobicContact CZ-CB 4.31Å; L1419-A1423 VanDerWaalsContact O-CB 3.3Å; L1419-A1423 WeakPolarHBondContact O-CB 3.18Å; L1419-A1423 PolarHBondContact O-N 2.75Å; T1420-A1423 WeakPolarHBondContact O-CB 3.23Å; T1420-A1423 PolarHBondContact O-N 2.73Å; D1421-A1423 VanDerWaalsContact C-N 3.28Å; D1421-A1423 PolarHBondContact O-N 2.86Å; A1423-L1427 WeakPolarHBondContact O-CB 3.36Å; A1423-L1427 PolarHBondContact O-N 2.98Å
1424Q83.1Confident83.5Confident85 Ų8578.1 Ų78.140%0.39738%0.381SS..Hα-helixtrans-68.8-44.3176-69-63.8-25.800111.5T1420 D1421 F1426 L1427 N1428T1420-Q1424 WeakPolarHBondContact O-CG 3.27Å; T1420-Q1424 PolarHBondContact O-N 2.62Å; D1421-Q1424 PolarHBondContact O-N 3.44Å; Q1424-F1426 VanDerWaalsContact C-N 3.3Å; Q1424-F1426 PolarHBondContact O-N 2.67Å; Q1424-L1427 PolarHBondContact O-N 3Å; Q1424-N1428 WeakPolarHBondContact O-CB 3.42Å; Q1424-N1428 VanDerWaalsContact O-CG 3.24Å; Q1424-N1428 PolarHBondContact O-N 3.43Å; Q1424-N1428 PolarHBondContact O-ND2 2.85Å
1425K87.5Confident83.6Confident56 Ų5675.1 Ų75.124%0.24337%0.369CS..Hα-helixtrans-60.9-39175.3-71.7172.2178.9163.20111.4T1399 W1404 D1421 N1428 R1429T1399-K1425 HydrophobicContact CG2-CB 3.5Å; T1399-K1425 VanDerWaalsContact CG2-CB 3.5Å; T1399-K1425 HydrophobicContact CG2-CD 3.61Å; T1399-K1425 HydrophobicContact CG2-CG 4.15Å; W1404-K1425 HydrophobicContact CH2-CB 4.37Å; W1404-K1425 WeakPolarHBondContact CH2-O 3.43Å; W1404-K1425 HydrophobicContact CZ3-CB 4.14Å; D1421-K1425 VanDerWaalsContact CG-NZ 3.28Å; D1421-K1425 WeakPolarHBondContact O-CB 3.3Å; D1421-K1425 WeakPolarHBondContact O-CG 3.38Å; D1421-K1425 PolarHBondContact O-N 3.35Å; D1421-K1425 WeakPolarHBondContact OD1-CE 3.34Å; D1421-K1425 IonicContact OD1-NZ 3.06Å; D1421-K1425 PolarHBondContact OD1-NZ 3Å; D1421-K1425 VanDerWaalsContact OD1-NZ 3.1Å; D1421-K1425 WeakPolarHBondContact OD2-CE 3.31Å; D1421-K1425 IonicContact OD2-NZ 3.19Å; D1421-K1425 PolarHBondContact OD2-NZ 2.9Å; K1425-N1428 PolarHBondContact O-N 2.91Å; K1425-R1429 WeakPolarHBondContact O-CB 3.24Å; K1425-R1429 PolarHBondContact O-N 2.88Å
1426F88.6Confident84Confident49 Ų4973 Ų7322%0.21536%0.359CS..Hα-helixtrans-62-50.7172.4173.7-108.4000111.6W1404 F1408 V1422 Q1424 N1428 R1429 A1430 I1431W1404-F1426 HydrophobicContact CB-CD2 4.01Å; W1404-F1426 HydrophobicContact CB-CE2 4.34Å; W1404-F1426 HydrophobicContact CD2-CB 4.23Å; W1404-F1426 AromaticContact CD2-CD2 3.59Å; W1404-F1426 HydrophobicContact CD2-CD2 3.59Å; W1404-F1426 HydrophobicContact CD2-CE2 4.49Å; W1404-F1426 HydrophobicContact CD2-CG 4.39Å; W1404-F1426 HydrophobicContact CE3-CB 3.63Å; W1404-F1426 AromaticContact CE3-CD2 3.88Å; W1404-F1426 HydrophobicContact CE3-CD2 3.88Å; W1404-F1426 HydrophobicContact CE3-CG 4.24Å; W1404-F1426 AromaticContact CG-CD2 3.61Å; W1404-F1426 HydrophobicContact CG-CD2 3.61Å; W1404-F1426 HydrophobicContact CG-CE2 4.1Å; W1404-F1426 HydrophobicContact CH2-CB 4.44Å; W1404-F1426 HydrophobicContact CZ3-CB 3.73Å; F1408-F1426 HydrophobicContact CE2-CB 4.06Å; F1408-F1426 HydrophobicContact CE2-CD1 4.1Å; F1408-F1426 HydrophobicContact CE2-CD2 4.22Å; F1408-F1426 AromaticContact CE2-CG 3.87Å; F1408-F1426 HydrophobicContact CE2-CG 3.87Å; F1408-F1426 HydrophobicContact CZ-CB 4.01Å; F1408-F1426 HydrophobicContact CZ-CD1 4.06Å; F1408-F1426 HydrophobicContact CZ-CG 4.07Å; V1422-F1426 VanDerWaalsContact O-CB 3.25Å; V1422-F1426 WeakPolarHBondContact O-CB 3.4Å; V1422-F1426 PolarHBondContact O-N 3.12Å; Q1424-F1426 VanDerWaalsContact C-N 3.3Å; Q1424-F1426 PolarHBondContact O-N 2.67Å; F1426-N1428 PolarHBondContact O-N 2.91Å; F1426-R1429 PolarHBondContact O-N 2.8Å; F1426-A1430 HydrophobicContact CD2-CB 3.38Å; F1426-A1430 HydrophobicContact CE2-CB 3.48Å; F1426-A1430 VanDerWaalsContact CE2-CB 3.48Å; F1426-A1430 HydrophobicContact CG-CB 4.25Å; F1426-A1430 HydrophobicContact CZ-CB 4.4Å; F1426-A1430 VanDerWaalsContact O-CB 3.28Å; F1426-A1430 WeakPolarHBondContact O-CB 3.16Å; F1426-A1430 PolarHBondContact O-N 2.94Å; F1426-I1431 HydrophobicContact CD1-CD1 4.34Å; F1426-I1431 HydrophobicContact CE1-CD1 3.62Å; F1426-I1431 HydrophobicContact CE1-CG1 4.22Å; F1426-I1431 HydrophobicContact CZ-CD1 4Å; F1426-I1431 HydrophobicContact CZ-CG1 4.21Å
1427L82.3Confident84.3Confident13 Ų1366.7 Ų66.77%0.06834%0.341CS..Hα-helixtrans-61-27.6-178.4-16664.9000113.4A1423 Q1424 I1431 Q1438 Y1441 Q1442A1423-L1427 WeakPolarHBondContact O-CB 3.36Å; A1423-L1427 PolarHBondContact O-N 2.98Å; Q1424-L1427 PolarHBondContact O-N 3Å; L1427-I1431 HydrophobicContact CD1-CD1 4.26Å; L1427-Q1438 HydrophobicContact CD1-CB 4.38Å; L1427-Q1438 HydrophobicContact CD1-CG 3.47Å; L1427-Q1438 VanDerWaalsContact CD1-CG 3.47Å; L1427-Q1438 HydrophobicContact CD2-CG 4.36Å; L1427-Q1438 HydrophobicContact CG-CG 3.67Å; L1427-Q1438 PolarHBondContact O-NE2 3.21Å; L1427-Y1441 HydrophobicContact CD1-CD2 3.58Å; L1427-Y1441 HydrophobicContact CD1-CG 4.06Å; L1427-Q1442 HydrophobicContact CD2-CG 4.41Å
1428N81.9Confident84.3Confident107 Ų10758.3 Ų58.357%0.57231%0.308SS*.Hα-helixtrans-99.4-19.5-176.3-64.3-16.9000114.7Q1424 K1425 F1426Q1424-N1428 WeakPolarHBondContact O-CB 3.42Å; Q1424-N1428 VanDerWaalsContact O-CG 3.24Å; Q1424-N1428 PolarHBondContact O-N 3.43Å; Q1424-N1428 PolarHBondContact O-ND2 2.85Å; K1425-N1428 PolarHBondContact O-N 2.91Å; F1426-N1428 PolarHBondContact O-N 2.91Å
1429R84.2Confident84.4Confident157 Ų15757.4 Ų57.459%0.59230%0.301SS*.Hα-helixtrans-113.9-32.4178.3-88.9-175.8170.6164.3-2.9115.3D1400 W1404 K1425 F1426D1400-R1429 IonicContact OD1-CZ 3.62Å; D1400-R1429 IonicContact OD1-NH1 2.83Å; D1400-R1429 PolarHBondContact OD1-NH1 2.67Å; D1400-R1429 IonicContact OD1-NH2 2.66Å; D1400-R1429 PolarHBondContact OD1-NH2 3.33Å; W1404-R1429 HydrophobicContact CH2-CB 4.03Å; W1404-R1429 HydrophobicContact CZ2-CB 3.94Å; K1425-R1429 WeakPolarHBondContact O-CB 3.24Å; K1425-R1429 PolarHBondContact O-N 2.88Å; F1426-R1429 PolarHBondContact O-N 2.8Å
1430A79Confident84.5Confident48 Ų4856.6 Ų56.640%0.39730%0.296SS..THydrogen-bonded Turntrans-94.5-31.5-173.500000112.8W1404 F1426W1404-A1430 HydrophobicContact CD2-CB 4.47Å; W1404-A1430 HydrophobicContact CZ2-CB 4.01Å; F1426-A1430 HydrophobicContact CD2-CB 3.38Å; F1426-A1430 HydrophobicContact CE2-CB 3.48Å; F1426-A1430 VanDerWaalsContact CE2-CB 3.48Å; F1426-A1430 HydrophobicContact CG-CB 4.25Å; F1426-A1430 HydrophobicContact CZ-CB 4.4Å; F1426-A1430 VanDerWaalsContact O-CB 3.28Å; F1426-A1430 WeakPolarHBondContact O-CB 3.16Å; F1426-A1430 PolarHBondContact O-N 2.94Å
1431I83.1Confident84.5Confident21 Ų2158.2 Ų58.211%0.10829%0.294CS..SBendtrans-104.6137.3178.7-62.4179.5000107.9F1426 L1427 D1435 Q1438 Y1441F1426-I1431 HydrophobicContact CD1-CD1 4.34Å; F1426-I1431 HydrophobicContact CE1-CD1 3.62Å; F1426-I1431 HydrophobicContact CE1-CG1 4.22Å; F1426-I1431 HydrophobicContact CZ-CD1 4Å; F1426-I1431 HydrophobicContact CZ-CG1 4.21Å; L1427-I1431 HydrophobicContact CD1-CD1 4.26Å; I1431-D1435 HydrophobicContact CG2-CB 3.49Å; I1431-D1435 VanDerWaalsContact CG2-CB 3.49Å; I1431-Q1438 HydrophobicContact CG2-CB 4.19Å; I1431-Q1438 HydrophobicContact CG2-CG 4.32Å; I1431-Y1441 HydrophobicContact CD1-CD2 4.14Å; I1431-Y1441 HydrophobicContact CD1-CE2 3.72Å
1432K79.9Confident84.4Confident166 Ų16656.4 Ų56.472%0.72228%0.284SS*.  trans-66.3143.7175.4-64.9173.6-177.4170.50109N1434 D1435K1432-N1434 PolarHBondContact O-N 2.7Å; K1432-D1435 HydrophobicContact CB-CB 4.35Å; K1432-D1435 WeakPolarHBondContact O-CB 3.45Å; K1432-D1435 PolarHBondContact O-N 2.85Å
1433A73.7Confident84.1Confident42 Ų4256.5 Ų56.535%0.34728%0.284SS..THydrogen-bonded Turntrans-52.3-34.4175.900000112.5D1435 Q1438 W1460A1433-D1435 VanDerWaalsContact C-N 3.3Å; A1433-D1435 PolarHBondContact O-N 2.77Å; A1433-Q1438 PolarHBondContact O-OE1 3.04Å; A1433-W1460 WeakPolarHBondContact O-CH2 3.4Å; A1433-W1460 WeakPolarHBondContact O-CZ3 3.35Å
1434N77.6Confident83.7Confident58 Ų5859.7 Ų59.731%0.3129%0.291SS..THydrogen-bonded Turntrans-92.413-173.8-38.9-40.2000112.7K1432 Q1459K1432-N1434 PolarHBondContact O-N 2.7Å; N1434-Q1459 WeakPolarHBondContact CB-O 2.97Å; N1434-Q1459 PolarHBondContact ND2-O 2.85Å; N1434-Q1459 VanDerWaalsContact OD1-C 3.22Å; N1434-Q1459 WeakPolarHBondContact OD1-CB 3.17Å; N1434-Q1459 PolarHBondContact OD1-O 2.66Å
1435D86.1Confident83.3Confident47 Ų4758.1 Ų58.125%0.25129%0.29SS..  trans-82.9131.4179.3-165.9-48.5000110.1I1431 K1432 A1433 L1437 Q1438I1431-D1435 HydrophobicContact CG2-CB 3.49Å; I1431-D1435 VanDerWaalsContact CG2-CB 3.49Å; K1432-D1435 HydrophobicContact CB-CB 4.35Å; K1432-D1435 WeakPolarHBondContact O-CB 3.45Å; K1432-D1435 PolarHBondContact O-N 2.85Å; A1433-D1435 VanDerWaalsContact C-N 3.3Å; A1433-D1435 PolarHBondContact O-N 2.77Å; D1435-L1437 PolarHBondContact O-N 3.38Å; D1435-L1437 VanDerWaalsContact O-N 3.15Å; D1435-L1437 VanDerWaalsContact OD1-CB 3.23Å; D1435-L1437 WeakPolarHBondContact OD1-CB 3.49Å; D1435-L1437 WeakPolarHBondContact OD1-CG 3.3Å; D1435-L1437 PolarHBondContact OD1-N 2.69Å; D1435-Q1438 VanDerWaalsContact O-CB 3.31Å; D1435-Q1438 WeakPolarHBondContact O-CB 3.43Å; D1435-Q1438 PolarHBondContact O-N 3.38Å
1436P88Confident82.4Confident34 Ų3458.2 Ų58.222%0.22130%0.297CS..Hα-helixtrans-55.2-29.1173.9-26.336.3000113.7Q1438 T1439 L1440 S1465 I1469P1436-Q1438 PolarHBondContact O-N 3.34Å; P1436-T1439 WeakPolarHBondContact O-CB 3.35Å; P1436-T1439 PolarHBondContact O-N 2.92Å; P1436-L1440 PolarHBondContact O-N 2.93Å; P1436-S1465 VanDerWaalsContact CG-CB 3.46Å; P1436-I1469 HydrophobicContact CB-CD1 3.46Å; P1436-I1469 VanDerWaalsContact CB-CD1 3.46Å; P1436-I1469 WeakPolarHBondContact O-CD1 3.48Å
1437L88.6Confident81.5Confident77 Ų7761.8 Ų61.840%0.40331%0.314SS..Hα-helixtrans-60.5-33.6171.8-65.7173.6000112.2D1435 T1439 L1440 Y1441D1435-L1437 PolarHBondContact O-N 3.38Å; D1435-L1437 VanDerWaalsContact O-N 3.15Å; D1435-L1437 VanDerWaalsContact OD1-CB 3.23Å; D1435-L1437 WeakPolarHBondContact OD1-CB 3.49Å; D1435-L1437 WeakPolarHBondContact OD1-CG 3.3Å; D1435-L1437 PolarHBondContact OD1-N 2.69Å; L1437-T1439 VanDerWaalsContact C-N 3.34Å; L1437-T1439 PolarHBondContact O-N 3.07Å; L1437-L1440 WeakPolarHBondContact O-CB 3.41Å; L1437-L1440 PolarHBondContact O-N 2.77Å; L1437-Y1441 HydrophobicContact CB-CE2 4.23Å; L1437-Y1441 WeakPolarHBondContact O-CD2 3.42Å; L1437-Y1441 PolarHBondContact O-N 2.86Å
1438Q86.7Confident81.2Confident12 Ų1265.3 Ų65.36%0.05634%0.336CS..Hα-helixtrans-64.2-41.2176.4-137.1-159.150.500111.1L1427 I1431 A1433 D1435 P1436 L1440 Y1441 Q1442L1427-Q1438 HydrophobicContact CD1-CB 4.38Å; L1427-Q1438 HydrophobicContact CD1-CG 3.47Å; L1427-Q1438 VanDerWaalsContact CD1-CG 3.47Å; L1427-Q1438 HydrophobicContact CD2-CG 4.36Å; L1427-Q1438 HydrophobicContact CG-CG 3.67Å; L1427-Q1438 PolarHBondContact O-NE2 3.21Å; I1431-Q1438 HydrophobicContact CG2-CB 4.19Å; I1431-Q1438 HydrophobicContact CG2-CG 4.32Å; A1433-Q1438 PolarHBondContact O-OE1 3.04Å; D1435-Q1438 VanDerWaalsContact O-CB 3.31Å; D1435-Q1438 WeakPolarHBondContact O-CB 3.43Å; D1435-Q1438 PolarHBondContact O-N 3.38Å; P1436-Q1438 PolarHBondContact O-N 3.34Å; Q1438-L1440 PolarHBondContact O-N 3.26Å; Q1438-Y1441 PolarHBondContact O-N 2.85Å; Q1438-Q1442 WeakPolarHBondContact O-CB 3.38Å; Q1438-Q1442 VanDerWaalsContact O-CG 3.24Å; Q1438-Q1442 WeakPolarHBondContact O-CG 3.22Å; Q1438-Q1442 PolarHBondContact O-N 3.46Å
1439T88.6Confident80.9Confident0 Ų060.2 Ų60.20%031%0.309CS..Hα-helixtrans-60.5-41.8171.7-600000112.2P1436 L1437 M1443 P1449 H1466 I1469 L1470P1436-T1439 WeakPolarHBondContact O-CB 3.35Å; P1436-T1439 PolarHBondContact O-N 2.92Å; L1437-T1439 VanDerWaalsContact C-N 3.34Å; L1437-T1439 PolarHBondContact O-N 3.07Å; T1439-M1443 VanDerWaalsContact O-CB 3.25Å; T1439-M1443 WeakPolarHBondContact O-CB 3.41Å; T1439-M1443 PolarHBondContact O-N 2.91Å; T1439-P1449 HydrophobicContact CG2-CB 4.03Å; T1439-P1449 HydrophobicContact CG2-CG 4.41Å; T1439-H1466 PolarHBondContact OG1-ND1 3.46Å; T1439-I1469 HydrophobicContact CG2-CG2 4.28Å; T1439-L1470 HydrophobicContact CG2-CD2 3.81Å; T1439-L1470 HydrophobicContact CG2-CG 4.05Å
1440L88.4Confident80.7Confident34 Ų3453.6 Ų53.618%0.17829%0.288CS..Hα-helixtrans-59.4-51.1176.9179.262.8000111.2P1436 L1437 Q1438 M1443 K1444 I1469 N1473P1436-L1440 PolarHBondContact O-N 2.93Å; L1437-L1440 WeakPolarHBondContact O-CB 3.41Å; L1437-L1440 PolarHBondContact O-N 2.77Å; Q1438-L1440 PolarHBondContact O-N 3.26Å; L1440-M1443 HydrophobicContact CD1-CE 4.11Å; L1440-M1443 PolarHBondContact O-N 2.94Å; L1440-K1444 HydrophobicContact CD1-CG 4.08Å; L1440-K1444 WeakPolarHBondContact O-CG 3.48Å; L1440-K1444 PolarHBondContact O-N 3.33Å; L1440-I1469 HydrophobicContact CB-CD1 4.39Å; L1440-I1469 HydrophobicContact CB-CG2 3.84Å; L1440-I1469 HydrophobicContact CD1-CG2 4.09Å; L1440-N1473 HydrophobicContact CD1-CB 3.67Å
1441Y86.3Confident80.6Confident115 Ų11551.3 Ų51.345%0.45127%0.269SS..Hα-helixtrans-65.8-42-178.7-66.3-58.3000112.5L1427 I1431 L1437 Q1438 K1444 S1445L1427-Y1441 HydrophobicContact CD1-CD2 3.58Å; L1427-Y1441 HydrophobicContact CD1-CG 4.06Å; I1431-Y1441 HydrophobicContact CD1-CD2 4.14Å; I1431-Y1441 HydrophobicContact CD1-CE2 3.72Å; L1437-Y1441 HydrophobicContact CB-CE2 4.23Å; L1437-Y1441 WeakPolarHBondContact O-CD2 3.42Å; L1437-Y1441 PolarHBondContact O-N 2.86Å; Q1438-Y1441 PolarHBondContact O-N 2.85Å; Y1441-K1444 PolarHBondContact O-N 2.99Å; Y1441-S1445 WeakPolarHBondContact O-CB 2.98Å; Y1441-S1445 PolarHBondContact O-N 2.81Å
1442Q84Confident80.3Confident27 Ų2750.6 Ų50.613%0.12627%0.265CS..Hα-helixtrans-60.1-49.4175.2-71.5165.411.400111.2L1427 Q1438 K1444 S1445 C1446 H1447 P1449L1427-Q1442 HydrophobicContact CD2-CG 4.41Å; Q1438-Q1442 WeakPolarHBondContact O-CB 3.38Å; Q1438-Q1442 VanDerWaalsContact O-CG 3.24Å; Q1438-Q1442 WeakPolarHBondContact O-CG 3.22Å; Q1438-Q1442 PolarHBondContact O-N 3.46Å; Q1442-K1444 PolarHBondContact O-N 2.86Å; Q1442-S1445 CarbonylContact O-C 3.59Å; Q1442-S1445 PolarHBondContact O-N 3.35Å; Q1442-S1445 VanDerWaalsContact O-N 3.11Å; Q1442-S1445 PolarHBondContact O-OG 3.05Å; Q1442-C1446 PolarHBondContact O-N 2.88Å; Q1442-H1447 CarbonylContact C-O 3.26Å; Q1442-H1447 PolarHBondContact O-N 2.74Å; Q1442-P1449 HydrophobicContact CB-CB 3.87Å; Q1442-P1449 VanDerWaalsContact OE1-CA 3.26Å
1443M81.8Confident80Confident1 Ų146.1 Ų46.11%0.00526%0.255CS..Hα-helixtrans-60.7-45.4176.6177.1-179.852.900112.7T1439 L1440 S1445 C1446 I1469 L1470 N1473T1439-M1443 VanDerWaalsContact O-CB 3.25Å; T1439-M1443 WeakPolarHBondContact O-CB 3.41Å; T1439-M1443 PolarHBondContact O-N 2.91Å; L1440-M1443 HydrophobicContact CD1-CE 4.11Å; L1440-M1443 PolarHBondContact O-N 2.94Å; M1443-S1445 PolarHBondContact O-N 2.8Å; M1443-C1446 PolarHBondContact O-N 2.64Å; M1443-I1469 HydrophobicContact CE-CG2 3.84Å; M1443-L1470 HydrophobicContact CB-CD2 4.47Å; M1443-L1470 HydrophobicContact CG-CD2 4.47Å; M1443-L1470 HydrophobicContact SD-CD2 3.78Å; M1443-N1473 HydrophobicContact CE-CB 3.71Å; M1443-N1473 WeakPolarHBondContact CE-O 3.32Å
1444K78.5Confident79.4Confident105 Ų10548.3 Ų48.346%0.45726%0.258SS..Hα-helixtrans-65.9-21.6177.4-65.8-53.8-172.4-169.90112.7L1440 Y1441 Q1442 C1446 N1473 K1474L1440-K1444 HydrophobicContact CD1-CG 4.08Å; L1440-K1444 WeakPolarHBondContact O-CG 3.48Å; L1440-K1444 PolarHBondContact O-N 3.33Å; Y1441-K1444 PolarHBondContact O-N 2.99Å; Q1442-K1444 PolarHBondContact O-N 2.86Å; K1444-C1446 VanDerWaalsContact C-N 3.34Å; K1444-N1473 PolarHBondContact NZ-O 2.93Å; K1444-K1474 PolarHBondContact NZ-O 2.83Å; K1444-K1474 VanDerWaalsContact NZ-O 3.11Å
1445S75.3Confident78.5Confident52 Ų5245.6 Ų45.636%0.36424%0.244SC..THydrogen-bonded Turntrans-85.2-0.9171.382.50000114.5Y1441 Q1442 M1443 H1447Y1441-S1445 WeakPolarHBondContact O-CB 2.98Å; Y1441-S1445 PolarHBondContact O-N 2.81Å; Q1442-S1445 CarbonylContact O-C 3.59Å; Q1442-S1445 PolarHBondContact O-N 3.35Å; Q1442-S1445 VanDerWaalsContact O-N 3.11Å; Q1442-S1445 PolarHBondContact O-OG 3.05Å; M1443-S1445 PolarHBondContact O-N 2.8Å; S1445-H1447 PolarHBondContact O-N 3.33Å; S1445-H1447 PolarHBondContact O-ND1 2.97Å; S1445-H1447 VanDerWaalsContact O-ND1 3.12Å; S1445-H1447 PolarHBondContact OG-ND1 2.65Å
1446C67.4Low76.7Confident57 Ų5751.5 Ų51.539%0.38526%0.262SS..THydrogen-bonded Turntrans58.923.9-172.9-56.30000115.1Q1442 M1443 K1444Q1442-C1446 PolarHBondContact O-N 2.88Å; M1443-C1446 PolarHBondContact O-N 2.64Å; K1444-C1446 VanDerWaalsContact C-N 3.34Å
1447H70.7Confident75Confident125 Ų12553.6 Ų53.658%0.57927%0.272SS*.SBendtrans-96125.9171.4-69.880.6000109.4Q1442 S1445 P1449 Y1480Q1442-H1447 CarbonylContact C-O 3.26Å; Q1442-H1447 PolarHBondContact O-N 2.74Å; S1445-H1447 PolarHBondContact O-N 3.33Å; S1445-H1447 PolarHBondContact O-ND1 2.97Å; S1445-H1447 VanDerWaalsContact O-ND1 3.12Å; S1445-H1447 PolarHBondContact OG-ND1 2.65Å; H1447-P1449 VanDerWaalsContact O-CD 3.3Å; H1447-P1449 WeakPolarHBondContact O-CD 3.42Å; H1447-Y1480 PolarHBondContact O-OH 3.15Å
1448T75.1Confident73.5Confident87 Ų8754.9 Ų54.953%0.53428%0.275SS..  trans-44.2107.7-179.6-55.90000110.3A1450 V1452 Y1480T1448-A1450 PolarHBondContact O-N 3.03Å; T1448-V1452 HydrophobicContact CG2-CG2 3.53Å; T1448-Y1480 WeakPolarHBondContact CA-OH 3.47Å; T1448-Y1480 PolarHBondContact N-OH 3.21Å; T1448-Y1480 VanDerWaalsContact N-OH 3.12Å
1449P76.7Confident72.5Confident0 Ų059 Ų590%030%0.295CS..  trans-69.4130.9-165.822-28.8000109.2T1439 Q1442 H1447 C1451 V1452 L1470 Y1480T1439-P1449 HydrophobicContact CG2-CB 4.03Å; T1439-P1449 HydrophobicContact CG2-CG 4.41Å; Q1442-P1449 HydrophobicContact CB-CB 3.87Å; Q1442-P1449 VanDerWaalsContact OE1-CA 3.26Å; H1447-P1449 VanDerWaalsContact O-CD 3.3Å; H1447-P1449 WeakPolarHBondContact O-CD 3.42Å; P1449-C1451 PolarHBondContact O-N 2.8Å; P1449-V1452 HydrophobicContact CG-CG1 4.11Å; P1449-V1452 WeakPolarHBondContact O-CG2 3.22Å; P1449-V1452 PolarHBondContact O-N 3.45Å; P1449-L1470 HydrophobicContact CG-CD2 3.78Å; P1449-Y1480 WeakPolarHBondContact CD-OH 3.49Å
1450A78.3Confident71.6Confident18 Ų1859.2 Ų59.215%0.14930%0.296CS..THydrogen-bonded Turntrans-61-25.3-161.400000113.4T1448 V1452 S1453 Q1454 W1460T1448-A1450 PolarHBondContact O-N 3.03Å; A1450-V1452 PolarHBondContact O-N 3.34Å; A1450-V1452 VanDerWaalsContact O-N 3.16Å; A1450-S1453 PolarHBondContact O-N 2.09Å; A1450-S1453 VanDerWaalsContact O-N 3.1Å; A1450-S1453 PolarHBondContact O-OG 2.92Å; A1450-Q1454 WeakPolarHBondContact O-CB 3.17Å; A1450-Q1454 PolarHBondContact O-N 2.82Å; A1450-W1460 HydrophobicContact CB-CH2 3.89Å; A1450-W1460 HydrophobicContact CB-CZ2 3.34Å
1451C78.2Confident71.1Confident0 Ų058.3 Ų58.30%030%0.295CS..Hα-helixtrans-46.2-41165.361.30000113.9P1449 S1453 L1455 W1460 H1466P1449-C1451 PolarHBondContact O-N 2.8Å; C1451-S1453 VanDerWaalsContact C-N 3.26Å; C1451-S1453 PolarHBondContact O-N 3.44Å; C1451-L1455 HydrophobicContact CB-CD1 3.72Å; C1451-L1455 VanDerWaalsContact O-CB 3.27Å; C1451-L1455 WeakPolarHBondContact O-CB 3.36Å; C1451-L1455 WeakPolarHBondContact O-CD1 3.49Å; C1451-L1455 PolarHBondContact O-N 2.75Å; C1451-W1460 HydrophobicContact CB-CD2 4.04Å; C1451-W1460 HydrophobicContact CB-CE3 3.48Å; C1451-W1460 VanDerWaalsContact CB-CE3 3.48Å; C1451-W1460 HydrophobicContact CB-CH2 4.36Å; C1451-W1460 HydrophobicContact CB-CZ3 3.65Å; C1451-H1466 HydrophobicContact CB-CB 4.39Å
1452V77Confident71.1Confident5 Ų553.5 Ų53.53%0.0328%0.277CS..Hα-helixtrans-80.6-2.8-174.5-40.80000114.1T1448 P1449 A1450 L1470 S1484 A1487 L1488 T1491T1448-V1452 HydrophobicContact CG2-CG2 3.53Å; P1449-V1452 HydrophobicContact CG-CG1 4.11Å; P1449-V1452 WeakPolarHBondContact O-CG2 3.22Å; P1449-V1452 PolarHBondContact O-N 3.45Å; A1450-V1452 PolarHBondContact O-N 3.34Å; A1450-V1452 VanDerWaalsContact O-N 3.16Å; V1452-L1470 HydrophobicContact CG1-CD1 3.92Å; V1452-S1484 WeakPolarHBondContact CG1-O 3.47Å; V1452-A1487 HydrophobicContact CB-CB 3.87Å; V1452-A1487 HydrophobicContact CG2-CB 3.77Å; V1452-L1488 HydrophobicContact CB-CB 4.37Å; V1452-L1488 HydrophobicContact CG1-CB 4.07Å; V1452-T1491 PolarHBondContact O-OG1 2.78Å
1453S72.5Confident71.4Confident73 Ų7353.1 Ų53.151%0.5127%0.274SS..Hα-helixtrans-126.1-26.5177.954.80000113.8A1450 C1451A1450-S1453 PolarHBondContact O-N 2.09Å; A1450-S1453 VanDerWaalsContact O-N 3.1Å; A1450-S1453 PolarHBondContact O-OG 2.92Å; C1451-S1453 VanDerWaalsContact C-N 3.26Å; C1451-S1453 PolarHBondContact O-N 3.44Å
1454Q61.8Low72Confident87 Ų8753.7 Ų53.741%0.40728%0.276SS..Hα-helixtrans-112.14-175.8-65.9178.6-18.400113.9A1450 R1456 D1457A1450-Q1454 WeakPolarHBondContact O-CB 3.17Å; A1450-Q1454 PolarHBondContact O-N 2.82Å; Q1454-R1456 PolarHBondContact O-N 2.79Å; Q1454-D1457 WeakPolarHBondContact O-CB 3.17Å; Q1454-D1457 PolarHBondContact O-N 3.15Å
1455L57.8Low72.7Confident2 Ų249.6 Ų49.61%0.0126%0.261CS..THydrogen-bonded Turntrans-61.4-2.5171.5-121.489.1000114.5C1451 W1460 W1463 L1488 T1491 L1492 R1495C1451-L1455 HydrophobicContact CB-CD1 3.72Å; C1451-L1455 VanDerWaalsContact O-CB 3.27Å; C1451-L1455 WeakPolarHBondContact O-CB 3.36Å; C1451-L1455 WeakPolarHBondContact O-CD1 3.49Å; C1451-L1455 PolarHBondContact O-N 2.75Å; L1455-W1460 HydrophobicContact CD1-CB 3.53Å; L1455-W1460 HydrophobicContact CD1-CG 4.1Å; L1455-W1460 HydrophobicContact CG-CB 3.98Å; L1455-W1463 HydrophobicContact CD2-CB 3.81Å; L1455-L1488 HydrophobicContact CD1-CD1 4.04Å; L1455-L1488 HydrophobicContact CD2-CD1 3.95Å; L1455-L1488 HydrophobicContact CG-CD1 4.48Å; L1455-T1491 HydrophobicContact CB-CG2 3.51Å; L1455-L1492 HydrophobicContact CD2-CD2 4.17Å; L1455-R1495 WeakPolarHBondContact O-CD 3.39Å; L1455-R1495 PolarHBondContact O-NH1 3.49Å
1456R49.2Very low73.5Confident171 Ų17147.2 Ų47.265%0.64524%0.244SC*.THydrogen-bonded Turntrans-64.6-30.3165-78.3-176.6164.8-137.22.9112.2Q1454 T1491Q1454-R1456 PolarHBondContact O-N 2.79Å; R1456-T1491 HydrophobicContact CG-CG2 4.26Å
1457D52.5Low74.8Confident78 Ų7844.5 Ų44.542%0.41723%0.226SC..SBendtrans-86.2131.7176.6-50.7-27.3000108.5Q1454 Q1459 W1460Q1454-D1457 WeakPolarHBondContact O-CB 3.17Å; Q1454-D1457 PolarHBondContact O-N 3.15Å; D1457-Q1459 HydrophobicContact CB-CG 3.78Å; D1457-Q1459 PolarHBondContact O-N 2.9Å; D1457-Q1459 VanDerWaalsContact O-N 3.1Å; D1457-Q1459 PolarHBondContact OD2-NE2 3.36Å; D1457-W1460 PolarHBondContact O-N 3.25Å
1458E57.1Low76Confident103 Ų10339 Ų3948%0.48120%0.201SC..G310 helixtrans-67.7-13.1-174-76.8146.6159.800114.2F1312 W1460 G1461F1312-E1458 HydrophobicContact CB-CG 4.3Å; F1312-E1458 HydrophobicContact CD1-CG 4.37Å; F1312-E1458 WeakPolarHBondContact CD1-OE1 3.35Å; E1458-W1460 VanDerWaalsContact C-N 3.29Å; E1458-W1460 PolarHBondContact O-N 3.43Å; E1458-G1461 PolarHBondContact O-N 2.92Å
1459Q64.8Low76.8Confident99 Ų9936 Ų3646%0.46318%0.182SC..G310 helixtrans-48.2-47.6172.262-169.4-27.600112.5N1434 D1457 G1461N1434-Q1459 WeakPolarHBondContact CB-O 2.97Å; N1434-Q1459 PolarHBondContact ND2-O 2.85Å; N1434-Q1459 VanDerWaalsContact OD1-C 3.22Å; N1434-Q1459 WeakPolarHBondContact OD1-CB 3.17Å; N1434-Q1459 PolarHBondContact OD1-O 2.66Å; D1457-Q1459 HydrophobicContact CB-CG 3.78Å; D1457-Q1459 PolarHBondContact O-N 2.9Å; D1457-Q1459 VanDerWaalsContact O-N 3.1Å; D1457-Q1459 PolarHBondContact OD2-NE2 3.36Å; Q1459-G1461 PolarHBondContact O-N 3.17Å
1460W69.4Low77.6Confident4 Ų436.1 Ų36.12%0.01518%0.182CC..G310 helixtrans-65.9-0.6-170.6-82.796.2000116.3A1433 A1450 C1451 L1455 D1457 E1458 H1466A1433-W1460 WeakPolarHBondContact O-CH2 3.4Å; A1433-W1460 WeakPolarHBondContact O-CZ3 3.35Å; A1450-W1460 HydrophobicContact CB-CH2 3.89Å; A1450-W1460 HydrophobicContact CB-CZ2 3.34Å; C1451-W1460 HydrophobicContact CB-CD2 4.04Å; C1451-W1460 HydrophobicContact CB-CE3 3.48Å; C1451-W1460 VanDerWaalsContact CB-CE3 3.48Å; C1451-W1460 HydrophobicContact CB-CH2 4.36Å; C1451-W1460 HydrophobicContact CB-CZ3 3.65Å; L1455-W1460 HydrophobicContact CD1-CB 3.53Å; L1455-W1460 HydrophobicContact CD1-CG 4.1Å; L1455-W1460 HydrophobicContact CG-CB 3.98Å; D1457-W1460 PolarHBondContact O-N 3.25Å; E1458-W1460 VanDerWaalsContact C-N 3.29Å; E1458-W1460 PolarHBondContact O-N 3.43Å; W1460-H1466 AromaticContact CE3-CE1 3.66Å; W1460-H1466 AromaticContact CE3-NE2 3.89Å; W1460-H1466 AromaticContact CZ3-CE1 3.74Å; W1460-H1466 PolarHBondContact O-NE2 3.02Å
1461G77.8Confident78.3Confident16 Ų1635.4 Ų35.417%0.16518%0.176CC..  trans63-137.9164.900000115.3E1458 Q1459 W1463E1458-G1461 PolarHBondContact O-N 2.92Å; Q1459-G1461 PolarHBondContact O-N 3.17Å; G1461-W1463 PolarHBondContact O-N 3.29Å
1462D86.9Confident79.1Confident13 Ų1337.8 Ų37.87%0.0719%0.191CC..  trans-83.8108.8-173.2-166.1-12.1000113Q1302 Y1307 R1464 S1465 H1466Q1302-D1462 WeakPolarHBondContact CG-OD2 3.29Å; Q1302-D1462 VanDerWaalsContact NE2-CG 3.31Å; Q1302-D1462 PolarHBondContact NE2-OD2 3.5Å; Y1307-D1462 HydrophobicContact CD1-CB 4.4Å; Y1307-D1462 HydrophobicContact CD2-CB 4.1Å; Y1307-D1462 HydrophobicContact CG-CB 3.83Å; D1462-R1464 VanDerWaalsContact CG-NH1 3.34Å; D1462-R1464 PolarHBondContact O-N 3.16Å; D1462-R1464 VanDerWaalsContact O-N 3.08Å; D1462-R1464 WeakPolarHBondContact OD1-CB 3.45Å; D1462-R1464 VanDerWaalsContact OD1-CG 3.26Å; D1462-R1464 WeakPolarHBondContact OD1-CG 3.2Å; D1462-R1464 PolarHBondContact OD1-N 3.43Å; D1462-R1464 IonicContact OD1-NH1 2.69Å; D1462-R1464 PolarHBondContact OD1-NH1 3.47Å; D1462-R1464 IonicContact OD2-CZ 3.39Å; D1462-R1464 IonicContact OD2-NH1 3.2Å; D1462-R1464 PolarHBondContact OD2-NH1 3.06Å; D1462-S1465 PolarHBondContact O-N 3.08Å; D1462-H1466 PolarHBondContact O-CD2 3.24Å; D1462-H1466 VanDerWaalsContact O-CD2 3.28Å
1463W91.6Very high79.7Confident20 Ų2040.5 Ų40.58%0.07621%0.205CC..Hα-helixtrans-53.9-25.917670.1-83.5000114.6L1274 L1298 L1455 G1461 H1466 L1467 L1492 A1500 F1503L1274-W1463 HydrophobicContact CD2-CH2 3.47Å; L1274-W1463 VanDerWaalsContact CD2-CH2 3.47Å; L1274-W1463 HydrophobicContact CD2-CZ2 3.81Å; L1298-W1463 HydrophobicContact CD2-CH2 4.2Å; L1298-W1463 HydrophobicContact CD2-CZ3 4.1Å; L1455-W1463 HydrophobicContact CD2-CB 3.81Å; G1461-W1463 PolarHBondContact O-N 3.29Å; W1463-H1466 PolarHBondContact O-N 3.24Å; W1463-L1467 HydrophobicContact CE3-CB 4.34Å; W1463-L1467 HydrophobicContact CE3-CD2 4.15Å; W1463-L1467 HydrophobicContact CZ3-CD2 3.65Å; W1463-L1467 WeakPolarHBondContact O-CB 3.3Å; W1463-L1467 PolarHBondContact O-N 3.49Å; W1463-L1492 HydrophobicContact CB-CD1 4.3Å; W1463-L1492 HydrophobicContact CB-CD2 3.85Å; W1463-L1492 HydrophobicContact CD2-CD1 3.86Å; W1463-L1492 HydrophobicContact CD2-CD2 4.05Å; W1463-L1492 HydrophobicContact CE3-CD1 3.66Å; W1463-L1492 HydrophobicContact CG-CD1 4.14Å; W1463-L1492 HydrophobicContact CG-CD2 3.63Å; W1463-L1492 HydrophobicContact CZ3-CD1 4.27Å; W1463-A1500 HydrophobicContact CD2-CB 4.26Å; W1463-A1500 HydrophobicContact CE3-CB 4.5Å; W1463-A1500 HydrophobicContact CH2-CB 3.64Å; W1463-A1500 HydrophobicContact CZ2-CB 3.35Å; W1463-A1500 HydrophobicContact CZ3-CB 4.21Å; W1463-F1503 HydrophobicContact CH2-CD1 4.4Å; W1463-F1503 HydrophobicContact CZ3-CD1 4.31Å
1464R94.1Very high80.4Confident13 Ų1340.9 Ų40.95%0.04920%0.197CC..Hα-helixtrans-62.8-46.1-176.9-64.7175.2-168.9113.6-26.4112.3A1270 L1298 N1301 Y1305 D1462 L1467 S1468A1270-R1464 VanDerWaalsContact CB-NH2 3.27Å; L1298-R1464 HydrophobicContact CB-CB 4.43Å; L1298-R1464 HydrophobicContact CD2-CB 4.12Å; L1298-R1464 HydrophobicContact CD2-CG 4.14Å; L1298-R1464 WeakPolarHBondContact O-CD 3.49Å; N1301-R1464 PolarHBondContact O-NH2 3.31Å; N1301-R1464 PolarHBondContact OD1-NE 3.4Å; N1301-R1464 PolarHBondContact OD1-NH2 2.98Å; Y1305-R1464 PolarHBondContact O-NH1 3.2Å; Y1305-R1464 PolarHBondContact O-NH2 3.45Å; D1462-R1464 VanDerWaalsContact CG-NH1 3.34Å; D1462-R1464 PolarHBondContact O-N 3.16Å; D1462-R1464 VanDerWaalsContact O-N 3.08Å; D1462-R1464 WeakPolarHBondContact OD1-CB 3.45Å; D1462-R1464 VanDerWaalsContact OD1-CG 3.26Å; D1462-R1464 WeakPolarHBondContact OD1-CG 3.2Å; D1462-R1464 PolarHBondContact OD1-N 3.43Å; D1462-R1464 IonicContact OD1-NH1 2.69Å; D1462-R1464 PolarHBondContact OD1-NH1 3.47Å; D1462-R1464 IonicContact OD2-CZ 3.39Å; D1462-R1464 IonicContact OD2-NH1 3.2Å; D1462-R1464 PolarHBondContact OD2-NH1 3.06Å; R1464-L1467 PolarHBondContact O-N 3.35Å; R1464-S1468 WeakPolarHBondContact O-CB 3.3Å; R1464-S1468 PolarHBondContact O-N 3.15Å
1465S92.3Very high81.5Confident18 Ų1837.9 Ų37.913%0.12619%0.186CC..Hα-helixtrans-66.3-41.4-178.8-38.70000110.8Q1302 P1436 D1462 S1468 I1469Q1302-S1465 PolarHBondContact NE2-OG 3.44Å; Q1302-S1465 PolarHBondContact OE1-OG 3.11Å; P1436-S1465 VanDerWaalsContact CG-CB 3.46Å; D1462-S1465 PolarHBondContact O-N 3.08Å; S1465-S1468 PolarHBondContact O-N 3.48Å; S1465-I1469 PolarHBondContact O-N 3.14Å
1466H92.4Very high82.6Confident3 Ų348.7 Ų48.71%0.01423%0.227CC..Hα-helixtrans-62.8-45174.3-64-71.4000111.6T1439 C1451 W1460 D1462 W1463 I1469 L1470T1439-H1466 PolarHBondContact OG1-ND1 3.46Å; C1451-H1466 HydrophobicContact CB-CB 4.39Å; W1460-H1466 AromaticContact CE3-CE1 3.66Å; W1460-H1466 AromaticContact CE3-NE2 3.89Å; W1460-H1466 AromaticContact CZ3-CE1 3.74Å; W1460-H1466 PolarHBondContact O-NE2 3.02Å; D1462-H1466 PolarHBondContact O-CD2 3.24Å; D1462-H1466 VanDerWaalsContact O-CD2 3.28Å; W1463-H1466 PolarHBondContact O-N 3.24Å; H1466-I1469 PolarHBondContact O-N 3.23Å; H1466-L1470 WeakPolarHBondContact O-CG 3.41Å; H1466-L1470 PolarHBondContact O-N 2.62Å
1467L94.8Very high84.3Confident0 Ų044.6 Ų44.60%022%0.215CC..Hα-helixtrans-65-42.2176.4-178.862.6000112.2L1298 W1463 R1464 I1469 L1470 V1471 V1485 L1488 F1503L1298-L1467 HydrophobicContact CD1-CB 4.03Å; L1298-L1467 HydrophobicContact CD1-CD2 3.8Å; L1298-L1467 HydrophobicContact CD1-CG 3.75Å; L1298-L1467 HydrophobicContact CD2-CD2 4.15Å; W1463-L1467 HydrophobicContact CE3-CB 4.34Å; W1463-L1467 HydrophobicContact CE3-CD2 4.15Å; W1463-L1467 HydrophobicContact CZ3-CD2 3.65Å; W1463-L1467 WeakPolarHBondContact O-CB 3.3Å; W1463-L1467 PolarHBondContact O-N 3.49Å; R1464-L1467 PolarHBondContact O-N 3.35Å; L1467-I1469 PolarHBondContact O-N 3.23Å; L1467-L1470 PolarHBondContact O-N 3.37Å; L1467-V1471 HydrophobicContact CD1-CG2 3.57Å; L1467-V1471 HydrophobicContact CG-CG2 3.93Å; L1467-V1471 WeakPolarHBondContact O-CB 3.28Å; L1467-V1471 VanDerWaalsContact O-CG2 3.28Å; L1467-V1471 WeakPolarHBondContact O-CG2 3.37Å; L1467-V1471 PolarHBondContact O-N 3.13Å; L1467-V1485 HydrophobicContact CD1-CB 4.33Å; L1467-V1485 HydrophobicContact CD1-CG1 3.72Å; L1467-V1485 HydrophobicContact CD1-CG2 3.87Å; L1467-L1488 HydrophobicContact CB-CD2 3.85Å; L1467-L1488 HydrophobicContact CD1-CD2 4.16Å; L1467-F1503 HydrophobicContact CD2-CD1 3.69Å; L1467-F1503 HydrophobicContact CD2-CE1 3.68Å
1468S95.4Very high85.9Confident8 Ų844 Ų446%0.05622%0.215CC..Hα-helixtrans-55.6-42.7177.8-177.10000110.5G1295 R1464 S1465 V1471 T1472G1295-S1468 WeakPolarHBondContact CA-OG 3.45Å; G1295-S1468 PolarHBondContact O-OG 2.93Å; G1295-S1468 VanDerWaalsContact O-OG 3.07Å; R1464-S1468 WeakPolarHBondContact O-CB 3.3Å; R1464-S1468 PolarHBondContact O-N 3.15Å; S1465-S1468 PolarHBondContact O-N 3.48Å; S1468-V1471 PolarHBondContact O-N 2.89Å; S1468-T1472 WeakPolarHBondContact O-CB 3.2Å; S1468-T1472 VanDerWaalsContact O-CG2 3.26Å; S1468-T1472 WeakPolarHBondContact O-CG2 3.26Å; S1468-T1472 PolarHBondContact O-N 3.03Å; S1468-T1472 PolarHBondContact O-OG1 3.15Å
1469I93.5Very high87.5Confident26 Ų2644.1 Ų44.113%0.13322%0.216CC..Hα-helixtrans-65.2-48.2171.9-74.9-179.8000112.5P1436 T1439 L1440 M1443 S1465 H1466 L1467 V1471 N1473P1436-I1469 HydrophobicContact CB-CD1 3.46Å; P1436-I1469 VanDerWaalsContact CB-CD1 3.46Å; P1436-I1469 WeakPolarHBondContact O-CD1 3.48Å; T1439-I1469 HydrophobicContact CG2-CG2 4.28Å; L1440-I1469 HydrophobicContact CB-CD1 4.39Å; L1440-I1469 HydrophobicContact CB-CG2 3.84Å; L1440-I1469 HydrophobicContact CD1-CG2 4.09Å; M1443-I1469 HydrophobicContact CE-CG2 3.84Å; S1465-I1469 PolarHBondContact O-N 3.14Å; H1466-I1469 PolarHBondContact O-N 3.23Å; L1467-I1469 PolarHBondContact O-N 3.23Å; I1469-V1471 PolarHBondContact O-N 3.44Å; I1469-N1473 VanDerWaalsContact O-CB 3.28Å; I1469-N1473 WeakPolarHBondContact O-CB 3.18Å; I1469-N1473 PolarHBondContact O-N 2.92Å
1470L92.8Very high88.6Confident2 Ų241 Ų411%0.0120%0.2CC..Hα-helixtrans-58.3-32179.2-68.2175000113.3T1439 M1443 P1449 V1452 H1466 L1467 V1485 L1488T1439-L1470 HydrophobicContact CG2-CD2 3.81Å; T1439-L1470 HydrophobicContact CG2-CG 4.05Å; M1443-L1470 HydrophobicContact CB-CD2 4.47Å; M1443-L1470 HydrophobicContact CG-CD2 4.47Å; M1443-L1470 HydrophobicContact SD-CD2 3.78Å; P1449-L1470 HydrophobicContact CG-CD2 3.78Å; V1452-L1470 HydrophobicContact CG1-CD1 3.92Å; H1466-L1470 WeakPolarHBondContact O-CG 3.41Å; H1466-L1470 PolarHBondContact O-N 2.62Å; L1467-L1470 PolarHBondContact O-N 3.37Å; L1470-V1485 HydrophobicContact CB-CG2 4.03Å; L1470-L1488 HydrophobicContact CD1-CD2 4.19Å
1471V93.2Very high89.5Confident3 Ų341.1 Ų41.12%0.01820%0.201CC..Hα-helixtrans-87.4-47.9-176.8176.40000111.7D1291 V1294 L1467 S1468 I1469 K1474 V1485 V1507D1291-V1471 HydrophobicContact CB-CG1 3.96Å; V1294-V1471 HydrophobicContact CB-CG1 4.18Å; V1294-V1471 HydrophobicContact CG1-CG1 4.03Å; L1467-V1471 HydrophobicContact CD1-CG2 3.57Å; L1467-V1471 HydrophobicContact CG-CG2 3.93Å; L1467-V1471 WeakPolarHBondContact O-CB 3.28Å; L1467-V1471 VanDerWaalsContact O-CG2 3.28Å; L1467-V1471 WeakPolarHBondContact O-CG2 3.37Å; L1467-V1471 PolarHBondContact O-N 3.13Å; S1468-V1471 PolarHBondContact O-N 2.89Å; I1469-V1471 PolarHBondContact O-N 3.44Å; V1471-K1474 VanDerWaalsContact O-CE 3.24Å; V1471-K1474 WeakPolarHBondContact O-CE 3.41Å; V1471-K1474 WeakPolarHBondContact O-CG 3.25Å; V1471-V1485 HydrophobicContact CG2-CG2 4.31Å; V1471-V1507 HydrophobicContact CB-CG1 4.43Å; V1471-V1507 HydrophobicContact CG1-CG1 3.93Å; V1471-V1507 HydrophobicContact CG2-CG1 3.55Å
1472T94Very high90.2Very high50 Ų5043.7 Ų43.731%0.30721%0.206SC..Hα-helixtrans-72.8-38.3-178.9580000112.7D1291 S1468 K1474D1291-T1472 WeakPolarHBondContact O-CG2 3.35Å; S1468-T1472 WeakPolarHBondContact O-CB 3.2Å; S1468-T1472 VanDerWaalsContact O-CG2 3.26Å; S1468-T1472 WeakPolarHBondContact O-CG2 3.26Å; S1468-T1472 PolarHBondContact O-N 3.03Å; S1468-T1472 PolarHBondContact O-OG1 3.15Å; T1472-K1474 PolarHBondContact O-N 2.79Å
1473N91.1Very high90.4Very high62 Ų6246.6 Ų46.633%0.33223%0.227SC..THydrogen-bonded Turntrans-10245.9-168.1-87.8-94.3000112.8L1440 M1443 K1444 I1469L1440-N1473 HydrophobicContact CD1-CB 3.67Å; M1443-N1473 HydrophobicContact CE-CB 3.71Å; M1443-N1473 WeakPolarHBondContact CE-O 3.32Å; K1444-N1473 PolarHBondContact NZ-O 2.93Å; I1469-N1473 VanDerWaalsContact O-CB 3.28Å; I1469-N1473 WeakPolarHBondContact O-CB 3.18Å; I1469-N1473 PolarHBondContact O-N 2.92Å
1474K87Confident90.4Very high80 Ų8045.8 Ų45.835%0.34823%0.225SC..  trans-46.7146-177.9-66.5-174.1177.7171.70114.2D1291 K1444 V1471 T1472 D1481D1291-K1474 WeakPolarHBondContact OD1-CE 3.31Å; D1291-K1474 IonicContact OD1-NZ 2.7Å; D1291-K1474 PolarHBondContact OD1-NZ 2.66Å; D1291-K1474 WeakPolarHBondContact OD2-CE 3.48Å; D1291-K1474 IonicContact OD2-NZ 3.61Å; D1291-K1474 PolarHBondContact OD2-NZ 2.77Å; K1444-K1474 PolarHBondContact NZ-O 2.83Å; K1444-K1474 VanDerWaalsContact NZ-O 3.11Å; V1471-K1474 VanDerWaalsContact O-CE 3.24Å; V1471-K1474 WeakPolarHBondContact O-CE 3.41Å; V1471-K1474 WeakPolarHBondContact O-CG 3.25Å; T1472-K1474 PolarHBondContact O-N 2.79Å; K1474-D1481 WeakPolarHBondContact CA-OD2 3.31Å; K1474-D1481 WeakPolarHBondContact CB-OD2 3.23Å
1475S84.4Confident90.4Very high25 Ų2545.5 Ų45.518%0.17522%0.224CC..  trans-87.2-167.6-179.782.60000110.6Q1477 D1481S1475-Q1477 PolarHBondContact OG-N 2.93Å; S1475-Q1477 PolarHBondContact OG-O 3.42Å; S1475-D1481 WeakPolarHBondContact CB-OD1 3.3Å; S1475-D1481 PolarHBondContact N-OD1 3.35Å; S1475-D1481 PolarHBondContact N-OD2 3.44Å; S1475-D1481 PolarHBondContact OG-OD1 2.9Å; S1475-D1481 PolarHBondContact OG-OD2 3.34Å
1476R81.4Confident90.5Very high229 Ų22945.1 Ų45.186%0.86422%0.221SC*.SBendtrans-81.7-3.3169.7-61.6-174.6-178.2-162.20.1112.7R1925R1476-R1925 VanDerWaalsContact O-CZ 3.27Å; R1476-R1925 PolarHBondContact O-NH1 3.32Å
1477Q85.1Confident90.5Very high84 Ų8446.4 Ų46.439%0.39323%0.232SC..  trans-124.582.9-175.8-64.5-17511.100110.6S1475 E1479 Y1480 D1481S1475-Q1477 PolarHBondContact OG-N 2.93Å; S1475-Q1477 PolarHBondContact OG-O 3.42Å; Q1477-E1479 PolarHBondContact O-N 2.73Å; Q1477-E1479 VanDerWaalsContact O-N 3.11Å; Q1477-Y1480 WeakPolarHBondContact O-CB 3.34Å; Q1477-Y1480 PolarHBondContact O-N 2.77Å; Q1477-D1481 PolarHBondContact O-N 2.72Å
1478P85.6Confident90.4Very high66 Ų6646.4 Ų46.443%0.42923%0.232SC..Hα-helixtrans-61.8-23-178.226.1-35.6000113.5Y1480 R1482P1478-Y1480 VanDerWaalsContact C-N 3.33Å; P1478-R1482 WeakPolarHBondContact O-CB 3.35Å; P1478-R1482 PolarHBondContact O-N 2.88Å
1479E89.3Confident90.2Very high106 Ų10646 Ų4650%0.49523%0.229SC..Hα-helixtrans-68-35.6174.8-49.580.1-173.600111.6Q1477 S1483 R1925Q1477-E1479 PolarHBondContact O-N 2.73Å; Q1477-E1479 VanDerWaalsContact O-N 3.11Å; E1479-S1483 WeakPolarHBondContact O-CB 3.39Å; E1479-S1483 PolarHBondContact O-N 3.1Å; E1479-S1483 VanDerWaalsContact O-N 3.1Å; E1479-S1483 PolarHBondContact O-OG 2.85Å; E1479-R1925 IonicContact OE1-NH2 2.73Å; E1479-R1925 PolarHBondContact OE1-NH2 3.17Å; E1479-R1925 IonicContact OE2-CZ 3.77Å; E1479-R1925 IonicContact OE2-NH1 2.61Å; E1479-R1925 IonicContact OE2-NH2 3.71Å; E1479-R1925 PolarHBondContact OE2-NH2 2.96Å
1480Y88.2Confident90.1Very high32 Ų3246 Ų4613%0.12523%0.23CC..Hα-helixtrans-79.4-38.3177163.7-90000111.6H1447 T1448 P1449 Q1477 P1478 S1483 S1484H1447-Y1480 PolarHBondContact O-OH 3.15Å; T1448-Y1480 WeakPolarHBondContact CA-OH 3.47Å; T1448-Y1480 PolarHBondContact N-OH 3.21Å; T1448-Y1480 VanDerWaalsContact N-OH 3.12Å; P1449-Y1480 WeakPolarHBondContact CD-OH 3.49Å; Q1477-Y1480 WeakPolarHBondContact O-CB 3.34Å; Q1477-Y1480 PolarHBondContact O-N 2.77Å; P1478-Y1480 VanDerWaalsContact C-N 3.33Å; Y1480-S1483 PolarHBondContact O-N 3.39Å; Y1480-S1484 PolarHBondContact O-N 2.94Å; Y1480-S1484 PolarHBondContact O-OG 3.42Å
1481D89.5Confident89.8Confident8 Ų846.4 Ų46.44%0.04323%0.232CC..Hα-helixtrans-59.3-49.8173.4-57.2-14.3000110.1K1474 S1475 Q1477 S1483 S1484 V1485K1474-D1481 WeakPolarHBondContact CA-OD2 3.31Å; K1474-D1481 WeakPolarHBondContact CB-OD2 3.23Å; S1475-D1481 WeakPolarHBondContact CB-OD1 3.3Å; S1475-D1481 PolarHBondContact N-OD1 3.35Å; S1475-D1481 PolarHBondContact N-OD2 3.44Å; S1475-D1481 PolarHBondContact OG-OD1 2.9Å; S1475-D1481 PolarHBondContact OG-OD2 3.34Å; Q1477-D1481 PolarHBondContact O-N 2.72Å; D1481-S1483 VanDerWaalsContact C-N 3.35Å; D1481-S1483 PolarHBondContact O-N 3.37Å; D1481-S1484 WeakPolarHBondContact O-CB 3.45Å; D1481-S1484 PolarHBondContact O-N 2.85Å; D1481-S1484 VanDerWaalsContact O-N 3.16Å; D1481-V1485 PolarHBondContact O-N 2.86Å
1482R92.4Very high89.6Confident69 Ų6946.5 Ų46.526%0.2623%0.233SC..Hα-helixtrans-55.8-47.9172.7-179.3-176.7173.5130.3-15.6111.6P1478 S1484 V1485 V1486 A1508 Q1509 E1510P1478-R1482 WeakPolarHBondContact O-CB 3.35Å; P1478-R1482 PolarHBondContact O-N 2.88Å; R1482-S1484 PolarHBondContact O-N 3.14Å; R1482-V1485 PolarHBondContact O-N 3.31Å; R1482-V1486 HydrophobicContact CG-CG2 4.37Å; R1482-V1486 WeakPolarHBondContact O-CG2 3.39Å; R1482-V1486 PolarHBondContact O-N 2.67Å; R1482-A1508 WeakPolarHBondContact CD-O 2.91Å; R1482-A1508 HydrophobicContact CG-CB 4.02Å; R1482-A1508 PolarHBondContact NE-O 2.9Å; R1482-A1508 PolarHBondContact NH1-O 3.1Å; R1482-Q1509 PolarHBondContact NH1-O 3.39Å; R1482-Q1509 PolarHBondContact NH2-O 2.98Å; R1482-E1510 IonicContact CZ-OE1 2.86Å; R1482-E1510 IonicContact NE-OE1 3.42Å; R1482-E1510 PolarHBondContact NE-OE1 3.44Å; R1482-E1510 IonicContact NH2-OE1 3.59Å; R1482-E1510 PolarHBondContact NH2-OE1 2.67Å
1483S91.4Very high89.3Confident74 Ų7444.6 Ų44.652%0.51722%0.22SC..Hα-helixtrans-60.3-35.2179.9-61.50000112.4E1479 Y1480 D1481 A1487E1479-S1483 WeakPolarHBondContact O-CB 3.39Å; E1479-S1483 PolarHBondContact O-N 3.1Å; E1479-S1483 VanDerWaalsContact O-N 3.1Å; E1479-S1483 PolarHBondContact O-OG 2.85Å; Y1480-S1483 PolarHBondContact O-N 3.39Å; D1481-S1483 VanDerWaalsContact C-N 3.35Å; D1481-S1483 PolarHBondContact O-N 3.37Å; S1483-A1487 WeakPolarHBondContact O-CB 3.36Å; S1483-A1487 PolarHBondContact O-N 3.1Å
1484S91.8Very high88.9Confident3 Ų344.6 Ų44.62%0.02122%0.218CC..Hα-helixtrans-69.3-44.8176.5-56.50000111.5V1452 Y1480 D1481 R1482 V1486 A1487 L1488V1452-S1484 WeakPolarHBondContact CG1-O 3.47Å; Y1480-S1484 PolarHBondContact O-N 2.94Å; Y1480-S1484 PolarHBondContact O-OG 3.42Å; D1481-S1484 WeakPolarHBondContact O-CB 3.45Å; D1481-S1484 PolarHBondContact O-N 2.85Å; D1481-S1484 VanDerWaalsContact O-N 3.16Å; R1482-S1484 PolarHBondContact O-N 3.14Å; S1484-V1486 VanDerWaalsContact C-N 3.34Å; S1484-V1486 PolarHBondContact O-N 2.81Å; S1484-A1487 PolarHBondContact O-N 3.04Å; S1484-L1488 PolarHBondContact O-N 3.39Å
1485V94.1Very high88.4Confident7 Ų742.5 Ų42.54%0.04221%0.208CC..Hα-helixtrans-63-39.4174.8175.60000111.7L1467 L1470 V1471 D1481 R1482 L1488 G1489 C1504 A1508L1467-V1485 HydrophobicContact CD1-CB 4.33Å; L1467-V1485 HydrophobicContact CD1-CG1 3.72Å; L1467-V1485 HydrophobicContact CD1-CG2 3.87Å; L1470-V1485 HydrophobicContact CB-CG2 4.03Å; V1471-V1485 HydrophobicContact CG2-CG2 4.31Å; D1481-V1485 PolarHBondContact O-N 2.86Å; R1482-V1485 PolarHBondContact O-N 3.31Å; V1485-L1488 PolarHBondContact O-N 2.87Å; V1485-G1489 PolarHBondContact O-N 3.07Å; V1485-C1504 HydrophobicContact CG1-CB 4.03Å; V1485-C1504 WeakPolarHBondContact CG1-O 3.25Å; V1485-A1508 HydrophobicContact CB-CB 4.39Å; V1485-A1508 HydrophobicContact CG1-CB 4.01Å
1486V94Very high88.1Confident11 Ų1141.4 Ų41.47%0.06720%0.2CC..Hα-helixtrans-65-41.7174.7173.20000111.5R1482 S1484 L1488 G1489 D1490 Y1505 A1508 E1510R1482-V1486 HydrophobicContact CG-CG2 4.37Å; R1482-V1486 WeakPolarHBondContact O-CG2 3.39Å; R1482-V1486 PolarHBondContact O-N 2.67Å; S1484-V1486 VanDerWaalsContact C-N 3.34Å; S1484-V1486 PolarHBondContact O-N 2.81Å; V1486-L1488 VanDerWaalsContact C-N 3.34Å; V1486-L1488 PolarHBondContact O-N 2.95Å; V1486-G1489 PolarHBondContact O-N 2.59Å; V1486-D1490 PolarHBondContact O-N 3.11Å; V1486-Y1505 HydrophobicContact CG1-CE1 4.22Å; V1486-A1508 HydrophobicContact CG2-CB 3.63Å; V1486-E1510 HydrophobicContact CG2-CG 3.76Å
1487A91.6Very high88.3Confident29 Ų2931.5 Ų31.524%0.2417%0.165CC..Hα-helixtrans-65.9-34176.600000113V1452 S1483 S1484 D1490 T1491V1452-A1487 HydrophobicContact CB-CB 3.87Å; V1452-A1487 HydrophobicContact CG2-CB 3.77Å; S1483-A1487 WeakPolarHBondContact O-CB 3.36Å; S1483-A1487 PolarHBondContact O-N 3.1Å; S1484-A1487 PolarHBondContact O-N 3.04Å; A1487-D1490 PolarHBondContact O-N 2.82Å; A1487-T1491 PolarHBondContact O-N 3.41Å; A1487-T1491 VanDerWaalsContact O-N 3.11Å; A1487-T1491 PolarHBondContact O-OG1 3.3Å
1488L92.3Very high88.6Confident0 Ų027.6 Ų27.60%015%0.147CC..Hα-helixtrans-64-46.2170.1-170.664.9000110.9V1452 L1455 L1467 L1470 S1484 V1485 V1486 D1490 T1491 L1492V1452-L1488 HydrophobicContact CB-CB 4.37Å; V1452-L1488 HydrophobicContact CG1-CB 4.07Å; L1455-L1488 HydrophobicContact CD1-CD1 4.04Å; L1455-L1488 HydrophobicContact CD2-CD1 3.95Å; L1455-L1488 HydrophobicContact CG-CD1 4.48Å; L1467-L1488 HydrophobicContact CB-CD2 3.85Å; L1467-L1488 HydrophobicContact CD1-CD2 4.16Å; L1470-L1488 HydrophobicContact CD1-CD2 4.19Å; S1484-L1488 PolarHBondContact O-N 3.39Å; V1485-L1488 PolarHBondContact O-N 2.87Å; V1486-L1488 VanDerWaalsContact C-N 3.34Å; V1486-L1488 PolarHBondContact O-N 2.95Å; L1488-D1490 PolarHBondContact O-N 3.11Å; L1488-T1491 PolarHBondContact O-N 3.15Å; L1488-T1491 VanDerWaalsContact O-N 3.14Å; L1488-L1492 HydrophobicContact CG-CD1 4.01Å; L1488-L1492 WeakPolarHBondContact O-CG 3.4Å; L1488-L1492 PolarHBondContact O-N 3.11Å
1489G92.4Very high88.9Confident0 Ų024.6 Ų24.60%013%0.127CC..Hα-helixtrans-57.7-44.2174.800000113V1485 V1486 T1491 L1492 F1493 A1501V1485-G1489 PolarHBondContact O-N 3.07Å; V1486-G1489 PolarHBondContact O-N 2.59Å; G1489-T1491 VanDerWaalsContact C-N 3.28Å; G1489-T1491 PolarHBondContact O-N 3.11Å; G1489-L1492 PolarHBondContact O-N 3.28Å; G1489-F1493 WeakPolarHBondContact O-CB 2.97Å; G1489-F1493 PolarHBondContact O-N 2.97Å; G1489-A1501 VanDerWaalsContact O-CB 3.29Å; G1489-A1501 WeakPolarHBondContact O-CB 3.23Å
1490D90.2Very high89.1Confident26 Ų2619.6 Ų19.614%0.13910%0.103CC..Hα-helixtrans-58.5-39.7174.7-76.212.5000112.3V1486 A1487 L1488 Q1494 Y1505 L1525 R1531V1486-D1490 PolarHBondContact O-N 3.11Å; A1487-D1490 PolarHBondContact O-N 2.82Å; L1488-D1490 PolarHBondContact O-N 3.11Å; D1490-Q1494 VanDerWaalsContact O-CG 3.27Å; D1490-Q1494 WeakPolarHBondContact O-CG 3.33Å; D1490-Q1494 PolarHBondContact O-N 3.43Å; D1490-Q1494 PolarHBondContact O-NE2 2.92Å; D1490-Y1505 WeakPolarHBondContact OD1-CE1 3.33Å; D1490-Y1505 PolarHBondContact OD1-OH 2.88Å; D1490-L1525 HydrophobicContact CB-CD1 3.91Å; D1490-R1531 IonicContact OD1-CZ 3.33Å; D1490-R1531 IonicContact OD1-NE 2.72Å; D1490-R1531 IonicContact OD1-NH1 2.64Å; D1490-R1531 PolarHBondContact OD1-NH1 3.37Å; D1490-R1531 IonicContact OD1-NH2 3.21Å; D1490-R1531 IonicContact OD2-CZ 2.85Å; D1490-R1531 IonicContact OD2-NH1 2.95Å; D1490-R1531 PolarHBondContact OD2-NH1 3.16Å; D1490-R1531 IonicContact OD2-NH2 3.14Å; D1490-R1531 PolarHBondContact OD2-NH2 3Å
1491T87.9Confident89.4Confident10 Ų1018 Ų186%0.06110%0.097CC..Hα-helixtrans-74.8-38.5-178.8-54.60000111.4V1452 L1455 R1456 A1487 L1488 G1489 Q1494 R1495V1452-T1491 PolarHBondContact O-OG1 2.78Å; L1455-T1491 HydrophobicContact CB-CG2 3.51Å; R1456-T1491 HydrophobicContact CG-CG2 4.26Å; A1487-T1491 PolarHBondContact O-N 3.41Å; A1487-T1491 VanDerWaalsContact O-N 3.11Å; A1487-T1491 PolarHBondContact O-OG1 3.3Å; L1488-T1491 PolarHBondContact O-N 3.15Å; L1488-T1491 VanDerWaalsContact O-N 3.14Å; G1489-T1491 VanDerWaalsContact C-N 3.28Å; G1489-T1491 PolarHBondContact O-N 3.11Å; T1491-Q1494 PolarHBondContact O-N 3.33Å; T1491-R1495 PolarHBondContact O-N 3.19Å
1492L88.4Confident89.7Confident5 Ų517.7 Ų17.73%0.02610%0.095CC..Hα-helixtrans-63.3-40.9172.5-71.1161.5000112L1455 W1463 L1488 G1489 Q1494 R1495 G1496 D1497 A1500 A1501L1455-L1492 HydrophobicContact CD2-CD2 4.17Å; W1463-L1492 HydrophobicContact CB-CD1 4.3Å; W1463-L1492 HydrophobicContact CB-CD2 3.85Å; W1463-L1492 HydrophobicContact CD2-CD1 3.86Å; W1463-L1492 HydrophobicContact CD2-CD2 4.05Å; W1463-L1492 HydrophobicContact CE3-CD1 3.66Å; W1463-L1492 HydrophobicContact CG-CD1 4.14Å; W1463-L1492 HydrophobicContact CG-CD2 3.63Å; W1463-L1492 HydrophobicContact CZ3-CD1 4.27Å; L1488-L1492 HydrophobicContact CG-CD1 4.01Å; L1488-L1492 WeakPolarHBondContact O-CG 3.4Å; L1488-L1492 PolarHBondContact O-N 3.11Å; G1489-L1492 PolarHBondContact O-N 3.28Å; L1492-Q1494 VanDerWaalsContact C-N 3.27Å; L1492-Q1494 PolarHBondContact O-N 2.9Å; L1492-R1495 PolarHBondContact O-N 2.84Å; L1492-G1496 PolarHBondContact O-N 3.36Å; L1492-G1496 VanDerWaalsContact O-N 3.1Å; L1492-D1497 PolarHBondContact O-N 3.48Å; L1492-A1500 HydrophobicContact CB-CB 4.33Å; L1492-A1500 HydrophobicContact CD1-CB 4.02Å; L1492-A1500 HydrophobicContact CD2-CB 4.2Å; L1492-A1500 HydrophobicContact CG-CB 4.41Å; L1492-A1501 HydrophobicContact CB-CB 4.32Å
1493F87.7Confident89.9Confident10 Ų1014.5 Ų14.54%0.0448%0.083CC..Hα-helixtrans-60.4-38.4174.5-162.7-83.4000111.5L1254 G1489 G1496 A1501 H1502 L1525 Y1540L1254-F1493 HydrophobicContact CD2-CE1 4.5Å; G1489-F1493 WeakPolarHBondContact O-CB 2.97Å; G1489-F1493 PolarHBondContact O-N 2.97Å; F1493-G1496 PolarHBondContact O-N 2.84Å; F1493-G1496 VanDerWaalsContact O-N 3.14Å; F1493-A1501 HydrophobicContact CB-CB 3.71Å; F1493-A1501 HydrophobicContact CD2-CB 3.84Å; F1493-A1501 HydrophobicContact CG-CB 4.29Å; F1493-H1502 AromaticContact CE2-NE2 3.97Å; F1493-L1525 HydrophobicContact CB-CD1 4.18Å; F1493-L1525 HydrophobicContact CD1-CD1 4.13Å; F1493-L1525 HydrophobicContact CD1-CD2 4.45Å; F1493-L1525 HydrophobicContact CD1-CG 4.24Å; F1493-L1525 HydrophobicContact CG-CD1 4.38Å; F1493-Y1540 AromaticContact CE1-CD2 3.68Å; F1493-Y1540 HydrophobicContact CE1-CD2 3.68Å; F1493-Y1540 AromaticContact CE1-CE2 3.51Å; F1493-Y1540 HydrophobicContact CE1-CE2 3.51Å; F1493-Y1540 AromaticContact CZ-CD2 3.74Å; F1493-Y1540 HydrophobicContact CZ-CD2 3.74Å; F1493-Y1540 AromaticContact CZ-CE2 3.79Å; F1493-Y1540 HydrophobicContact CZ-CE2 3.79Å
1494Q81.6Confident90.1Very high62 Ų6211 Ų1129%0.296%0.058SC..Hα-helixtrans-71.8-33176.4-71.1164.869.300113.3D1490 T1491 L1492 G1496 L1525D1490-Q1494 VanDerWaalsContact O-CG 3.27Å; D1490-Q1494 WeakPolarHBondContact O-CG 3.33Å; D1490-Q1494 PolarHBondContact O-N 3.43Å; D1490-Q1494 PolarHBondContact O-NE2 2.92Å; T1491-Q1494 PolarHBondContact O-N 3.33Å; L1492-Q1494 VanDerWaalsContact C-N 3.27Å; L1492-Q1494 PolarHBondContact O-N 2.9Å; Q1494-G1496 PolarHBondContact O-N 3.28Å; Q1494-L1525 HydrophobicContact CG-CD1 4.24Å
1495R77.8Confident90.3Very high37 Ų3710.8 Ų10.814%0.146%0.057CC..Hα-helixtrans-68.2-13.9167.8-70.9-176.979.7126.2-6.1112.9Q1258 F1312 L1455 T1491 L1492Q1258-R1495 PolarHBondContact NE2-O 3.2Å; F1312-R1495 VanDerWaalsContact CZ-NH2 3.3Å; L1455-R1495 WeakPolarHBondContact O-CD 3.39Å; L1455-R1495 PolarHBondContact O-NH1 3.49Å; T1491-R1495 PolarHBondContact O-N 3.19Å; L1492-R1495 PolarHBondContact O-N 2.84Å
1496G77.3Confident90.4Very high1 Ų111 Ų111%0.016%0.058CC..THydrogen-bonded Turntrans99.45.4176.500000115Y1268 L1492 F1493 Q1494 I1498Y1268-G1496 VanDerWaalsContact CE1-O 3.32Å; Y1268-G1496 WeakPolarHBondContact CE1-O 3.38Å; L1492-G1496 PolarHBondContact O-N 3.36Å; L1492-G1496 VanDerWaalsContact O-N 3.1Å; F1493-G1496 PolarHBondContact O-N 2.84Å; F1493-G1496 VanDerWaalsContact O-N 3.14Å; Q1494-G1496 PolarHBondContact O-N 3.28Å; G1496-I1498 PolarHBondContact O-N 3.07Å
1497D86.5Confident90.4Very high21 Ų2111.5 Ų11.511%0.1126%0.061CC..  trans-9294.6176.2-166.8-23.9000111.2Y1268 S1271 L1492 Y1499 A1500 A1501Y1268-D1497 HydrophobicContact CD1-CB 4.34Å; Y1268-D1497 HydrophobicContact CE1-CB 4.36Å; S1271-D1497 WeakPolarHBondContact CB-OD2 3.42Å; S1271-D1497 VanDerWaalsContact OG-CG 3.25Å; S1271-D1497 PolarHBondContact OG-OD1 2.72Å; S1271-D1497 VanDerWaalsContact OG-OD1 3.09Å; S1271-D1497 PolarHBondContact OG-OD2 3.35Å; L1492-D1497 PolarHBondContact O-N 3.48Å; D1497-Y1499 VanDerWaalsContact C-N 3.33Å; D1497-Y1499 PolarHBondContact OD1-N 3.07Å; D1497-A1500 HydrophobicContact CB-CB 3.96Å; D1497-A1500 PolarHBondContact OD1-N 3.07Å; D1497-A1500 WeakPolarHBondContact OD2-CB 3.36Å; D1497-A1501 VanDerWaalsContact O-CB 3.27Å; D1497-A1501 WeakPolarHBondContact O-CB 3.48Å; D1497-A1501 PolarHBondContact O-N 3.44Å; D1497-A1501 VanDerWaalsContact O-N 3.08Å
1498I89.8Confident90.6Very high3 Ų310.3 Ų10.32%0.0155%0.052CC..Hα-helixtrans-63.2-39.2176-54.2169.4000111.1C1251 L1254 G1496 A1501 H1502C1251-I1498 VanDerWaalsContact O-CD1 3.24Å; C1251-I1498 WeakPolarHBondContact O-CD1 3.34Å; L1254-I1498 HydrophobicContact CD1-CD1 4.21Å; L1254-I1498 HydrophobicContact CD1-CG1 3.65Å; L1254-I1498 HydrophobicContact CG-CD1 4.03Å; L1254-I1498 HydrophobicContact CG-CG1 4.04Å; G1496-I1498 PolarHBondContact O-N 3.07Å; I1498-A1501 PolarHBondContact O-N 3.06Å; I1498-H1502 VanDerWaalsContact O-CB 3.29Å; I1498-H1502 WeakPolarHBondContact O-CB 3.28Å; I1498-H1502 PolarHBondContact O-CD2 3.11Å; I1498-H1502 VanDerWaalsContact O-CD2 3.29Å; I1498-H1502 VanDerWaalsContact O-CG 3.26Å; I1498-H1502 PolarHBondContact O-N 2.9Å
1499Y93.7Very high90.6Very high3 Ų313.8 Ų13.81%0.0127%0.068CC..Hα-helixtrans-72.3-43.6-173.3-62.9-77.4000110.8P1247 C1251 S1271 H1272 M1275 D1497 H1502 F1503 M1554P1247-Y1499 HydrophobicContact CB-CE2 3.94Å; C1251-Y1499 WeakPolarHBondContact CB-OH 3.12Å; S1271-Y1499 WeakPolarHBondContact O-CB 3.44Å; H1272-Y1499 HydrophobicContact CB-CD2 4.26Å; H1272-Y1499 HydrophobicContact CB-CE2 4.3Å; H1272-Y1499 HydrophobicContact CB-CG 4.39Å; H1272-Y1499 AromaticContact CD2-CE1 3.58Å; H1272-Y1499 AromaticContact CD2-CZ 3.52Å; M1275-Y1499 HydrophobicContact CB-CD1 4.4Å; M1275-Y1499 VanDerWaalsContact CE-O 3.23Å; M1275-Y1499 WeakPolarHBondContact CE-O 3.4Å; M1275-Y1499 HydrophobicContact CG-CD1 4.45Å; D1497-Y1499 VanDerWaalsContact C-N 3.33Å; D1497-Y1499 PolarHBondContact OD1-N 3.07Å; Y1499-H1502 PolarHBondContact O-N 2.65Å; Y1499-F1503 WeakPolarHBondContact O-CB 3.13Å; Y1499-F1503 PolarHBondContact O-N 3.42Å; Y1499-M1554 HydrophobicContact CD1-CE 4.5Å; Y1499-M1554 HydrophobicContact CE1-CE 4.06Å
1500A92.9Very high90.7Very high0 Ų015.9 Ų15.90%08%0.078CC..Hα-helixtrans-62.9-44172.800000111.8W1463 L1492 D1497 H1502 F1503 C1504W1463-A1500 HydrophobicContact CD2-CB 4.26Å; W1463-A1500 HydrophobicContact CE3-CB 4.5Å; W1463-A1500 HydrophobicContact CH2-CB 3.64Å; W1463-A1500 HydrophobicContact CZ2-CB 3.35Å; W1463-A1500 HydrophobicContact CZ3-CB 4.21Å; L1492-A1500 HydrophobicContact CB-CB 4.33Å; L1492-A1500 HydrophobicContact CD1-CB 4.02Å; L1492-A1500 HydrophobicContact CD2-CB 4.2Å; L1492-A1500 HydrophobicContact CG-CB 4.41Å; D1497-A1500 HydrophobicContact CB-CB 3.96Å; D1497-A1500 PolarHBondContact OD1-N 3.07Å; D1497-A1500 WeakPolarHBondContact OD2-CB 3.36Å; A1500-H1502 PolarHBondContact O-N 2.99Å; A1500-F1503 WeakPolarHBondContact O-CB 3.47Å; A1500-F1503 PolarHBondContact O-N 3.36Å; A1500-C1504 PolarHBondContact O-N 3.08Å
1501A93.4Very high90.7Very high0 Ų020.5 Ų20.50%010%0.098CC..Hα-helixtrans-60.5-46.9175.600000112.6G1489 L1492 F1493 D1497 I1498 F1503 C1504 Y1505G1489-A1501 VanDerWaalsContact O-CB 3.29Å; G1489-A1501 WeakPolarHBondContact O-CB 3.23Å; L1492-A1501 HydrophobicContact CB-CB 4.32Å; F1493-A1501 HydrophobicContact CB-CB 3.71Å; F1493-A1501 HydrophobicContact CD2-CB 3.84Å; F1493-A1501 HydrophobicContact CG-CB 4.29Å; D1497-A1501 VanDerWaalsContact O-CB 3.27Å; D1497-A1501 WeakPolarHBondContact O-CB 3.48Å; D1497-A1501 PolarHBondContact O-N 3.44Å; D1497-A1501 VanDerWaalsContact O-N 3.08Å; I1498-A1501 PolarHBondContact O-N 3.06Å; A1501-F1503 VanDerWaalsContact C-N 3.3Å; A1501-F1503 PolarHBondContact O-N 2.97Å; A1501-C1504 WeakPolarHBondContact O-CB 3.3Å; A1501-C1504 PolarHBondContact O-N 3.39Å; A1501-Y1505 HydrophobicContact CB-CE2 4.28Å; A1501-Y1505 VanDerWaalsContact O-CD2 3.29Å; A1501-Y1505 WeakPolarHBondContact O-CD2 3.12Å; A1501-Y1505 VanDerWaalsContact O-CG 3.22Å; A1501-Y1505 PolarHBondContact O-N 3.34Å
1502H95.6Very high91Very high1 Ų121.2 Ų21.21%0.00510%0.101CC..Hα-helixtrans-68.9-29.1178.7-71.8-159.5000111.9M1275 F1493 I1498 Y1499 A1500 Y1505 L1506 L1532 L1534 L1535 S1537M1275-H1502 HydrophobicContact CE-CB 3.8Å; F1493-H1502 AromaticContact CE2-NE2 3.97Å; I1498-H1502 VanDerWaalsContact O-CB 3.29Å; I1498-H1502 WeakPolarHBondContact O-CB 3.28Å; I1498-H1502 PolarHBondContact O-CD2 3.11Å; I1498-H1502 VanDerWaalsContact O-CD2 3.29Å; I1498-H1502 VanDerWaalsContact O-CG 3.26Å; I1498-H1502 PolarHBondContact O-N 2.9Å; Y1499-H1502 PolarHBondContact O-N 2.65Å; A1500-H1502 PolarHBondContact O-N 2.99Å; H1502-Y1505 AromaticContact CD2-CD2 3.96Å; H1502-Y1505 PolarHBondContact O-N 3.01Å; H1502-L1506 WeakPolarHBondContact O-CB 3.44Å; H1502-L1506 WeakPolarHBondContact O-CG 3.33Å; H1502-L1506 PolarHBondContact O-N 3.01Å; H1502-L1532 HydrophobicContact CB-CD1 4.02Å; H1502-L1534 PolarHBondContact CE1-O 3.43Å; H1502-L1534 PolarHBondContact ND1-O 2.76Å; H1502-L1535 HydrophobicContact CB-CD2 4.46Å; H1502-S1537 PolarHBondContact CE1-O 2.94Å
1503F97Very high91.1Very high1 Ų121.7 Ų21.70%0.00411%0.107CC..Hα-helixtrans-62.9-50.2170.7-174.6-79.8000110.4L1274 M1275 L1278 V1294 L1297 L1298 W1463 L1467 Y1499 A1500 A1501 Y1505 L1506 V1507L1274-F1503 HydrophobicContact CD1-CD2 4.26Å; L1274-F1503 HydrophobicContact CD1-CE2 3.56Å; L1274-F1503 HydrophobicContact CD1-CZ 3.98Å; L1274-F1503 HydrophobicContact CD2-CD2 4.05Å; L1274-F1503 HydrophobicContact CD2-CE2 4.03Å; L1274-F1503 HydrophobicContact CD2-CG 4.36Å; L1274-F1503 HydrophobicContact CD2-CZ 4.36Å; L1274-F1503 HydrophobicContact CG-CD2 3.69Å; L1274-F1503 HydrophobicContact CG-CE2 3.51Å; L1274-F1503 HydrophobicContact CG-CG 4.47Å; L1274-F1503 HydrophobicContact CG-CZ 4.2Å; M1275-F1503 HydrophobicContact CE-CB 4.03Å; L1278-F1503 HydrophobicContact CB-CD2 4.33Å; L1278-F1503 HydrophobicContact CB-CE2 3.96Å; L1278-F1503 HydrophobicContact CD1-CE2 4.35Å; L1278-F1503 HydrophobicContact CD2-CD2 3.78Å; L1278-F1503 HydrophobicContact CD2-CE2 3.84Å; L1278-F1503 HydrophobicContact CG-CE2 4.26Å; V1294-F1503 HydrophobicContact CG1-CE1 4.06Å; V1294-F1503 HydrophobicContact CG1-CZ 3.99Å; L1297-F1503 HydrophobicContact CD2-CE2 4.36Å; L1298-F1503 HydrophobicContact CD1-CE1 4.07Å; L1298-F1503 HydrophobicContact CD1-CZ 4.47Å; L1298-F1503 HydrophobicContact CD2-CD1 4.44Å; L1298-F1503 HydrophobicContact CD2-CE1 3.72Å; L1298-F1503 HydrophobicContact CD2-CZ 3.94Å; L1298-F1503 HydrophobicContact CG-CE1 4Å; L1298-F1503 HydrophobicContact CG-CZ 4.02Å; W1463-F1503 HydrophobicContact CH2-CD1 4.4Å; W1463-F1503 HydrophobicContact CZ3-CD1 4.31Å; L1467-F1503 HydrophobicContact CD2-CD1 3.69Å; L1467-F1503 HydrophobicContact CD2-CE1 3.68Å; Y1499-F1503 WeakPolarHBondContact O-CB 3.13Å; Y1499-F1503 PolarHBondContact O-N 3.42Å; A1500-F1503 WeakPolarHBondContact O-CB 3.47Å; A1500-F1503 PolarHBondContact O-N 3.36Å; A1501-F1503 VanDerWaalsContact C-N 3.3Å; A1501-F1503 PolarHBondContact O-N 2.97Å; F1503-Y1505 VanDerWaalsContact C-N 3.33Å; F1503-Y1505 PolarHBondContact O-N 2.92Å; F1503-L1506 PolarHBondContact O-N 3.27Å; F1503-V1507 HydrophobicContact CD1-CG2 3.98Å; F1503-V1507 HydrophobicContact CE1-CG2 3.72Å; F1503-V1507 HydrophobicContact CZ-CG2 4.26Å; F1503-V1507 WeakPolarHBondContact O-CG2 3.34Å; F1503-V1507 PolarHBondContact O-N 3.43Å
1504C96.1Very high91.2Very high0 Ų026.6 Ų26.60%013%0.125CC..Hα-helixtrans-55.9-45.5173.6-69.60000112V1485 A1500 A1501 L1506 V1507 A1508V1485-C1504 HydrophobicContact CG1-CB 4.03Å; V1485-C1504 WeakPolarHBondContact CG1-O 3.25Å; A1500-C1504 PolarHBondContact O-N 3.08Å; A1501-C1504 WeakPolarHBondContact O-CB 3.3Å; A1501-C1504 PolarHBondContact O-N 3.39Å; C1504-L1506 PolarHBondContact O-N 2.95Å; C1504-V1507 PolarHBondContact O-N 3.06Å; C1504-A1508 WeakPolarHBondContact O-CB 3.07Å; C1504-A1508 PolarHBondContact O-N 3.04Å
1505Y96.5Very high91.6Very high0 Ų025.1 Ų25.10%012%0.117CC..Hα-helixtrans-64.8-36.8178.7-61.2-29.6000113.2V1486 D1490 A1501 H1502 F1503 Q1509 E1510 R1531 L1532V1486-Y1505 HydrophobicContact CG1-CE1 4.22Å; D1490-Y1505 WeakPolarHBondContact OD1-CE1 3.33Å; D1490-Y1505 PolarHBondContact OD1-OH 2.88Å; A1501-Y1505 HydrophobicContact CB-CE2 4.28Å; A1501-Y1505 VanDerWaalsContact O-CD2 3.29Å; A1501-Y1505 WeakPolarHBondContact O-CD2 3.12Å; A1501-Y1505 VanDerWaalsContact O-CG 3.22Å; A1501-Y1505 PolarHBondContact O-N 3.34Å; H1502-Y1505 AromaticContact CD2-CD2 3.96Å; H1502-Y1505 PolarHBondContact O-N 3.01Å; F1503-Y1505 VanDerWaalsContact C-N 3.33Å; F1503-Y1505 PolarHBondContact O-N 2.92Å; Y1505-Q1509 PolarHBondContact O-N 3.1Å; Y1505-Q1509 VanDerWaalsContact O-N 3.12Å; Y1505-E1510 HydrophobicContact CD1-CG 4.26Å; Y1505-E1510 PolarHBondContact O-N 3.18Å; Y1505-R1531 HydrophobicContact CD2-CB 4.08Å; Y1505-R1531 HydrophobicContact CE1-CB 4.32Å; Y1505-R1531 HydrophobicContact CE2-CB 3.83Å; Y1505-R1531 HydrophobicContact CG-CB 4.45Å; Y1505-L1532 HydrophobicContact CD2-CD1 4.34Å
1506L95.9Very high92Very high10 Ų1027.5 Ų27.55%0.05213%0.133CC..Hα-helixtrans-66.6-45.5173.8-78179.6000112.3M1275 L1278 H1502 F1503 C1504 Q1509 F1512 L1532 L1535 Y1558M1275-L1506 HydrophobicContact CE-CD1 4.36Å; M1275-L1506 HydrophobicContact SD-CD1 3.89Å; L1278-L1506 HydrophobicContact CD2-CB 4.41Å; L1278-L1506 HydrophobicContact CD2-CD1 4.02Å; H1502-L1506 WeakPolarHBondContact O-CB 3.44Å; H1502-L1506 WeakPolarHBondContact O-CG 3.33Å; H1502-L1506 PolarHBondContact O-N 3.01Å; F1503-L1506 PolarHBondContact O-N 3.27Å; C1504-L1506 PolarHBondContact O-N 2.95Å; L1506-Q1509 WeakPolarHBondContact O-CA 3.48Å; L1506-Q1509 PolarHBondContact O-N 3.49Å; L1506-F1512 HydrophobicContact CD2-CE2 4.16Å; L1506-F1512 HydrophobicContact CD2-CZ 4.13Å; L1506-L1532 HydrophobicContact CD2-CD2 4.07Å; L1506-L1535 HydrophobicContact CD1-CD1 4Å; L1506-L1535 HydrophobicContact CD1-CD2 3.85Å; L1506-L1535 HydrophobicContact CD2-CD2 4.12Å; L1506-L1535 HydrophobicContact CG-CD2 4.04Å; L1506-Y1558 HydrophobicContact CD1-CD2 4.43Å; L1506-Y1558 HydrophobicContact CD2-CD1 4.34Å; L1506-Y1558 HydrophobicContact CD2-CD2 4.09Å; L1506-Y1558 HydrophobicContact CD2-CE1 3.87Å; L1506-Y1558 HydrophobicContact CD2-CE2 3.61Å; L1506-Y1558 HydrophobicContact CD2-CG 4.43Å; L1506-Y1558 VanDerWaalsContact CD2-CZ 3.47Å
1507V94.7Very high92.2Very high22 Ų2231 Ų3113%0.13316%0.157CC..Hα-helixtrans-68-37.5179.5175.40000111.5V1294 V1471 F1503 C1504 Q1509V1294-V1507 HydrophobicContact CG1-CG1 4.15Å; V1294-V1507 HydrophobicContact CG1-CG2 3.78Å; V1471-V1507 HydrophobicContact CB-CG1 4.43Å; V1471-V1507 HydrophobicContact CG1-CG1 3.93Å; V1471-V1507 HydrophobicContact CG2-CG1 3.55Å; F1503-V1507 HydrophobicContact CD1-CG2 3.98Å; F1503-V1507 HydrophobicContact CE1-CG2 3.72Å; F1503-V1507 HydrophobicContact CZ-CG2 4.26Å; F1503-V1507 WeakPolarHBondContact O-CG2 3.34Å; F1503-V1507 PolarHBondContact O-N 3.43Å; C1504-V1507 PolarHBondContact O-N 3.06Å; V1507-Q1509 PolarHBondContact O-N 3.36Å
1508A94.1Very high91.9Very high5 Ų532.7 Ų32.74%0.04117%0.17CC..Hα-helixtrans-64.6-20.2169.300000113.5R1482 V1485 V1486 C1504 E1510R1482-A1508 WeakPolarHBondContact CD-O 2.91Å; R1482-A1508 HydrophobicContact CG-CB 4.02Å; R1482-A1508 PolarHBondContact NE-O 2.9Å; R1482-A1508 PolarHBondContact NH1-O 3.1Å; V1485-A1508 HydrophobicContact CB-CB 4.39Å; V1485-A1508 HydrophobicContact CG1-CB 4.01Å; V1486-A1508 HydrophobicContact CG2-CB 3.63Å; C1504-A1508 WeakPolarHBondContact O-CB 3.07Å; C1504-A1508 PolarHBondContact O-N 3.04Å; A1508-E1510 HydrophobicContact CB-CG 4.28Å
1509Q93.2Very high91.2Very high72 Ų7232.6 Ų32.634%0.33617%0.17SC..THydrogen-bonded Turntrans62.546.8-171.3-50.2-174.319.900113.2R1482 Y1505 L1506 V1507 F2036R1482-Q1509 PolarHBondContact NH1-O 3.39Å; R1482-Q1509 PolarHBondContact NH2-O 2.98Å; Y1505-Q1509 PolarHBondContact O-N 3.1Å; Y1505-Q1509 VanDerWaalsContact O-N 3.12Å; L1506-Q1509 WeakPolarHBondContact O-CA 3.48Å; L1506-Q1509 PolarHBondContact O-N 3.49Å; V1507-Q1509 PolarHBondContact O-N 3.36Å; Q1509-F2036 HydrophobicContact CB-CE2 3.98Å; Q1509-F2036 HydrophobicContact CB-CZ 4.34Å; Q1509-F2036 HydrophobicContact CG-CE2 3.99Å; Q1509-F2036 HydrophobicContact CG-CZ 3.85Å; Q1509-F2036 VanDerWaalsContact NE2-CZ 3.31Å
1510E93.7Very high90.1Very high44 Ų4434.2 Ų34.221%0.20618%0.18CC..PPolyproline II helixtrans-64.3148.6168.2-69.5-66.1107.400111.7R1482 V1486 Y1505 A1508R1482-E1510 IonicContact CZ-OE1 2.86Å; R1482-E1510 IonicContact NE-OE1 3.42Å; R1482-E1510 PolarHBondContact NE-OE1 3.44Å; R1482-E1510 IonicContact NH2-OE1 3.59Å; R1482-E1510 PolarHBondContact NH2-OE1 2.67Å; V1486-E1510 HydrophobicContact CG2-CG 3.76Å; Y1505-E1510 HydrophobicContact CD1-CG 4.26Å; Y1505-E1510 PolarHBondContact O-N 3.18Å; A1508-E1510 HydrophobicContact CB-CG 4.28Å
1511E90.9Very high89Confident123 Ų12342.4 Ų42.458%0.57522%0.219SC*.PPolyproline II helixtrans-86.2147.4-176.8-62.7-167.7165.400112.1T2032E1511-T2032 VanDerWaalsContact OE1-CG2 3.28Å; E1511-T2032 WeakPolarHBondContact OE1-CG2 3.41Å
1512F94.1Very high87.7Confident26 Ų2645.1 Ų45.111%0.11423%0.233CC..BIsolated β-bridgetrans-82.6118.3179.3-77.4-107.8000111L1506 L1532 L1535 T1555 Y1558 I1571 H1573L1506-F1512 HydrophobicContact CD2-CE2 4.16Å; L1506-F1512 HydrophobicContact CD2-CZ 4.13Å; F1512-L1532 CarbonylContact C-O 3.53Å; F1512-L1532 WeakPolarHBondContact CA-O 3.39Å; F1512-L1532 HydrophobicContact CD1-CD2 4.47Å; F1512-L1532 HydrophobicContact CD1-CG 4.2Å; F1512-L1532 HydrophobicContact CD2-CD2 3.87Å; F1512-L1532 HydrophobicContact CD2-CG 4.41Å; F1512-L1532 HydrophobicContact CE1-CD2 4.12Å; F1512-L1532 HydrophobicContact CE1-CG 3.98Å; F1512-L1532 HydrophobicContact CE2-CD2 3.45Å; F1512-L1532 VanDerWaalsContact CE2-CD2 3.45Å; F1512-L1532 HydrophobicContact CE2-CG 4.19Å; F1512-L1532 HydrophobicContact CG-CD2 4.36Å; F1512-L1532 HydrophobicContact CG-CG 4.42Å; F1512-L1532 HydrophobicContact CZ-CD2 3.61Å; F1512-L1532 HydrophobicContact CZ-CG 3.99Å; F1512-L1535 HydrophobicContact CE1-CD2 4.19Å; F1512-L1535 HydrophobicContact CE1-CG 4.33Å; F1512-L1535 HydrophobicContact CZ-CD2 3.94Å; F1512-L1535 HydrophobicContact CZ-CG 4.27Å; F1512-T1555 HydrophobicContact CD1-CG2 4.34Å; F1512-T1555 HydrophobicContact CE1-CG2 3.72Å; F1512-T1555 HydrophobicContact CZ-CG2 4.44Å; F1512-Y1558 HydrophobicContact CE2-CD1 4.05Å; F1512-Y1558 AromaticContact CE2-CE1 3.55Å; F1512-Y1558 HydrophobicContact CE2-CE1 3.55Å; F1512-Y1558 AromaticContact CZ-CD1 3.83Å; F1512-Y1558 HydrophobicContact CZ-CD1 3.83Å; F1512-Y1558 AromaticContact CZ-CE1 3.81Å; F1512-Y1558 HydrophobicContact CZ-CE1 3.81Å; F1512-I1571 HydrophobicContact CB-CG2 3.57Å; F1512-I1571 HydrophobicContact CD1-CD1 4.33Å; F1512-I1571 HydrophobicContact CD1-CG2 4.44Å; F1512-I1571 HydrophobicContact CD2-CD1 4.01Å; F1512-I1571 HydrophobicContact CE1-CD1 4.36Å; F1512-I1571 HydrophobicContact CE2-CD1 4.05Å; F1512-I1571 HydrophobicContact CG-CD1 4.15Å; F1512-I1571 HydrophobicContact CG-CG2 3.99Å; F1512-I1571 HydrophobicContact CZ-CD1 4.22Å; F1512-H1573 PolarHBondContact O-CD2 3.04Å
1513G91.1Very high85.9Confident15 Ų1549.2 Ų49.216%0.15526%0.258CS..  trans-86-171.5-178.800000115.5L1532G1513-L1532 PolarHBondContact N-O 3.3Å
1514R88.4Confident84.1Confident113 Ų11353.1 Ų53.143%0.42628%0.282SS..  trans-96.1143.4165.6-62-171.4-179.2-148.31.4109P1530 H1573 D1613R1514-P1530 WeakPolarHBondContact O-CG 3.38Å; R1514-H1573 HydrophobicContact CG-CB 4.11Å; R1514-H1573 PolarHBondContact NE-CE1 3.44Å; R1514-H1573 PolarHBondContact NE-ND1 2.96Å; R1514-D1613 IonicContact CZ-OD2 2.97Å; R1514-D1613 IonicContact NH1-OD2 3.31Å; R1514-D1613 PolarHBondContact NH1-OD2 2.88Å; R1514-D1613 IonicContact NH2-OD2 2.72Å
1515Y90.4Very high82.7Confident31 Ų3155 Ų5512%0.12229%0.292CS..  trans-67.4135.1169.1169.6-84.2000109.9S1517 T1520 H1539 F1543 F1546 Y1577Y1515-S1517 WeakPolarHBondContact CE1-OG 3.16Å; Y1515-T1520 HydrophobicContact CE2-CG2 4.32Å; Y1515-T1520 WeakPolarHBondContact OH-CG2 3.48Å; Y1515-H1539 HydrophobicContact CD2-CB 4.39Å; Y1515-F1543 AromaticContact CD1-CD2 3.71Å; Y1515-F1543 HydrophobicContact CD1-CD2 3.71Å; Y1515-F1543 HydrophobicContact CD1-CE2 4.39Å; Y1515-F1543 HydrophobicContact CE1-CB 3.95Å; Y1515-F1543 AromaticContact CE1-CD2 3.74Å; Y1515-F1543 HydrophobicContact CE1-CD2 3.74Å; Y1515-F1543 HydrophobicContact CE1-CG 4.32Å; Y1515-F1543 HydrophobicContact CG-CD2 4.16Å; Y1515-F1543 PolarHBondContact OH-N 3.46Å; Y1515-F1543 VanDerWaalsContact OH-N 3.11Å; Y1515-F1546 AromaticContact CD2-CD1 3.37Å; Y1515-F1546 HydrophobicContact CD2-CD1 3.37Å; Y1515-F1546 AromaticContact CD2-CE1 3.67Å; Y1515-F1546 HydrophobicContact CD2-CE1 3.67Å; Y1515-F1546 HydrophobicContact CD2-CG 4Å; Y1515-F1546 HydrophobicContact CD2-CZ 4.49Å; Y1515-F1546 HydrophobicContact CE2-CB 4.29Å; Y1515-F1546 AromaticContact CE2-CD1 3.84Å; Y1515-F1546 HydrophobicContact CE2-CD1 3.84Å; Y1515-F1546 HydrophobicContact CE2-CG 4.16Å; Y1515-F1546 HydrophobicContact CG-CD1 4.09Å; Y1515-F1546 HydrophobicContact CG-CE1 4.12Å; Y1515-Y1577 WeakPolarHBondContact CB-OH 3.49Å
1516D86.4Confident81.4Confident87 Ų8757 Ų5747%0.46530%0.304SS..  trans-117.4131.3168.6-178.63.6000108.5S1518 A1519D1516-S1518 PolarHBondContact O-N 3.43Å; D1516-S1518 PolarHBondContact OD1-N 3.45Å; D1516-S1518 PolarHBondContact OD1-OG 3.47Å; D1516-S1518 WeakPolarHBondContact OD2-CB 3.05Å; D1516-S1518 PolarHBondContact OD2-OG 3Å; D1516-A1519 WeakPolarHBondContact O-CB 2.99Å; D1516-A1519 PolarHBondContact O-N 3.36Å
1517S82.6Confident79.9Confident74 Ų7461.6 Ų61.652%0.51734%0.343SS..G310 helixtrans-65.4-28.3176.8-56.80000112Y1515 A1519 T1520Y1515-S1517 WeakPolarHBondContact CE1-OG 3.16Å; S1517-A1519 PolarHBondContact O-N 2.88Å; S1517-T1520 PolarHBondContact O-N 2.87Å; S1517-T1520 VanDerWaalsContact O-N 3.14Å; S1517-T1520 PolarHBondContact O-OG1 3.4Å
1518S79Confident78.9Confident56 Ų5667.9 Ų67.939%0.39238%0.376SS..G310 helixtrans-59.9-32.2178.185.50000112D1516 T1520 E1521 L1522D1516-S1518 PolarHBondContact O-N 3.43Å; D1516-S1518 PolarHBondContact OD1-N 3.45Å; D1516-S1518 PolarHBondContact OD1-OG 3.47Å; D1516-S1518 WeakPolarHBondContact OD2-CB 3.05Å; D1516-S1518 PolarHBondContact OD2-OG 3Å; S1518-T1520 PolarHBondContact O-N 3.25Å; S1518-T1520 VanDerWaalsContact O-N 3.13Å; S1518-E1521 PolarHBondContact O-N 3.46Å; S1518-L1522 WeakPolarHBondContact O-CD1 3.23Å
1519A75.2Confident78.3Confident2 Ų268.6 Ų68.62%0.01738%0.38CS..G310 helixtrans-57.6-30.1178.600000112.8D1516 S1517 E1521 L1522 V1529 Y1540D1516-A1519 WeakPolarHBondContact O-CB 2.99Å; D1516-A1519 PolarHBondContact O-N 3.36Å; S1517-A1519 PolarHBondContact O-N 2.88Å; A1519-E1521 PolarHBondContact O-N 2.66Å; A1519-L1522 PolarHBondContact O-N 3.26Å; A1519-V1529 HydrophobicContact CB-CG1 3.85Å; A1519-V1529 HydrophobicContact CB-CG2 4.2Å; A1519-Y1540 WeakPolarHBondContact O-CD1 3.41Å; A1519-Y1540 WeakPolarHBondContact O-CE1 3.44Å
1520T72.1Confident77.9Confident37 Ų3767.1 Ų67.123%0.22738%0.377CS..G310 helixtrans-67.8-16.6179.168.90000113.9Y1515 S1517 S1518 K1541Y1515-T1520 HydrophobicContact CE2-CG2 4.32Å; Y1515-T1520 WeakPolarHBondContact OH-CG2 3.48Å; S1517-T1520 PolarHBondContact O-N 2.87Å; S1517-T1520 VanDerWaalsContact O-N 3.14Å; S1517-T1520 PolarHBondContact O-OG1 3.4Å; S1518-T1520 PolarHBondContact O-N 3.25Å; S1518-T1520 VanDerWaalsContact O-N 3.13Å; T1520-K1541 WeakPolarHBondContact CG2-O 3.19Å
1521E67.9Low77.7Confident172 Ų17268 Ų6880%0.80438%0.378SS*.G310 helixtrans-88-15172.6-60.7-175.3-175.300113S1518 A1519S1518-E1521 PolarHBondContact O-N 3.46Å; A1519-E1521 PolarHBondContact O-N 2.66Å
1522L66.7Low77.7Confident56 Ų5662.2 Ų62.229%0.29335%0.351SS..  trans-84.9130.1177.6-73.8107.2000111.1S1518 A1519 T1524 T1526 Y1540S1518-L1522 WeakPolarHBondContact O-CD1 3.23Å; A1519-L1522 PolarHBondContact O-N 3.26Å; L1522-T1524 VanDerWaalsContact C-N 3.35Å; L1522-T1526 HydrophobicContact CD2-CG2 3.52Å; L1522-Y1540 HydrophobicContact CB-CE1 4.09Å; L1522-Y1540 WeakPolarHBondContact O-CD1 3.33Å; L1522-Y1540 WeakPolarHBondContact O-CE1 3.28Å
1523T57.5Low77.7Confident88 Ų8861.1 Ų61.154%0.5435%0.347SS..SBendtrans-9510.7177.446.50000113A1256 T1257A1256-T1523 VanDerWaalsContact O-CB 3.3Å; A1256-T1523 WeakPolarHBondContact O-CB 3.5Å; A1256-T1523 VanDerWaalsContact O-CG2 3.3Å; A1256-T1523 WeakPolarHBondContact O-CG2 3.4Å; T1257-T1523 VanDerWaalsContact CG2-O 3.26Å; T1257-T1523 WeakPolarHBondContact CG2-O 3.49Å
1524T59.8Low77.9Confident83 Ų8360.4 Ų60.451%0.50934%0.339SS..SBendtrans-143.7151.6-176.554.30000112.3L1522 T1526 Y1540L1522-T1524 VanDerWaalsContact C-N 3.35Å; T1524-T1526 PolarHBondContact O-N 3.43Å; T1524-Y1540 VanDerWaalsContact C-OH 3.3Å; T1524-Y1540 PolarHBondContact O-OH 3.04Å
1525L66.5Low78.2Confident38 Ų3855 Ų5520%0.19932%0.319CS..  trans-61.5120162.4-82.4166.3000109D1490 F1493 Q1494 Y1540D1490-L1525 HydrophobicContact CB-CD1 3.91Å; F1493-L1525 HydrophobicContact CB-CD1 4.18Å; F1493-L1525 HydrophobicContact CD1-CD1 4.13Å; F1493-L1525 HydrophobicContact CD1-CD2 4.45Å; F1493-L1525 HydrophobicContact CD1-CG 4.24Å; F1493-L1525 HydrophobicContact CG-CD1 4.38Å; Q1494-L1525 HydrophobicContact CG-CD1 4.24Å; L1525-Y1540 VanDerWaalsContact CA-OH 3.3Å; L1525-Y1540 WeakPolarHBondContact CA-OH 3.36Å; L1525-Y1540 PolarHBondContact N-OH 3.1Å
1526T68.4Low78.2Confident43 Ų4353.6 Ų53.626%0.26431%0.314SS..  trans-124.5146.9173.6680000109.7L1522 T1524 N1528 V1529L1522-T1526 HydrophobicContact CD2-CG2 3.52Å; T1524-T1526 PolarHBondContact O-N 3.43Å; T1526-N1528 PolarHBondContact O-N 3.24Å; T1526-V1529 PolarHBondContact O-N 2.9Å
1527A65Low78.4Confident106 Ų10649.5 Ų49.588%0.87629%0.292SS*.THydrogen-bonded Turntrans-63.8-5-171.600000115.5
1528N73.3Confident78.6Confident155 Ų15546 Ų4683%0.82927%0.267SS*.THydrogen-bonded Turntrans-97.4-15.2178.4-62.6-15.3000113.1T1526T1526-N1528 PolarHBondContact O-N 3.24Å
1529V81.3Confident79Confident20 Ų2043.4 Ų43.412%0.12125%0.249CC..SBendtrans-93.6127.7-178.6-179.30000109A1519 T1526 R1531 H1539A1519-V1529 HydrophobicContact CB-CG1 3.85Å; A1519-V1529 HydrophobicContact CB-CG2 4.2Å; T1526-V1529 PolarHBondContact O-N 2.9Å; V1529-R1531 PolarHBondContact O-N 3.24Å; V1529-H1539 VanDerWaalsContact CG1-CD2 3.49Å; V1529-H1539 WeakPolarHBondContact CG1-CD2 3.48Å; V1529-H1539 VanDerWaalsContact CG1-NE2 3.34Å; V1529-H1539 WeakPolarHBondContact CG1-NE2 3.14Å
1530P85.9Confident79.4Confident40 Ų4044.2 Ų44.226%0.2625%0.252SS..  trans-69.2125.4-17824.8-31.1000111.7R1514 L1532 I1533 H1539R1514-P1530 WeakPolarHBondContact O-CG 3.38Å; P1530-L1532 VanDerWaalsContact C-N 3.29Å; P1530-L1532 PolarHBondContact O-N 2.86Å; P1530-I1533 HydrophobicContact CB-CG1 4.44Å; P1530-I1533 HydrophobicContact CG-CD1 3.81Å; P1530-I1533 HydrophobicContact CG-CG1 4.13Å; P1530-H1539 PolarHBondContact O-CE1 3.11Å; P1530-H1539 VanDerWaalsContact O-CE1 3.24Å; P1530-H1539 PolarHBondContact O-ND1 3.15Å
1531R89.1Confident80Confident64 Ų6442.8 Ų42.824%0.24224%0.242CC..SBendtrans-59.8-36.3-174-55.4-173.3178.2-78.226.4113.7D1490 Y1505 V1529D1490-R1531 IonicContact OD1-CZ 3.33Å; D1490-R1531 IonicContact OD1-NE 2.72Å; D1490-R1531 IonicContact OD1-NH1 2.64Å; D1490-R1531 PolarHBondContact OD1-NH1 3.37Å; D1490-R1531 IonicContact OD1-NH2 3.21Å; D1490-R1531 IonicContact OD2-CZ 2.85Å; D1490-R1531 IonicContact OD2-NH1 2.95Å; D1490-R1531 PolarHBondContact OD2-NH1 3.16Å; D1490-R1531 IonicContact OD2-NH2 3.14Å; D1490-R1531 PolarHBondContact OD2-NH2 3Å; Y1505-R1531 HydrophobicContact CD2-CB 4.08Å; Y1505-R1531 HydrophobicContact CE1-CB 4.32Å; Y1505-R1531 HydrophobicContact CE2-CB 3.83Å; Y1505-R1531 HydrophobicContact CG-CB 4.45Å; V1529-R1531 PolarHBondContact O-N 3.24Å
1532L91.5Very high80.9Confident0 Ų041 Ų410%023%0.233CC..BIsolated β-bridgetrans-126.1129.2-172.6-161.465.6000109.5H1502 Y1505 L1506 F1512 G1513 P1530 L1535H1502-L1532 HydrophobicContact CB-CD1 4.02Å; Y1505-L1532 HydrophobicContact CD2-CD1 4.34Å; L1506-L1532 HydrophobicContact CD2-CD2 4.07Å; F1512-L1532 CarbonylContact C-O 3.53Å; F1512-L1532 WeakPolarHBondContact CA-O 3.39Å; F1512-L1532 HydrophobicContact CD1-CD2 4.47Å; F1512-L1532 HydrophobicContact CD1-CG 4.2Å; F1512-L1532 HydrophobicContact CD2-CD2 3.87Å; F1512-L1532 HydrophobicContact CD2-CG 4.41Å; F1512-L1532 HydrophobicContact CE1-CD2 4.12Å; F1512-L1532 HydrophobicContact CE1-CG 3.98Å; F1512-L1532 HydrophobicContact CE2-CD2 3.45Å; F1512-L1532 VanDerWaalsContact CE2-CD2 3.45Å; F1512-L1532 HydrophobicContact CE2-CG 4.19Å; F1512-L1532 HydrophobicContact CG-CD2 4.36Å; F1512-L1532 HydrophobicContact CG-CG 4.42Å; F1512-L1532 HydrophobicContact CZ-CD2 3.61Å; F1512-L1532 HydrophobicContact CZ-CG 3.99Å; G1513-L1532 PolarHBondContact N-O 3.3Å; P1530-L1532 VanDerWaalsContact C-N 3.29Å; P1530-L1532 PolarHBondContact O-N 2.86Å; L1532-L1535 HydrophobicContact CD1-CD2 3.85Å; L1532-L1535 HydrophobicContact CG-CD2 4.48Å
1533I94Very high82Confident4 Ų440.3 Ų40.32%0.02123%0.228CC..SBendtrans-142.5-47.8-178.6-45.5-174.5000111.5P1530 H1539 F1546 Y1577P1530-I1533 HydrophobicContact CB-CG1 4.44Å; P1530-I1533 HydrophobicContact CG-CD1 3.81Å; P1530-I1533 HydrophobicContact CG-CG1 4.13Å; I1533-H1539 HydrophobicContact CD1-CB 3.45Å; I1533-H1539 VanDerWaalsContact CD1-CB 3.45Å; I1533-H1539 HydrophobicContact CG1-CB 4.27Å; I1533-F1546 HydrophobicContact CB-CE2 4.36Å; I1533-F1546 HydrophobicContact CB-CZ 3.73Å; I1533-F1546 HydrophobicContact CG2-CE1 4.13Å; I1533-F1546 HydrophobicContact CG2-CZ 3.63Å; I1533-Y1577 HydrophobicContact CG2-CE2 4.14Å; I1533-Y1577 VanDerWaalsContact CG2-OH 3.31Å; I1533-Y1577 WeakPolarHBondContact CG2-OH 3.41Å
1534L95.4Very high83.4Confident0 Ų041.5 Ų41.50%023%0.231CC..SBendtrans-136143.5166.4-70.8176.6000108.3H1502 F1546 A1547 A1551 I1552 T1555 F1574 Y1577H1502-L1534 PolarHBondContact CE1-O 3.43Å; H1502-L1534 PolarHBondContact ND1-O 2.76Å; L1534-F1546 HydrophobicContact CB-CE2 3.89Å; L1534-F1546 HydrophobicContact CB-CZ 3.79Å; L1534-F1546 HydrophobicContact CD1-CE1 3.85Å; L1534-F1546 HydrophobicContact CD1-CE2 4.16Å; L1534-F1546 HydrophobicContact CD1-CZ 3.64Å; L1534-F1546 HydrophobicContact CG-CE1 4.21Å; L1534-F1546 HydrophobicContact CG-CE2 4.2Å; L1534-F1546 HydrophobicContact CG-CZ 3.6Å; L1534-A1547 HydrophobicContact CD1-CB 4.35Å; L1534-A1551 HydrophobicContact CB-CB 4.17Å; L1534-A1551 HydrophobicContact CD1-CB 4.41Å; L1534-I1552 HydrophobicContact CD1-CG1 3.94Å; L1534-I1552 HydrophobicContact CD2-CG1 4.3Å; L1534-T1555 HydrophobicContact CD2-CG2 4.24Å; L1534-F1574 HydrophobicContact CD2-CD2 3.7Å; L1534-F1574 HydrophobicContact CD2-CE2 3.58Å; L1534-Y1577 HydrophobicContact CD1-CD1 4.11Å; L1534-Y1577 HydrophobicContact CD1-CE1 4.29Å; L1534-Y1577 HydrophobicContact CD1-CG 4.24Å; L1534-Y1577 HydrophobicContact CD2-CD2 3.74Å; L1534-Y1577 HydrophobicContact CD2-CE2 4.2Å; L1534-Y1577 HydrophobicContact CD2-CG 4.01Å; L1534-Y1577 HydrophobicContact CG-CD2 4.24Å; L1534-Y1577 HydrophobicContact CG-CE2 4.28Å; L1534-Y1577 HydrophobicContact CG-CG 4.44Å
1535L94.9Very high84.7Confident0 Ų040.8 Ų40.80%022%0.222CC..THydrogen-bonded Turntrans-70.3144.1176-59.4-176.5000110.7H1502 L1506 F1512 L1532 S1537 A1551 M1554 T1555 Y1558H1502-L1535 HydrophobicContact CB-CD2 4.46Å; L1506-L1535 HydrophobicContact CD1-CD1 4Å; L1506-L1535 HydrophobicContact CD1-CD2 3.85Å; L1506-L1535 HydrophobicContact CD2-CD2 4.12Å; L1506-L1535 HydrophobicContact CG-CD2 4.04Å; F1512-L1535 HydrophobicContact CE1-CD2 4.19Å; F1512-L1535 HydrophobicContact CE1-CG 4.33Å; F1512-L1535 HydrophobicContact CZ-CD2 3.94Å; F1512-L1535 HydrophobicContact CZ-CG 4.27Å; L1532-L1535 HydrophobicContact CD1-CD2 3.85Å; L1532-L1535 HydrophobicContact CG-CD2 4.48Å; L1535-S1537 PolarHBondContact O-N 3.05Å; L1535-A1551 VanDerWaalsContact O-CA 3.23Å; L1535-A1551 WeakPolarHBondContact O-CA 3.29Å; L1535-A1551 WeakPolarHBondContact O-CB 3.34Å; L1535-M1554 HydrophobicContact CB-CB 4.25Å; L1535-M1554 HydrophobicContact CB-CG 3.69Å; L1535-M1554 HydrophobicContact CB-SD 3.51Å; L1535-M1554 VanDerWaalsContact CB-SD 3.51Å; L1535-M1554 HydrophobicContact CD1-CG 4.19Å; L1535-T1555 PolarHBondContact N-OG1 2.87Å; L1535-Y1558 HydrophobicContact CD1-CG 4.04Å
1536G90.3Very high85.8Confident1 Ų139 Ų391%0.0121%0.213CC..THydrogen-bonded Turntrans65.713.8179.200000116.7C1251C1251-G1536 WeakPolarHBondContact CB-O 3.27Å; C1251-G1536 PolarHBondContact SG-O 3.15Å
1537S89.5Confident87Confident1 Ų136.9 Ų36.91%0.00720%0.2CC..  trans-146.3138.7179.3-171.40000113.7H1502 L1535 F1546H1502-S1537 PolarHBondContact CE1-O 2.94Å; L1535-S1537 PolarHBondContact O-N 3.05Å; S1537-F1546 VanDerWaalsContact CB-O 3.31Å; S1537-F1546 WeakPolarHBondContact CB-O 3.47Å; S1537-F1546 WeakPolarHBondContact OG-CA 3.38Å; S1537-F1546 WeakPolarHBondContact OG-CD2 3.21Å; S1537-F1546 PolarHBondContact OG-O 3.48Å
1538S87Confident88.3Confident0 Ų033.1 Ų33.10%017%0.167CC..  trans-88.5127.5-176.7173.80000112.3L1254 Y1540 K1541 F1546L1254-S1538 VanDerWaalsContact CD2-CB 3.49Å; L1254-S1538 WeakPolarHBondContact CD2-OG 3.45Å; S1538-Y1540 PolarHBondContact O-N 3.2Å; S1538-Y1540 PolarHBondContact OG-N 2.8Å; S1538-K1541 WeakPolarHBondContact O-CB 3.31Å; S1538-K1541 PolarHBondContact O-N 2.89Å; S1538-K1541 VanDerWaalsContact O-N 3.07Å; S1538-F1546 VanDerWaalsContact C-CD2 3.49Å; S1538-F1546 VanDerWaalsContact O-CD2 3.31Å; S1538-F1546 WeakPolarHBondContact O-CD2 3.44Å
1539H86.8Confident89.2Confident2 Ų226.9 Ų26.91%0.00913%0.134CC..THydrogen-bonded Turntrans-69.5-4.5175.755.6-104.9000114.4Y1515 V1529 P1530 I1533 K1541 F1546Y1515-H1539 HydrophobicContact CD2-CB 4.39Å; V1529-H1539 VanDerWaalsContact CG1-CD2 3.49Å; V1529-H1539 WeakPolarHBondContact CG1-CD2 3.48Å; V1529-H1539 VanDerWaalsContact CG1-NE2 3.34Å; V1529-H1539 WeakPolarHBondContact CG1-NE2 3.14Å; P1530-H1539 PolarHBondContact O-CE1 3.11Å; P1530-H1539 VanDerWaalsContact O-CE1 3.24Å; P1530-H1539 PolarHBondContact O-ND1 3.15Å; I1533-H1539 HydrophobicContact CD1-CB 3.45Å; I1533-H1539 VanDerWaalsContact CD1-CB 3.45Å; I1533-H1539 HydrophobicContact CG1-CB 4.27Å; H1539-K1541 VanDerWaalsContact C-N 3.32Å; H1539-F1546 HydrophobicContact CB-CD2 4.41Å; H1539-F1546 HydrophobicContact CB-CE2 4.23Å
1540Y85.1Confident89.7Confident19 Ų1926.3 Ų26.38%0.07513%0.13CC..THydrogen-bonded Turntrans-80.8-11.5168.9-65.6-84.6000113.1A1256 F1493 A1519 L1522 T1524 L1525 S1538A1256-Y1540 HydrophobicContact CB-CD1 4.35Å; A1256-Y1540 HydrophobicContact CB-CG 4.24Å; F1493-Y1540 AromaticContact CE1-CD2 3.68Å; F1493-Y1540 HydrophobicContact CE1-CD2 3.68Å; F1493-Y1540 AromaticContact CE1-CE2 3.51Å; F1493-Y1540 HydrophobicContact CE1-CE2 3.51Å; F1493-Y1540 AromaticContact CZ-CD2 3.74Å; F1493-Y1540 HydrophobicContact CZ-CD2 3.74Å; F1493-Y1540 AromaticContact CZ-CE2 3.79Å; F1493-Y1540 HydrophobicContact CZ-CE2 3.79Å; A1519-Y1540 WeakPolarHBondContact O-CD1 3.41Å; A1519-Y1540 WeakPolarHBondContact O-CE1 3.44Å; L1522-Y1540 HydrophobicContact CB-CE1 4.09Å; L1522-Y1540 WeakPolarHBondContact O-CD1 3.33Å; L1522-Y1540 WeakPolarHBondContact O-CE1 3.28Å; T1524-Y1540 VanDerWaalsContact C-OH 3.3Å; T1524-Y1540 PolarHBondContact O-OH 3.04Å; L1525-Y1540 VanDerWaalsContact CA-OH 3.3Å; L1525-Y1540 WeakPolarHBondContact CA-OH 3.36Å; L1525-Y1540 PolarHBondContact N-OH 3.1Å; S1538-Y1540 PolarHBondContact O-N 3.2Å; S1538-Y1540 PolarHBondContact OG-N 2.8Å
1541K84.5Confident90Very high7 Ų724.5 Ų24.53%0.0312%0.118CC..SBendtrans-78.3149.1171.4-66.4164.3174.2-84.90110.2G1250 A1253 T1520 S1538 H1539 E1545 F1546G1250-K1541 PolarHBondContact O-NZ 3.19Å; A1253-K1541 WeakPolarHBondContact O-CE 3.4Å; A1253-K1541 PolarHBondContact O-NZ 3.49Å; T1520-K1541 WeakPolarHBondContact CG2-O 3.19Å; S1538-K1541 WeakPolarHBondContact O-CB 3.31Å; S1538-K1541 PolarHBondContact O-N 2.89Å; S1538-K1541 VanDerWaalsContact O-N 3.07Å; H1539-K1541 VanDerWaalsContact C-N 3.32Å; K1541-E1545 HydrophobicContact CB-CB 4.28Å; K1541-E1545 HydrophobicContact CB-CG 4.41Å; K1541-E1545 HydrophobicContact CD-CG 4.15Å; K1541-E1545 HydrophobicContact CG-CG 4.5Å; K1541-E1545 IonicContact NZ-OE1 3.27Å; K1541-E1545 PolarHBondContact NZ-OE1 2.83Å; K1541-F1546 HydrophobicContact CB-CB 4.1Å
1542H86Confident90.4Very high133 Ų13321.4 Ų21.462%0.61611%0.106SC*.  trans-57.1142.7172.1-56.5-56.8000111.2N1544 E1545 F1546H1542-N1544 VanDerWaalsContact C-N 3.27Å; H1542-N1544 PolarHBondContact O-N 3.5Å; H1542-E1545 PolarHBondContact O-N 3.46Å; H1542-F1546 PolarHBondContact O-N 2.91Å
1543F90.5Very high90.5Very high42 Ų4221.4 Ų21.418%0.18411%0.106CC..Hα-helixtrans-43.2-42.7-167.8-177.9-98.6000116.1Y1515 A1547 Y1577 L1580 F2121Y1515-F1543 AromaticContact CD1-CD2 3.71Å; Y1515-F1543 HydrophobicContact CD1-CD2 3.71Å; Y1515-F1543 HydrophobicContact CD1-CE2 4.39Å; Y1515-F1543 HydrophobicContact CE1-CB 3.95Å; Y1515-F1543 AromaticContact CE1-CD2 3.74Å; Y1515-F1543 HydrophobicContact CE1-CD2 3.74Å; Y1515-F1543 HydrophobicContact CE1-CG 4.32Å; Y1515-F1543 HydrophobicContact CG-CD2 4.16Å; Y1515-F1543 PolarHBondContact OH-N 3.46Å; Y1515-F1543 VanDerWaalsContact OH-N 3.11Å; F1543-A1547 HydrophobicContact CZ-CB 4.44Å; F1543-A1547 VanDerWaalsContact O-CB 3.23Å; F1543-A1547 WeakPolarHBondContact O-CB 3.39Å; F1543-A1547 PolarHBondContact O-N 2.81Å; F1543-Y1577 AromaticContact CE2-CE1 3.94Å; F1543-Y1577 HydrophobicContact CE2-CE1 3.94Å; F1543-Y1577 HydrophobicContact CZ-CE1 4.39Å; F1543-L1580 HydrophobicContact CE1-CD2 3.97Å; F1543-L1580 HydrophobicContact CZ-CD2 4.02Å; F1543-F2121 HydrophobicContact CE2-CE1 4.27Å; F1543-F2121 HydrophobicContact CZ-CE1 4.07Å
1544N87.4Confident90.6Very high113 Ų11321.2 Ų21.260%0.60411%0.105SC*.Hα-helixtrans-71.1-29-178.3-72.2-41.3000114H1542H1542-N1544 VanDerWaalsContact C-N 3.27Å; H1542-N1544 PolarHBondContact O-N 3.5Å
1545E86.2Confident90.7Very high68 Ų6821.2 Ų21.232%0.31811%0.105SC..Hα-helixtrans-84.8-39.6174.5-169.5-167.1159.900110.5K1541 H1542K1541-E1545 HydrophobicContact CB-CB 4.28Å; K1541-E1545 HydrophobicContact CB-CG 4.41Å; K1541-E1545 HydrophobicContact CD-CG 4.15Å; K1541-E1545 HydrophobicContact CG-CG 4.5Å; K1541-E1545 IonicContact NZ-OE1 3.27Å; K1541-E1545 PolarHBondContact NZ-OE1 2.83Å; H1542-E1545 PolarHBondContact O-N 3.46Å
1546F90.5Very high90.7Very high0 Ų021.2 Ų21.20%011%0.105CC..Hα-helixtrans-58.4-52.5172.7164.3-112.8000111.8Y1515 I1533 L1534 S1537 S1538 H1539 K1541 H1542 S1548 Y1577Y1515-F1546 AromaticContact CD2-CD1 3.37Å; Y1515-F1546 HydrophobicContact CD2-CD1 3.37Å; Y1515-F1546 AromaticContact CD2-CE1 3.67Å; Y1515-F1546 HydrophobicContact CD2-CE1 3.67Å; Y1515-F1546 HydrophobicContact CD2-CG 4Å; Y1515-F1546 HydrophobicContact CD2-CZ 4.49Å; Y1515-F1546 HydrophobicContact CE2-CB 4.29Å; Y1515-F1546 AromaticContact CE2-CD1 3.84Å; Y1515-F1546 HydrophobicContact CE2-CD1 3.84Å; Y1515-F1546 HydrophobicContact CE2-CG 4.16Å; Y1515-F1546 HydrophobicContact CG-CD1 4.09Å; Y1515-F1546 HydrophobicContact CG-CE1 4.12Å; I1533-F1546 HydrophobicContact CB-CE2 4.36Å; I1533-F1546 HydrophobicContact CB-CZ 3.73Å; I1533-F1546 HydrophobicContact CG2-CE1 4.13Å; I1533-F1546 HydrophobicContact CG2-CZ 3.63Å; L1534-F1546 HydrophobicContact CB-CE2 3.89Å; L1534-F1546 HydrophobicContact CB-CZ 3.79Å; L1534-F1546 HydrophobicContact CD1-CE1 3.85Å; L1534-F1546 HydrophobicContact CD1-CE2 4.16Å; L1534-F1546 HydrophobicContact CD1-CZ 3.64Å; L1534-F1546 HydrophobicContact CG-CE1 4.21Å; L1534-F1546 HydrophobicContact CG-CE2 4.2Å; L1534-F1546 HydrophobicContact CG-CZ 3.6Å; S1537-F1546 VanDerWaalsContact CB-O 3.31Å; S1537-F1546 WeakPolarHBondContact CB-O 3.47Å; S1537-F1546 WeakPolarHBondContact OG-CA 3.38Å; S1537-F1546 WeakPolarHBondContact OG-CD2 3.21Å; S1537-F1546 PolarHBondContact OG-O 3.48Å; S1538-F1546 VanDerWaalsContact C-CD2 3.49Å; S1538-F1546 VanDerWaalsContact O-CD2 3.31Å; S1538-F1546 WeakPolarHBondContact O-CD2 3.44Å; H1539-F1546 HydrophobicContact CB-CD2 4.41Å; H1539-F1546 HydrophobicContact CB-CE2 4.23Å; K1541-F1546 HydrophobicContact CB-CB 4.1Å; H1542-F1546 PolarHBondContact O-N 2.91Å; F1546-S1548 PolarHBondContact O-N 2.86Å; F1546-Y1577 AromaticContact CE1-CE1 3.95Å; F1546-Y1577 HydrophobicContact CE1-CE1 3.95Å; F1546-Y1577 AromaticContact CE1-CZ 3.96Å
1547A93.3Very high91Very high0 Ų021.2 Ų21.20%011%0.105CC..SBendtrans-80.754.8-179.200000111.8L1534 F1543 I1552 Y1577 L1580 R1584L1534-A1547 HydrophobicContact CD1-CB 4.35Å; F1543-A1547 HydrophobicContact CZ-CB 4.44Å; F1543-A1547 VanDerWaalsContact O-CB 3.23Å; F1543-A1547 WeakPolarHBondContact O-CB 3.39Å; F1543-A1547 PolarHBondContact O-N 2.81Å; A1547-I1552 HydrophobicContact CB-CD1 4.47Å; A1547-Y1577 HydrophobicContact CB-CD1 4.25Å; A1547-Y1577 HydrophobicContact CB-CE1 4.48Å; A1547-L1580 HydrophobicContact CB-CD2 3.9Å; A1547-R1584 VanDerWaalsContact O-CZ 3.31Å; A1547-R1584 PolarHBondContact O-NH1 3.1Å; A1547-R1584 PolarHBondContact O-NH2 3.32Å
1548S91.5Very high91.3Very high26 Ų2622 Ų2218%0.18211%0.108CC..  trans-67.6154.1175.986.60000111.5F1546 A1551 I1552F1546-S1548 PolarHBondContact O-N 2.86Å; S1548-A1551 PolarHBondContact O-N 2.84Å; S1548-A1551 VanDerWaalsContact OG-CB 3.3Å; S1548-A1551 WeakPolarHBondContact OG-CB 3.28Å; S1548-A1551 PolarHBondContact OG-N 3.44Å; S1548-I1552 VanDerWaalsContact O-CG1 3.32Å; S1548-I1552 WeakPolarHBondContact O-CG1 3.41Å; S1548-I1552 PolarHBondContact O-N 3.32Å; S1548-I1552 VanDerWaalsContact O-N 3.15Å
1549N92.7Very high91.6Very high24 Ų2422.1 Ų22.113%0.12811%0.109CC..Hα-helixtrans-67.5-36.5-179.2-65.5-48.2000112.2T1214 L1217 I1552 I1553 R1584T1214-N1549 VanDerWaalsContact CG2-ND2 3.28Å; T1214-N1549 WeakPolarHBondContact CG2-ND2 3.37Å; L1217-N1549 HydrophobicContact CD2-CB 3.96Å; N1549-I1552 PolarHBondContact O-N 3.47Å; N1549-I1553 WeakPolarHBondContact O-CB 3.36Å; N1549-I1553 WeakPolarHBondContact O-CD1 3.48Å; N1549-I1553 WeakPolarHBondContact O-CG1 3.27Å; N1549-I1553 PolarHBondContact O-N 2.67Å; N1549-R1584 WeakPolarHBondContact OD1-CD 3.42Å; N1549-R1584 PolarHBondContact OD1-NH1 2.77Å
1550E90.9Very high92Very high9 Ų922.5 Ų22.54%0.04211%0.11CC..Hα-helixtrans-58.5-47.4173.5-172.9-174.2166.600111T1248 H1272 W1276 I1552 I1553 M1554T1248-E1550 WeakPolarHBondContact CB-OE2 3.23Å; T1248-E1550 WeakPolarHBondContact CG2-OE2 3.19Å; T1248-E1550 PolarHBondContact OG1-OE2 2.66Å; H1272-E1550 IonicContact CD2-OE1 2.87Å; H1272-E1550 IonicContact CE1-OE1 3.68Å; H1272-E1550 IonicContact NE2-OE1 2.67Å; H1272-E1550 PolarHBondContact NE2-OE1 3.27Å; W1276-E1550 HydrophobicContact CZ2-CG 4.36Å; E1550-I1552 PolarHBondContact O-N 2.66Å; E1550-I1553 PolarHBondContact O-N 3.27Å; E1550-M1554 VanDerWaalsContact O-CB 3.3Å; E1550-M1554 WeakPolarHBondContact O-CB 3.29Å; E1550-M1554 PolarHBondContact O-N 2.81Å
1551A94Very high92.4Very high1 Ų121.6 Ų21.61%0.00811%0.106CC..Hα-helixtrans-65.1-39-178.500000113.2L1534 L1535 S1548 T1555L1534-A1551 HydrophobicContact CB-CB 4.17Å; L1534-A1551 HydrophobicContact CD1-CB 4.41Å; L1535-A1551 VanDerWaalsContact O-CA 3.23Å; L1535-A1551 WeakPolarHBondContact O-CA 3.29Å; L1535-A1551 WeakPolarHBondContact O-CB 3.34Å; S1548-A1551 PolarHBondContact O-N 2.84Å; S1548-A1551 VanDerWaalsContact OG-CB 3.3Å; S1548-A1551 WeakPolarHBondContact OG-CB 3.28Å; S1548-A1551 PolarHBondContact OG-N 3.44Å; A1551-T1555 WeakPolarHBondContact O-CB 3.4Å; A1551-T1555 PolarHBondContact O-N 2.87Å; A1551-T1555 VanDerWaalsContact O-N 3.12Å; A1551-T1555 PolarHBondContact O-OG1 2.91Å
1552I95.5Very high92.8Very high0 Ų023.7 Ų23.70%011%0.114CC..Hα-helixtrans-68.2-44.8175-57.9168.8000110.1L1534 A1547 S1548 N1549 E1550 T1555 E1556 F1574 L1580 L1581L1534-I1552 HydrophobicContact CD1-CG1 3.94Å; L1534-I1552 HydrophobicContact CD2-CG1 4.3Å; A1547-I1552 HydrophobicContact CB-CD1 4.47Å; S1548-I1552 VanDerWaalsContact O-CG1 3.32Å; S1548-I1552 WeakPolarHBondContact O-CG1 3.41Å; S1548-I1552 PolarHBondContact O-N 3.32Å; S1548-I1552 VanDerWaalsContact O-N 3.15Å; N1549-I1552 PolarHBondContact O-N 3.47Å; E1550-I1552 PolarHBondContact O-N 2.66Å; I1552-T1555 PolarHBondContact O-N 2.82Å; I1552-E1556 PolarHBondContact O-N 3.44Å; I1552-F1574 HydrophobicContact CG2-CE2 3.83Å; I1552-F1574 HydrophobicContact CG2-CZ 3.86Å; I1552-F1574 VanDerWaalsContact O-CZ 3.31Å; I1552-F1574 WeakPolarHBondContact O-CZ 3.49Å; I1552-L1580 HydrophobicContact CD1-CD2 4.5Å; I1552-L1581 HydrophobicContact CG2-CB 4Å; I1552-L1581 HydrophobicContact CG2-CD2 3.88Å; I1552-L1581 HydrophobicContact CG2-CG 4.48Å
1553I95.3Very high93.1Very high0 Ų018.9 Ų18.90%010%0.096CC..Hα-helixtrans-61.5-47.3178.2-73.7169.9000111.5L1217 L1218 Y1221 F1238 N1549 E1550 T1555 E1556 I1557 L1581L1217-I1553 HydrophobicContact CD1-CD1 4.35Å; L1217-I1553 HydrophobicContact CD2-CD1 4.17Å; L1217-I1553 HydrophobicContact CG-CD1 3.98Å; L1218-I1553 HydrophobicContact CD2-CD1 4.41Å; Y1221-I1553 HydrophobicContact CD1-CD1 3.81Å; Y1221-I1553 HydrophobicContact CD1-CG1 3.73Å; Y1221-I1553 HydrophobicContact CD1-CG2 4.3Å; Y1221-I1553 HydrophobicContact CD2-CG2 3.57Å; Y1221-I1553 HydrophobicContact CE1-CB 4.4Å; Y1221-I1553 HydrophobicContact CE1-CD1 4.33Å; Y1221-I1553 HydrophobicContact CE1-CG1 3.72Å; Y1221-I1553 HydrophobicContact CE1-CG2 4.17Å; Y1221-I1553 HydrophobicContact CE2-CG2 3.51Å; Y1221-I1553 HydrophobicContact CG-CD1 3.94Å; Y1221-I1553 HydrophobicContact CG-CG1 4.13Å; Y1221-I1553 HydrophobicContact CG-CG2 4Å; F1238-I1553 HydrophobicContact CE1-CG2 3.52Å; F1238-I1553 HydrophobicContact CZ-CG2 3.77Å; N1549-I1553 WeakPolarHBondContact O-CB 3.36Å; N1549-I1553 WeakPolarHBondContact O-CD1 3.48Å; N1549-I1553 WeakPolarHBondContact O-CG1 3.27Å; N1549-I1553 PolarHBondContact O-N 2.67Å; E1550-I1553 PolarHBondContact O-N 3.27Å; I1553-T1555 VanDerWaalsContact C-N 3.26Å; I1553-T1555 PolarHBondContact O-N 2.87Å; I1553-E1556 PolarHBondContact O-N 3.31Å; I1553-I1557 HydrophobicContact CG2-CD1 3.79Å; I1553-I1557 WeakPolarHBondContact O-CG1 3.5Å; I1553-I1557 PolarHBondContact O-N 3.38Å; I1553-L1581 HydrophobicContact CG1-CD2 4.23Å
1554M95.8Very high93.1Very high0 Ų019.3 Ų19.30%010%0.099CC..Hα-helixtrans-57.3-40.3175.9-174.1-175.7-82.300111.6M1275 W1276 L1279 Y1499 L1535 E1550 Y1558M1275-M1554 HydrophobicContact CG-CE 3.89Å; M1275-M1554 HydrophobicContact CG-SD 3.56Å; M1275-M1554 VanDerWaalsContact CG-SD 3.56Å; M1275-M1554 HydrophobicContact SD-SD 4.38Å; W1276-M1554 HydrophobicContact CD2-CE 4.05Å; W1276-M1554 HydrophobicContact CH2-CB 3.87Å; W1276-M1554 HydrophobicContact CH2-CE 4.09Å; W1276-M1554 HydrophobicContact CH2-CG 4.13Å; W1276-M1554 HydrophobicContact CZ2-CB 4.27Å; W1276-M1554 HydrophobicContact CZ2-CE 3.38Å; W1276-M1554 HydrophobicContact CZ2-CG 4.37Å; W1276-M1554 HydrophobicContact CZ3-CB 4.44Å; W1276-M1554 HydrophobicContact CZ3-CG 4.38Å; L1279-M1554 HydrophobicContact CD1-CG 3.73Å; Y1499-M1554 HydrophobicContact CD1-CE 4.5Å; Y1499-M1554 HydrophobicContact CE1-CE 4.06Å; L1535-M1554 HydrophobicContact CB-CB 4.25Å; L1535-M1554 HydrophobicContact CB-CG 3.69Å; L1535-M1554 HydrophobicContact CB-SD 3.51Å; L1535-M1554 VanDerWaalsContact CB-SD 3.51Å; L1535-M1554 HydrophobicContact CD1-CG 4.19Å; E1550-M1554 VanDerWaalsContact O-CB 3.3Å; E1550-M1554 WeakPolarHBondContact O-CB 3.29Å; E1550-M1554 PolarHBondContact O-N 2.81Å; M1554-Y1558 PolarHBondContact O-N 2.89Å; M1554-Y1558 VanDerWaalsContact O-N 3.12Å
1555T96.7Very high93.3Very high0 Ų019.4 Ų19.40%010%0.095CC..Hα-helixtrans-72.5-34.7177.7-50.30000112.7F1512 L1534 L1535 A1551 I1552 I1553 Y1558 E1559 F1574F1512-T1555 HydrophobicContact CD1-CG2 4.34Å; F1512-T1555 HydrophobicContact CE1-CG2 3.72Å; F1512-T1555 HydrophobicContact CZ-CG2 4.44Å; L1534-T1555 HydrophobicContact CD2-CG2 4.24Å; L1535-T1555 PolarHBondContact N-OG1 2.87Å; A1551-T1555 WeakPolarHBondContact O-CB 3.4Å; A1551-T1555 PolarHBondContact O-N 2.87Å; A1551-T1555 VanDerWaalsContact O-N 3.12Å; A1551-T1555 PolarHBondContact O-OG1 2.91Å; I1552-T1555 PolarHBondContact O-N 2.82Å; I1553-T1555 VanDerWaalsContact C-N 3.26Å; I1553-T1555 PolarHBondContact O-N 2.87Å; T1555-Y1558 PolarHBondContact O-N 3.21Å; T1555-E1559 PolarHBondContact O-N 3.14Å; T1555-F1574 VanDerWaalsContact CB-CE2 3.49Å; T1555-F1574 HydrophobicContact CG2-CD1 4.31Å; T1555-F1574 HydrophobicContact CG2-CD2 3.53Å; T1555-F1574 HydrophobicContact CG2-CE1 4.24Å; T1555-F1574 HydrophobicContact CG2-CE2 3.5Å; T1555-F1574 HydrophobicContact CG2-CG 3.99Å; T1555-F1574 HydrophobicContact CG2-CZ 3.89Å
1556E95.6Very high93.5Very high0 Ų018.6 Ų18.60%09%0.093CC..Hα-helixtrans-67.6-39.6173.1-175.1-178.6-171.100111.6Y1221 L1225 I1552 I1553 Y1558 E1559 Y1560 F1574 Y1597Y1221-E1556 WeakPolarHBondContact CE1-OE2 3.43Å; Y1221-E1556 WeakPolarHBondContact OH-CB 3.38Å; Y1221-E1556 WeakPolarHBondContact OH-CG 3.12Å; Y1221-E1556 PolarHBondContact OH-OE2 3.05Å; L1225-E1556 HydrophobicContact CB-CG 4.37Å; L1225-E1556 HydrophobicContact CD1-CG 4.12Å; L1225-E1556 HydrophobicContact CG-CG 4.18Å; L1225-E1556 PolarHBondContact N-OE1 2.77Å; I1552-E1556 PolarHBondContact O-N 3.44Å; I1553-E1556 PolarHBondContact O-N 3.31Å; E1556-Y1558 VanDerWaalsContact C-N 3.32Å; E1556-Y1558 PolarHBondContact O-N 3.24Å; E1556-E1559 PolarHBondContact O-N 3.03Å; E1556-Y1560 VanDerWaalsContact O-CB 3.3Å; E1556-Y1560 WeakPolarHBondContact O-CB 3.42Å; E1556-Y1560 PolarHBondContact O-N 3.24Å; E1556-F1574 HydrophobicContact CB-CE1 3.9Å; E1556-F1574 HydrophobicContact CB-CZ 3.91Å; E1556-Y1597 WeakPolarHBondContact OE1-CE1 3.49Å; E1556-Y1597 PolarHBondContact OE1-OH 2.75Å; E1556-Y1597 WeakPolarHBondContact OE2-CE1 3.49Å; E1556-Y1597 PolarHBondContact OE2-OH 3.26Å
1557I95.9Very high93.3Very high0 Ų023.7 Ų23.70%013%0.126CC..Hα-helixtrans-62.1-41.3175.1-67.9163.6000110.6Y1221 L1225 I1235 F1238 W1276 L1279 L1283 I1553 A1561Y1221-I1557 HydrophobicContact CE2-CD1 3.9Å; Y1221-I1557 HydrophobicContact CE2-CG1 3.95Å; L1225-I1557 HydrophobicContact CD1-CB 4.31Å; L1225-I1557 HydrophobicContact CD1-CG1 3.68Å; I1235-I1557 HydrophobicContact CG2-CD1 4.26Å; I1235-I1557 HydrophobicContact CG2-CG1 3.94Å; I1235-I1557 HydrophobicContact CG2-CG2 4Å; F1238-I1557 HydrophobicContact CD1-CD1 3.88Å; F1238-I1557 HydrophobicContact CE1-CD1 3.92Å; W1276-I1557 HydrophobicContact CH2-CD1 4.26Å; W1276-I1557 HydrophobicContact CZ3-CD1 3.72Å; L1279-I1557 HydrophobicContact CB-CG2 4.09Å; L1279-I1557 HydrophobicContact CD1-CB 4.37Å; L1279-I1557 HydrophobicContact CD1-CG2 4.04Å; L1279-I1557 HydrophobicContact CG-CG2 4.44Å; L1283-I1557 HydrophobicContact CD1-CG2 4.09Å; I1553-I1557 HydrophobicContact CG2-CD1 3.79Å; I1553-I1557 WeakPolarHBondContact O-CG1 3.5Å; I1553-I1557 PolarHBondContact O-N 3.38Å; I1557-A1561 VanDerWaalsContact O-CB 3.25Å; I1557-A1561 WeakPolarHBondContact O-CB 3.33Å; I1557-A1561 PolarHBondContact O-N 2.61Å
1558Y96Very high93Very high18 Ų1831 Ų317%0.07116%0.157CC..Hα-helixtrans-61.7-50.1173.4174.4-106.7000112.7L1279 L1282 L1506 F1512 L1535 M1554 T1555 E1556 Y1560 A1561 R1562 F1569 I1571L1279-Y1558 HydrophobicContact CD2-CD2 4.13Å; L1279-Y1558 HydrophobicContact CD2-CG 4.43Å; L1282-Y1558 HydrophobicContact CD1-CD2 4.04Å; L1282-Y1558 HydrophobicContact CD1-CE2 4.18Å; L1506-Y1558 HydrophobicContact CD1-CD2 4.43Å; L1506-Y1558 HydrophobicContact CD2-CD1 4.34Å; L1506-Y1558 HydrophobicContact CD2-CD2 4.09Å; L1506-Y1558 HydrophobicContact CD2-CE1 3.87Å; L1506-Y1558 HydrophobicContact CD2-CE2 3.61Å; L1506-Y1558 HydrophobicContact CD2-CG 4.43Å; L1506-Y1558 VanDerWaalsContact CD2-CZ 3.47Å; F1512-Y1558 HydrophobicContact CE2-CD1 4.05Å; F1512-Y1558 AromaticContact CE2-CE1 3.55Å; F1512-Y1558 HydrophobicContact CE2-CE1 3.55Å; F1512-Y1558 AromaticContact CZ-CD1 3.83Å; F1512-Y1558 HydrophobicContact CZ-CD1 3.83Å; F1512-Y1558 AromaticContact CZ-CE1 3.81Å; F1512-Y1558 HydrophobicContact CZ-CE1 3.81Å; L1535-Y1558 HydrophobicContact CD1-CG 4.04Å; M1554-Y1558 PolarHBondContact O-N 2.89Å; M1554-Y1558 VanDerWaalsContact O-N 3.12Å; T1555-Y1558 PolarHBondContact O-N 3.21Å; E1556-Y1558 VanDerWaalsContact C-N 3.32Å; E1556-Y1558 PolarHBondContact O-N 3.24Å; Y1558-Y1560 VanDerWaalsContact C-N 3.35Å; Y1558-Y1560 PolarHBondContact O-N 3.14Å; Y1558-A1561 PolarHBondContact O-N 3.48Å; Y1558-R1562 HydrophobicContact CD2-CG 4.22Å; Y1558-R1562 HydrophobicContact CE1-CG 4.29Å; Y1558-R1562 HydrophobicContact CE2-CG 3.73Å; Y1558-R1562 WeakPolarHBondContact O-CG 3.03Å; Y1558-R1562 PolarHBondContact O-N 2.92Å; Y1558-R1562 VanDerWaalsContact OH-CD 3.3Å; Y1558-R1562 WeakPolarHBondContact OH-CD 3.5Å; Y1558-F1569 HydrophobicContact CE1-CE1 4.45Å; Y1558-F1569 HydrophobicContact CE1-CZ 4.25Å; Y1558-I1571 HydrophobicContact CD1-CD1 4.15Å; Y1558-I1571 HydrophobicContact CE1-CD1 4.26Å
1559E94.1Very high93Very high3 Ų332.3 Ų32.31%0.01416%0.16CC..Hα-helixtrans-60.4-44.8178.6-173.1-174.3-127.900111.4T1555 E1556 R1562 S1563 F1569 I1571 Q1575 K1578T1555-E1559 PolarHBondContact O-N 3.14Å; E1556-E1559 PolarHBondContact O-N 3.03Å; E1559-R1562 PolarHBondContact O-N 3.26Å; E1559-S1563 WeakPolarHBondContact O-CB 3.38Å; E1559-S1563 PolarHBondContact O-N 3.13Å; E1559-F1569 HydrophobicContact CG-CD1 4.1Å; E1559-F1569 HydrophobicContact CG-CE1 4.15Å; E1559-I1571 HydrophobicContact CB-CD1 4.15Å; E1559-I1571 HydrophobicContact CG-CD1 4.35Å; E1559-I1571 HydrophobicContact CG-CG1 4.26Å; E1559-I1571 PolarHBondContact OE1-N 3.35Å; E1559-Q1575 PolarHBondContact OE1-NE2 3.06Å; E1559-K1578 WeakPolarHBondContact OE2-CE 3.26Å; E1559-K1578 IonicContact OE2-NZ 3.1Å; E1559-K1578 PolarHBondContact OE2-NZ 3.24Å
1560Y94.2Very high92.9Very high9 Ų931.8 Ų31.84%0.03516%0.158CC..Hα-helixtrans-61-48.2175.3173-94.6000111.8L1225 I1235 L1283 E1556 Y1558 R1562 S1563 L1564L1225-Y1560 HydrophobicContact CB-CD1 4.48Å; L1225-Y1560 HydrophobicContact CB-CD2 3.54Å; L1225-Y1560 HydrophobicContact CB-CE2 4.24Å; L1225-Y1560 HydrophobicContact CB-CG 3.66Å; L1225-Y1560 HydrophobicContact CD1-CD1 4.33Å; L1225-Y1560 HydrophobicContact CD1-CG 4.03Å; L1225-Y1560 HydrophobicContact CG-CG 4.48Å; I1235-Y1560 HydrophobicContact CD1-CD1 3.67Å; I1235-Y1560 HydrophobicContact CD1-CE1 3.25Å; L1283-Y1560 HydrophobicContact CD2-CD1 3.76Å; L1283-Y1560 HydrophobicContact CD2-CE1 3.8Å; E1556-Y1560 VanDerWaalsContact O-CB 3.3Å; E1556-Y1560 WeakPolarHBondContact O-CB 3.42Å; E1556-Y1560 PolarHBondContact O-N 3.24Å; Y1558-Y1560 VanDerWaalsContact C-N 3.35Å; Y1558-Y1560 PolarHBondContact O-N 3.14Å; Y1560-R1562 VanDerWaalsContact C-N 3.31Å; Y1560-R1562 PolarHBondContact O-N 3.25Å; Y1560-S1563 WeakPolarHBondContact CA-OG 3.44Å; Y1560-S1563 WeakPolarHBondContact O-CA 3.34Å; Y1560-S1563 WeakPolarHBondContact O-CB 3.5Å; Y1560-S1563 PolarHBondContact O-N 3.28Å; Y1560-S1563 PolarHBondContact O-OG 3.36Å; Y1560-L1564 HydrophobicContact CE1-CD1 4.27Å; Y1560-L1564 HydrophobicContact CE1-CD2 4.09Å; Y1560-L1564 HydrophobicContact CE1-CG 4.32Å; Y1560-L1564 PolarHBondContact O-N 2.92Å
1561A94.3Very high93Very high0 Ų032 Ų320%016%0.16CC..Hα-helixtrans-61.3-41.2-179.100000111.2L1282 L1283 G1287 I1557 Y1558 S1563 L1564L1282-A1561 HydrophobicContact CB-CB 3.87Å; L1283-A1561 HydrophobicContact CD2-CB 3.87Å; L1283-A1561 HydrophobicContact CG-CB 4.04Å; G1287-A1561 WeakPolarHBondContact CA-O 3.29Å; I1557-A1561 VanDerWaalsContact O-CB 3.25Å; I1557-A1561 WeakPolarHBondContact O-CB 3.33Å; I1557-A1561 PolarHBondContact O-N 2.61Å; Y1558-A1561 PolarHBondContact O-N 3.48Å; A1561-S1563 VanDerWaalsContact C-N 3.34Å; A1561-S1563 PolarHBondContact O-N 3.12Å; A1561-L1564 WeakPolarHBondContact O-CB 3.22Å; A1561-L1564 PolarHBondContact O-N 2.91Å
1562R93.3Very high92.8Very high52 Ų5232.8 Ų32.820%0.19617%0.166CC..Hα-helixtrans-65-34.6172-68.7-122.862.9-173.8-0.5113Y1558 E1559 Y1560 L1564 F1565 D1566 F1569Y1558-R1562 HydrophobicContact CD2-CG 4.22Å; Y1558-R1562 HydrophobicContact CE1-CG 4.29Å; Y1558-R1562 HydrophobicContact CE2-CG 3.73Å; Y1558-R1562 WeakPolarHBondContact O-CG 3.03Å; Y1558-R1562 PolarHBondContact O-N 2.92Å; Y1558-R1562 VanDerWaalsContact OH-CD 3.3Å; Y1558-R1562 WeakPolarHBondContact OH-CD 3.5Å; E1559-R1562 PolarHBondContact O-N 3.26Å; Y1560-R1562 VanDerWaalsContact C-N 3.31Å; Y1560-R1562 PolarHBondContact O-N 3.25Å; R1562-L1564 PolarHBondContact O-N 3.32Å; R1562-F1565 PolarHBondContact O-N 2.78Å; R1562-F1565 VanDerWaalsContact O-N 3.13Å; R1562-D1566 PolarHBondContact O-N 2.67Å; R1562-F1569 HydrophobicContact CB-CD1 3.49Å; R1562-F1569 VanDerWaalsContact CB-CD1 3.49Å; R1562-F1569 HydrophobicContact CB-CD2 4.36Å; R1562-F1569 HydrophobicContact CB-CE1 3.65Å; R1562-F1569 HydrophobicContact CB-CE2 4.49Å; R1562-F1569 HydrophobicContact CB-CG 3.88Å; R1562-F1569 HydrophobicContact CB-CZ 4.16Å; R1562-F1569 HydrophobicContact CG-CD1 4.46Å; R1562-F1569 HydrophobicContact CG-CE1 4.15Å; R1562-F1569 HydrophobicContact CG-CZ 4.32Å
1563S91.6Very high92.6Very high32 Ų3235.5 Ų35.522%0.22418%0.178CC..Hα-helixtrans-66.7-16.417782.30000114.4E1559 Y1560 A1561 F1565 D1566E1559-S1563 WeakPolarHBondContact O-CB 3.38Å; E1559-S1563 PolarHBondContact O-N 3.13Å; Y1560-S1563 WeakPolarHBondContact CA-OG 3.44Å; Y1560-S1563 WeakPolarHBondContact O-CA 3.34Å; Y1560-S1563 WeakPolarHBondContact O-CB 3.5Å; Y1560-S1563 PolarHBondContact O-N 3.28Å; Y1560-S1563 PolarHBondContact O-OG 3.36Å; A1561-S1563 VanDerWaalsContact C-N 3.34Å; A1561-S1563 PolarHBondContact O-N 3.12Å; S1563-F1565 VanDerWaalsContact C-N 3.29Å; S1563-D1566 WeakPolarHBondContact CA-O 3.14Å; S1563-D1566 CarbonylContact O-C 3.13Å
1564L91.2Very high92.6Very high51 Ų5135.6 Ų35.627%0.26718%0.179SC..THydrogen-bonded Turntrans-66.5-31.1171.6-60.7175.7000112.2L1283 N1286 Y1560 A1561 R1562L1283-L1564 HydrophobicContact CD2-CD1 4.41Å; N1286-L1564 HydrophobicContact CB-CB 4.3Å; N1286-L1564 CarbonylContact O-C 2.93Å; N1286-L1564 WeakPolarHBondContact O-CB 3.38Å; Y1560-L1564 HydrophobicContact CE1-CD1 4.27Å; Y1560-L1564 HydrophobicContact CE1-CD2 4.09Å; Y1560-L1564 HydrophobicContact CE1-CG 4.32Å; Y1560-L1564 PolarHBondContact O-N 2.92Å; A1561-L1564 WeakPolarHBondContact O-CB 3.22Å; A1561-L1564 PolarHBondContact O-N 2.91Å; R1562-L1564 PolarHBondContact O-N 3.32Å
1565F90.1Very high92.6Very high114 Ų11435.6 Ų35.650%0.518%0.179SC..THydrogen-bonded Turntrans-89.5-46.5177-176.1-102.6000111.9N1286 Y1288 R1562 S1563N1286-F1565 WeakPolarHBondContact O-CA 3.41Å; N1286-F1565 VanDerWaalsContact O-CB 3.3Å; N1286-F1565 WeakPolarHBondContact O-CB 3.46Å; N1286-F1565 PolarHBondContact O-N 3.31Å; Y1288-F1565 HydrophobicContact CD2-CE2 4.19Å; Y1288-F1565 HydrophobicContact CD2-CZ 4.24Å; Y1288-F1565 HydrophobicContact CG-CE2 4.28Å; R1562-F1565 PolarHBondContact O-N 2.78Å; R1562-F1565 VanDerWaalsContact O-N 3.13Å; S1563-F1565 VanDerWaalsContact C-N 3.29Å
1566D90.6Very high92.5Very high52 Ų5237.8 Ų37.828%0.27819%0.189SC..  trans-123.299.6177.7-174.7-11.6000110R1562 S1563 K1568 F1569R1562-D1566 PolarHBondContact O-N 2.67Å; S1563-D1566 WeakPolarHBondContact CA-O 3.14Å; S1563-D1566 CarbonylContact O-C 3.13Å; D1566-K1568 PolarHBondContact O-N 3.37Å; D1566-K1568 WeakPolarHBondContact OD1-CB 3.1Å; D1566-K1568 PolarHBondContact OD1-N 2.83Å; D1566-F1569 HydrophobicContact CB-CB 4.26Å; D1566-F1569 WeakPolarHBondContact O-CB 3.33Å; D1566-F1569 PolarHBondContact O-N 3.28Å
1567P85.9Confident92.5Very high107 Ų10738.5 Ų38.570%0.69519%0.192SC*.THydrogen-bonded Turntrans-62-2.5177.9-26.436.2000115.7
1568K88.1Confident92.5Very high153 Ų15338.5 Ų38.567%0.66519%0.192SC*.THydrogen-bonded Turntrans-103.70.6171.2-57.7-175.3179.4-173.70113D1566 S1570D1566-K1568 PolarHBondContact O-N 3.37Å; D1566-K1568 WeakPolarHBondContact OD1-CB 3.1Å; D1566-K1568 PolarHBondContact OD1-N 2.83Å; K1568-S1570 PolarHBondContact O-N 2.93Å
1569F90.8Very high92.5Very high54 Ų5438.6 Ų38.624%0.23719%0.193CC..  trans-64.5122.2172-171.5-92.9000109.7Y1558 E1559 R1562 D1566 I1571Y1558-F1569 HydrophobicContact CE1-CE1 4.45Å; Y1558-F1569 HydrophobicContact CE1-CZ 4.25Å; E1559-F1569 HydrophobicContact CG-CD1 4.1Å; E1559-F1569 HydrophobicContact CG-CE1 4.15Å; R1562-F1569 HydrophobicContact CB-CD1 3.49Å; R1562-F1569 VanDerWaalsContact CB-CD1 3.49Å; R1562-F1569 HydrophobicContact CB-CD2 4.36Å; R1562-F1569 HydrophobicContact CB-CE1 3.65Å; R1562-F1569 HydrophobicContact CB-CE2 4.49Å; R1562-F1569 HydrophobicContact CB-CG 3.88Å; R1562-F1569 HydrophobicContact CB-CZ 4.16Å; R1562-F1569 HydrophobicContact CG-CD1 4.46Å; R1562-F1569 HydrophobicContact CG-CE1 4.15Å; R1562-F1569 HydrophobicContact CG-CZ 4.32Å; D1566-F1569 HydrophobicContact CB-CB 4.26Å; D1566-F1569 WeakPolarHBondContact O-CB 3.33Å; D1566-F1569 PolarHBondContact O-N 3.28Å; F1569-I1571 HydrophobicContact CE1-CD1 4.14Å; F1569-I1571 HydrophobicContact CE1-CG1 3.83Å; F1569-I1571 HydrophobicContact CZ-CD1 4.42Å; F1569-I1571 HydrophobicContact CZ-CG1 4.06Å
1570S90.3Very high92.5Very high13 Ų1339.6 Ų39.69%0.09120%0.198CC..  trans-156.1123.9-174.9162.50000108.2K1568 A1572 H1604K1568-S1570 PolarHBondContact O-N 2.93Å; S1570-A1572 PolarHBondContact O-N 3.18Å; S1570-H1604 PolarHBondContact OG-CD2 3.23Å
1571I93Very high92.6Very high14 Ų1439.1 Ų39.17%0.07220%0.196CC..  trans-89.397176.5-54.5172.9000106.8F1512 Y1558 E1559 F1569 H1573 F1574 Q1575F1512-I1571 HydrophobicContact CB-CG2 3.57Å; F1512-I1571 HydrophobicContact CD1-CD1 4.33Å; F1512-I1571 HydrophobicContact CD1-CG2 4.44Å; F1512-I1571 HydrophobicContact CD2-CD1 4.01Å; F1512-I1571 HydrophobicContact CE1-CD1 4.36Å; F1512-I1571 HydrophobicContact CE2-CD1 4.05Å; F1512-I1571 HydrophobicContact CG-CD1 4.15Å; F1512-I1571 HydrophobicContact CG-CG2 3.99Å; F1512-I1571 HydrophobicContact CZ-CD1 4.22Å; Y1558-I1571 HydrophobicContact CD1-CD1 4.15Å; Y1558-I1571 HydrophobicContact CE1-CD1 4.26Å; E1559-I1571 HydrophobicContact CB-CD1 4.15Å; E1559-I1571 HydrophobicContact CG-CD1 4.35Å; E1559-I1571 HydrophobicContact CG-CG1 4.26Å; E1559-I1571 PolarHBondContact OE1-N 3.35Å; F1569-I1571 HydrophobicContact CE1-CD1 4.14Å; F1569-I1571 HydrophobicContact CE1-CG1 3.83Å; F1569-I1571 HydrophobicContact CZ-CD1 4.42Å; F1569-I1571 HydrophobicContact CZ-CG1 4.06Å; I1571-H1573 VanDerWaalsContact C-N 3.3Å; I1571-H1573 PolarHBondContact O-N 3.26Å; I1571-F1574 HydrophobicContact CB-CB 3.67Å; I1571-F1574 HydrophobicContact CG2-CB 3.55Å; I1571-F1574 WeakPolarHBondContact O-CB 3.24Å; I1571-F1574 PolarHBondContact O-N 3.28Å; I1571-Q1575 PolarHBondContact O-NE2 3.04Å
1572A91Very high92.6Very high17 Ų1739.1 Ų39.114%0.1420%0.196CC..G310 helixtrans-57.5-41.1-171.700000113S1570 F1574 Y1612S1570-A1572 PolarHBondContact O-N 3.18Å; A1572-F1574 VanDerWaalsContact C-N 3.28Å; A1572-F1574 PolarHBondContact O-N 3.31Å; A1572-Y1612 HydrophobicContact CB-CE1 4.34Å; A1572-Y1612 VanDerWaalsContact O-CE1 3.29Å; A1572-Y1612 WeakPolarHBondContact O-CE1 3.3Å
1573H91.9Very high92.6Very high56 Ų5637.9 Ų37.926%0.25919%0.194SC..G310 helixtrans-69.4-27.5178.5-58.1-18.3000112.5F1512 R1514 I1571 Q1575 H1576F1512-H1573 PolarHBondContact O-CD2 3.04Å; R1514-H1573 HydrophobicContact CG-CB 4.11Å; R1514-H1573 PolarHBondContact NE-CE1 3.44Å; R1514-H1573 PolarHBondContact NE-ND1 2.96Å; I1571-H1573 VanDerWaalsContact C-N 3.3Å; I1571-H1573 PolarHBondContact O-N 3.26Å; H1573-Q1575 VanDerWaalsContact C-N 3.31Å; H1573-Q1575 PolarHBondContact O-N 3.47Å; H1573-H1576 PolarHBondContact O-N 3.42Å; H1573-H1576 PolarHBondContact O-ND1 3.01Å
1574F95.1Very high92.7Very high2 Ų238.4 Ų38.41%0.00919%0.191CC..G310 helixtrans-69.4-25-178.3-178.5-121.2000113.7L1534 I1552 T1555 E1556 I1571 A1572 H1576 Y1577 K1578L1534-F1574 HydrophobicContact CD2-CD2 3.7Å; L1534-F1574 HydrophobicContact CD2-CE2 3.58Å; I1552-F1574 HydrophobicContact CG2-CE2 3.83Å; I1552-F1574 HydrophobicContact CG2-CZ 3.86Å; I1552-F1574 VanDerWaalsContact O-CZ 3.31Å; I1552-F1574 WeakPolarHBondContact O-CZ 3.49Å; T1555-F1574 VanDerWaalsContact CB-CE2 3.49Å; T1555-F1574 HydrophobicContact CG2-CD1 4.31Å; T1555-F1574 HydrophobicContact CG2-CD2 3.53Å; T1555-F1574 HydrophobicContact CG2-CE1 4.24Å; T1555-F1574 HydrophobicContact CG2-CE2 3.5Å; T1555-F1574 HydrophobicContact CG2-CG 3.99Å; T1555-F1574 HydrophobicContact CG2-CZ 3.89Å; E1556-F1574 HydrophobicContact CB-CE1 3.9Å; E1556-F1574 HydrophobicContact CB-CZ 3.91Å; I1571-F1574 HydrophobicContact CB-CB 3.67Å; I1571-F1574 HydrophobicContact CG2-CB 3.55Å; I1571-F1574 WeakPolarHBondContact O-CB 3.24Å; I1571-F1574 PolarHBondContact O-N 3.28Å; A1572-F1574 VanDerWaalsContact C-N 3.28Å; A1572-F1574 PolarHBondContact O-N 3.31Å; F1574-H1576 PolarHBondContact O-N 3.49Å; F1574-H1576 VanDerWaalsContact O-N 3.1Å; F1574-Y1577 AromaticContact CD2-CD2 3.91Å; F1574-Y1577 HydrophobicContact CD2-CD2 3.91Å; F1574-Y1577 PolarHBondContact O-N 3.16Å; F1574-K1578 HydrophobicContact CD1-CD 4.45Å; F1574-K1578 HydrophobicContact CD1-CG 4.04Å; F1574-K1578 HydrophobicContact CE1-CD 4.15Å; F1574-K1578 HydrophobicContact CE1-CG 3.65Å; F1574-K1578 HydrophobicContact CZ-CG 4.05Å; F1574-K1578 PolarHBondContact O-N 3.25Å
1575Q94.7Very high92.7Very high0 Ų036.1 Ų36.10%018%0.18CC..Hα-helixtrans-61.5-24.5-178.8-48.9-48.1-56.100112.9E1559 I1571 H1573 K1578 F1579 I1601 H1604 Y1612 F1616E1559-Q1575 PolarHBondContact OE1-NE2 3.06Å; I1571-Q1575 PolarHBondContact O-NE2 3.04Å; H1573-Q1575 VanDerWaalsContact C-N 3.31Å; H1573-Q1575 PolarHBondContact O-N 3.47Å; Q1575-K1578 PolarHBondContact O-N 3.35Å; Q1575-F1579 PolarHBondContact O-N 3.21Å; Q1575-I1601 HydrophobicContact CB-CG2 4.41Å; Q1575-H1604 HydrophobicContact CG-CB 4.03Å; Q1575-H1604 PolarHBondContact OE1-CD2 2.87Å; Q1575-Y1612 HydrophobicContact CB-CE1 3.98Å; Q1575-Y1612 HydrophobicContact CG-CE1 3.78Å; Q1575-Y1612 WeakPolarHBondContact CG-OH 3.28Å; Q1575-F1616 HydrophobicContact CB-CE1 4.33Å; Q1575-F1616 HydrophobicContact CB-CZ 4.36Å
1576H94Very high92.7Very high47 Ų4730.9 Ų30.922%0.21816%0.156CC..Hα-helixtrans-65.4-38.2172-67.285.2000112.3H1573 F1574 F1579 L1580 F1616H1573-H1576 PolarHBondContact O-N 3.42Å; H1573-H1576 PolarHBondContact O-ND1 3.01Å; F1574-H1576 PolarHBondContact O-N 3.49Å; F1574-H1576 VanDerWaalsContact O-N 3.1Å; H1576-F1579 PolarHBondContact O-N 2.85Å; H1576-L1580 PolarHBondContact O-N 2.91Å; H1576-L1580 VanDerWaalsContact O-N 3.07Å; H1576-F1616 AromaticContact CD2-CD2 3.45Å; H1576-F1616 VanDerWaalsContact CD2-CD2 3.45Å; H1576-F1616 WeakPolarHBondContact CD2-CD2 3.18Å; H1576-F1616 AromaticContact CD2-CE2 3.74Å; H1576-F1616 AromaticContact CD2-CG 3.82Å; H1576-F1616 AromaticContact NE2-CD1 3.93Å; H1576-F1616 AromaticContact NE2-CD2 3.65Å; H1576-F1616 AromaticContact NE2-CG 3.48Å; H1576-F1616 WeakPolarHBondContact NE2-CG 3.37Å
1577Y95.9Very high92.6Very high14 Ų1432.3 Ų32.36%0.05516%0.164CC..Hα-helixtrans-78-31.4175.4-51-72000112.1Y1515 I1533 L1534 F1543 F1546 A1547 F1574 F1579 L1580 L1581Y1515-Y1577 WeakPolarHBondContact CB-OH 3.49Å; I1533-Y1577 HydrophobicContact CG2-CE2 4.14Å; I1533-Y1577 VanDerWaalsContact CG2-OH 3.31Å; I1533-Y1577 WeakPolarHBondContact CG2-OH 3.41Å; L1534-Y1577 HydrophobicContact CD1-CD1 4.11Å; L1534-Y1577 HydrophobicContact CD1-CE1 4.29Å; L1534-Y1577 HydrophobicContact CD1-CG 4.24Å; L1534-Y1577 HydrophobicContact CD2-CD2 3.74Å; L1534-Y1577 HydrophobicContact CD2-CE2 4.2Å; L1534-Y1577 HydrophobicContact CD2-CG 4.01Å; L1534-Y1577 HydrophobicContact CG-CD2 4.24Å; L1534-Y1577 HydrophobicContact CG-CE2 4.28Å; L1534-Y1577 HydrophobicContact CG-CG 4.44Å; F1543-Y1577 AromaticContact CE2-CE1 3.94Å; F1543-Y1577 HydrophobicContact CE2-CE1 3.94Å; F1543-Y1577 HydrophobicContact CZ-CE1 4.39Å; F1546-Y1577 AromaticContact CE1-CE1 3.95Å; F1546-Y1577 HydrophobicContact CE1-CE1 3.95Å; F1546-Y1577 AromaticContact CE1-CZ 3.96Å; A1547-Y1577 HydrophobicContact CB-CD1 4.25Å; A1547-Y1577 HydrophobicContact CB-CE1 4.48Å; F1574-Y1577 AromaticContact CD2-CD2 3.91Å; F1574-Y1577 HydrophobicContact CD2-CD2 3.91Å; F1574-Y1577 PolarHBondContact O-N 3.16Å; Y1577-F1579 VanDerWaalsContact C-N 3.3Å; Y1577-F1579 PolarHBondContact O-N 2.74Å; Y1577-L1580 PolarHBondContact O-N 3.4Å; Y1577-L1581 WeakPolarHBondContact O-CB 3.33Å; Y1577-L1581 PolarHBondContact O-N 2.88Å
1578K95.3Very high92.7Very high1 Ų129.5 Ų29.50%0.00414%0.14CC..Hα-helixtrans-60-40.4166.7-71.1-162.6-176.5177.30112E1559 F1574 Q1575 L1581 A1582 Y1597 I1601E1559-K1578 WeakPolarHBondContact OE2-CE 3.26Å; E1559-K1578 IonicContact OE2-NZ 3.1Å; E1559-K1578 PolarHBondContact OE2-NZ 3.24Å; F1574-K1578 HydrophobicContact CD1-CD 4.45Å; F1574-K1578 HydrophobicContact CD1-CG 4.04Å; F1574-K1578 HydrophobicContact CE1-CD 4.15Å; F1574-K1578 HydrophobicContact CE1-CG 3.65Å; F1574-K1578 HydrophobicContact CZ-CG 4.05Å; F1574-K1578 PolarHBondContact O-N 3.25Å; Q1575-K1578 PolarHBondContact O-N 3.35Å; K1578-L1581 PolarHBondContact O-N 2.89Å; K1578-A1582 WeakPolarHBondContact O-CB 3.46Å; K1578-A1582 PolarHBondContact O-N 3.22Å; K1578-Y1597 HydrophobicContact CB-CD1 4.45Å; K1578-I1601 HydrophobicContact CB-CD1 3.86Å; K1578-I1601 HydrophobicContact CB-CG1 4.03Å; K1578-I1601 HydrophobicContact CD-CG1 4.5Å
1579F96.3Very high92.6Very high20 Ų2023.3 Ų23.39%0.08812%0.119CC..Hα-helixtrans-64-42.8174.6-176.8-98.5000111.8Q1575 H1576 Y1577 L1581 A1582 T1583 L1598 I1601 F1616 R1619 V1620 L1623Q1575-F1579 PolarHBondContact O-N 3.21Å; H1576-F1579 PolarHBondContact O-N 2.85Å; Y1577-F1579 VanDerWaalsContact C-N 3.3Å; Y1577-F1579 PolarHBondContact O-N 2.74Å; F1579-L1581 PolarHBondContact O-N 3.39Å; F1579-A1582 WeakPolarHBondContact O-CB 3.44Å; F1579-A1582 PolarHBondContact O-N 3.47Å; F1579-T1583 HydrophobicContact CD1-CG2 4.43Å; F1579-T1583 HydrophobicContact CE1-CG2 4.01Å; F1579-T1583 HydrophobicContact CZ-CG2 4.18Å; F1579-T1583 PolarHBondContact O-N 3.16Å; F1579-T1583 PolarHBondContact O-OG1 3.3Å; F1579-L1598 HydrophobicContact CD2-CD2 3.68Å; F1579-L1598 HydrophobicContact CE2-CD2 3.75Å; F1579-I1601 HydrophobicContact CB-CD1 4.13Å; F1579-F1616 HydrophobicContact CB-CE2 3.75Å; F1579-F1616 HydrophobicContact CB-CZ 4.05Å; F1579-F1616 HydrophobicContact CD1-CE2 4.35Å; F1579-F1616 AromaticContact CG-CE2 3.96Å; F1579-F1616 HydrophobicContact CG-CE2 3.96Å; F1579-R1619 HydrophobicContact CZ-CB 4.32Å; F1579-V1620 HydrophobicContact CD2-CG2 3.86Å; F1579-V1620 HydrophobicContact CE2-CG2 4.13Å; F1579-L1623 HydrophobicContact CE2-CB 4.31Å; F1579-L1623 HydrophobicContact CE2-CD2 3.69Å; F1579-L1623 HydrophobicContact CZ-CB 4.49Å; F1579-L1623 HydrophobicContact CZ-CD2 3.85Å
1580L95.6Very high92.4Very high23 Ų2322.3 Ų22.312%0.1212%0.116CC..Hα-helixtrans-62.5-38.2173.9179.562000112.9F1543 A1547 I1552 H1576 Y1577 T1583 R1584F1543-L1580 HydrophobicContact CE1-CD2 3.97Å; F1543-L1580 HydrophobicContact CZ-CD2 4.02Å; A1547-L1580 HydrophobicContact CB-CD2 3.9Å; I1552-L1580 HydrophobicContact CD1-CD2 4.5Å; H1576-L1580 PolarHBondContact O-N 2.91Å; H1576-L1580 VanDerWaalsContact O-N 3.07Å; Y1577-L1580 PolarHBondContact O-N 3.4Å; L1580-T1583 PolarHBondContact O-OG1 2.74Å; L1580-R1584 VanDerWaalsContact O-CG 3.28Å; L1580-R1584 WeakPolarHBondContact O-CG 3.46Å; L1580-R1584 PolarHBondContact O-N 3.17Å; L1580-R1584 VanDerWaalsContact O-N 3.11Å
1581L95.3Very high92.2Very high0 Ų023.7 Ų23.70%012%0.12CC..Hα-helixtrans-67.4-40172.7-178.163.6000111L1218 I1552 I1553 Y1577 K1578 F1579 R1584 I1585 Y1597L1218-L1581 HydrophobicContact CD2-CD1 3.64Å; I1552-L1581 HydrophobicContact CG2-CB 4Å; I1552-L1581 HydrophobicContact CG2-CD2 3.88Å; I1552-L1581 HydrophobicContact CG2-CG 4.48Å; I1553-L1581 HydrophobicContact CG1-CD2 4.23Å; Y1577-L1581 WeakPolarHBondContact O-CB 3.33Å; Y1577-L1581 PolarHBondContact O-N 2.88Å; K1578-L1581 PolarHBondContact O-N 2.89Å; F1579-L1581 PolarHBondContact O-N 3.39Å; L1581-R1584 PolarHBondContact O-N 2.99Å; L1581-I1585 HydrophobicContact CD1-CD1 4.26Å; L1581-I1585 HydrophobicContact CD1-CG1 4.43Å; L1581-I1585 HydrophobicContact CD2-CD1 4.49Å; L1581-I1585 HydrophobicContact CG-CD1 3.87Å; L1581-I1585 HydrophobicContact CG-CG1 4.45Å; L1581-I1585 WeakPolarHBondContact O-CB 3.28Å; L1581-I1585 VanDerWaalsContact O-CG1 3.23Å; L1581-I1585 WeakPolarHBondContact O-CG1 3.36Å; L1581-I1585 PolarHBondContact O-N 3.09Å; L1581-Y1597 HydrophobicContact CD2-CE1 4.32Å
1582A94.7Very high91.9Very high0 Ų028.5 Ų28.50%014%0.141CC..Hα-helixtrans-63.2-41.8176.500000112.3K1578 F1579 I1585 L1586 C1594 Y1597K1578-A1582 WeakPolarHBondContact O-CB 3.46Å; K1578-A1582 PolarHBondContact O-N 3.22Å; F1579-A1582 WeakPolarHBondContact O-CB 3.44Å; F1579-A1582 PolarHBondContact O-N 3.47Å; A1582-I1585 PolarHBondContact O-N 2.82Å; A1582-L1586 PolarHBondContact O-N 2.79Å; A1582-C1594 PolarHBondContact O-SG 3.45Å; A1582-Y1597 HydrophobicContact CB-CG 4.13Å
1583T93.8Very high91.7Very high26 Ų2630.6 Ų30.616%0.1615%0.145CC..Hα-helixtrans-65.5-42.3174.354.30000111.8F1579 L1580 I1585 L1586 D1587 L1623F1579-T1583 HydrophobicContact CD1-CG2 4.43Å; F1579-T1583 HydrophobicContact CE1-CG2 4.01Å; F1579-T1583 HydrophobicContact CZ-CG2 4.18Å; F1579-T1583 PolarHBondContact O-N 3.16Å; F1579-T1583 PolarHBondContact O-OG1 3.3Å; L1580-T1583 PolarHBondContact O-OG1 2.74Å; T1583-I1585 PolarHBondContact O-N 2.88Å; T1583-L1586 WeakPolarHBondContact O-CB 3.37Å; T1583-L1586 PolarHBondContact O-N 3.24Å; T1583-L1586 VanDerWaalsContact O-N 3.15Å; T1583-D1587 PolarHBondContact O-N 2.61Å; T1583-L1623 HydrophobicContact CG2-CD2 3.89Å
1584R92.6Very high91.7Very high42 Ų4228 Ų2816%0.15813%0.133CC..Hα-helixtrans-60.6-43.1172.7-69.7169.8179.9170.81.1112A1547 N1549 L1580 L1581 L1586 D1587 Y1588A1547-R1584 VanDerWaalsContact O-CZ 3.31Å; A1547-R1584 PolarHBondContact O-NH1 3.1Å; A1547-R1584 PolarHBondContact O-NH2 3.32Å; N1549-R1584 WeakPolarHBondContact OD1-CD 3.42Å; N1549-R1584 PolarHBondContact OD1-NH1 2.77Å; L1580-R1584 VanDerWaalsContact O-CG 3.28Å; L1580-R1584 WeakPolarHBondContact O-CG 3.46Å; L1580-R1584 PolarHBondContact O-N 3.17Å; L1580-R1584 VanDerWaalsContact O-N 3.11Å; L1581-R1584 PolarHBondContact O-N 2.99Å; R1584-L1586 VanDerWaalsContact C-N 3.28Å; R1584-L1586 PolarHBondContact O-N 3.14Å; R1584-D1587 WeakPolarHBondContact O-CB 3.45Å; R1584-D1587 PolarHBondContact O-N 2.95Å; R1584-D1587 VanDerWaalsContact O-N 3.16Å; R1584-Y1588 VanDerWaalsContact O-CD2 3.25Å; R1584-Y1588 WeakPolarHBondContact O-CD2 3.42Å; R1584-Y1588 PolarHBondContact O-N 3.4Å
1585I91.7Very high91.4Very high4 Ų428.4 Ų28.42%0.02114%0.136CC..Hα-helixtrans-61.1-37.4175.3-76171.7000111.2L1218 L1581 A1582 T1583 Y1588 Q1590 R1593 C1594 Y1597L1218-I1585 HydrophobicContact CD1-CG1 4.17Å; L1218-I1585 HydrophobicContact CD2-CD1 4.46Å; L1218-I1585 HydrophobicContact CD2-CG1 4.03Å; L1581-I1585 HydrophobicContact CD1-CD1 4.26Å; L1581-I1585 HydrophobicContact CD1-CG1 4.43Å; L1581-I1585 HydrophobicContact CD2-CD1 4.49Å; L1581-I1585 HydrophobicContact CG-CD1 3.87Å; L1581-I1585 HydrophobicContact CG-CG1 4.45Å; L1581-I1585 WeakPolarHBondContact O-CB 3.28Å; L1581-I1585 VanDerWaalsContact O-CG1 3.23Å; L1581-I1585 WeakPolarHBondContact O-CG1 3.36Å; L1581-I1585 PolarHBondContact O-N 3.09Å; A1582-I1585 PolarHBondContact O-N 2.82Å; T1583-I1585 PolarHBondContact O-N 2.88Å; I1585-Y1588 PolarHBondContact O-N 3.28Å; I1585-Q1590 HydrophobicContact CG2-CB 3.71Å; I1585-Q1590 WeakPolarHBondContact O-CB 3.45Å; I1585-Q1590 PolarHBondContact O-N 2.85Å; I1585-R1593 HydrophobicContact CG2-CB 3.8Å; I1585-C1594 HydrophobicContact CG2-CB 4.43Å; I1585-Y1597 HydrophobicContact CD1-CD2 3.95Å; I1585-Y1597 HydrophobicContact CD1-CE2 3.45Å; I1585-Y1597 VanDerWaalsContact CD1-CE2 3.45Å
1586L90.2Very high91.2Very high3 Ų329.9 Ų29.92%0.01614%0.144CC..Hα-helixtrans-62.2-46.3172179.459.3000111.4S1184 A1582 T1583 R1584 Y1588 G1589 C1594 L1623 L1627S1184-L1586 WeakPolarHBondContact CB-O 3.42Å; A1582-L1586 PolarHBondContact O-N 2.79Å; T1583-L1586 WeakPolarHBondContact O-CB 3.37Å; T1583-L1586 PolarHBondContact O-N 3.24Å; T1583-L1586 VanDerWaalsContact O-N 3.15Å; R1584-L1586 VanDerWaalsContact C-N 3.28Å; R1584-L1586 PolarHBondContact O-N 3.14Å; L1586-Y1588 PolarHBondContact O-N 3.28Å; L1586-Y1588 VanDerWaalsContact O-N 3.11Å; L1586-G1589 WeakPolarHBondContact O-CA 3.47Å; L1586-G1589 PolarHBondContact O-N 2.86Å; L1586-C1594 HydrophobicContact CB-CB 4.14Å; L1586-L1623 HydrophobicContact CD2-CD1 4.14Å; L1586-L1627 HydrophobicContact CD1-CD2 3.72Å; L1586-L1627 HydrophobicContact CD2-CD1 4.42Å; L1586-L1627 HydrophobicContact CD2-CD2 4.14Å
1587D89.2Confident91.2Very high82 Ų8227.7 Ų27.744%0.43913%0.134SC..Hα-helixtrans-56.4-30.1-180-62.5-37.6000113.2T1583 R1584 G1589T1583-D1587 PolarHBondContact O-N 2.61Å; R1584-D1587 WeakPolarHBondContact O-CB 3.45Å; R1584-D1587 PolarHBondContact O-N 2.95Å; R1584-D1587 VanDerWaalsContact O-N 3.16Å; D1587-G1589 VanDerWaalsContact C-N 3.27Å; D1587-G1589 PolarHBondContact O-N 3.13Å
1588Y88.2Confident91Very high49 Ų4927 Ų2719%0.19213%0.131CC..THydrogen-bonded Turntrans-82.612.6172.6-73-80.2000114.9I1210 D1212 T1214 L1218 R1584 I1585 L1586I1210-Y1588 HydrophobicContact CB-CD1 4.1Å; I1210-Y1588 HydrophobicContact CB-CE1 3.73Å; I1210-Y1588 HydrophobicContact CD1-CE1 4.34Å; I1210-Y1588 HydrophobicContact CG2-CD1 4.37Å; I1210-Y1588 HydrophobicContact CG2-CE1 3.51Å; D1212-Y1588 WeakPolarHBondContact OD1-CE1 3.34Å; D1212-Y1588 PolarHBondContact OD1-OH 3.36Å; T1214-Y1588 WeakPolarHBondContact CB-OH 3.39Å; T1214-Y1588 HydrophobicContact CG2-CE2 3.83Å; L1218-Y1588 HydrophobicContact CD1-CD2 3.56Å; L1218-Y1588 HydrophobicContact CD1-CE2 3.84Å; L1218-Y1588 HydrophobicContact CD1-CG 4.43Å; R1584-Y1588 VanDerWaalsContact O-CD2 3.25Å; R1584-Y1588 WeakPolarHBondContact O-CD2 3.42Å; R1584-Y1588 PolarHBondContact O-N 3.4Å; I1585-Y1588 PolarHBondContact O-N 3.28Å; L1586-Y1588 PolarHBondContact O-N 3.28Å; L1586-Y1588 VanDerWaalsContact O-N 3.11Å
1589G84.9Confident90.8Very high22 Ų2228.7 Ų28.723%0.22714%0.139CC..THydrogen-bonded Turntrans82.93.4176.900000115.6S1184 L1586 D1587 H1591S1184-G1589 WeakPolarHBondContact OG-CA 3.26Å; L1586-G1589 WeakPolarHBondContact O-CA 3.47Å; L1586-G1589 PolarHBondContact O-N 2.86Å; D1587-G1589 VanDerWaalsContact C-N 3.27Å; D1587-G1589 PolarHBondContact O-N 3.13Å; G1589-H1591 VanDerWaalsContact C-N 3.27Å; G1589-H1591 PolarHBondContact O-CE1 2.82Å; G1589-H1591 PolarHBondContact O-N 3.34Å; G1589-H1591 PolarHBondContact O-ND1 3.01Å
1590Q86.9Confident90.6Very high34 Ų3428.6 Ų28.616%0.15914%0.139CC..  trans-89.951.5-168.5-56.9-177.953.100112.9I1585 F1592 R1593 C1594I1585-Q1590 HydrophobicContact CG2-CB 3.71Å; I1585-Q1590 WeakPolarHBondContact O-CB 3.45Å; I1585-Q1590 PolarHBondContact O-N 2.85Å; Q1590-F1592 VanDerWaalsContact C-N 3.32Å; Q1590-F1592 PolarHBondContact O-N 2.64Å; Q1590-F1592 VanDerWaalsContact O-N 3.16Å; Q1590-R1593 HydrophobicContact CB-CB 4.39Å; Q1590-R1593 PolarHBondContact O-N 2.94Å; Q1590-R1593 VanDerWaalsContact OE1-CD 3.31Å; Q1590-C1594 PolarHBondContact O-N 2.82Å; Q1590-C1594 VanDerWaalsContact O-N 3.08Å
1591H86.3Confident90.5Very high42 Ų4227.5 Ų27.519%0.19413%0.133CC..Hα-helixtrans-42.9-50.6-176.8-58.284.4000114S1184 G1589 R1593 C1594 T1595 H1630S1184-H1591 PolarHBondContact OG-NE2 3.05Å; G1589-H1591 VanDerWaalsContact C-N 3.27Å; G1589-H1591 PolarHBondContact O-CE1 2.82Å; G1589-H1591 PolarHBondContact O-N 3.34Å; G1589-H1591 PolarHBondContact O-ND1 3.01Å; H1591-R1593 PolarHBondContact O-N 3.49Å; H1591-C1594 WeakPolarHBondContact O-CB 3.41Å; H1591-C1594 PolarHBondContact O-N 2.9Å; H1591-C1594 VanDerWaalsContact O-N 3.13Å; H1591-T1595 PolarHBondContact O-N 3.25Å; H1591-T1595 PolarHBondContact O-OG1 2.86Å; H1591-H1630 HydrophobicContact CB-CB 3.9Å; H1591-H1630 AromaticContact CD2-CE1 3.85Å; H1591-H1630 AromaticContact CD2-CG 3.46Å; H1591-H1630 VanDerWaalsContact CD2-CG 3.46Å; H1591-H1630 AromaticContact CD2-ND1 3.11Å; H1591-H1630 PolarHBondContact CD2-ND1 3.18Å; H1591-H1630 AromaticContact CG-ND1 3.93Å
1592F85.6Confident90.4Very high115 Ų11527.8 Ų27.850%0.50414%0.135SC..Hα-helixtrans-60.3-42.1-178.5-179.9-106.8000113Q1590 T1595 N1596Q1590-F1592 VanDerWaalsContact C-N 3.32Å; Q1590-F1592 PolarHBondContact O-N 2.64Å; Q1590-F1592 VanDerWaalsContact O-N 3.16Å; F1592-T1595 PolarHBondContact O-N 3.29Å; F1592-N1596 WeakPolarHBondContact CD1-ND2 3.18Å; F1592-N1596 WeakPolarHBondContact CE1-ND2 3.47Å; F1592-N1596 WeakPolarHBondContact CZ-ND2 3.44Å; F1592-N1596 PolarHBondContact O-N 3.28Å; F1592-N1596 PolarHBondContact O-ND2 2.94Å; F1592-N1596 VanDerWaalsContact O-ND2 3.15Å
1593R87.3Confident90.1Very high61 Ų6133.1 Ų33.123%0.2316%0.155CC..Hα-helixtrans-65.8-42.3174-83.3179.8168.1171.4-11.3111.2L1218 R1219 Y1221 G1223 I1585 Q1590 H1591 T1595 N1596 Y1597L1218-R1593 PolarHBondContact O-NH1 2.88Å; R1219-R1593 PolarHBondContact O-NH1 3.44Å; R1219-R1593 PolarHBondContact O-NH2 2.84Å; Y1221-R1593 PolarHBondContact O-NH2 2.96Å; G1223-R1593 PolarHBondContact O-NE 3.49Å; I1585-R1593 HydrophobicContact CG2-CB 3.8Å; Q1590-R1593 HydrophobicContact CB-CB 4.39Å; Q1590-R1593 PolarHBondContact O-N 2.94Å; Q1590-R1593 VanDerWaalsContact OE1-CD 3.31Å; H1591-R1593 PolarHBondContact O-N 3.49Å; R1593-T1595 PolarHBondContact O-N 2.92Å; R1593-N1596 PolarHBondContact O-N 2.82Å; R1593-Y1597 WeakPolarHBondContact O-CD2 3.46Å; R1593-Y1597 PolarHBondContact O-N 3.34Å
1594C91.4Very high90Very high0 Ų033 Ų330%015%0.153CC..Hα-helixtrans-57.8-48.1175-177.60000111.8A1582 I1585 L1586 Q1590 H1591 N1596 Y1597 L1598 L1627A1582-C1594 PolarHBondContact O-SG 3.45Å; I1585-C1594 HydrophobicContact CG2-CB 4.43Å; L1586-C1594 HydrophobicContact CB-CB 4.14Å; Q1590-C1594 PolarHBondContact O-N 2.82Å; Q1590-C1594 VanDerWaalsContact O-N 3.08Å; H1591-C1594 WeakPolarHBondContact O-CB 3.41Å; H1591-C1594 PolarHBondContact O-N 2.9Å; H1591-C1594 VanDerWaalsContact O-N 3.13Å; C1594-N1596 VanDerWaalsContact C-N 3.31Å; C1594-N1596 PolarHBondContact O-N 2.77Å; C1594-Y1597 WeakPolarHBondContact O-CB 3.44Å; C1594-Y1597 PolarHBondContact O-N 3.32Å; C1594-Y1597 VanDerWaalsContact O-N 3.11Å; C1594-L1598 WeakPolarHBondContact O-CG 3.45Å; C1594-L1598 PolarHBondContact O-N 2.83Å; C1594-L1627 HydrophobicContact CB-CD1 4.28Å; C1594-L1627 VanDerWaalsContact SG-CD1 3.51Å
1595T89.6Confident90Very high12 Ų1231 Ų317%0.07415%0.146CC..Hα-helixtrans-58.9-40.9176.4-58.70000112H1591 F1592 R1593 Y1597 L1598 E1599 W1659H1591-T1595 PolarHBondContact O-N 3.25Å; H1591-T1595 PolarHBondContact O-OG1 2.86Å; F1592-T1595 PolarHBondContact O-N 3.29Å; R1593-T1595 PolarHBondContact O-N 2.92Å; T1595-Y1597 VanDerWaalsContact C-N 3.34Å; T1595-Y1597 PolarHBondContact O-N 2.93Å; T1595-L1598 PolarHBondContact O-N 2.77Å; T1595-E1599 PolarHBondContact O-N 3.3Å; T1595-W1659 HydrophobicContact CG2-CZ2 4.39Å
1596N89.4Confident89.9Confident30 Ų3035 Ų3516%0.1616%0.164CC..Hα-helixtrans-67.2-31.5176.5-64.8-24.7000112.9P1224 Q1226 F1592 R1593 C1594 Q1600P1224-N1596 HydrophobicContact CG-CB 3.52Å; Q1226-N1596 PolarHBondContact NE2-O 2.92Å; F1592-N1596 WeakPolarHBondContact CD1-ND2 3.18Å; F1592-N1596 WeakPolarHBondContact CE1-ND2 3.47Å; F1592-N1596 WeakPolarHBondContact CZ-ND2 3.44Å; F1592-N1596 PolarHBondContact O-N 3.28Å; F1592-N1596 PolarHBondContact O-ND2 2.94Å; F1592-N1596 VanDerWaalsContact O-ND2 3.15Å; R1593-N1596 PolarHBondContact O-N 2.82Å; C1594-N1596 VanDerWaalsContact C-N 3.31Å; C1594-N1596 PolarHBondContact O-N 2.77Å; N1596-Q1600 PolarHBondContact O-N 3.27Å; N1596-Q1600 VanDerWaalsContact O-N 3.15Å
1597Y94Very high89.8Confident1 Ų139.1 Ų39.10%0.00419%0.186CC..Hα-helixtrans-66.4-45.5170.7-93.7-77.8000111.5Y1221 P1224 E1556 K1578 L1581 A1582 I1585 R1593 C1594 T1595 E1599 Q1600 I1601Y1221-Y1597 VanDerWaalsContact CE1-OH 3.3Å; Y1221-Y1597 WeakPolarHBondContact CE1-OH 3.47Å; P1224-Y1597 HydrophobicContact CB-CD1 3.87Å; P1224-Y1597 HydrophobicContact CB-CD2 3.8Å; P1224-Y1597 HydrophobicContact CB-CE1 3.77Å; P1224-Y1597 HydrophobicContact CB-CE2 3.69Å; P1224-Y1597 HydrophobicContact CB-CG 3.87Å; P1224-Y1597 HydrophobicContact CG-CD2 4.08Å; P1224-Y1597 HydrophobicContact CG-CE2 4.2Å; P1224-Y1597 HydrophobicContact CG-CG 4.38Å; E1556-Y1597 WeakPolarHBondContact OE1-CE1 3.49Å; E1556-Y1597 PolarHBondContact OE1-OH 2.75Å; E1556-Y1597 WeakPolarHBondContact OE2-CE1 3.49Å; E1556-Y1597 PolarHBondContact OE2-OH 3.26Å; K1578-Y1597 HydrophobicContact CB-CD1 4.45Å; L1581-Y1597 HydrophobicContact CD2-CE1 4.32Å; A1582-Y1597 HydrophobicContact CB-CG 4.13Å; I1585-Y1597 HydrophobicContact CD1-CD2 3.95Å; I1585-Y1597 HydrophobicContact CD1-CE2 3.45Å; I1585-Y1597 VanDerWaalsContact CD1-CE2 3.45Å; R1593-Y1597 WeakPolarHBondContact O-CD2 3.46Å; R1593-Y1597 PolarHBondContact O-N 3.34Å; C1594-Y1597 WeakPolarHBondContact O-CB 3.44Å; C1594-Y1597 PolarHBondContact O-N 3.32Å; C1594-Y1597 VanDerWaalsContact O-N 3.11Å; T1595-Y1597 VanDerWaalsContact C-N 3.34Å; T1595-Y1597 PolarHBondContact O-N 2.93Å; Y1597-E1599 VanDerWaalsContact C-N 3.31Å; Y1597-E1599 PolarHBondContact O-N 2.82Å; Y1597-Q1600 PolarHBondContact O-N 2.86Å; Y1597-Q1600 VanDerWaalsContact O-N 3.14Å; Y1597-I1601 VanDerWaalsContact O-CG1 3.28Å; Y1597-I1601 WeakPolarHBondContact O-CG1 3.45Å; Y1597-I1601 PolarHBondContact O-N 2.89Å
1598L93.7Very high89.8Confident0 Ų039.1 Ų39.10%018%0.182CC..Hα-helixtrans-63.7-37.8179-63170.9000111.6F1579 C1594 T1595 I1601 A1602 V1620 L1623 A1624 L1627 W1659F1579-L1598 HydrophobicContact CD2-CD2 3.68Å; F1579-L1598 HydrophobicContact CE2-CD2 3.75Å; C1594-L1598 WeakPolarHBondContact O-CG 3.45Å; C1594-L1598 PolarHBondContact O-N 2.83Å; T1595-L1598 PolarHBondContact O-N 2.77Å; L1598-I1601 PolarHBondContact O-N 3.15Å; L1598-A1602 WeakPolarHBondContact O-CB 3.42Å; L1598-A1602 PolarHBondContact O-N 2.91Å; L1598-V1620 HydrophobicContact CD2-CG1 3.93Å; L1598-L1623 HydrophobicContact CD1-CB 4.25Å; L1598-L1623 HydrophobicContact CD1-CD2 4.05Å; L1598-L1623 HydrophobicContact CD1-CG 3.88Å; L1598-L1623 HydrophobicContact CD2-CD2 4.22Å; L1598-A1624 HydrophobicContact CD1-CB 4.22Å; L1598-L1627 HydrophobicContact CD1-CD1 3.62Å; L1598-W1659 HydrophobicContact CB-CH2 4.03Å
1599E91Very high89.7Confident36 Ų3638.5 Ų38.517%0.16818%0.184CC..Hα-helixtrans-61.5-42.7171.4-179.7163.217000112.2T1595 Y1597 A1602 R1603 W1659T1595-E1599 PolarHBondContact O-N 3.3Å; Y1597-E1599 VanDerWaalsContact C-N 3.31Å; Y1597-E1599 PolarHBondContact O-N 2.82Å; E1599-A1602 PolarHBondContact O-N 3.18Å; E1599-R1603 WeakPolarHBondContact O-CG 3.48Å; E1599-R1603 PolarHBondContact O-N 2.7Å; E1599-R1603 IonicContact OE1-CZ 3.28Å; E1599-R1603 IonicContact OE1-NE 3.44Å; E1599-R1603 IonicContact OE1-NH2 3.7Å; E1599-R1603 PolarHBondContact OE1-NH2 2.87Å; E1599-W1659 HydrophobicContact CB-CD2 4.04Å; E1599-W1659 HydrophobicContact CB-CG 4.44Å; E1599-W1659 HydrophobicContact CB-CH2 4.27Å; E1599-W1659 HydrophobicContact CB-CZ2 3.68Å; E1599-W1659 HydrophobicContact CG-CD2 3.97Å; E1599-W1659 HydrophobicContact CG-CG 3.84Å; E1599-W1659 HydrophobicContact CG-CZ2 4.39Å; E1599-W1659 PolarHBondContact OE2-NE1 2.81Å
1600Q90.5Very high89.9Confident18 Ų1844.7 Ų44.78%0.08421%0.207CC..Hα-helixtrans-66.4-44.7176.6-176.1167.6-1.400111.8L1225 N1596 Y1597 A1602 R1603 H1604L1225-Q1600 PolarHBondContact O-NE2 3.01Å; L1225-Q1600 PolarHBondContact O-OE1 3.45Å; N1596-Q1600 PolarHBondContact O-N 3.27Å; N1596-Q1600 VanDerWaalsContact O-N 3.15Å; Y1597-Q1600 PolarHBondContact O-N 2.86Å; Y1597-Q1600 VanDerWaalsContact O-N 3.14Å; Q1600-A1602 VanDerWaalsContact C-N 3.32Å; Q1600-A1602 PolarHBondContact O-N 3.34Å; Q1600-R1603 PolarHBondContact O-N 3.02Å; Q1600-H1604 PolarHBondContact O-N 3.44Å; Q1600-H1604 VanDerWaalsContact O-N 3.1Å; Q1600-H1604 PolarHBondContact O-ND1 2.79Å
1601I94.1Very high90Very high0 Ų044.4 Ų44.40%021%0.209CC..Hα-helixtrans-60.3-42.5176.8-67.7161.5000110.3Q1575 K1578 F1579 Y1597 L1598 R1603 H1604 I1605 F1616 V1620Q1575-I1601 HydrophobicContact CB-CG2 4.41Å; K1578-I1601 HydrophobicContact CB-CD1 3.86Å; K1578-I1601 HydrophobicContact CB-CG1 4.03Å; K1578-I1601 HydrophobicContact CD-CG1 4.5Å; F1579-I1601 HydrophobicContact CB-CD1 4.13Å; Y1597-I1601 VanDerWaalsContact O-CG1 3.28Å; Y1597-I1601 WeakPolarHBondContact O-CG1 3.45Å; Y1597-I1601 PolarHBondContact O-N 2.89Å; L1598-I1601 PolarHBondContact O-N 3.15Å; I1601-R1603 VanDerWaalsContact C-N 3.32Å; I1601-R1603 PolarHBondContact O-N 3.34Å; I1601-H1604 CarbonylContact O-C 3.51Å; I1601-H1604 WeakPolarHBondContact O-CA 3.41Å; I1601-H1604 PolarHBondContact O-N 3.21Å; I1601-I1605 HydrophobicContact CG2-CD1 3.88Å; I1601-I1605 HydrophobicContact CG2-CG1 4.37Å; I1601-I1605 WeakPolarHBondContact O-CG1 3.49Å; I1601-I1605 PolarHBondContact O-N 3.46Å; I1601-F1616 HydrophobicContact CG2-CE1 4.14Å; I1601-F1616 HydrophobicContact CG2-CZ 4.07Å; I1601-V1620 HydrophobicContact CG2-CG1 4.11Å; I1601-V1620 HydrophobicContact CG2-CG2 3.98Å
1602A93Very high90.2Very high6 Ų642.9 Ų42.95%0.0520%0.201CC..Hα-helixtrans-56.8-43.9176.500000112.4L1598 E1599 Q1600 H1604 I1605 E1606 W1659 L1663L1598-A1602 WeakPolarHBondContact O-CB 3.42Å; L1598-A1602 PolarHBondContact O-N 2.91Å; E1599-A1602 PolarHBondContact O-N 3.18Å; Q1600-A1602 VanDerWaalsContact C-N 3.32Å; Q1600-A1602 PolarHBondContact O-N 3.34Å; A1602-H1604 VanDerWaalsContact C-N 3.31Å; A1602-H1604 PolarHBondContact O-N 2.79Å; A1602-I1605 WeakPolarHBondContact O-CB 3.36Å; A1602-I1605 PolarHBondContact O-N 2.96Å; A1602-E1606 WeakPolarHBondContact O-CB 3.37Å; A1602-E1606 PolarHBondContact O-N 3.45Å; A1602-W1659 HydrophobicContact CB-CE3 3.6Å; A1602-W1659 HydrophobicContact CB-CZ3 3.96Å; A1602-L1663 HydrophobicContact CB-CB 4.32Å; A1602-L1663 HydrophobicContact CB-CD1 4.22Å; A1602-L1663 HydrophobicContact CB-CD2 4.14Å; A1602-L1663 HydrophobicContact CB-CG 4.46Å
1603R89.6Confident90.4Very high112 Ų11241 Ų4142%0.42320%0.197SC..Hα-helixtrans-66.7-29174.5-62174.4-167.7-174.53.7113.1E1599 Q1600 I1601 L1607E1599-R1603 WeakPolarHBondContact O-CG 3.48Å; E1599-R1603 PolarHBondContact O-N 2.7Å; E1599-R1603 IonicContact OE1-CZ 3.28Å; E1599-R1603 IonicContact OE1-NE 3.44Å; E1599-R1603 IonicContact OE1-NH2 3.7Å; E1599-R1603 PolarHBondContact OE1-NH2 2.87Å; Q1600-R1603 PolarHBondContact O-N 3.02Å; I1601-R1603 VanDerWaalsContact C-N 3.32Å; I1601-R1603 PolarHBondContact O-N 3.34Å; R1603-L1607 WeakPolarHBondContact O-CG 3.33Å; R1603-L1607 PolarHBondContact O-N 3.39Å
1604H90.8Very high90.4Very high25 Ų2539.4 Ų39.412%0.11620%0.195CC..Hα-helixtrans-77.9-27.3175-69.452.6000112S1570 Q1575 Q1600 I1601 A1602 Y1612S1570-H1604 PolarHBondContact OG-CD2 3.23Å; Q1575-H1604 HydrophobicContact CG-CB 4.03Å; Q1575-H1604 PolarHBondContact OE1-CD2 2.87Å; Q1600-H1604 PolarHBondContact O-N 3.44Å; Q1600-H1604 VanDerWaalsContact O-N 3.1Å; Q1600-H1604 PolarHBondContact O-ND1 2.79Å; I1601-H1604 CarbonylContact O-C 3.51Å; I1601-H1604 WeakPolarHBondContact O-CA 3.41Å; I1601-H1604 PolarHBondContact O-N 3.21Å; A1602-H1604 VanDerWaalsContact C-N 3.31Å; A1602-H1604 PolarHBondContact O-N 2.79Å; H1604-Y1612 WeakPolarHBondContact O-CE2 3.23Å; H1604-Y1612 PolarHBondContact O-OH 3.32Å
1605I93.2Very high90.4Very high0 Ų044.6 Ų44.60%022%0.223CC..Hα-helixtrans-69.5-48.2169-66.2166.4000110.1I1601 A1602 L1607 K1608 P1609 Y1612 F1616 I1617 V1620 L1663 L1666I1601-I1605 HydrophobicContact CG2-CD1 3.88Å; I1601-I1605 HydrophobicContact CG2-CG1 4.37Å; I1601-I1605 WeakPolarHBondContact O-CG1 3.49Å; I1601-I1605 PolarHBondContact O-N 3.46Å; A1602-I1605 WeakPolarHBondContact O-CB 3.36Å; A1602-I1605 PolarHBondContact O-N 2.96Å; I1605-L1607 VanDerWaalsContact C-N 3.26Å; I1605-L1607 PolarHBondContact O-N 3.08Å; I1605-K1608 CarbonylContact O-C 3.57Å; I1605-K1608 VanDerWaalsContact O-C 3.3Å; I1605-K1608 PolarHBondContact O-N 2.83Å; I1605-K1608 VanDerWaalsContact O-N 3.16Å; I1605-P1609 WeakPolarHBondContact O-CA 3.38Å; I1605-P1609 WeakPolarHBondContact O-CD 3.33Å; I1605-P1609 WeakPolarHBondContact O-CG 3.22Å; I1605-Y1612 VanDerWaalsContact CA-CE2 3.48Å; I1605-Y1612 HydrophobicContact CB-CD2 4.25Å; I1605-Y1612 HydrophobicContact CB-CE2 4.29Å; I1605-Y1612 HydrophobicContact CG1-CD1 4.26Å; I1605-Y1612 HydrophobicContact CG1-CD2 4.03Å; I1605-Y1612 HydrophobicContact CG1-CE1 4.33Å; I1605-Y1612 HydrophobicContact CG1-CE2 4.13Å; I1605-Y1612 HydrophobicContact CG1-CG 4.1Å; I1605-Y1612 HydrophobicContact CG2-CD2 4.21Å; I1605-F1616 HydrophobicContact CD1-CD1 4.31Å; I1605-F1616 HydrophobicContact CD1-CE1 4.04Å; I1605-F1616 HydrophobicContact CG1-CE1 4.47Å; I1605-I1617 HydrophobicContact CD1-CG1 4.46Å; I1605-I1617 HydrophobicContact CG2-CD1 4.01Å; I1605-I1617 HydrophobicContact CG2-CG1 4.06Å; I1605-I1617 HydrophobicContact CG2-CG2 4.47Å; I1605-V1620 HydrophobicContact CD1-CG2 4.25Å; I1605-L1663 HydrophobicContact CD1-CD1 4.06Å; I1605-L1666 HydrophobicContact CG2-CD1 4.18Å
1606E90Very high90.6Very high88 Ų8844.2 Ų44.241%0.41122%0.22SC..Hα-helixtrans-53.1-39.2177.2-176.3-170.4175.400113.4A1602 K1608 P1609 Q1662A1602-E1606 WeakPolarHBondContact O-CB 3.37Å; A1602-E1606 PolarHBondContact O-N 3.45Å; E1606-K1608 VanDerWaalsContact C-N 3.35Å; E1606-K1608 PolarHBondContact O-N 2.72Å; E1606-P1609 WeakPolarHBondContact O-CD 3.37Å; E1606-Q1662 PolarHBondContact OE1-NE2 3.33Å
1607L88Confident90.9Very high89 Ų8942.9 Ų42.947%0.46621%0.212SC..THydrogen-bonded Turntrans-68.2-27.2-178.8-77.3170.8000114.6R1603 I1605R1603-L1607 WeakPolarHBondContact O-CG 3.33Å; R1603-L1607 PolarHBondContact O-N 3.39Å; I1605-L1607 VanDerWaalsContact C-N 3.26Å; I1605-L1607 PolarHBondContact O-N 3.08Å
1608K87.8Confident90.8Very high81 Ų8146.7 Ų46.735%0.35223%0.231SC..  trans-153.364.1-177.1-65.7-175-174.71680112I1605 E1606 E1610 S1611 Y1612I1605-K1608 CarbonylContact O-C 3.57Å; I1605-K1608 VanDerWaalsContact O-C 3.3Å; I1605-K1608 PolarHBondContact O-N 2.83Å; I1605-K1608 VanDerWaalsContact O-N 3.16Å; E1606-K1608 VanDerWaalsContact C-N 3.35Å; E1606-K1608 PolarHBondContact O-N 2.72Å; K1608-E1610 WeakPolarHBondContact CA-OE1 3.29Å; K1608-E1610 WeakPolarHBondContact CB-OE1 3.43Å; K1608-E1610 PolarHBondContact O-N 2.86Å; K1608-E1610 VanDerWaalsContact O-N 3.14Å; K1608-S1611 WeakPolarHBondContact CB-OG 3.36Å; K1608-S1611 PolarHBondContact O-N 2.95Å; K1608-S1611 PolarHBondContact O-OG 2.96Å; K1608-Y1612 WeakPolarHBondContact O-CD2 3.08Å; K1608-Y1612 VanDerWaalsContact O-CE2 3.23Å; K1608-Y1612 WeakPolarHBondContact O-CE2 3.25Å
1609P87.2Confident90.8Very high36 Ų3651.6 Ų51.623%0.23425%0.249CC..G310 helixtrans-57.2-33.9-171.4-25.235.3000113.6I1605 E1606 S1611 Y1612 L1666I1605-P1609 WeakPolarHBondContact O-CA 3.38Å; I1605-P1609 WeakPolarHBondContact O-CD 3.33Å; I1605-P1609 WeakPolarHBondContact O-CG 3.22Å; E1606-P1609 WeakPolarHBondContact O-CD 3.37Å; P1609-S1611 PolarHBondContact O-N 3.32Å; P1609-Y1612 PolarHBondContact O-N 3.15Å; P1609-L1666 HydrophobicContact CB-CD2 4.37Å; P1609-L1666 HydrophobicContact CG-CD2 4.18Å
1610E87.7Confident91Very high152 Ų15249.9 Ų49.971%0.7124%0.241SC*.G310 helixtrans-64.6-11.7177.270.8-65.9151.800115.1K1608K1608-E1610 WeakPolarHBondContact CA-OE1 3.29Å; K1608-E1610 WeakPolarHBondContact CB-OE1 3.43Å; K1608-E1610 PolarHBondContact O-N 2.86Å; K1608-E1610 VanDerWaalsContact O-N 3.14Å
1611S89.4Confident91.1Very high29 Ų2949.3 Ų49.320%0.20324%0.239CC..G310 helixtrans-90.8-2.3178.368.80000114.5K1608 P1609K1608-S1611 WeakPolarHBondContact CB-OG 3.36Å; K1608-S1611 PolarHBondContact O-N 2.95Å; K1608-S1611 PolarHBondContact O-OG 2.96Å; P1609-S1611 PolarHBondContact O-N 3.32Å
1612Y91.1Very high91.1Very high9 Ų950 Ų504%0.03525%0.246CC..SBendtrans-122.2142.5-175.5-54.2-83.5000112.9A1572 Q1575 H1604 I1605 K1608 P1609 F1616A1572-Y1612 HydrophobicContact CB-CE1 4.34Å; A1572-Y1612 VanDerWaalsContact O-CE1 3.29Å; A1572-Y1612 WeakPolarHBondContact O-CE1 3.3Å; Q1575-Y1612 HydrophobicContact CB-CE1 3.98Å; Q1575-Y1612 HydrophobicContact CG-CE1 3.78Å; Q1575-Y1612 WeakPolarHBondContact CG-OH 3.28Å; H1604-Y1612 WeakPolarHBondContact O-CE2 3.23Å; H1604-Y1612 PolarHBondContact O-OH 3.32Å; I1605-Y1612 VanDerWaalsContact CA-CE2 3.48Å; I1605-Y1612 HydrophobicContact CB-CD2 4.25Å; I1605-Y1612 HydrophobicContact CB-CE2 4.29Å; I1605-Y1612 HydrophobicContact CG1-CD1 4.26Å; I1605-Y1612 HydrophobicContact CG1-CD2 4.03Å; I1605-Y1612 HydrophobicContact CG1-CE1 4.33Å; I1605-Y1612 HydrophobicContact CG1-CE2 4.13Å; I1605-Y1612 HydrophobicContact CG1-CG 4.1Å; I1605-Y1612 HydrophobicContact CG2-CD2 4.21Å; K1608-Y1612 WeakPolarHBondContact O-CD2 3.08Å; K1608-Y1612 VanDerWaalsContact O-CE2 3.23Å; K1608-Y1612 WeakPolarHBondContact O-CE2 3.25Å; P1609-Y1612 PolarHBondContact O-N 3.15Å; Y1612-F1616 HydrophobicContact CD1-CD1 4.01Å; Y1612-F1616 HydrophobicContact CD1-CE1 4.07Å
1613D89.2Confident91Very high77 Ų7750.1 Ų50.141%0.41225%0.246SC..  trans-77138.2179.1-55.5-60.4000110.6R1514 N1615 F1616 I1617R1514-D1613 IonicContact CZ-OD2 2.97Å; R1514-D1613 IonicContact NH1-OD2 3.31Å; R1514-D1613 PolarHBondContact NH1-OD2 2.88Å; R1514-D1613 IonicContact NH2-OD2 2.72Å; D1613-N1615 PolarHBondContact O-N 3.13Å; D1613-N1615 VanDerWaalsContact O-N 3.13Å; D1613-F1616 WeakPolarHBondContact O-CA 3.48Å; D1613-F1616 VanDerWaalsContact O-CB 3.31Å; D1613-F1616 WeakPolarHBondContact O-CB 3.47Å; D1613-F1616 PolarHBondContact O-N 3.34Å; D1613-I1617 PolarHBondContact O-N 2.69Å
1614S87.6Confident91.1Very high27 Ų2744.9 Ų44.919%0.18923%0.226CC..Hα-helixtrans-52.3-41.8-175.6-153.80000113.5F1616 I1617 Q1618 Q1670S1614-F1616 PolarHBondContact O-N 2.72Å; S1614-I1617 PolarHBondContact O-N 3.27Å; S1614-I1617 VanDerWaalsContact O-N 3.15Å; S1614-Q1618 PolarHBondContact O-N 3.13Å; S1614-Q1670 PolarHBondContact OG-OE1 2.9Å
1615N91.1Very high91Very high109 Ų10945.6 Ų45.658%0.58323%0.23SC*.Hα-helixtrans-60.8-25.6175.4-72.3-76000113.7D1613 R1619D1613-N1615 PolarHBondContact O-N 3.13Å; D1613-N1615 VanDerWaalsContact O-N 3.13Å; N1615-R1619 WeakPolarHBondContact O-CB 3.43Å; N1615-R1619 VanDerWaalsContact O-CG 3.31Å; N1615-R1619 WeakPolarHBondContact O-CG 3.33Å; N1615-R1619 PolarHBondContact O-N 3.44Å; N1615-R1619 PolarHBondContact O-NE 3.34Å
1616F94.4Very high90.7Very high4 Ų448.1 Ų48.12%0.01824%0.239CC..Hα-helixtrans-75.6-49.3171.8180-113.1000110.8Q1575 H1576 F1579 I1601 I1605 Y1612 D1613 S1614 Q1618 R1619 V1620Q1575-F1616 HydrophobicContact CB-CE1 4.33Å; Q1575-F1616 HydrophobicContact CB-CZ 4.36Å; H1576-F1616 AromaticContact CD2-CD2 3.45Å; H1576-F1616 VanDerWaalsContact CD2-CD2 3.45Å; H1576-F1616 WeakPolarHBondContact CD2-CD2 3.18Å; H1576-F1616 AromaticContact CD2-CE2 3.74Å; H1576-F1616 AromaticContact CD2-CG 3.82Å; H1576-F1616 AromaticContact NE2-CD1 3.93Å; H1576-F1616 AromaticContact NE2-CD2 3.65Å; H1576-F1616 AromaticContact NE2-CG 3.48Å; H1576-F1616 WeakPolarHBondContact NE2-CG 3.37Å; F1579-F1616 HydrophobicContact CB-CE2 3.75Å; F1579-F1616 HydrophobicContact CB-CZ 4.05Å; F1579-F1616 HydrophobicContact CD1-CE2 4.35Å; F1579-F1616 AromaticContact CG-CE2 3.96Å; F1579-F1616 HydrophobicContact CG-CE2 3.96Å; I1601-F1616 HydrophobicContact CG2-CE1 4.14Å; I1601-F1616 HydrophobicContact CG2-CZ 4.07Å; I1605-F1616 HydrophobicContact CD1-CD1 4.31Å; I1605-F1616 HydrophobicContact CD1-CE1 4.04Å; I1605-F1616 HydrophobicContact CG1-CE1 4.47Å; Y1612-F1616 HydrophobicContact CD1-CD1 4.01Å; Y1612-F1616 HydrophobicContact CD1-CE1 4.07Å; D1613-F1616 WeakPolarHBondContact O-CA 3.48Å; D1613-F1616 VanDerWaalsContact O-CB 3.31Å; D1613-F1616 WeakPolarHBondContact O-CB 3.47Å; D1613-F1616 PolarHBondContact O-N 3.34Å; S1614-F1616 PolarHBondContact O-N 2.72Å; F1616-Q1618 VanDerWaalsContact C-N 3.3Å; F1616-Q1618 PolarHBondContact O-N 3.49Å; F1616-R1619 PolarHBondContact O-N 2.97Å; F1616-V1620 HydrophobicContact CD1-CG2 4.35Å; F1616-V1620 HydrophobicContact CD2-CG2 4.35Å; F1616-V1620 HydrophobicContact CE1-CG2 3.97Å; F1616-V1620 HydrophobicContact CE2-CG2 3.95Å; F1616-V1620 HydrophobicContact CZ-CG2 3.75Å; F1616-V1620 WeakPolarHBondContact O-CG2 3.16Å; F1616-V1620 PolarHBondContact O-N 3.02Å
1617I94.8Very high90.5Very high1 Ų144 Ų441%0.00522%0.22CC..Hα-helixtrans-55.6-46.2178.7-53.5179.1000110.6I1605 D1613 S1614 R1619 V1620 C1621 L1663 L1666 A1667I1605-I1617 HydrophobicContact CD1-CG1 4.46Å; I1605-I1617 HydrophobicContact CG2-CD1 4.01Å; I1605-I1617 HydrophobicContact CG2-CG1 4.06Å; I1605-I1617 HydrophobicContact CG2-CG2 4.47Å; D1613-I1617 PolarHBondContact O-N 2.69Å; S1614-I1617 PolarHBondContact O-N 3.27Å; S1614-I1617 VanDerWaalsContact O-N 3.15Å; I1617-R1619 PolarHBondContact O-N 3.37Å; I1617-V1620 PolarHBondContact O-N 3.21Å; I1617-C1621 WeakPolarHBondContact O-CB 3.41Å; I1617-C1621 PolarHBondContact O-N 3.14Å; I1617-L1663 HydrophobicContact CG2-CD1 3.84Å; I1617-L1666 HydrophobicContact CG2-CB 4.44Å; I1617-A1667 HydrophobicContact CG2-CB 4.05Å
1618Q93Very high90Very high82 Ų8244.3 Ų44.338%0.38322%0.215SC..Hα-helixtrans-63.5-36.2176.2-70.7-179.1-1.700113.4S1614 F1616 C1621 G1622 A1667S1614-Q1618 PolarHBondContact O-N 3.13Å; F1616-Q1618 VanDerWaalsContact C-N 3.3Å; F1616-Q1618 PolarHBondContact O-N 3.49Å; Q1618-C1621 PolarHBondContact O-N 3.18Å; Q1618-G1622 PolarHBondContact O-N 3.42Å; Q1618-A1667 HydrophobicContact CG-CB 4.21Å
1619R93.6Very high89.2Confident102 Ų10247 Ų4739%0.38522%0.224SC..Hα-helixtrans-70.5-36.7175.9-80.5178.6-69.8-179.23112.8F1579 N1615 F1616 I1617 L1623F1579-R1619 HydrophobicContact CZ-CB 4.32Å; N1615-R1619 WeakPolarHBondContact O-CB 3.43Å; N1615-R1619 VanDerWaalsContact O-CG 3.31Å; N1615-R1619 WeakPolarHBondContact O-CG 3.33Å; N1615-R1619 PolarHBondContact O-N 3.44Å; N1615-R1619 PolarHBondContact O-NE 3.34Å; F1616-R1619 PolarHBondContact O-N 2.97Å; I1617-R1619 PolarHBondContact O-N 3.37Å; R1619-L1623 WeakPolarHBondContact O-CB 3.38Å; R1619-L1623 PolarHBondContact O-N 2.72Å
1620V95Very high88.3Confident0 Ų047.2 Ų47.20%022%0.222CC..Hα-helixtrans-64.4-46171.7-177.80000109.9F1579 L1598 I1601 I1605 F1616 I1617 L1623 A1624 L1663F1579-V1620 HydrophobicContact CD2-CG2 3.86Å; F1579-V1620 HydrophobicContact CE2-CG2 4.13Å; L1598-V1620 HydrophobicContact CD2-CG1 3.93Å; I1601-V1620 HydrophobicContact CG2-CG1 4.11Å; I1601-V1620 HydrophobicContact CG2-CG2 3.98Å; I1605-V1620 HydrophobicContact CD1-CG2 4.25Å; F1616-V1620 HydrophobicContact CD1-CG2 4.35Å; F1616-V1620 HydrophobicContact CD2-CG2 4.35Å; F1616-V1620 HydrophobicContact CE1-CG2 3.97Å; F1616-V1620 HydrophobicContact CE2-CG2 3.95Å; F1616-V1620 HydrophobicContact CZ-CG2 3.75Å; F1616-V1620 WeakPolarHBondContact O-CG2 3.16Å; F1616-V1620 PolarHBondContact O-N 3.02Å; I1617-V1620 PolarHBondContact O-N 3.21Å; V1620-L1623 PolarHBondContact O-N 3.01Å; V1620-A1624 WeakPolarHBondContact O-CB 3.36Å; V1620-A1624 PolarHBondContact O-N 2.85Å; V1620-L1663 HydrophobicContact CB-CD2 4.25Å; V1620-L1663 HydrophobicContact CG1-CD2 3.73Å
1621C93.6Very high87.2Confident6 Ų640.7 Ų40.74%0.04119%0.192CC..Hα-helixtrans-61.9-54.7179.4-160.90000112I1617 Q1618 L1623 A1624 E1625 L1663 A1667I1617-C1621 WeakPolarHBondContact O-CB 3.41Å; I1617-C1621 PolarHBondContact O-N 3.14Å; Q1618-C1621 PolarHBondContact O-N 3.18Å; C1621-L1623 PolarHBondContact O-N 2.66Å; C1621-A1624 WeakPolarHBondContact O-CB 3.41Å; C1621-A1624 PolarHBondContact O-N 3.22Å; C1621-E1625 WeakPolarHBondContact O-CG 3.49Å; C1621-E1625 PolarHBondContact O-N 3.46Å; C1621-L1663 HydrophobicContact CB-CD2 4.02Å; C1621-L1663 HydrophobicContact CB-CG 4.14Å; C1621-A1667 HydrophobicContact CB-CB 4.49Å
1622G92.2Very high85.5Confident14 Ų1442.6 Ų42.614%0.14420%0.204CC..Hα-helixtrans-67.9-16.9-178.500000114.9Q1618 R1626Q1618-G1622 PolarHBondContact O-N 3.42Å; G1622-R1626 PolarHBondContact O-NE 3.37Å
1623L92.5Very high83.7Confident9 Ų947.5 Ų47.55%0.04723%0.229CC..Hα-helixtrans-81.3-43.6167-173.959.2000111.4F1579 T1583 L1586 L1598 R1619 V1620 C1621 E1625 R1626 L1627F1579-L1623 HydrophobicContact CE2-CB 4.31Å; F1579-L1623 HydrophobicContact CE2-CD2 3.69Å; F1579-L1623 HydrophobicContact CZ-CB 4.49Å; F1579-L1623 HydrophobicContact CZ-CD2 3.85Å; T1583-L1623 HydrophobicContact CG2-CD2 3.89Å; L1586-L1623 HydrophobicContact CD2-CD1 4.14Å; L1598-L1623 HydrophobicContact CD1-CB 4.25Å; L1598-L1623 HydrophobicContact CD1-CD2 4.05Å; L1598-L1623 HydrophobicContact CD1-CG 3.88Å; L1598-L1623 HydrophobicContact CD2-CD2 4.22Å; R1619-L1623 WeakPolarHBondContact O-CB 3.38Å; R1619-L1623 PolarHBondContact O-N 2.72Å; V1620-L1623 PolarHBondContact O-N 3.01Å; C1621-L1623 PolarHBondContact O-N 2.66Å; L1623-E1625 PolarHBondContact O-N 2.75Å; L1623-R1626 PolarHBondContact O-N 2.89Å; L1623-L1627 HydrophobicContact CD1-CD1 4.18Å; L1623-L1627 HydrophobicContact CD1-CG 4.43Å; L1623-L1627 HydrophobicContact CG-CD1 3.94Å; L1623-L1627 WeakPolarHBondContact O-CG 3.28Å; L1623-L1627 PolarHBondContact O-N 3.35Å
1624A91.1Very high81.9Confident2 Ų245.2 Ų45.22%0.01722%0.217CC..Hα-helixtrans-61.6-41176.600000112.7L1598 V1620 C1621 R1626 L1627 R1628 W1659 L1660L1598-A1624 HydrophobicContact CD1-CB 4.22Å; V1620-A1624 WeakPolarHBondContact O-CB 3.36Å; V1620-A1624 PolarHBondContact O-N 2.85Å; C1621-A1624 WeakPolarHBondContact O-CB 3.41Å; C1621-A1624 PolarHBondContact O-N 3.22Å; A1624-R1626 VanDerWaalsContact C-N 3.28Å; A1624-R1626 PolarHBondContact O-N 3.27Å; A1624-L1627 PolarHBondContact O-N 2.95Å; A1624-R1628 PolarHBondContact O-N 3.34Å; A1624-W1659 HydrophobicContact CB-CH2 3.64Å; A1624-W1659 HydrophobicContact CB-CZ3 3.97Å; A1624-L1660 HydrophobicContact CB-CD1 3.84Å; A1624-L1660 HydrophobicContact CB-CG 4.43Å
1625E87.8Confident80.2Confident41 Ų4147.4 Ų47.419%0.19223%0.225CC..Hα-helixtrans-63.2-30.5178.4-76.3178151.200113.4C1621 L1623 R1628 L1660 R1664C1621-E1625 WeakPolarHBondContact O-CG 3.49Å; C1621-E1625 PolarHBondContact O-N 3.46Å; L1623-E1625 PolarHBondContact O-N 2.75Å; E1625-R1628 VanDerWaalsContact O-CD 3.24Å; E1625-R1628 WeakPolarHBondContact O-CD 3.46Å; E1625-R1628 WeakPolarHBondContact O-CG 3.32Å; E1625-L1660 HydrophobicContact CG-CD2 3.87Å; E1625-R1664 IonicContact OE1-CZ 3.33Å; E1625-R1664 IonicContact OE1-NE 3.85Å; E1625-R1664 PolarHBondContact OE1-NE 3.1Å; E1625-R1664 IonicContact OE1-NH2 2.8Å; E1625-R1664 PolarHBondContact OE1-NH2 2.99Å
1626R87Confident77.9Confident52 Ų5248.3 Ų48.320%0.19623%0.23CC..Hα-helixtrans-81.8-40174.3-70179.1-69.51682.1112M1183 G1622 L1623 A1624 R1628 I2127 D2128 M2129M1183-R1626 HydrophobicContact SD-CB 3.96Å; G1622-R1626 PolarHBondContact O-NE 3.37Å; L1623-R1626 PolarHBondContact O-N 2.89Å; A1624-R1626 VanDerWaalsContact C-N 3.28Å; A1624-R1626 PolarHBondContact O-N 3.27Å; R1626-R1628 PolarHBondContact O-N 2.9Å; R1626-I2127 PolarHBondContact NH1-O 3.37Å; R1626-D2128 VanDerWaalsContact CD-O 3.32Å; R1626-D2128 WeakPolarHBondContact CD-O 3.26Å; R1626-D2128 PolarHBondContact NH1-O 2.89Å; R1626-M2129 HydrophobicContact CG-CG 4.39Å
1627L86.8Confident75.5Confident1 Ų155.9 Ų55.91%0.00526%0.259CS..Hα-helixtrans-69.7-11.5176.7-72.5171.9000114.1L1586 C1594 L1598 L1623 A1624 Y1629 H1630L1586-L1627 HydrophobicContact CD1-CD2 3.72Å; L1586-L1627 HydrophobicContact CD2-CD1 4.42Å; L1586-L1627 HydrophobicContact CD2-CD2 4.14Å; C1594-L1627 HydrophobicContact CB-CD1 4.28Å; C1594-L1627 VanDerWaalsContact SG-CD1 3.51Å; L1598-L1627 HydrophobicContact CD1-CD1 3.62Å; L1623-L1627 HydrophobicContact CD1-CD1 4.18Å; L1623-L1627 HydrophobicContact CD1-CG 4.43Å; L1623-L1627 HydrophobicContact CG-CD1 3.94Å; L1623-L1627 WeakPolarHBondContact O-CG 3.28Å; L1623-L1627 PolarHBondContact O-N 3.35Å; A1624-L1627 PolarHBondContact O-N 2.95Å; L1627-Y1629 PolarHBondContact O-N 2.91Å; L1627-H1630 PolarHBondContact O-N 3.18Å
1628R77.4Confident73.3Confident96 Ų9660.5 Ų60.536%0.36229%0.287SS..G310 helixtrans-55.1-35.8178.481.2-170.1179.8-176.1-1.9112.8A1624 E1625 R1626 H1630 L1634 E1656A1624-R1628 PolarHBondContact O-N 3.34Å; E1625-R1628 VanDerWaalsContact O-CD 3.24Å; E1625-R1628 WeakPolarHBondContact O-CD 3.46Å; E1625-R1628 WeakPolarHBondContact O-CG 3.32Å; R1626-R1628 PolarHBondContact O-N 2.9Å; R1628-H1630 VanDerWaalsContact C-N 3.26Å; R1628-H1630 PolarHBondContact O-N 3.06Å; R1628-L1634 VanDerWaalsContact O-CD1 3.29Å; R1628-L1634 WeakPolarHBondContact O-CD1 3.43Å; R1628-E1656 IonicContact NH1-OE1 2.87Å; R1628-E1656 PolarHBondContact NH1-OE1 3.29Å
1629Y70.8Confident70.6Confident137 Ų13760.2 Ų60.254%0.53729%0.294SS..G310 helixtrans-77.7-5.7178.6-55.8-69.8000114.5L1627 I1635L1627-Y1629 PolarHBondContact O-N 2.91Å; Y1629-I1635 WeakPolarHBondContact O-CG1 3.25Å
1630H69Low67.9Low42 Ų4264.7 Ų64.719%0.19432%0.316CS..G310 helixtrans-99.612.5-179.1-67.2-101.6000113.4M1183 H1591 L1627 R1628M1183-H1630 WeakPolarHBondContact CE-NE2 3.32Å; H1591-H1630 HydrophobicContact CB-CB 3.9Å; H1591-H1630 AromaticContact CD2-CE1 3.85Å; H1591-H1630 AromaticContact CD2-CG 3.46Å; H1591-H1630 VanDerWaalsContact CD2-CG 3.46Å; H1591-H1630 AromaticContact CD2-ND1 3.11Å; H1591-H1630 PolarHBondContact CD2-ND1 3.18Å; H1591-H1630 AromaticContact CG-ND1 3.93Å; L1627-H1630 PolarHBondContact O-N 3.18Å; R1628-H1630 VanDerWaalsContact C-N 3.26Å; R1628-H1630 PolarHBondContact O-N 3.06Å
1631D62.9Low64.9Low14 Ų1467.6 Ų67.68%0.07534%0.34CS..  trans-75.4125.4167.3-165.7-51.7000109.6I1633 L1634 I1635 K1657D1631-I1633 PolarHBondContact O-N 2.94Å; D1631-I1633 VanDerWaalsContact O-N 3.1Å; D1631-I1633 WeakPolarHBondContact OD1-CB 3.48Å; D1631-I1633 WeakPolarHBondContact OD1-CG1 3.45Å; D1631-I1633 PolarHBondContact OD1-N 2.86Å; D1631-L1634 HydrophobicContact CB-CB 4.29Å; D1631-L1634 HydrophobicContact CB-CD1 3.98Å; D1631-L1634 HydrophobicContact CB-CG 3.95Å; D1631-L1634 PolarHBondContact O-N 3.05Å; D1631-I1635 PolarHBondContact O-N 2.71Å; D1631-K1657 IonicContact OD2-NZ 2.75Å; D1631-K1657 PolarHBondContact OD2-NZ 3.28Å
1632P55.4Low61.7Low70 Ų7072.4 Ų72.446%0.45537%0.374SS..Hα-helixtrans-55-29.3-179.8-27.435.7000114.6L1634 N1636P1632-L1634 VanDerWaalsContact C-N 3.29Å; P1632-L1634 PolarHBondContact O-N 2.77Å; P1632-N1636 PolarHBondContact O-N 3.48Å
1633I52.4Low58.8Low112 Ų11277.7 Ų77.757%0.57441%0.406SS*.Hα-helixtrans-66.9-35.4177.6-58.3173.1000110.5D1631 R1637D1631-I1633 PolarHBondContact O-N 2.94Å; D1631-I1633 VanDerWaalsContact O-N 3.1Å; D1631-I1633 WeakPolarHBondContact OD1-CB 3.48Å; D1631-I1633 WeakPolarHBondContact OD1-CG1 3.45Å; D1631-I1633 PolarHBondContact OD1-N 2.86Å; I1633-R1637 WeakPolarHBondContact O-CG 3.21Å
1634L50.7Low56.1Low29 Ų2982.4 Ų82.415%0.15244%0.437CS..Hα-helixtrans-85.2-36.4-177.1-57-176.6000111.8R1628 D1631 P1632 N1636 R1637 V1638 E1655R1628-L1634 VanDerWaalsContact O-CD1 3.29Å; R1628-L1634 WeakPolarHBondContact O-CD1 3.43Å; D1631-L1634 HydrophobicContact CB-CB 4.29Å; D1631-L1634 HydrophobicContact CB-CD1 3.98Å; D1631-L1634 HydrophobicContact CB-CG 3.95Å; D1631-L1634 PolarHBondContact O-N 3.05Å; P1632-L1634 VanDerWaalsContact C-N 3.29Å; P1632-L1634 PolarHBondContact O-N 2.77Å; L1634-N1636 VanDerWaalsContact C-N 3.27Å; L1634-N1636 PolarHBondContact O-N 3.34Å; L1634-R1637 PolarHBondContact O-N 3.34Å; L1634-V1638 WeakPolarHBondContact O-CG2 3.42Å; L1634-V1638 PolarHBondContact O-N 2.88Å; L1634-E1655 HydrophobicContact CD2-CG 3.64Å; L1634-E1655 VanDerWaalsContact CD2-OE1 3.23Å; L1634-E1655 WeakPolarHBondContact CD2-OE1 3.42Å; L1634-E1655 WeakPolarHBondContact CD2-OE2 3.45Å
1635I53.5Low53.3Low72 Ų7288.8 Ų88.837%0.36947%0.471SS..Hα-helixtrans-54.5-46.2172.1-66.2171000110.3Y1629 D1631 R1637 V1638 S1639Y1629-I1635 WeakPolarHBondContact O-CG1 3.25Å; D1631-I1635 PolarHBondContact O-N 2.71Å; I1635-R1637 VanDerWaalsContact C-N 3.29Å; I1635-R1637 PolarHBondContact O-N 3.27Å; I1635-V1638 PolarHBondContact O-N 2.98Å; I1635-S1639 WeakPolarHBondContact O-CB 3.32Å; I1635-S1639 PolarHBondContact O-N 2.91Å; I1635-S1639 PolarHBondContact O-OG 3.3Å
1636N42Very low50.7Low128 Ų12891.4 Ų91.468%0.68450%0.5SS*.Hα-helixtrans-68.7-22.7178.6-77-11.4000114.3P1632 L1634P1632-N1636 PolarHBondContact O-N 3.48Å; L1634-N1636 VanDerWaalsContact C-N 3.27Å; L1634-N1636 PolarHBondContact O-N 3.34Å
1637R44.9Very low48.3Very low164 Ų16494.6 Ų94.662%0.61953%0.525SS*.Hα-helixtrans-82.7-35.5175.7-73.7177.7171.9-162.9-7.8112.7I1633 L1634 I1635 E1655I1633-R1637 WeakPolarHBondContact O-CG 3.21Å; L1634-R1637 PolarHBondContact O-N 3.34Å; I1635-R1637 VanDerWaalsContact C-N 3.29Å; I1635-R1637 PolarHBondContact O-N 3.27Å; R1637-E1655 VanDerWaalsContact CD-OE1 3.27Å; R1637-E1655 WeakPolarHBondContact CD-OE1 3.24Å; R1637-E1655 IonicContact CZ-OE1 3.75Å; R1637-E1655 IonicContact NE-OE1 2.79Å; R1637-E1655 IonicContact NH1-OE1 3.24Å; R1637-E1655 PolarHBondContact NH1-OE1 2.91Å
1638V47.1Very low46Very low97 Ų9798.8 Ų98.859%0.58855%0.554SS**Hα-helixtrans-88.9-28-176.2-178.60000112.7L1634 I1635 F1640L1634-V1638 WeakPolarHBondContact O-CG2 3.42Å; L1634-V1638 PolarHBondContact O-N 2.88Å; I1635-V1638 PolarHBondContact O-N 2.98Å; V1638-F1640 VanDerWaalsContact C-N 3.34Å; V1638-F1640 PolarHBondContact O-N 2.81Å
1639S37Very low44.1Very low77 Ų77103.6 Ų103.654%0.53858%0.578SS.*THydrogen-bonded Turntrans-78.7-4.3-169.1-55.50000116.5I1635I1635-S1639 WeakPolarHBondContact O-CB 3.32Å; I1635-S1639 PolarHBondContact O-N 2.91Å; I1635-S1639 PolarHBondContact O-OG 3.3Å
1640F37.6Very low42.5Very low195 Ų195103.2 Ų103.286%0.85559%0.585SS**THydrogen-bonded Turntrans-125.61.3179-83.5-78.2000114.8V1638V1638-F1640 VanDerWaalsContact C-N 3.34Å; V1638-F1640 PolarHBondContact O-N 2.81Å
1641A31.2Very low41.2Very low61 Ų61105.9 Ų105.950%0.50461%0.608SS.*  trans-95.3112171.300000110.2
1642S27Very low40.4Very low107 Ų107109.7 Ų109.775%0.74864%0.642SS**  trans-50.2143.6154.1-66.10000108.8P1644S1642-P1644 VanDerWaalsContact O-CD 3.28Å; S1642-P1644 WeakPolarHBondContact O-CD 3.21Å
1643P31Very low39.8Very low125 Ų125109.6 Ų109.681%0.81265%0.647SS**  trans-53.9112.7-17121.2-33.6000110.5
1644P34.9Very low39.6Very low108 Ų108108 Ų10870%0.70165%0.651SS**  trans-66.3140.9-177.926.9-33.4000108.9S1642 A1646S1642-P1644 VanDerWaalsContact O-CD 3.28Å; S1642-P1644 WeakPolarHBondContact O-CD 3.21Å; P1644-A1646 PolarHBondContact O-N 2.75Å
1645N33.2Very low39.6Very low137 Ų137110.9 Ų110.973%0.73366%0.664SS**  trans-55124.4-179-170.219.6000109.9T1647N1645-T1647 PolarHBondContact O-N 3.28Å
1646A33.9Very low40.2Very low96 Ų96109.2 Ų109.279%0.79365%0.654SS**SBendtrans-80.657.9-163.200000113.1P1644P1644-A1646 PolarHBondContact O-N 2.75Å
1647T36.1Very low41.9Very low119 Ų119106.7 Ų106.773%0.7364%0.637SS**  trans-123.643179.658.80000111.9N1645N1645-T1647 PolarHBondContact O-N 3.28Å
1648S37.9Very low43.7Very low88 Ų88102.3 Ų102.362%0.61564%0.636SS**  trans-147.2122.8160.252.90000107.4
1649K36.9Very low45.6Very low197 Ų19798.9 Ų98.986%0.85761%0.612SS**SBendtrans-86.6-17.3-164.5-120.9178.2179.7-179.60113.8
1650D37.9Very low48.1Very low130 Ų13095.6 Ų95.670%0.69559%0.589SS**SBendtrans-114.1-12.7-153.9-47.4-73.2000113.7A1652D1650-A1652 VanDerWaalsContact C-N 3.31Å; D1650-A1652 PolarHBondContact O-N 3.37Å
1651S42.6Very low50.5Low97 Ų9791.2 Ų91.268%0.67857%0.567SS**THydrogen-bonded Turntrans-73-17.9-177.1-64.20000114.4
1652A44.3Very low53.1Low95 Ų9592.4 Ų92.479%0.78556%0.562SS**THydrogen-bonded Turntrans-81.1-16.5-179.600000114D1650D1650-A1652 VanDerWaalsContact C-N 3.31Å; D1650-A1652 PolarHBondContact O-N 3.37Å
1653A44.1Very low56Low67 Ų6787.4 Ų87.455%0.55453%0.527SS*.SBendtrans-85.3-22.5-173.700000114R1661A1653-R1661 PolarHBondContact O-NH2 3.16Å
1654A47.2Very low58.8Low80 Ų8084.1 Ų84.166%0.66150%0.498SS*.THydrogen-bonded Turntrans-68.6-41-170.200000113.6E1656 R1661A1654-E1656 VanDerWaalsContact C-N 3.3Å; A1654-E1656 PolarHBondContact O-N 3.19Å; A1654-R1661 PolarHBondContact O-NH2 2.89Å; A1654-R1661 VanDerWaalsContact O-NH2 3.1Å
1655E52.3Low61.3Low89 Ų8981.7 Ų81.742%0.41648%0.484SS..THydrogen-bonded Turntrans-82.8-0.1-162.3-148.5164.8-14400115L1634 R1637L1634-E1655 HydrophobicContact CD2-CG 3.64Å; L1634-E1655 VanDerWaalsContact CD2-OE1 3.23Å; L1634-E1655 WeakPolarHBondContact CD2-OE1 3.42Å; L1634-E1655 WeakPolarHBondContact CD2-OE2 3.45Å; R1637-E1655 VanDerWaalsContact CD-OE1 3.27Å; R1637-E1655 WeakPolarHBondContact CD-OE1 3.24Å; R1637-E1655 IonicContact CZ-OE1 3.75Å; R1637-E1655 IonicContact NE-OE1 2.79Å; R1637-E1655 IonicContact NH1-OE1 3.24Å; R1637-E1655 PolarHBondContact NH1-OE1 2.91Å
1656E64.9Low63.7Low37 Ų3777.2 Ų77.217%0.17346%0.46CS..SBendtrans-72134.7175.2-171.5162.6-108.400111.8R1628 A1654 L1660 R1661 R1664R1628-E1656 IonicContact NH1-OE1 2.87Å; R1628-E1656 PolarHBondContact NH1-OE1 3.29Å; A1654-E1656 VanDerWaalsContact C-N 3.3Å; A1654-E1656 PolarHBondContact O-N 3.19Å; E1656-L1660 HydrophobicContact CG-CB 4.48Å; E1656-L1660 HydrophobicContact CG-CD2 4.12Å; E1656-R1661 HydrophobicContact CG-CG 4.1Å; E1656-R1661 PolarHBondContact O-NH1 2.71Å; E1656-R1661 PolarHBondContact O-NH2 2.8Å; E1656-R1661 VanDerWaalsContact O-NH2 3.16Å; E1656-R1661 WeakPolarHBondContact OE2-CG 3.31Å; E1656-R1661 IonicContact OE2-NE 3.35Å; E1656-R1664 VanDerWaalsContact CD-NH1 3.32Å; E1656-R1664 IonicContact OE1-CZ 2.69Å; E1656-R1664 IonicContact OE1-NH1 3.76Å; E1656-R1664 PolarHBondContact OE1-NH1 2.94Å; E1656-R1664 IonicContact OE1-NH2 2.83Å; E1656-R1664 PolarHBondContact OE1-NH2 2.76Å; E1656-R1664 IonicContact OE2-CZ 3.91Å; E1656-R1664 IonicContact OE2-NH1 3.65Å; E1656-R1664 PolarHBondContact OE2-NH1 2.99Å; E1656-R1664 IonicContact OE2-NH2 2.64Å
1657K78.2Confident66.1Low75 Ų7572.8 Ų72.833%0.32642%0.423SS..  trans-71.6136-178-63.1-177.6-178.6179.40110.5D1631 W1659 L1660 R1661D1631-K1657 IonicContact OD2-NZ 2.75Å; D1631-K1657 PolarHBondContact OD2-NZ 3.28Å; K1657-W1659 VanDerWaalsContact C-N 3.31Å; K1657-W1659 PolarHBondContact O-N 3.27Å; K1657-L1660 WeakPolarHBondContact O-CB 3.48Å; K1657-L1660 PolarHBondContact O-N 3.43Å; K1657-R1661 PolarHBondContact O-N 2.8Å
1658A82.1Confident67.9Low72 Ų7273.9 Ų73.960%0.59542%0.415SS*.Hα-helixtrans-54.9-41.3-172.900000113.8L1660 R1661 Q1662A1658-L1660 PolarHBondContact O-N 3.39Å; A1658-R1661 PolarHBondContact O-N 2.88Å; A1658-Q1662 PolarHBondContact O-N 3.4Å; A1658-Q1662 VanDerWaalsContact O-N 3.09Å
1659W88.1Confident69Low24 Ų2474.2 Ų74.29%0.09141%0.413CS..Hα-helixtrans-60.5-28.9176.869.9-104.2000113.3T1595 L1598 E1599 A1602 A1624 K1657 Q1662 L1663T1595-W1659 HydrophobicContact CG2-CZ2 4.39Å; L1598-W1659 HydrophobicContact CB-CH2 4.03Å; E1599-W1659 HydrophobicContact CB-CD2 4.04Å; E1599-W1659 HydrophobicContact CB-CG 4.44Å; E1599-W1659 HydrophobicContact CB-CH2 4.27Å; E1599-W1659 HydrophobicContact CB-CZ2 3.68Å; E1599-W1659 HydrophobicContact CG-CD2 3.97Å; E1599-W1659 HydrophobicContact CG-CG 3.84Å; E1599-W1659 HydrophobicContact CG-CZ2 4.39Å; E1599-W1659 PolarHBondContact OE2-NE1 2.81Å; A1602-W1659 HydrophobicContact CB-CE3 3.6Å; A1602-W1659 HydrophobicContact CB-CZ3 3.96Å; A1624-W1659 HydrophobicContact CB-CH2 3.64Å; A1624-W1659 HydrophobicContact CB-CZ3 3.97Å; K1657-W1659 VanDerWaalsContact C-N 3.31Å; K1657-W1659 PolarHBondContact O-N 3.27Å; W1659-Q1662 PolarHBondContact O-N 3.5Å; W1659-L1663 HydrophobicContact CZ3-CD2 4.09Å; W1659-L1663 WeakPolarHBondContact O-CB 3.43Å; W1659-L1663 PolarHBondContact O-N 3.25Å
1660L88.9Confident69.9Low8 Ų867.8 Ų67.84%0.04239%0.386CS..Hα-helixtrans-77.9-39.4-179.3-163.1156.5000110.4A1624 E1625 E1656 K1657 A1658 Q1662 L1663 R1664A1624-L1660 HydrophobicContact CB-CD1 3.84Å; A1624-L1660 HydrophobicContact CB-CG 4.43Å; E1625-L1660 HydrophobicContact CG-CD2 3.87Å; E1656-L1660 HydrophobicContact CG-CB 4.48Å; E1656-L1660 HydrophobicContact CG-CD2 4.12Å; K1657-L1660 WeakPolarHBondContact O-CB 3.48Å; K1657-L1660 PolarHBondContact O-N 3.43Å; A1658-L1660 PolarHBondContact O-N 3.39Å; L1660-Q1662 VanDerWaalsContact C-N 3.26Å; L1660-Q1662 PolarHBondContact O-N 3.24Å; L1660-L1663 PolarHBondContact O-N 3.42Å; L1660-R1664 WeakPolarHBondContact O-CB 3.31Å; L1660-R1664 PolarHBondContact O-N 2.76Å
1661R87.6Confident70.6Confident104 Ų10464 Ų6439%0.39237%0.369SS..Hα-helixtrans-57.1-42.3168.4-62.5-168.6-173.490.6-0.4111.2A1653 A1654 E1656 K1657 A1658 R1664 S1665A1653-R1661 PolarHBondContact O-NH2 3.16Å; A1654-R1661 PolarHBondContact O-NH2 2.89Å; A1654-R1661 VanDerWaalsContact O-NH2 3.1Å; E1656-R1661 HydrophobicContact CG-CG 4.1Å; E1656-R1661 PolarHBondContact O-NH1 2.71Å; E1656-R1661 PolarHBondContact O-NH2 2.8Å; E1656-R1661 VanDerWaalsContact O-NH2 3.16Å; E1656-R1661 WeakPolarHBondContact OE2-CG 3.31Å; E1656-R1661 IonicContact OE2-NE 3.35Å; K1657-R1661 PolarHBondContact O-N 2.8Å; A1658-R1661 PolarHBondContact O-N 2.88Å; R1661-R1664 PolarHBondContact O-N 2.88Å; R1661-S1665 PolarHBondContact O-N 3.27Å
1662Q85.8Confident71.1Confident85 Ų8566.2 Ų66.240%0.39737%0.368SS..Hα-helixtrans-69.8-43.3-179.9-165.7171.2-1.100112.5E1606 A1658 W1659 L1660 R1664 S1665 L1666E1606-Q1662 PolarHBondContact OE1-NE2 3.33Å; A1658-Q1662 PolarHBondContact O-N 3.4Å; A1658-Q1662 VanDerWaalsContact O-N 3.09Å; W1659-Q1662 PolarHBondContact O-N 3.5Å; L1660-Q1662 VanDerWaalsContact C-N 3.26Å; L1660-Q1662 PolarHBondContact O-N 3.24Å; Q1662-R1664 VanDerWaalsContact C-N 3.32Å; Q1662-R1664 PolarHBondContact O-N 3.37Å; Q1662-S1665 PolarHBondContact O-N 2.73Å; Q1662-S1665 PolarHBondContact O-OG 3.46Å; Q1662-L1666 PolarHBondContact O-N 3.28Å; Q1662-L1666 VanDerWaalsContact O-N 3.14Å
1663L88.3Confident71.4Confident3 Ų368.7 Ų68.72%0.01636%0.363CS..Hα-helixtrans-61-40.3173-177.666.2000111.7A1602 I1605 I1617 V1620 C1621 W1659 L1660 L1666 A1667A1602-L1663 HydrophobicContact CB-CB 4.32Å; A1602-L1663 HydrophobicContact CB-CD1 4.22Å; A1602-L1663 HydrophobicContact CB-CD2 4.14Å; A1602-L1663 HydrophobicContact CB-CG 4.46Å; I1605-L1663 HydrophobicContact CD1-CD1 4.06Å; I1617-L1663 HydrophobicContact CG2-CD1 3.84Å; V1620-L1663 HydrophobicContact CB-CD2 4.25Å; V1620-L1663 HydrophobicContact CG1-CD2 3.73Å; C1621-L1663 HydrophobicContact CB-CD2 4.02Å; C1621-L1663 HydrophobicContact CB-CG 4.14Å; W1659-L1663 HydrophobicContact CZ3-CD2 4.09Å; W1659-L1663 WeakPolarHBondContact O-CB 3.43Å; W1659-L1663 PolarHBondContact O-N 3.25Å; L1660-L1663 PolarHBondContact O-N 3.42Å; L1663-L1666 PolarHBondContact O-N 3.29Å; L1663-A1667 WeakPolarHBondContact O-CB 3.44Å; L1663-A1667 PolarHBondContact O-N 3.07Å
1664R89.4Confident71.9Confident56 Ų5671.6 Ų71.621%0.21137%0.366CS..Hα-helixtrans-62.1-41.4174.8-176.4-174.5-71137.87.1111.7E1625 E1656 L1660 R1661 Q1662 L1666 A1667 Y1668E1625-R1664 IonicContact OE1-CZ 3.33Å; E1625-R1664 IonicContact OE1-NE 3.85Å; E1625-R1664 PolarHBondContact OE1-NE 3.1Å; E1625-R1664 IonicContact OE1-NH2 2.8Å; E1625-R1664 PolarHBondContact OE1-NH2 2.99Å; E1656-R1664 VanDerWaalsContact CD-NH1 3.32Å; E1656-R1664 IonicContact OE1-CZ 2.69Å; E1656-R1664 IonicContact OE1-NH1 3.76Å; E1656-R1664 PolarHBondContact OE1-NH1 2.94Å; E1656-R1664 IonicContact OE1-NH2 2.83Å; E1656-R1664 PolarHBondContact OE1-NH2 2.76Å; E1656-R1664 IonicContact OE2-CZ 3.91Å; E1656-R1664 IonicContact OE2-NH1 3.65Å; E1656-R1664 PolarHBondContact OE2-NH1 2.99Å; E1656-R1664 IonicContact OE2-NH2 2.64Å; L1660-R1664 WeakPolarHBondContact O-CB 3.31Å; L1660-R1664 PolarHBondContact O-N 2.76Å; R1661-R1664 PolarHBondContact O-N 2.88Å; Q1662-R1664 VanDerWaalsContact C-N 3.32Å; Q1662-R1664 PolarHBondContact O-N 3.37Å; R1664-L1666 PolarHBondContact O-N 3.19Å; R1664-A1667 WeakPolarHBondContact O-CB 2.97Å; R1664-A1667 PolarHBondContact O-N 3.41Å; R1664-Y1668 HydrophobicContact CG-CD2 3.63Å; R1664-Y1668 HydrophobicContact CG-CE2 3.33Å; R1664-Y1668 PolarHBondContact O-N 3.44Å; R1664-Y1668 VanDerWaalsContact O-N 3.13Å
1665S87Confident72.3Confident57 Ų5774 Ų7440%0.39936%0.363SS..Hα-helixtrans-63.2-42.8177.1740000111.8R1661 Q1662 A1667 Y1668 V1669R1661-S1665 PolarHBondContact O-N 3.27Å; Q1662-S1665 PolarHBondContact O-N 2.73Å; Q1662-S1665 PolarHBondContact O-OG 3.46Å; S1665-A1667 VanDerWaalsContact C-N 3.29Å; S1665-A1667 PolarHBondContact O-N 2.88Å; S1665-Y1668 PolarHBondContact O-N 3.24Å; S1665-V1669 WeakPolarHBondContact O-CB 3.28Å; S1665-V1669 VanDerWaalsContact O-CG2 3.24Å; S1665-V1669 WeakPolarHBondContact O-CG2 3.42Å; S1665-V1669 PolarHBondContact O-N 3.08Å
1666L84.8Confident72.5Confident43 Ų4375.9 Ų75.923%0.22538%0.375CS..Hα-helixtrans-63.1-33.9174.2-65.9174.5000112.3I1605 P1609 I1617 Q1662 L1663 R1664I1605-L1666 HydrophobicContact CG2-CD1 4.18Å; P1609-L1666 HydrophobicContact CB-CD2 4.37Å; P1609-L1666 HydrophobicContact CG-CD2 4.18Å; I1617-L1666 HydrophobicContact CG2-CB 4.44Å; Q1662-L1666 PolarHBondContact O-N 3.28Å; Q1662-L1666 VanDerWaalsContact O-N 3.14Å; L1663-L1666 PolarHBondContact O-N 3.29Å; R1664-L1666 PolarHBondContact O-N 3.19Å
1667A84.1Confident72.2Confident3 Ų380.5 Ų80.53%0.02540%0.397CS..Hα-helixtrans-71.7-26.1177.800000114.5I1617 Q1618 C1621 L1663 R1664 S1665I1617-A1667 HydrophobicContact CG2-CB 4.05Å; Q1618-A1667 HydrophobicContact CG-CB 4.21Å; C1621-A1667 HydrophobicContact CB-CB 4.49Å; L1663-A1667 WeakPolarHBondContact O-CB 3.44Å; L1663-A1667 PolarHBondContact O-N 3.07Å; R1664-A1667 WeakPolarHBondContact O-CB 2.97Å; R1664-A1667 PolarHBondContact O-N 3.41Å; S1665-A1667 VanDerWaalsContact C-N 3.29Å; S1665-A1667 PolarHBondContact O-N 2.88Å
1668Y72.8Confident71.2Confident141 Ų14182.6 Ų82.655%0.55341%0.408SS*.Hα-helixtrans-103.8-23.3-177.4-67-36000115.1R1664 S1665 Q1670 P1671R1664-Y1668 HydrophobicContact CG-CD2 3.63Å; R1664-Y1668 HydrophobicContact CG-CE2 3.33Å; R1664-Y1668 PolarHBondContact O-N 3.44Å; R1664-Y1668 VanDerWaalsContact O-N 3.13Å; S1665-Y1668 PolarHBondContact O-N 3.24Å; Y1668-Q1670 VanDerWaalsContact C-N 3.34Å; Y1668-Q1670 PolarHBondContact O-N 2.88Å; Y1668-P1671 WeakPolarHBondContact O-CD 3.45Å; Y1668-P1671 WeakPolarHBondContact O-CG 3.49Å
1669V62Low70.1Confident95 Ų9584.6 Ų84.658%0.57641%0.408SS*.Hα-helixtrans-65.3-34.5179.21650000112.8S1665S1665-V1669 WeakPolarHBondContact O-CB 3.28Å; S1665-V1669 VanDerWaalsContact O-CG2 3.24Å; S1665-V1669 WeakPolarHBondContact O-CG2 3.42Å; S1665-V1669 PolarHBondContact O-N 3.08Å
1670Q55.1Low68.8Low63 Ų6389.3 Ų89.329%0.29443%0.431SS..Hα-helixtrans-64.5-56.7178.8-73.7-178.9-12.900114.3S1614 Y1668 Q1672 Q1673 E1674S1614-Q1670 PolarHBondContact OG-OE1 2.9Å; Y1668-Q1670 VanDerWaalsContact C-N 3.34Å; Y1668-Q1670 PolarHBondContact O-N 2.88Å; Q1670-Q1672 VanDerWaalsContact C-N 3.31Å; Q1670-Q1672 PolarHBondContact O-N 2.9Å; Q1670-Q1673 PolarHBondContact O-N 3.45Å; Q1670-Q1673 VanDerWaalsContact O-N 3.17Å; Q1670-E1674 PolarHBondContact O-N 3.33Å
1671P54.1Low67.2Low51 Ų5195 Ų9533%0.33146%0.457SS..Hα-helixtrans-62.1-32.6-174.221-33.7000114.3Y1668 Q1673 E1674 Q1675Y1668-P1671 WeakPolarHBondContact O-CD 3.45Å; Y1668-P1671 WeakPolarHBondContact O-CG 3.49Å; P1671-Q1673 VanDerWaalsContact C-N 3.31Å; P1671-Q1673 PolarHBondContact O-N 2.91Å; P1671-E1674 PolarHBondContact O-N 3.27Å; P1671-Q1675 WeakPolarHBondContact O-CB 3.43Å; P1671-Q1675 PolarHBondContact O-N 3.09Å
1672Q51.3Low65.9Low143 Ų14394.8 Ų94.867%0.66846%0.464SS*.Hα-helixtrans-67.7-32.2179.5-163.8173.931.900112.2Q1670 L1676Q1670-Q1672 VanDerWaalsContact C-N 3.31Å; Q1670-Q1672 PolarHBondContact O-N 2.9Å; Q1672-L1676 PolarHBondContact O-N 3.35Å
1673Q52.3Low64.7Low146 Ų14697.6 Ų97.668%0.68248%0.477SS*.Hα-helixtrans-77.2-39.2178.1-156.9170.744.300111.9Q1670 P1671 Q1677Q1670-Q1673 PolarHBondContact O-N 3.45Å; Q1670-Q1673 VanDerWaalsContact O-N 3.17Å; P1671-Q1673 VanDerWaalsContact C-N 3.31Å; P1671-Q1673 PolarHBondContact O-N 2.91Å; Q1673-Q1677 PolarHBondContact O-N 2.84Å; Q1673-Q1677 VanDerWaalsContact O-N 3.12Å
1674E53.3Low63.2Low129 Ų129102.5 Ų102.560%0.60350%0.5SS*.Hα-helixtrans-63.3-40.8171.8-79.2-166.398.600112.2Q1670 P1671 L1676 Q1677 Q1678Q1670-E1674 PolarHBondContact O-N 3.33Å; P1671-E1674 PolarHBondContact O-N 3.27Å; E1674-L1676 PolarHBondContact O-N 3.21Å; E1674-Q1677 PolarHBondContact O-N 3.5Å; E1674-Q1678 WeakPolarHBondContact O-CB 3.24Å; E1674-Q1678 PolarHBondContact O-N 2.83Å
1675Q55.8Low61.8Low131 Ų131103.2 Ų103.261%0.61251%0.51SS*.Hα-helixtrans-64.8-38.7-178.7-164171.924.400112.6P1671 Q1678 L1679P1671-Q1675 WeakPolarHBondContact O-CB 3.43Å; P1671-Q1675 PolarHBondContact O-N 3.09Å; Q1675-Q1678 PolarHBondContact O-N 2.69Å; Q1675-L1679 PolarHBondContact O-N 2.9Å
1676L57.1Low60.6Low127 Ų127106.7 Ų106.767%0.66552%0.52SS*.Hα-helixtrans-65.7-42.2172.4-93.1163.1000112.5Q1672 E1674 Q1678 Q1680Q1672-L1676 PolarHBondContact O-N 3.35Å; E1674-L1676 PolarHBondContact O-N 3.21Å; L1676-Q1678 VanDerWaalsContact C-N 3.33Å; L1676-Q1680 PolarHBondContact O-N 2.89Å
1677Q57.6Low59.4Low134 Ų134111 Ų11163%0.62654%0.539SS*.Hα-helixtrans-64.4-39.4176-16293.4102.700111.4Q1673 E1674 Q1680 Q1681Q1673-Q1677 PolarHBondContact O-N 2.84Å; Q1673-Q1677 VanDerWaalsContact O-N 3.12Å; E1674-Q1677 PolarHBondContact O-N 3.5Å; Q1677-Q1680 PolarHBondContact O-N 2.86Å; Q1677-Q1681 PolarHBondContact O-N 2.97Å
1678Q58.6Low58Low120 Ų120116.7 Ų116.756%0.56157%0.565SS**Hα-helixtrans-73.9-33-178.1-163.6172.1105.900112.3E1674 Q1675 L1676 Q1681 N1682E1674-Q1678 WeakPolarHBondContact O-CB 3.24Å; E1674-Q1678 PolarHBondContact O-N 2.83Å; Q1675-Q1678 PolarHBondContact O-N 2.69Å; L1676-Q1678 VanDerWaalsContact C-N 3.33Å; Q1678-Q1681 PolarHBondContact O-N 2.6Å; Q1678-N1682 WeakPolarHBondContact O-CB 3.48Å; Q1678-N1682 PolarHBondContact O-N 3.26Å
1679L59.3Low57.2Low113 Ų113114.2 Ų114.259%0.59256%0.559SS**Hα-helixtrans-61.3-43.6169.4-118.682.7000111.8Q1675 N1682 Q1683Q1675-L1679 PolarHBondContact O-N 2.9Å; L1679-N1682 PolarHBondContact O-N 3.39Å; L1679-Q1683 PolarHBondContact O-N 3Å
1680Q59Low57Low124 Ų124114 Ų11458%0.57955%0.554SS**Hα-helixtrans-69.1-37.3178.5-169.1167.310600111.8L1676 Q1677 Q1684L1676-Q1680 PolarHBondContact O-N 2.89Å; Q1677-Q1680 PolarHBondContact O-N 2.86Å; Q1680-Q1684 PolarHBondContact O-N 3.48Å
1681Q56.7Low57.5Low126 Ų126115 Ų11559%0.58956%0.562SS**Hα-helixtrans-67.7-37.9173.1-175.8165.288.800112.4Q1677 Q1678 Q1683 Q1684 V1685Q1677-Q1681 PolarHBondContact O-N 2.97Å; Q1678-Q1681 PolarHBondContact O-N 2.6Å; Q1681-Q1683 PolarHBondContact O-N 3.43Å; Q1681-Q1684 PolarHBondContact O-N 3.24Å; Q1681-Q1684 VanDerWaalsContact O-N 3.16Å; Q1681-V1685 HydrophobicContact CG-CG2 4.08Å; Q1681-V1685 WeakPolarHBondContact O-CB 3.26Å; Q1681-V1685 WeakPolarHBondContact O-CG2 3.32Å; Q1681-V1685 PolarHBondContact O-N 3.17Å
1682N58.7Low58Low101 Ų101116.1 Ų116.154%0.5456%0.564SS.*Hα-helixtrans-62.6-41.1177.1-113-21.7000111.9Q1678 L1679 Q1684 V1685 Q1686Q1678-N1682 WeakPolarHBondContact O-CB 3.48Å; Q1678-N1682 PolarHBondContact O-N 3.26Å; L1679-N1682 PolarHBondContact O-N 3.39Å; N1682-Q1684 VanDerWaalsContact C-N 3.31Å; N1682-Q1684 PolarHBondContact O-N 3.12Å; N1682-V1685 PolarHBondContact O-N 3.3Å; N1682-Q1686 WeakPolarHBondContact O-CB 3.24Å; N1682-Q1686 PolarHBondContact O-N 3.42Å
1683Q60.7Low59Low143 Ų143113.2 Ų113.267%0.66855%0.553SS**Hα-helixtrans-59.2-42.4172.9-105.8-178.586.100112.1L1679 Q1681 Q1686 Q1687L1679-Q1683 PolarHBondContact O-N 3Å; Q1681-Q1683 PolarHBondContact O-N 3.43Å; Q1683-Q1686 PolarHBondContact O-N 3.43Å; Q1683-Q1687 WeakPolarHBondContact O-CB 3.38Å; Q1683-Q1687 PolarHBondContact O-N 3.38Å
1684Q57.9Low59.7Low106 Ų106112.2 Ų112.250%0.49555%0.548SS..Hα-helixtrans-72.8-40.2-178.4-163.3164.726.900112.6Q1680 Q1681 N1682 Q1686 Q1687 E1688Q1680-Q1684 PolarHBondContact O-N 3.48Å; Q1681-Q1684 PolarHBondContact O-N 3.24Å; Q1681-Q1684 VanDerWaalsContact O-N 3.16Å; N1682-Q1684 VanDerWaalsContact C-N 3.31Å; N1682-Q1684 PolarHBondContact O-N 3.12Å; Q1684-Q1686 VanDerWaalsContact C-N 3.35Å; Q1684-Q1687 PolarHBondContact O-N 3.4Å; Q1684-E1688 PolarHBondContact O-N 2.76Å
1685V59.3Low60Low71 Ų71112.2 Ų112.243%0.4355%0.549SS..Hα-helixtrans-66.2-37.4173.3170.90000111.1Q1681 N1682 Q1687 E1688 Q1689Q1681-V1685 HydrophobicContact CG-CG2 4.08Å; Q1681-V1685 WeakPolarHBondContact O-CB 3.26Å; Q1681-V1685 WeakPolarHBondContact O-CG2 3.32Å; Q1681-V1685 PolarHBondContact O-N 3.17Å; N1682-V1685 PolarHBondContact O-N 3.3Å; V1685-Q1687 VanDerWaalsContact C-N 3.29Å; V1685-Q1687 PolarHBondContact O-N 3.41Å; V1685-E1688 PolarHBondContact O-N 3.43Å; V1685-Q1689 VanDerWaalsContact O-CB 3.28Å; V1685-Q1689 WeakPolarHBondContact O-CB 3.42Å; V1685-Q1689 PolarHBondContact O-N 3.11Å
1686Q62.4Low60.3Low131 Ų131112.2 Ų112.261%0.61255%0.547SS*.Hα-helixtrans-71.8-25.2175.7-166.3155.744.200112N1682 Q1683 Q1684 N1690N1682-Q1686 WeakPolarHBondContact O-CB 3.24Å; N1682-Q1686 PolarHBondContact O-N 3.42Å; Q1683-Q1686 PolarHBondContact O-N 3.43Å; Q1684-Q1686 VanDerWaalsContact C-N 3.35Å; Q1686-N1690 PolarHBondContact O-N 3.46Å; Q1686-N1690 PolarHBondContact O-ND2 2.66Å
1687Q59.8Low60.9Low132 Ų132109 Ų10962%0.61754%0.538SS*.Hα-helixtrans-74-47.3170.1-162.2164.228.500111.6Q1683 Q1684 V1685 Q1689 N1690 D1691Q1683-Q1687 WeakPolarHBondContact O-CB 3.38Å; Q1683-Q1687 PolarHBondContact O-N 3.38Å; Q1684-Q1687 PolarHBondContact O-N 3.4Å; V1685-Q1687 VanDerWaalsContact C-N 3.29Å; V1685-Q1687 PolarHBondContact O-N 3.41Å; Q1687-Q1689 VanDerWaalsContact C-N 3.28Å; Q1687-Q1689 PolarHBondContact O-N 3.32Å; Q1687-N1690 PolarHBondContact O-N 3.17Å; Q1687-N1690 VanDerWaalsContact O-N 3.13Å; Q1687-D1691 PolarHBondContact O-N 3.09Å
1688E53.6Low61.4Low124 Ų124107.1 Ų107.158%0.57953%0.53SS*.Hα-helixtrans-59.4-37.4171.3-77.9-173.6124.900112Q1684 V1685 D1691 I1692Q1684-E1688 PolarHBondContact O-N 2.76Å; V1685-E1688 PolarHBondContact O-N 3.43Å; E1688-D1691 PolarHBondContact O-N 2.87Å; E1688-I1692 WeakPolarHBondContact O-CB 3.36Å; E1688-I1692 WeakPolarHBondContact O-CD1 3.27Å; E1688-I1692 VanDerWaalsContact O-CG1 3.23Å; E1688-I1692 WeakPolarHBondContact O-CG1 3.34Å; E1688-I1692 PolarHBondContact O-N 3.09Å
1689Q55.8Low61.5Low88 Ų88105.1 Ų105.141%0.41153%0.526SS..Hα-helixtrans-66.7-38175.2-169.965.157.200111.7V1685 Q1687 D1691 I1692 D1693V1685-Q1689 VanDerWaalsContact O-CB 3.28Å; V1685-Q1689 WeakPolarHBondContact O-CB 3.42Å; V1685-Q1689 PolarHBondContact O-N 3.11Å; Q1687-Q1689 VanDerWaalsContact C-N 3.28Å; Q1687-Q1689 PolarHBondContact O-N 3.32Å; Q1689-D1691 VanDerWaalsContact C-N 3.35Å; Q1689-I1692 PolarHBondContact O-N 2.82Å; Q1689-D1693 PolarHBondContact NE2-OD1 3.49Å; Q1689-D1693 VanDerWaalsContact O-CB 3.25Å; Q1689-D1693 WeakPolarHBondContact O-CB 3.18Å; Q1689-D1693 PolarHBondContact O-N 3.3Å
1690N58.3Low61.5Low91 Ų91104.1 Ų104.149%0.48752%0.521SS..Hα-helixtrans-67-32.8173.1-86.1-78.6000112.7Q1686 Q1687 Q1694Q1686-N1690 PolarHBondContact O-N 3.46Å; Q1686-N1690 PolarHBondContact O-ND2 2.66Å; Q1687-N1690 PolarHBondContact O-N 3.17Å; Q1687-N1690 VanDerWaalsContact O-N 3.13Å; N1690-Q1694 WeakPolarHBondContact O-CB 3.43Å; N1690-Q1694 VanDerWaalsContact O-CG 3.32Å; N1690-Q1694 WeakPolarHBondContact O-CG 3.38Å; N1690-Q1694 PolarHBondContact O-N 3.43Å; N1690-Q1694 PolarHBondContact O-NE2 3.49Å
1691D66.3Low62Low85 Ų85102.8 Ų102.846%0.45551%0.513SS..Hα-helixtrans-72-38.1172.4-78.5-33.1000112Q1687 E1688 Q1689 Q1695Q1687-D1691 PolarHBondContact O-N 3.09Å; E1688-D1691 PolarHBondContact O-N 2.87Å; Q1689-D1691 VanDerWaalsContact C-N 3.35Å; D1691-Q1695 WeakPolarHBondContact O-CB 3.45Å; D1691-Q1695 VanDerWaalsContact O-CG 3.27Å; D1691-Q1695 WeakPolarHBondContact O-CG 3.29Å; D1691-Q1695 PolarHBondContact O-N 2.98Å
1692I65.1Low62Low73 Ų73101.7 Ų101.737%0.37451%0.508SS..Hα-helixtrans-66.7-42.6174-71.1163.8000110.8E1688 Q1689 Q1695 F1696E1688-I1692 WeakPolarHBondContact O-CB 3.36Å; E1688-I1692 WeakPolarHBondContact O-CD1 3.27Å; E1688-I1692 VanDerWaalsContact O-CG1 3.23Å; E1688-I1692 WeakPolarHBondContact O-CG1 3.34Å; E1688-I1692 PolarHBondContact O-N 3.09Å; Q1689-I1692 PolarHBondContact O-N 2.82Å; I1692-Q1695 PolarHBondContact O-N 2.6Å; I1692-F1696 HydrophobicContact CG2-CD2 4.01Å; I1692-F1696 HydrophobicContact CG2-CE2 4.35Å; I1692-F1696 PolarHBondContact O-N 3.13Å
1693D70.6Confident61.8Low82 Ų82103.5 Ų103.544%0.43951%0.511SS..Hα-helixtrans-69.9-35.4178.9-69.6-11.9000111.1Q1689 F1696 A1697Q1689-D1693 PolarHBondContact NE2-OD1 3.49Å; Q1689-D1693 VanDerWaalsContact O-CB 3.25Å; Q1689-D1693 WeakPolarHBondContact O-CB 3.18Å; Q1689-D1693 PolarHBondContact O-N 3.3Å; D1693-F1696 PolarHBondContact O-N 2.85Å; D1693-A1697 VanDerWaalsContact O-CB 3.31Å; D1693-A1697 WeakPolarHBondContact O-CB 3.47Å; D1693-A1697 PolarHBondContact O-N 3.23Å
1694Q68.6Low61.4Low125 Ų125105.9 Ų105.958%0.58451%0.514SS*.Hα-helixtrans-64.2-42.5167.7-82.1179.495.200112.2N1690 F1696 A1697 E1698N1690-Q1694 WeakPolarHBondContact O-CB 3.43Å; N1690-Q1694 VanDerWaalsContact O-CG 3.32Å; N1690-Q1694 WeakPolarHBondContact O-CG 3.38Å; N1690-Q1694 PolarHBondContact O-N 3.43Å; N1690-Q1694 PolarHBondContact O-NE2 3.49Å; Q1694-F1696 VanDerWaalsContact C-N 3.35Å; Q1694-F1696 PolarHBondContact O-N 3.08Å; Q1694-A1697 WeakPolarHBondContact O-CB 3.32Å; Q1694-A1697 PolarHBondContact O-N 3.39Å; Q1694-E1698 PolarHBondContact O-N 3.38Å
1695Q58.5Low61.3Low130 Ų130104.9 Ų104.961%0.60751%0.509SS*.Hα-helixtrans-63.6-39.6174.6-74.5172.73700111.8D1691 I1692 E1698 V1699D1691-Q1695 WeakPolarHBondContact O-CB 3.45Å; D1691-Q1695 VanDerWaalsContact O-CG 3.27Å; D1691-Q1695 WeakPolarHBondContact O-CG 3.29Å; D1691-Q1695 PolarHBondContact O-N 2.98Å; I1692-Q1695 PolarHBondContact O-N 2.6Å; Q1695-E1698 PolarHBondContact O-N 3.07Å; Q1695-V1699 WeakPolarHBondContact O-CB 3.05Å; Q1695-V1699 VanDerWaalsContact O-CG2 3.26Å; Q1695-V1699 WeakPolarHBondContact O-CG2 3.46Å; Q1695-V1699 PolarHBondContact O-N 3.5Å
1696F61.7Low60.5Low131 Ų131106.4 Ų106.458%0.57552%0.515SS*.Hα-helixtrans-68.6-31.3172.7-97.3-83.7000112.9I1692 D1693 Q1694 N1700I1692-F1696 HydrophobicContact CG2-CD2 4.01Å; I1692-F1696 HydrophobicContact CG2-CE2 4.35Å; I1692-F1696 PolarHBondContact O-N 3.13Å; D1693-F1696 PolarHBondContact O-N 2.85Å; Q1694-F1696 VanDerWaalsContact C-N 3.35Å; Q1694-F1696 PolarHBondContact O-N 3.08Å; F1696-N1700 VanDerWaalsContact O-CB 3.24Å; F1696-N1700 WeakPolarHBondContact O-CB 3.3Å; F1696-N1700 PolarHBondContact O-N 2.85Å; F1696-N1700 PolarHBondContact O-ND2 3.26Å
1697A69.9Low59.8Low59 Ų59104.6 Ų104.649%0.48851%0.509SS..Hα-helixtrans-69.1-44.6172.500000111.5D1693 Q1694 N1700 K1701D1693-A1697 VanDerWaalsContact O-CB 3.31Å; D1693-A1697 WeakPolarHBondContact O-CB 3.47Å; D1693-A1697 PolarHBondContact O-N 3.23Å; Q1694-A1697 WeakPolarHBondContact O-CB 3.32Å; Q1694-A1697 PolarHBondContact O-N 3.39Å; A1697-N1700 PolarHBondContact O-N 3.24Å; A1697-K1701 WeakPolarHBondContact O-CB 3.32Å; A1697-K1701 PolarHBondContact O-N 2.98Å
1698E69Low58.7Low94 Ų94104.9 Ų104.944%0.43951%0.512SS..Hα-helixtrans-65-42.2176-164.869.6-116.800111.2Q1694 Q1695 K1701 Q1702Q1694-E1698 PolarHBondContact O-N 3.38Å; Q1695-E1698 PolarHBondContact O-N 3.07Å; E1698-K1701 WeakPolarHBondContact O-CB 3.47Å; E1698-K1701 PolarHBondContact O-N 3.19Å; E1698-K1701 IonicContact OE1-NZ 2.78Å; E1698-K1701 PolarHBondContact OE1-NZ 2.88Å; E1698-Q1702 WeakPolarHBondContact O-CG 3.5Å; E1698-Q1702 PolarHBondContact O-N 3.05Å
1699V60.5Low58Low79 Ų79105.9 Ų105.948%0.47952%0.517SS..Hα-helixtrans-65.8-42.4174.8169.60000111.6Q1695 K1701 Q1702 F1703Q1695-V1699 WeakPolarHBondContact O-CB 3.05Å; Q1695-V1699 VanDerWaalsContact O-CG2 3.26Å; Q1695-V1699 WeakPolarHBondContact O-CG2 3.46Å; Q1695-V1699 PolarHBondContact O-N 3.5Å; V1699-K1701 VanDerWaalsContact C-N 3.31Å; V1699-K1701 PolarHBondContact O-N 2.95Å; V1699-Q1702 PolarHBondContact O-N 3.37Å; V1699-F1703 WeakPolarHBondContact O-CB 3.29Å; V1699-F1703 PolarHBondContact O-N 3.43Å
1700N59.5Low57Low91 Ų91111.7 Ų111.749%0.48754%0.536SS..Hα-helixtrans-66.5-32.7174-85.4-65.3000112.5F1696 A1697 F1703 R1704F1696-N1700 VanDerWaalsContact O-CB 3.24Å; F1696-N1700 WeakPolarHBondContact O-CB 3.3Å; F1696-N1700 PolarHBondContact O-N 2.85Å; F1696-N1700 PolarHBondContact O-ND2 3.26Å; A1697-N1700 PolarHBondContact O-N 3.24Å; N1700-F1703 PolarHBondContact O-N 2.87Å; N1700-R1704 WeakPolarHBondContact O-CG 3.2Å; N1700-R1704 PolarHBondContact O-N 3.35Å
1701K69.7Low56Low96 Ų96114.4 Ų114.442%0.41755%0.546SS..Hα-helixtrans-66.4-47.5173.6175.8179.2159.4-63.40110.7A1697 E1698 V1699 F1703 R1704 E1705A1697-K1701 WeakPolarHBondContact O-CB 3.32Å; A1697-K1701 PolarHBondContact O-N 2.98Å; E1698-K1701 WeakPolarHBondContact O-CB 3.47Å; E1698-K1701 PolarHBondContact O-N 3.19Å; E1698-K1701 IonicContact OE1-NZ 2.78Å; E1698-K1701 PolarHBondContact OE1-NZ 2.88Å; V1699-K1701 VanDerWaalsContact C-N 3.31Å; V1699-K1701 PolarHBondContact O-N 2.95Å; K1701-F1703 VanDerWaalsContact C-N 3.29Å; K1701-F1703 PolarHBondContact O-N 3.45Å; K1701-R1704 PolarHBondContact O-N 2.93Å; K1701-E1705 WeakPolarHBondContact CE-OE1 3.39Å; K1701-E1705 VanDerWaalsContact CG-OE1 3.32Å; K1701-E1705 WeakPolarHBondContact CG-OE1 3.36Å; K1701-E1705 IonicContact NZ-OE1 3.69Å; K1701-E1705 PolarHBondContact NZ-OE1 3.02Å; K1701-E1705 IonicContact NZ-OE2 2.75Å; K1701-E1705 WeakPolarHBondContact O-CB 3.36Å; K1701-E1705 VanDerWaalsContact O-CG 3.31Å; K1701-E1705 WeakPolarHBondContact O-CG 3.44Å; K1701-E1705 PolarHBondContact O-N 2.71Å
1702Q57Low54.2Low103 Ų103115 Ų11548%0.48156%0.557SS.*Hα-helixtrans-59.4-38.3171.3-71.8178.48.600112.1E1698 V1699 E1705 L1706E1698-Q1702 WeakPolarHBondContact O-CG 3.5Å; E1698-Q1702 PolarHBondContact O-N 3.05Å; V1699-Q1702 PolarHBondContact O-N 3.37Å; Q1702-E1705 PolarHBondContact O-N 3.05Å; Q1702-L1706 WeakPolarHBondContact O-CB 3.3Å; Q1702-L1706 WeakPolarHBondContact O-CG 3.23Å; Q1702-L1706 PolarHBondContact O-N 2.6Å
1703F53.2Low52.7Low140 Ų140118.1 Ų118.161%0.61458%0.575SS**Hα-helixtrans-68.6-37.1176.8-147.4-86.5000112.3V1699 N1700 K1701 N1707V1699-F1703 WeakPolarHBondContact O-CB 3.29Å; V1699-F1703 PolarHBondContact O-N 3.43Å; N1700-F1703 PolarHBondContact O-N 2.87Å; K1701-F1703 VanDerWaalsContact C-N 3.29Å; K1701-F1703 PolarHBondContact O-N 3.45Å; F1703-N1707 VanDerWaalsContact O-CB 3.31Å; F1703-N1707 WeakPolarHBondContact O-CB 3.41Å; F1703-N1707 PolarHBondContact O-N 3.48Å
1704R52.3Low50.9Low193 Ų193119.6 Ų119.673%0.72859%0.591SS**Hα-helixtrans-67.2-42170.9-74.3-176.3-173.5-155.23.9112.2N1700 K1701 L1706 N1707 M1708N1700-R1704 WeakPolarHBondContact O-CG 3.2Å; N1700-R1704 PolarHBondContact O-N 3.35Å; K1701-R1704 PolarHBondContact O-N 2.93Å; R1704-L1706 VanDerWaalsContact C-N 3.34Å; R1704-L1706 PolarHBondContact O-N 3.27Å; R1704-N1707 PolarHBondContact O-N 2.8Å; R1704-M1708 WeakPolarHBondContact O-CG 3.45Å; R1704-M1708 PolarHBondContact O-N 2.85Å
1705E56.4Low49.1Very low84 Ų84119.3 Ų119.339%0.39359%0.593SS.*Hα-helixtrans-62.3-40.1176.3-73.6166.4-171.800111.2K1701 Q1702 Q1709K1701-E1705 WeakPolarHBondContact CE-OE1 3.39Å; K1701-E1705 VanDerWaalsContact CG-OE1 3.32Å; K1701-E1705 WeakPolarHBondContact CG-OE1 3.36Å; K1701-E1705 IonicContact NZ-OE1 3.69Å; K1701-E1705 PolarHBondContact NZ-OE1 3.02Å; K1701-E1705 IonicContact NZ-OE2 2.75Å; K1701-E1705 WeakPolarHBondContact O-CB 3.36Å; K1701-E1705 VanDerWaalsContact O-CG 3.31Å; K1701-E1705 WeakPolarHBondContact O-CG 3.44Å; K1701-E1705 PolarHBondContact O-N 2.71Å; Q1702-E1705 PolarHBondContact O-N 3.05Å; E1705-Q1709 WeakPolarHBondContact O-CG 3.31Å; E1705-Q1709 PolarHBondContact O-N 3.33Å
1706L42.9Very low47.6Very low103 Ų103121 Ų12154%0.53960%0.603SS.*Hα-helixtrans-67.1-40.5171.1-79.9164000112.9Q1702 R1704 Q1709 Y1710Q1702-L1706 WeakPolarHBondContact O-CB 3.3Å; Q1702-L1706 WeakPolarHBondContact O-CG 3.23Å; Q1702-L1706 PolarHBondContact O-N 2.6Å; R1704-L1706 VanDerWaalsContact C-N 3.34Å; R1704-L1706 PolarHBondContact O-N 3.27Å; L1706-Q1709 WeakPolarHBondContact O-CB 3.42Å; L1706-Q1709 PolarHBondContact O-N 2.8Å; L1706-Y1710 PolarHBondContact O-N 3.35Å
1707N47.6Very low46Very low94 Ų94122.6 Ų122.650%0.50361%0.613SS.*Hα-helixtrans-68.5-37.6-179.1-156.170.9000111.8F1703 R1704 Q1709 Y1710F1703-N1707 VanDerWaalsContact O-CB 3.31Å; F1703-N1707 WeakPolarHBondContact O-CB 3.41Å; F1703-N1707 PolarHBondContact O-N 3.48Å; R1704-N1707 PolarHBondContact O-N 2.8Å; N1707-Q1709 VanDerWaalsContact C-N 3.26Å; N1707-Q1709 PolarHBondContact O-N 3.23Å; N1707-Y1710 PolarHBondContact O-N 3.44Å; N1707-Y1710 VanDerWaalsContact O-N 3.1Å
1708M36.7Very low44Very low137 Ų137125.7 Ų125.768%0.67562%0.621SS**Hα-helixtrans-67.2-24.2172.5-67.9-154.6-51.900113.3R1704 Y1710R1704-M1708 WeakPolarHBondContact O-CG 3.45Å; R1704-M1708 PolarHBondContact O-N 2.85Å; M1708-Y1710 PolarHBondContact O-N 2.98Å
1709Q39Very low42.1Very low145 Ų145126.4 Ų126.468%0.67863%0.632SS**Hα-helixtrans-72.1-17.4172.3-73178.911.900113.1E1705 L1706 N1707E1705-Q1709 WeakPolarHBondContact O-CG 3.31Å; E1705-Q1709 PolarHBondContact O-N 3.33Å; L1706-Q1709 WeakPolarHBondContact O-CB 3.42Å; L1706-Q1709 PolarHBondContact O-N 2.8Å; N1707-Q1709 VanDerWaalsContact C-N 3.26Å; N1707-Q1709 PolarHBondContact O-N 3.23Å
1710Y34.8Very low40.7Very low210 Ų210130.4 Ų130.482%0.82465%0.65SS**Hα-helixtrans-86.2-20.1178.9-105-90000114.9L1706 N1707 M1708L1706-Y1710 PolarHBondContact O-N 3.35Å; N1707-Y1710 PolarHBondContact O-N 3.44Å; N1707-Y1710 VanDerWaalsContact O-N 3.1Å; M1708-Y1710 PolarHBondContact O-N 2.98Å
1711E36.2Very low39.1Very low149 Ų149134.7 Ų134.770%0.69667%0.667SS**Hα-helixtrans-87.5-11.5176.6-66.2-174.9120.400113.3N1713E1711-N1713 VanDerWaalsContact C-N 3.29Å; E1711-N1713 PolarHBondContact O-N 3.45Å; E1711-N1713 VanDerWaalsContact O-N 3.1Å
1712S29.8Very low37.3Very low96 Ų96135.1 Ų135.167%0.67168%0.679SS**THydrogen-bonded Turntrans-76.96.5-166.3-171.10000116.4
1713N32.3Very low35.8Very low140 Ų140138.8 Ų138.875%0.74970%0.697SS**THydrogen-bonded Turntrans-148.926.1-171.7-122.9-21.5000118.2E1711E1711-N1713 VanDerWaalsContact C-N 3.29Å; E1711-N1713 PolarHBondContact O-N 3.45Å; E1711-N1713 VanDerWaalsContact O-N 3.1Å
1714S33.1Very low34.7Very low112 Ų112139.4 Ų139.478%0.78371%0.706SS**SBendtrans-97.596.3158.554.80000109.7
1715N30.2Very low33.5Very low119 Ų119136.1 Ų136.164%0.63671%0.709SS**  trans-74.8149.1-170.1-101.1-61.6000114.8
1716M26.8Very low32.4Very low165 Ų165137.3 Ų137.381%0.81372%0.724SS**  trans32.7123.2147.4-61.6-178.6175.900120
1717E28.3Very low31.7Very low166 Ų166138.4 Ų138.478%0.77674%0.735SS**  -161.4136.6114.1-161.379.2133.400112.8
1718N29.5Very low30.8Very low123 Ų123140.2 Ų140.266%0.65874%0.744SS**  trans66.9109.3151.2-83.8-32.5000125.7
1719T28.9Very low30.5Very low110 Ų110141.5 Ų141.568%0.67575%0.749SS**  90.5120.5122.947.40000125.2
1720L30.3Very low29.9Very low163 Ų163143.9 Ų143.985%0.85376%0.76SS**  trans82.3103.6134.2-68.1166.9000122.2
1721Q25.4Very low30Very low180 Ų180139.7 Ų139.784%0.84176%0.758SS**  trans-57165.1138.6-82.9-177.4-10.400111.6
1722P32.1Very low30.1Very low105 Ų105137.3 Ų137.368%0.68276%0.756SS**  cis-153.6-175.936.845.7-25.1000119.9
1723Q26.1Very low29.8Very low180 Ų180140.3 Ų140.384%0.84176%0.759SS**  trans80.6141.6148.2-85.7177.730.500122.7
1724L29.1Very low29.5Very low154 Ų154141.1 Ų141.181%0.80676%0.759SS**  trans-72.2167163.6-48.493000109.6
1725P28.5Very low29.4Very low123 Ų123145.4 Ų145.480%0.79977%0.766SS**  -149.4-14954.149.1-25.6000113.4
1726P32.9Very low29.3Very low109 Ų109146.8 Ų146.871%0.70877%0.769SS**  -135.8-170.9-121.238.1-13.3000115.9
1727V28.2Very low29.3Very low127 Ų127148.1 Ų148.177%0.7777%0.773SS**  trans58.597.9165.4-172.10000115.3
1728D28.8Very low29.6Very low131 Ų131146.5 Ų146.570%0.70177%0.774SS**  -168.1159.278.4-139.7-26.4000113
1729Q29.8Very low29.6Very low165 Ų165148.2 Ų148.277%0.77178%0.783SS**  trans62.8118.8164.2-64.116650.300121
1730Q26.1Very low29.5Very low195 Ų195147.3 Ų147.391%0.91178%0.781SS**  trans64.9141.2171.2-61.7-173.2-31.700118.2
1731P38.3Very low29.3Very low121 Ų121148.1 Ų148.179%0.78678%0.78SS**  cis-115.1-78.8-28.123.6-6.9000118.9
1732P37.8Very low29.7Very low99 Ų99145.3 Ų145.364%0.64378%0.78SS**  -120.3-178.2-93.333.7-16.3000116.4
1733Q24.2Very low29.5Very low160 Ų160151.1 Ų151.175%0.74879%0.79SS**  trans77.7152.1162.3-58.3-161-7.800118.4
1734Q25Very low29.3Very low157 Ų157151.6 Ų151.673%0.73479%0.792SS**  cis-164.5142.2-17.2-113.81783.500110.1
1735Q30.8Very low29.1Very low202 Ų202153.1 Ų153.194%0.94480%0.795SS**  trans-171.1151.7135.9-111.2176.6-2.100110.4
1736Q28.1Very low29.4Very low147 Ų147151.1 Ų151.169%0.68778%0.783SS**  trans-151.1117.4-164-179-176.81.800112.5
1737Q26.8Very low29.1Very low194 Ų194151 Ų15191%0.90778%0.78SS**  trans-155.7124157.6-155.9171.719.600108.6
1738V34.1Very low28.9Very low132 Ų132152.6 Ų152.680%0.878%0.779SS**  trans-137137.6-172.9173.30000110
1739L30.3Very low28.6Very low159 Ų159153.5 Ų153.583%0.83278%0.779SS**  trans-93.5154.2169.3178.165.4000109.4
1740S26.3Very low28.4Very low90 Ų90154.6 Ų154.663%0.62978%0.777SS**SBendtrans75.8122.8178.571.90000117.3
1741E27.5Very low28.4Very low180 Ų180153.9 Ų153.984%0.84177%0.768SS**  trans41.8148.6138-61177.8104.700122.8
1742S34Very low27.8Very low121 Ų121155.8 Ų155.885%0.84677%0.766SS**SBendtrans73.8159-17280.70000115.3
1743Y26.3Very low27.6Very low227 Ų227156.7 Ų156.789%0.8977%0.772SS**SBendtrans-101.2117.5-148.6-80.1-100.5000115.5
1744Q22Very low28.5Very low190 Ų190154.4 Ų154.489%0.88877%0.771SS**  trans179.6170.1130-98170.95.100111.5
1745Q24.7Very low28.9Very low186 Ų186152.4 Ų152.487%0.86977%0.771SS**  trans-138.1165.6-177.5-78-167.73.400111.4
1746P35.4Very low28.6Very low82 Ų82151.8 Ų151.853%0.53277%0.769SS.*  cis-115.2-131.7-6.319.56.3000110.9
1747T27Very low28.6Very low105 Ų105149.4 Ų149.464%0.64477%0.774SS**  cis-171.4166.41.1-20000106.9
1748Q24Very low28.9Very low161 Ų161145.5 Ų145.575%0.75277%0.766SS**  cis-169.5-169.6-14.1-127.3-85-1500108.5
1749Q22.3Very low28.7Very low150 Ų150144.8 Ų144.870%0.70176%0.761SS**  trans72.499.8165.2-72.5-83.3-20.700121.2
1750Y24.7Very low28.6Very low189 Ų189142.3 Ų142.374%0.74175%0.745SS**  94.8104.8129.4-129.8-99.8000123.8
1751Y27.3Very low28.9Very low180 Ų180142 Ų14271%0.70674%0.744SS**  trans70.6-175151-90.2-96.8000121.8
1752E24.5Very low29.1Very low161 Ų161139 Ų13975%0.75273%0.734SS**  -171.4154-117.6171.9-167.996.800112.2
1753P34.8Very low29.2Very low118 Ų118138 Ų13877%0.76672%0.724SS**  cis-134.1-124.4-23.647.1-26000114
1754P41.6Very low29.4Very low112 Ų112137.6 Ų137.673%0.72772%0.722SS**  trans-114.3-177.8-163.547.4-32.6000116.6
1755P33.5Very low29.9Very low114 Ų114132 Ų13274%0.7472%0.716SS**  -157.8152.697.440.7-21000120.4
1756Q25.5Very low30.1Very low190 Ų190132.8 Ų132.889%0.88872%0.719SS**  trans43.9129142.6-61.7-179.8-2000126.7
1757A29Very low29.8Very low97 Ų97132.1 Ų132.180%0.80273%0.728SS**  trans80.2167144.500000122
1758P33.2Very low29.6Very low112 Ų112136.3 Ų136.373%0.72774%0.74SS**  -142.7169.7-56.842.6-26.1000119.1
1759T29.1Very low30Very low116 Ų116133.4 Ų133.471%0.71274%0.735SS**  trans66.2116.1147.647.40000127.7
1760E28.8Very low30.2Very low107 Ų107131.6 Ų131.650%0.574%0.739SS.*  64.4143.8125.1-65.7179.4120.600128.6P1774E1760-P1774 HydrophobicContact CB-CB 4.23Å; E1760-P1774 HydrophobicContact CG-CB 4.01Å; E1760-P1774 WeakPolarHBondContact OE1-CB 3.26Å
1761S32.6Very low30.3Very low85 Ų85131.5 Ų131.559%0.59474%0.739SS**  trans109.1133.9145.970.30000124.8Y1772 D1773S1761-Y1772 CarbonylContact C-O 3.19Å; S1761-Y1772 WeakPolarHBondContact CA-O 3.08Å; S1761-Y1772 PolarHBondContact N-O 2.94Å; S1761-D1773 PolarHBondContact N-O 3.33Å
1762D30Very low30.4Very low117 Ų117129.8 Ų129.863%0.62673%0.732SS**  trans-72.8-174.2-178.3-154.3-131.8000113.5Y1772D1762-Y1772 PolarHBondContact N-O 3.37Å
1763P36.1Very low30.7Very low98 Ų98127.2 Ų127.264%0.63672%0.723SS**  cis-153-174.720.844.1-19.3000122.8
1764Y31.9Very low30.5Very low219 Ų219124.8 Ų124.886%0.85971%0.707SS**  trans78.4110.3163.2-90.8-89.1000121.6
1765G32.4Very low30Very low73 Ų73126.2 Ų126.275%0.75371%0.709SS**  75.2122.1121.500000122.7
1766Q28.9Very low29.9Very low202 Ų202125.4 Ų125.494%0.94471%0.712SS**SBendtrans56.477.6158.3-100.8-80.47.500116.7
1767G29.1Very low30.2Very low69 Ų69118.9 Ų118.971%0.71170%0.695SS**SBendtrans155-171.1159.100000117.3
1768Q23.4Very low30.2Very low192 Ų192121.9 Ų121.990%0.89769%0.693SS**SBendtrans-53.9158.3167.2-80.1-88.7-38.200112.4
1769P31.4Very low30Very low101 Ų101121.6 Ų121.666%0.65669%0.685SS**  -113.2162.4-121.439.7-37.9000115.4
1770S25.7Very low30.1Very low112 Ų112123.7 Ų123.778%0.78369%0.686SS**  trans164.9153.2137.1-77.20000114.5
1771Y28.2Very low30Very low187 Ų187129 Ų12973%0.73370%0.703SS**  trans71.1113.9143.3-99.1-114.1000124.4
1772Y28.8Very low29.8Very low144 Ų144131.4 Ų131.457%0.56571%0.709SS**  6597.3129.6-93.4-89.3000124.3S1761 D1762S1761-Y1772 CarbonylContact C-O 3.19Å; S1761-Y1772 WeakPolarHBondContact CA-O 3.08Å; S1761-Y1772 PolarHBondContact N-O 2.94Å; D1762-Y1772 PolarHBondContact N-O 3.37Å
1773D30.7Very low30Very low107 Ų107130.6 Ų130.657%0.57271%0.711SS**  28.6125.3118.2-166.721000119.9S1761 N1775S1761-D1773 PolarHBondContact N-O 3.33Å; D1773-N1775 PolarHBondContact OD1-N 3.19Å
1774P30Very low29.6Very low66 Ų66133.6 Ų133.643%0.42972%0.721SS.*  -142.1134.5121.536.3-22.3000114.8E1760E1760-P1774 HydrophobicContact CB-CB 4.23Å; E1760-P1774 HydrophobicContact CG-CB 4.01Å; E1760-P1774 WeakPolarHBondContact OE1-CB 3.26Å
1775N31.7Very low29.6Very low143 Ų143127.5 Ų127.577%0.76572%0.716SS**  trans-152.8139.9158.6-163.815000114.1D1773D1773-N1775 PolarHBondContact OD1-N 3.19Å
1776A31.8Very low29.6Very low97 Ų97128.5 Ų128.580%0.80272%0.717SS**  trans-144.3112173.800000110.8
1777G31.2Very low29.6Very low52 Ų52126 Ų12654%0.53671%0.705SS.*  trans164.7119.7170.400000117.7
1778Q28.7Very low29.5Very low160 Ų160128 Ų12875%0.74870%0.696SS**  trans80.3133.3142.8-64.7-74.761.600121.7
1779L29.9Very low29.7Very low107 Ų107127 Ų12756%0.5669%0.691SS**  trans66.4128.6161.9-50.7-155.7000116.5
1780H29.9Very low29.5Very low160 Ų160131.7 Ų131.774%0.74170%0.697SS**  cis71.6100.627.5-156.393.3000113.5
1781Y27.5Very low29.5Very low218 Ų218132.4 Ų132.486%0.85569%0.693SS**  trans-147.7109174.4-123.7-79.8000112.4
1782D27.9Very low29.4Very low136 Ų136130.6 Ų130.673%0.72769%0.691SS**  trans-153.9161.4160.8-147.26.9000105.1
1783P35.5Very low29.3Very low100 Ų100132 Ų13265%0.64970%0.703SS**  -115.4172.3-80.835.8-28.7000115.4
1784N27.1Very low29.3Very low160 Ų160135.8 Ų135.886%0.85672%0.717SS**  trans91.3142.7149.5-135-5.6000120.8
1785A32.6Very low29.5Very low92 Ų92137.9 Ų137.976%0.7673%0.73SS**  trans58.7142.917300000120.6
1786A31.5Very low29.3Very low93 Ų93140 Ų14077%0.76974%0.736SS**  cis-162.9140.1-24.900000112.5
1787Q27.8Very low29.5Very low150 Ų150139.7 Ų139.770%0.70173%0.726SS**  trans66.6123.2156.1-90-167.97.900123.3
1788H29Very low29.3Very low112 Ų112144 Ų14452%0.51973%0.731SS.*  trans67.8154.7163.3-48.9-60.9000116.9Q1838H1788-Q1838 PolarHBondContact CD2-NE2 3.26Å; H1788-Q1838 PolarHBondContact NE2-NE2 3.3Å
1789Q27.3Very low29.7Very low169 Ų169140.9 Ų140.979%0.7973%0.725SS**  cis-148.7159.412.2-163.3176.1-52.900111.8
1790Y26Very low29.6Very low200 Ų200142.5 Ų142.578%0.78474%0.74SS**  trans11.5144.7165-91.7-96.2000124.7
1791D27Very low29.9Very low128 Ų128140.1 Ų140.168%0.68474%0.739SS**  trans89.4176.2149.2-121.7-54.9000120.5
1792Q26.3Very low29.9Very low148 Ų148135.2 Ų135.269%0.69274%0.736SS**  trans-81.1166-147.9-81.916375.700119.5
1793Q26.6Very low29.8Very low175 Ų175139.1 Ų139.182%0.81874%0.742SS**  trans92.3150.1155.9-72.1146.750.900118.6
1794Q28.8Very low29.5Very low186 Ų186137.7 Ų137.787%0.86975%0.745SS**  trans-104.9-166.8-170.8-40.2168.8-60.900109.7
1795P34.9Very low29.7Very low110 Ų110137.9 Ų137.971%0.71474%0.741SS**  cis-141.5150.7-13.232.1-10.1000118
1796Q27.7Very low29.4Very low187 Ų187141.3 Ų141.387%0.87475%0.745SS**  trans62.7167139.9-92.9-157.7-17.200124.1
1797P36.6Very low29.4Very low91 Ų91145.1 Ų145.159%0.59175%0.747SS**  -145.5-162.5-129.843.6-20000119.8
1798Q27.4Very low29.9Very low141 Ų141143.2 Ų143.266%0.65975%0.747SS**  trans86.4168.5154.3-79.1-173.716.400120.6
1799P36.8Very low30.1Very low96 Ų96141.2 Ų141.262%0.62376%0.757SS**  -141.5177.6-50.541.5-25000115.5
1800T28.2Very low30.2Very low140 Ų140139.4 Ų139.486%0.85976%0.758SS**  trans-172159.7151.88.30000113.6
1801P34.4Very low30.3Very low111 Ų111138.9 Ų138.972%0.72176%0.762SS**  trans-128.8167.5-169.842.1-28.1000119
1802S28.4Very low30.4Very low114 Ų114136.8 Ų136.880%0.79776%0.763SS**  trans76.5149.8156.9-72.50000120.2
1803Y26.9Very low30.6Very low219 Ų219139.4 Ų139.486%0.85977%0.768SS**  cis-170.5156.9-19.6-156.9-88.9000110.5
1804G28.3Very low30.7Very low69 Ų69139 Ų13971%0.71177%0.766SS**  trans163.6164.8169.200000116.6
1805Q31.4Very low31.5Very low164 Ų164136.1 Ų136.177%0.76676%0.764SS**  trans-150.6148.1178.1-163.7-16024.200111.8
1806I26.9Very low31.3Very low165 Ų165134.2 Ų134.285%0.84676%0.764SS**  trans159147.4145.9-83.4158.2000111.1
1807E30.2Very low31.6Very low173 Ų173134.9 Ų134.981%0.80877%0.767SS**  trans-99.5-173.2-177.4-113.7-157.1132.400113.4
1808P38.9Very low31.6Very low109 Ų109134.3 Ų134.371%0.70877%0.77SS**  cis-135.6173.3-10.938-19.7000116.8
1809G32.4Very low31.9Very low70 Ų70134.5 Ų134.572%0.72278%0.781SS**  trans73160.2156.900000119.5
1810T30.3Very low31.9Very low132 Ų132134.4 Ų134.481%0.8179%0.788SS**  cis-162.9162.2-2.4-28.30000110.7
1811E28.6Very low31.9Very low188 Ų188135 Ų13588%0.87979%0.786SS**  trans68.1151.6162.6-66.4-177.3144.900119.6
1812A28.5Very low32.4Very low85 Ų85134.8 Ų134.870%0.70279%0.785SS**  cis-170.4151.6-13.900000115.3
1813Y29.6Very low32.6Very low203 Ų203134.2 Ų134.280%0.79679%0.787SS**  trans72.9109.2147.1-92-111.6000127.6
1814Q30.5Very low33Very low167 Ų167128.1 Ų128.178%0.7878%0.782SS**  78.7159.4119.7-75.3-153.7-32.800127.4
1815P44Very low33.3Very low125 Ų125132 Ų13281%0.81279%0.791SS**  trans-141.1-164.4-147.547.6-29000119.6
1816G31.2Very low33.7Very low70 Ų70129.4 Ų129.472%0.72279%0.789SS**  trans157.4126.615000000124.6
1817Q33.5Very low33.9Very low201 Ų201127.8 Ų127.894%0.93979%0.792SS**  trans61.7156.9138.7-64-178.1-22.200125.5
1818A36.7Very low34.1Very low79 Ų79123.4 Ų123.465%0.65379%0.793SS**  cis-177166-25.100000116.8
1819T34.8Very low33.7Very low145 Ų145130.1 Ų130.189%0.8981%0.806SS**  trans77.7162.7159.366.80000124.3
1820A36.1Very low33.7Very low93 Ų93130.3 Ų130.377%0.76981%0.809SS**  cis-177.8135.9-37.800000118.2
1821D28Very low33.6Very low154 Ų154134.6 Ų134.682%0.82481%0.811SS**  trans78.80134.9-120.828.9000128.9
1822P44.6Very low33.6Very low106 Ų106132.2 Ų132.269%0.68881%0.805SS**  0-171.7048.8-28.4000122.1
1823A32.9Very low33.7Very low101 Ų101137.7 Ų137.784%0.83581%0.809SS**  trans137.9145.1137.300000123.5
1824A34.9Very low33.7Very low92 Ų92138.1 Ų138.176%0.7681%0.809SS**  trans106.2103.7138.600000128.3
1825V35.8Very low33.5Very low149 Ų149135.1 Ų135.190%0.90381%0.807SS**  trans61.7156.8141.5-73.50000127.8
1826P38.7Very low32.7Very low111 Ų111131.9 Ų131.972%0.72180%0.796SS**  trans-137.9178.2-151.946.8-30.5000120.7
1827S31.9Very low32.6Very low131 Ų131134.6 Ų134.692%0.91680%0.799SS**  trans164.6141.3138.7-75.60000116.3
1828G34.1Very low32.4Very low81 Ų81129.9 Ų129.984%0.83578%0.777SS**  trans165.4150.5167.600000116.9
1829Y30.2Very low31.9Very low249 Ų249133.4 Ų133.498%0.97678%0.78SS**  trans-100.4149.3-175.3-90.2-101.6000114.9
1830G32.1Very low32.3Very low75 Ų75131.5 Ų131.577%0.77377%0.77SS**  trans-176.3160.2169.400000112.2
1831Y27.9Very low32.2Very low221 Ų221132.8 Ų132.887%0.86777%0.77SS**  trans-117.3163.5-171.3-118-97000114.4
1832D30.5Very low32.2Very low138 Ų138136.7 Ų136.774%0.73878%0.775SS**  trans89.4129.3161.2-66.2-37000123.2
1833Y30.3Very low31.5Very low201 Ų201134.6 Ų134.679%0.78877%0.773SS**  trans71.6102.1153.3-100.3-103.4000124.2
1834W28.7Very low31.4Very low211 Ų211137.5 Ų137.580%0.79977%0.774SS**  trans48.693.7139.6-71.582.9000122.8
1835S26.6Very low31.1Very low105 Ų105141.9 Ų141.973%0.73478%0.779SS**  56.1115125.2660000123.6
1836G28.2Very low31.1Very low57 Ų57139.8 Ų139.859%0.58877%0.768SS**  trans94.9140151.600000116
1837T28.6Very low30.7Very low127 Ų127141 Ų14178%0.77977%0.769SS**  cis-163172.7-0.7-1.20000109.9
1838Q28.2Very low30.6Very low101 Ų101141.4 Ų141.447%0.47276%0.756SS.*  trans75.2144.7174.6-50.8-54.150.100116.8H1788H1788-Q1838 PolarHBondContact CD2-NE2 3.26Å; H1788-Q1838 PolarHBondContact NE2-NE2 3.3Å
1839Q26.2Very low30.4Very low153 Ų153143.2 Ų143.272%0.71575%0.747SS**  cis-155.1176.9-7.1-115.8-177.711.300111.8
1840P43.9Very low30.4Very low106 Ų106139.5 Ų139.569%0.68874%0.738SS**  trans-99-165.5-160.642.1-41.7000116.2
1841P34.3Very low30.2Very low119 Ų119140.6 Ų140.677%0.77374%0.74SS**  -152148.7108.539-21.7000119.6
1842Y28.5Very low30.4Very low236 Ų236134.3 Ų134.393%0.92573%0.734SS**  trans34152.2134.3-92.3-99.8000126.8
1843G28.3Very low30.5Very low63 Ų63135.8 Ų135.865%0.64974%0.741SS**  trans165.1110152.700000116.7
1844D30.6Very low30.6Very low161 Ų161134.2 Ų134.286%0.86174%0.738SS**  trans58.1146.1159-60.6-14.7000121.8
1845E29.9Very low30.7Very low185 Ų185130 Ų13086%0.86473%0.731SS**  cis-131.8167.11.9-82.9-156.3126.200113
1846P35.1Very low30.8Very low104 Ų104134.3 Ų134.368%0.67574%0.74SS**  trans-121.7162.1-173.342.1-30.6000117.9
1847N29.7Very low30.8Very low138 Ų138141.2 Ų141.274%0.73876%0.757SS**  trans52.1149.4146.9-74.626.7000121.8
1848E30Very low30.8Very low138 Ų138144.5 Ų144.565%0.64576%0.764SS**  cis-162.4153.72.4-129.2172.611100113
1849N30.3Very low30.9Very low119 Ų119148.9 Ų148.964%0.63678%0.784SS**  trans65.4155.4151.8-64.1-35.3000119.7
1850Q30.4Very low31.3Very low171 Ų171148.3 Ų148.380%0.79979%0.786SS**  cis-150.8136.511.3-147.2159.863.200114.7
1851A28.2Very low31Very low98 Ų98152.3 Ų152.381%0.8180%0.795SS**  trans25.8126.2150.700000123.9
1852A32.2Very low31.1Very low90 Ų90153.8 Ų153.874%0.74479%0.792SS**  trans-163.9149131.300000110.5
1853L31.7Very low31.6Very low169 Ų169148.5 Ų148.589%0.88578%0.776SS**  trans64106-174.3-48.1-179.9000112.2
1854K32.5Very low32.3Very low167 Ų167151.4 Ų151.473%0.72678%0.776SS**  cis75.9104.121.7-98.1-155.6158-66.20116.4
1855D30.7Very low33Very low122 Ų122151 Ų15165%0.65277%0.769SS**  trans60.495.2143.7-32.1-26.5000119.7
1856E28.7Very low33.5Very low197 Ų197146.1 Ų146.192%0.92175%0.746SS**  175.399.8129.3-101.3176.5-152.700110.3
1857E29.6Very low34Very low202 Ų202145.8 Ų145.894%0.94474%0.736SS**  trans-178.270.3154.3-107.6172-156.100110.1
1858E28.3Very low35.2Very low195 Ų195145.2 Ų145.291%0.91173%0.732SS**  trans-124.587.5164-82.1-172.9146.400108.2
1859E29.4Very low36.1Very low193 Ų193142.2 Ų142.290%0.90272%0.719SS**  trans-178.682.5163.1-110.8179.3-146.100110.1
1860D34.9Very low37.1Very low141 Ų141138.4 Ų138.475%0.75470%0.698SS**SBendtrans-164.4-10.9158.1-116.8-14.2000116
1861E38.3Very low38.5Very low190 Ų190137.2 Ų137.289%0.88869%0.687SS**SBendtrans-89.4-9.2178.6-67.6-165.7134.500115.2Q1863E1861-Q1863 PolarHBondContact O-N 3.48Å
1862E36.3Very low40.3Very low151 Ų151134.7 Ų134.771%0.70667%0.666SS**Hα-helixtrans-77.1-9.7-177.2-84.7-152.4132.300115.8Q1866E1862-Q1866 WeakPolarHBondContact O-CG 3.48Å; E1862-Q1866 PolarHBondContact O-NE2 3.13Å
1863Q38.9Very low41.6Very low125 Ų125133.5 Ų133.558%0.58464%0.644SS**Hα-helixtrans-83.1-28.9-170-64.3-168.633.200114.8E1861 Q1867E1861-Q1863 PolarHBondContact O-N 3.48Å; Q1863-Q1867 PolarHBondContact O-N 3.38Å
1864D43.3Very low43.1Very low123 Ų123129.9 Ų129.966%0.65862%0.623SS**Hα-helixtrans-82-36.8-176.7-95.7-28.1000113.4Q1866 Q1867 I1868D1864-Q1866 VanDerWaalsContact C-N 3.32Å; D1864-Q1866 PolarHBondContact O-N 3.27Å; D1864-Q1867 WeakPolarHBondContact O-CB 2.94Å; D1864-Q1867 PolarHBondContact O-N 3.34Å; D1864-Q1867 VanDerWaalsContact O-N 3.11Å; D1864-I1868 PolarHBondContact O-N 3.45Å
1865E43.8Very low44.4Very low153 Ų153127.4 Ų127.472%0.71561%0.614SS**Hα-helixtrans-65.6-35.8175.4-71-148.3103.300112.1Q1867 I1868 L1869E1865-Q1867 VanDerWaalsContact C-N 3.3Å; E1865-Q1867 PolarHBondContact O-N 2.81Å; E1865-I1868 PolarHBondContact O-N 3.11Å; E1865-L1869 WeakPolarHBondContact O-CG 2.94Å; E1865-L1869 PolarHBondContact O-N 2.84Å
1866Q40.7Very low45.8Very low82 Ų82126.4 Ų126.438%0.38361%0.607SS.*Hα-helixtrans-62.1-38.6172.4-67.7-173.54900111H12 E1862 D1864 I1868 L1869H12-Q1866 WeakPolarHBondContact CB-O 3.32Å; H12-Q1866 CarbonylContact O-C 3.28Å; E1862-Q1866 WeakPolarHBondContact O-CG 3.48Å; E1862-Q1866 PolarHBondContact O-NE2 3.13Å; D1864-Q1866 VanDerWaalsContact C-N 3.32Å; D1864-Q1866 PolarHBondContact O-N 3.27Å; Q1866-I1868 VanDerWaalsContact C-N 3.29Å; Q1866-I1868 PolarHBondContact O-N 3.16Å; Q1866-L1869 PolarHBondContact O-N 3.14Å
1867Q47Very low47.3Very low98 Ų98122.5 Ų122.546%0.45859%0.592SS.*Hα-helixtrans-59.3-37.3178.5-159.9160.8133.900113.4P11 H12 Q1863 D1864 E1865P11-Q1867 HydrophobicContact CB-CB 3.85Å; P11-Q1867 HydrophobicContact CB-CG 3.64Å; P11-Q1867 HydrophobicContact CG-CB 3.65Å; P11-Q1867 HydrophobicContact CG-CG 3.98Å; H12-Q1867 PolarHBondContact ND1-O 3.33Å; Q1863-Q1867 PolarHBondContact O-N 3.38Å; D1864-Q1867 WeakPolarHBondContact O-CB 2.94Å; D1864-Q1867 PolarHBondContact O-N 3.34Å; D1864-Q1867 VanDerWaalsContact O-N 3.11Å; E1865-Q1867 VanDerWaalsContact C-N 3.3Å; E1865-Q1867 PolarHBondContact O-N 2.81Å
1868I54.1Low48.5Very low126 Ų126119.9 Ų119.965%0.64658%0.58SS**Hα-helixtrans-74.9-37.3179.4-63.3175.4000111.1D1864 E1865 Q1866 Q1870 Y1871 A1872D1864-I1868 PolarHBondContact O-N 3.45Å; E1865-I1868 PolarHBondContact O-N 3.11Å; Q1866-I1868 VanDerWaalsContact C-N 3.29Å; Q1866-I1868 PolarHBondContact O-N 3.16Å; I1868-Q1870 PolarHBondContact O-N 3.49Å; I1868-Y1871 WeakPolarHBondContact O-CB 3.14Å; I1868-Y1871 PolarHBondContact O-N 3.25Å; I1868-Y1871 VanDerWaalsContact O-N 3.13Å; I1868-A1872 PolarHBondContact O-N 3.37Å
1869L48.5Very low49.6Very low74 Ų74116.9 Ų116.939%0.38757%0.566SS.*Hα-helixtrans-69.1-34.1-171.9-75.7169.2000115.1Q13 Q14 E1865 Q1866 Y1871 A1872 K1873Q13-L1869 CarbonylContact O-C 3.55Å; Q13-L1869 VanDerWaalsContact O-C 3.28Å; Q13-L1869 VanDerWaalsContact O-CB 3.28Å; Q13-L1869 WeakPolarHBondContact O-CB 3.34Å; Q14-L1869 HydrophobicContact CB-CB 4.04Å; Q14-L1869 HydrophobicContact CB-CD1 4.48Å; Q14-L1869 HydrophobicContact CG-CB 3.93Å; Q14-L1869 PolarHBondContact NE2-O 3.39Å; E1865-L1869 WeakPolarHBondContact O-CG 2.94Å; E1865-L1869 PolarHBondContact O-N 2.84Å; Q1866-L1869 PolarHBondContact O-N 3.14Å; L1869-Y1871 VanDerWaalsContact C-N 3.34Å; L1869-A1872 PolarHBondContact O-N 3.1Å; L1869-K1873 PolarHBondContact O-N 3.28Å
1870Q51.9Low50.9Low40 Ų40111.2 Ų111.219%0.18755%0.545CS..Hα-helixtrans-72.4-27.9170.4177.4154.4127.600112.6H12 Q13 I1868 A1872 K1873 Q1874H12-Q1870 VanDerWaalsContact CA-CB 3.42Å; H12-Q1870 HydrophobicContact CB-CB 3.15Å; H12-Q1870 HydrophobicContact CB-CG 4.09Å; H12-Q1870 PolarHBondContact CD2-OE1 3.22Å; H12-Q1870 PolarHBondContact NE2-OE1 3.09Å; Q13-Q1870 HydrophobicContact CB-CB 3.7Å; Q13-Q1870 HydrophobicContact CB-CG 4.16Å; Q13-Q1870 VanDerWaalsContact CD-CG 3.45Å; Q13-Q1870 HydrophobicContact CG-CB 4.25Å; Q13-Q1870 HydrophobicContact CG-CG 4.13Å; Q13-Q1870 PolarHBondContact O-N 3.04Å; Q13-Q1870 VanDerWaalsContact O-N 3.11Å; Q13-Q1870 VanDerWaalsContact OE1-CG 3.27Å; I1868-Q1870 PolarHBondContact O-N 3.49Å; Q1870-A1872 PolarHBondContact O-N 2.73Å; Q1870-K1873 PolarHBondContact O-N 2.94Å; Q1870-Q1874 HydrophobicContact CG-CB 4.29Å; Q1870-Q1874 WeakPolarHBondContact O-CA 3.43Å; Q1870-Q1874 WeakPolarHBondContact O-CB 3.1Å; Q1870-Q1874 PolarHBondContact O-N 3.47Å
1871Y59.4Low51.7Low146 Ų146111.9 Ų111.957%0.57354%0.541SS*.Hα-helixtrans-62.2-40.3176.7-151.7-101.1000109.7I1868 L1869 Q1875I1868-Y1871 WeakPolarHBondContact O-CB 3.14Å; I1868-Y1871 PolarHBondContact O-N 3.25Å; I1868-Y1871 VanDerWaalsContact O-N 3.13Å; L1869-Y1871 VanDerWaalsContact C-N 3.34Å; Y1871-Q1875 VanDerWaalsContact CE1-NE2 3.29Å; Y1871-Q1875 WeakPolarHBondContact O-CG 3.48Å; Y1871-Q1875 PolarHBondContact O-N 3.46Å
1872A66.1Low52.2Low44 Ų44109.4 Ų109.436%0.36453%0.529SS..Hα-helixtrans-64.3-56.6171.700000113.5I1868 L1869 Q1870 Q1874 Q1875 I1876I1868-A1872 PolarHBondContact O-N 3.37Å; L1869-A1872 PolarHBondContact O-N 3.1Å; Q1870-A1872 PolarHBondContact O-N 2.73Å; A1872-Q1874 VanDerWaalsContact C-N 3.28Å; A1872-Q1874 PolarHBondContact O-N 3.48Å; A1872-Q1875 PolarHBondContact O-N 2.85Å; A1872-I1876 WeakPolarHBondContact O-CG1 3.41Å; A1872-I1876 PolarHBondContact O-N 3.47Å; A1872-I1876 VanDerWaalsContact O-N 3.1Å
1873K59.1Low52.7Low66 Ų66109.4 Ų109.429%0.28753%0.529SS..Hα-helixtrans-63.5-31.8-178.3-123.7-157.3-171.3-179.90112.4Q13 Q14 Q15 L1869 Q1870 I1876 L1877Q13-K1873 HydrophobicContact CB-CD 4.25Å; Q13-K1873 HydrophobicContact CG-CD 4.09Å; Q14-K1873 HydrophobicContact CG-CB 4.13Å; Q14-K1873 HydrophobicContact CG-CD 3.84Å; Q14-K1873 HydrophobicContact CG-CG 3.87Å; Q15-K1873 WeakPolarHBondContact O-CE 3.26Å; Q15-K1873 PolarHBondContact O-NZ 3.15Å; L1869-K1873 PolarHBondContact O-N 3.28Å; Q1870-K1873 PolarHBondContact O-N 2.94Å; K1873-I1876 PolarHBondContact O-N 3.36Å; K1873-L1877 WeakPolarHBondContact O-CB 3.34Å; K1873-L1877 PolarHBondContact O-N 3.47Å
1874Q63.2Low53Low92 Ų92109.8 Ų109.843%0.4353%0.531SS..Hα-helixtrans-70.5-35.6-179.1-169.1178.1103.800111.3Q1870 A1872 Q1878Q1870-Q1874 HydrophobicContact CG-CB 4.29Å; Q1870-Q1874 WeakPolarHBondContact O-CA 3.43Å; Q1870-Q1874 WeakPolarHBondContact O-CB 3.1Å; Q1870-Q1874 PolarHBondContact O-N 3.47Å; A1872-Q1874 VanDerWaalsContact C-N 3.28Å; A1872-Q1874 PolarHBondContact O-N 3.48Å; Q1874-Q1878 WeakPolarHBondContact O-CB 3.39Å; Q1874-Q1878 PolarHBondContact O-N 3.41Å; Q1874-Q1878 VanDerWaalsContact O-N 3.15Å
1875Q60.4Low52.9Low115 Ų115110.5 Ų110.554%0.53753%0.534SS..Hα-helixtrans-66.8-44.3169.1-69.9-172.118.700111.9Y1871 A1872 L1877 Q1878 Q1879Y1871-Q1875 VanDerWaalsContact CE1-NE2 3.29Å; Y1871-Q1875 WeakPolarHBondContact O-CG 3.48Å; Y1871-Q1875 PolarHBondContact O-N 3.46Å; A1872-Q1875 PolarHBondContact O-N 2.85Å; Q1875-L1877 PolarHBondContact O-N 3.23Å; Q1875-Q1878 WeakPolarHBondContact O-CB 3.31Å; Q1875-Q1878 PolarHBondContact O-N 3.33Å; Q1875-Q1878 VanDerWaalsContact O-N 3.12Å; Q1875-Q1879 PolarHBondContact O-N 2.84Å
1876I60.1Low52.6Low101 Ų101111.5 Ų111.552%0.51854%0.539SS..Hα-helixtrans-59.4-47.5177.1-67168.4000110.7A1872 K1873 Q1878 Q1879 T1880A1872-I1876 WeakPolarHBondContact O-CG1 3.41Å; A1872-I1876 PolarHBondContact O-N 3.47Å; A1872-I1876 VanDerWaalsContact O-N 3.1Å; K1873-I1876 PolarHBondContact O-N 3.36Å; I1876-Q1878 PolarHBondContact O-N 2.88Å; I1876-Q1879 PolarHBondContact O-N 3.39Å; I1876-Q1879 VanDerWaalsContact O-N 3.12Å; I1876-T1880 PolarHBondContact O-N 2.84Å; I1876-T1880 PolarHBondContact O-OG1 3.16Å; I1876-T1880 VanDerWaalsContact O-OG1 3.04Å
1877L59.2Low52.4Low115 Ų115116.3 Ų116.360%0.60256%0.561SS**Hα-helixtrans-62.8-29.5178.2-162.173.3000112.2K1873 Q1875 K1881K1873-L1877 WeakPolarHBondContact O-CB 3.34Å; K1873-L1877 PolarHBondContact O-N 3.47Å; Q1875-L1877 PolarHBondContact O-N 3.23Å; L1877-K1881 VanDerWaalsContact O-CB 3.3Å; L1877-K1881 WeakPolarHBondContact O-CB 3.47Å; L1877-K1881 PolarHBondContact O-N 3.33Å; L1877-K1881 VanDerWaalsContact O-N 3.12Å
1878Q55.5Low51.7Low148 Ų148119.8 Ų119.869%0.69258%0.577SS**Hα-helixtrans-71.9-39.9174.6-161.6169.6108.100111.8Q1874 Q1875 I1876 Q1882Q1874-Q1878 WeakPolarHBondContact O-CB 3.39Å; Q1874-Q1878 PolarHBondContact O-N 3.41Å; Q1874-Q1878 VanDerWaalsContact O-N 3.15Å; Q1875-Q1878 WeakPolarHBondContact O-CB 3.31Å; Q1875-Q1878 PolarHBondContact O-N 3.33Å; Q1875-Q1878 VanDerWaalsContact O-N 3.12Å; I1876-Q1878 PolarHBondContact O-N 2.88Å; Q1878-Q1882 PolarHBondContact O-N 3.48Å
1879Q52.4Low50.5Low131 Ų131122.1 Ų122.161%0.61259%0.586SS**Hα-helixtrans-65.1-46.2170.9-83.9-169.3-4.300112.6Q1875 I1876 K1881 Q1882 Q1883Q1875-Q1879 PolarHBondContact O-N 2.84Å; I1876-Q1879 PolarHBondContact O-N 3.39Å; I1876-Q1879 VanDerWaalsContact O-N 3.12Å; Q1879-K1881 VanDerWaalsContact C-N 3.26Å; Q1879-K1881 PolarHBondContact O-N 2.76Å; Q1879-Q1882 WeakPolarHBondContact O-CB 3.42Å; Q1879-Q1882 PolarHBondContact O-N 3.03Å; Q1879-Q1883 PolarHBondContact O-N 3.1Å
1880T55.8Low49.7Very low75 Ų75127 Ų12746%0.4661%0.606SS.*Hα-helixtrans-58.1-42178.4-470000111.1I1876 Q1882 Q1883 Q1884I1876-T1880 PolarHBondContact O-N 2.84Å; I1876-T1880 PolarHBondContact O-OG1 3.16Å; I1876-T1880 VanDerWaalsContact O-OG1 3.04Å; T1880-Q1882 PolarHBondContact O-N 3.29Å; T1880-Q1883 PolarHBondContact O-N 3.29Å; T1880-Q1884 WeakPolarHBondContact O-CB 3.43Å; T1880-Q1884 PolarHBondContact O-N 3.44Å
1881K50.7Low48.9Very low155 Ų155132.1 Ų132.167%0.67464%0.64SS**Hα-helixtrans-68.4-20.8177.5-162.1167.7-171.9173.60113.5L1877 Q1879L1877-K1881 VanDerWaalsContact O-CB 3.3Å; L1877-K1881 WeakPolarHBondContact O-CB 3.47Å; L1877-K1881 PolarHBondContact O-N 3.33Å; L1877-K1881 VanDerWaalsContact O-N 3.12Å; Q1879-K1881 VanDerWaalsContact C-N 3.26Å; Q1879-K1881 PolarHBondContact O-N 2.76Å
1882Q48.8Very low47.4Very low137 Ų137136.8 Ų136.864%0.6466%0.657SS**Hα-helixtrans-84.7-36175.5-158.7170.740.300112.3Q1878 Q1879 T1880Q1878-Q1882 PolarHBondContact O-N 3.48Å; Q1879-Q1882 WeakPolarHBondContact O-CB 3.42Å; Q1879-Q1882 PolarHBondContact O-N 3.03Å; T1880-Q1882 PolarHBondContact O-N 3.29Å
1883Q46.9Very low45.7Very low151 Ų151139.4 Ų139.471%0.70667%0.673SS**Hα-helixtrans-72.2-37.6174-71.9-173.3-6.400112.8Q1879 T1880 L1885 Q1886Q1879-Q1883 PolarHBondContact O-N 3.1Å; T1880-Q1883 PolarHBondContact O-N 3.29Å; Q1883-L1885 PolarHBondContact O-N 3.46Å; Q1883-Q1886 PolarHBondContact O-N 2.85Å; Q1883-Q1886 VanDerWaalsContact O-N 3.12Å
1884Q45.6Very low44.5Very low133 Ų133144 Ų14462%0.62170%0.7SS**Hα-helixtrans-64.3-26.8-179.6-160.1162.935.300112.8T1880 Q1886 Q1887T1880-Q1884 WeakPolarHBondContact O-CB 3.43Å; T1880-Q1884 PolarHBondContact O-N 3.44Å; Q1884-Q1886 PolarHBondContact O-N 3.15Å; Q1884-Q1887 PolarHBondContact O-N 3.38Å
1885L41.3Very low42.9Very low139 Ų139143.3 Ų143.373%0.72872%0.718SS**THydrogen-bonded Turntrans-74.6-1.4175.9-94164.6000115.1Q1883Q1883-L1885 PolarHBondContact O-N 3.46Å
1886Q37.8Very low41.4Very low174 Ų174142.6 Ų142.681%0.81373%0.731SS**THydrogen-bonded Turntrans-107.5-0.5174.8-67.7-170.74.300114.6Q1883 Q1884Q1883-Q1886 PolarHBondContact O-N 2.85Å; Q1883-Q1886 VanDerWaalsContact O-N 3.12Å; Q1884-Q1886 PolarHBondContact O-N 3.15Å
1887Q35.8Very low39.8Very low182 Ų182142.7 Ų142.785%0.8575%0.747SS**THydrogen-bonded Turntrans-108.3-11.3178.1-90.2-175.33.700115.9Q1884 Q1889Q1884-Q1887 PolarHBondContact O-N 3.38Å; Q1887-Q1889 PolarHBondContact O-N 3.26Å
1888E33.7Very low38.3Very low171 Ų171142.5 Ų142.580%0.79976%0.756SS**  trans-102.263.7177.3-67.6-167.5112.200113
1889Q29.3Very low36.9Very low175 Ų175142.2 Ų142.282%0.81876%0.757SS**  trans-126.434.2167.4-84.8-150.343.700114.2Q1887Q1887-Q1889 PolarHBondContact O-N 3.26Å
1890H30.4Very low35.6Very low178 Ų178141.4 Ų141.482%0.82476%0.758SS**SBendtrans-145.4147.2162.4-104.626.8000113.4
1891T35.7Very low34.2Very low147 Ų147139 Ų13990%0.90274%0.742SS**  trans71.5146.5-17575.80000116.6
1892R28.2Very low33Very low243 Ų243141.2 Ų141.292%0.91775%0.746SS**  trans-131.8148.8-178-68.2173.7170.6168.9-4.6108.9
1893S30.6Very low32.1Very low99 Ų99142.1 Ų142.169%0.69275%0.748SS**  177.1151.6126.846.50000113.5
1894N32.5Very low31.1Very low163 Ų163143.4 Ų143.487%0.87275%0.751SS**  trans67.6145.9163-49.7-29.4000118.2
1895G29.3Very low30.3Very low77 Ų77142.7 Ų142.779%0.79476%0.761SS**  trans160.7-70.5168.500000116.9
1896A28.9Very low29.6Very low100 Ų100144.3 Ų144.383%0.82677%0.77SS**  trans60.1113.8178.200000119.5
1897A27.7Very low29.2Very low103 Ų103140.6 Ų140.685%0.85177%0.769SS**  trans70.3145.3150.600000118.2
1898S26.3Very low28.9Very low112 Ų112136.7 Ų136.778%0.78375%0.754SS**  cis-156.6-176.11.4-158.80000111.9
1899I26.3Very low28.7Very low141 Ų141134 Ų13472%0.72374%0.74SS**  trans104.6122.1160.8-58.9167.6000117.5
1900N26.4Very low28.7Very low115 Ų115132.6 Ų132.662%0.61573%0.733SS**  trans75.194.7156.8-70.8-18.8000120.6E497E497-N1900 WeakPolarHBondContact OE2-CA 3.36Å; E497-N1900 PolarHBondContact OE2-N 3.12Å
1901N25.9Very low28.4Very low24 Ų24129.5 Ų129.513%0.12872%0.719CS.*  7097.2119.8-69.4-58.8000121.3L496 E497L496-N1901 VanDerWaalsContact C-ND2 3.31Å; L496-N1901 WeakPolarHBondContact CA-OD1 3.42Å; L496-N1901 HydrophobicContact CB-CB 4.17Å; L496-N1901 VanDerWaalsContact CB-CG 3.46Å; L496-N1901 WeakPolarHBondContact CB-OD1 3.41Å; L496-N1901 VanDerWaalsContact CD2-OD1 3.26Å; L496-N1901 WeakPolarHBondContact CD2-OD1 3.5Å; L496-N1901 PolarHBondContact O-ND2 3.2Å; E497-N1901 WeakPolarHBondContact CA-OD1 3.46Å; E497-N1901 WeakPolarHBondContact CB-OD1 3.44Å; E497-N1901 WeakPolarHBondContact CG-OD1 3.31Å; E497-N1901 PolarHBondContact N-ND2 2.9Å; E497-N1901 PolarHBondContact N-OD1 2.7Å; E497-N1901 PolarHBondContact OE2-N 2.91Å; E497-N1901 PolarHBondContact OE2-OD1 2.68Å
1902R26.2Very low28.3Very low201 Ų201133.8 Ų133.876%0.75872%0.718SS**  trans-160.8162141.7-132.5169.8-176.5-171.4-0.4115.7
1903F29.2Very low28.3Very low156 Ų156126.3 Ų126.368%0.68470%0.703SS**  trans81.8129.7165.1-71.1-71.6000120.6
1904K25.1Very low28.1Very low178 Ų178127.2 Ų127.277%0.77471%0.71SS**  trans-75.9142.1157.3-52.6165.9-176.9170.40108.2
1905S30.1Very low27.9Very low119 Ų119123.3 Ų123.383%0.83271%0.708SS**  trans-147.8137.1146.756.40000108.8
1906N25.6Very low27.9Very low172 Ų172124.7 Ų124.792%0.9271%0.706SS**  trans-102.9117.7-179.7-86.6-32.1000109.6
1907A30.6Very low27.8Very low96 Ų96126.8 Ų126.879%0.79370%0.702SS**  trans-154.5102.5163.700000112.1
1908L28.3Very low27.9Very low101 Ų101132.5 Ų132.553%0.52970%0.702SS.*  trans-16.4138.6169.9-60.970.7000116.7N480N480-L1908 WeakPolarHBondContact ND2-CD2 3.21Å
1909K29.2Very low27.8Very low114 Ų114136.3 Ų136.350%0.49670%0.704SS.*  -175.6150.585.9-104.7111.5152.5-71.20114.9P479P479-K1909 HydrophobicContact CG-CG 4.14Å
1910Q30.9Very low27.9Very low145 Ų145138.2 Ų138.268%0.67870%0.702SS**  trans59.3110.6153.5-63.8171-85.700118.1P479P479-Q1910 HydrophobicContact CG-CG 4.25Å
1911E23.7Very low28Very low113 Ų113140.5 Ų140.553%0.52871%0.709SS.*  72.410461.1-81.2-80-161.800116.1S482S482-E1911 VanDerWaalsContact CB-OE1 3.23Å; S482-E1911 WeakPolarHBondContact CB-OE1 3.39Å; S482-E1911 PolarHBondContact N-OE1 2.89Å; S482-E1911 PolarHBondContact OG-OE1 3.06Å
1912R32.2Very low27.8Very low237 Ų237145.5 Ų145.589%0.89473%0.732SS**  trans-167.399.5136.6-107.7172.6-168.7-155.61.8115
1913S29.6Very low27.9Very low86 Ų86140.7 Ų140.760%0.60174%0.735SS**  55.199.8129.664.20000123.4
1914S26.8Very low27.9Very low119 Ų119138.2 Ų138.283%0.83274%0.737SS**  66.5128.3114.668.80000125.4
1915G27.7Very low28.1Very low80 Ų80135.6 Ų135.683%0.82572%0.723SS**  trans96.2150.7145.100000117.3
1916S30.1Very low28Very low107 Ų107135.4 Ų135.475%0.74872%0.717SS**  cis-162.2172.5-7.6-1630000112.1
1917L26.8Very low28.1Very low144 Ų144131.6 Ų131.675%0.75471%0.709SS**  trans-8.6151.1162.4-63.2166.5000119.2
1918R28.2Very low28Very low222 Ų222132.5 Ų132.584%0.83871%0.705SS**  cis-171.2167.537-135.9164.8-166.4-174.33.9113.5
1919K26Very low28Very low193 Ų193134 Ų13484%0.83971%0.712SS**  trans-16158.1152.5-91.4177178.4-179.20118.4
1920R27.1Very low27.9Very low180 Ų180133.1 Ų133.168%0.67973%0.726SS**  cis-165150.212.1-163.3-175.6175.7162.82.6109.5E1922R1920-E1922 WeakPolarHBondContact CD-OE2 3.47Å; R1920-E1922 IonicContact CZ-OE1 2.72Å; R1920-E1922 IonicContact CZ-OE2 3.57Å; R1920-E1922 IonicContact NE-OE1 2.69Å; R1920-E1922 PolarHBondContact NE-OE1 3.16Å; R1920-E1922 IonicContact NE-OE2 2.69Å; R1920-E1922 PolarHBondContact NE-OE2 3.2Å; R1920-E1922 IonicContact NH2-OE1 3.69Å; R1920-E1922 PolarHBondContact NH2-OE1 3.49Å; R1920-E1922 IonicContact NH2-OE2 3.75Å; R1920-E1922 PolarHBondContact NH2-OE2 3.18Å
1921Q28.1Very low27.6Very low164 Ų164131.2 Ų131.277%0.76674%0.735SS**  162.7137.1103.8-78.3-169-8900106.7
1922E23.1Very low27.6Very low128 Ų128131 Ų13160%0.59875%0.752SS**  65.1120.464.1-65.8158.2147.100113.1R1920R1920-E1922 WeakPolarHBondContact CD-OE2 3.47Å; R1920-E1922 IonicContact CZ-OE1 2.72Å; R1920-E1922 IonicContact CZ-OE2 3.57Å; R1920-E1922 IonicContact NE-OE1 2.69Å; R1920-E1922 PolarHBondContact NE-OE1 3.16Å; R1920-E1922 IonicContact NE-OE2 2.69Å; R1920-E1922 PolarHBondContact NE-OE2 3.2Å; R1920-E1922 IonicContact NH2-OE1 3.69Å; R1920-E1922 PolarHBondContact NH2-OE1 3.49Å; R1920-E1922 IonicContact NH2-OE2 3.75Å; R1920-E1922 PolarHBondContact NH2-OE2 3.18Å
1923A26.5Very low27.2Very low101 Ų101124.4 Ų124.484%0.83575%0.748SS**  cis-133.4-157.9-4.600000109.1
1924S31Very low27Very low104 Ų104125.1 Ų125.173%0.72776%0.76SS**  cis-157.1167.28.8-161.80000106.8
1925R29Very low27.1Very low122 Ų122123.3 Ų123.346%0.4675%0.752SS.*  cis71.4123.230.5-84.8-159.8179.4133.111.4116R1476 E1479R1476-R1925 VanDerWaalsContact O-CZ 3.27Å; R1476-R1925 PolarHBondContact O-NH1 3.32Å; E1479-R1925 IonicContact OE1-NH2 2.73Å; E1479-R1925 PolarHBondContact OE1-NH2 3.17Å; E1479-R1925 IonicContact OE2-CZ 3.77Å; E1479-R1925 IonicContact OE2-NH1 2.61Å; E1479-R1925 IonicContact OE2-NH2 3.71Å; E1479-R1925 PolarHBondContact OE2-NH2 2.96Å
1926T27.2Very low27Very low116 Ų116127.3 Ų127.371%0.71275%0.753SS**  cis-160.7165.10.5-52.60000111.1
1927A27.9Very low26.9Very low92 Ų92125.6 Ų125.676%0.7675%0.745SS**  trans106.2156.8147.500000119
1928T29.3Very low27Very low114 Ų114127.3 Ų127.370%0.69975%0.749SS**  cis-179.9126.5-48-94.20000109.9
1929I27.3Very low27Very low134 Ų134122.7 Ų122.769%0.68774%0.74SS**  trans59.795.2157.2-61.9170.1000119.9
1930A26.4Very low27.2Very low94 Ų94117 Ų11778%0.77772%0.722SS**  73.7157.7114.500000125
1931A25.1Very low27.4Very low106 Ų106111 Ų11188%0.87671%0.705SS**  trans79.9103.8160.100000119.7
1932A24.2Very low27.4Very low107 Ų107106.2 Ų106.288%0.88469%0.694SS**  trans-134136.1151.500000108.6
1933A24.6Very low27.7Very low99 Ų99103.3 Ų103.382%0.81869%0.685SS**  trans-152.5144.8177.700000110.5
1934A25.5Very low27.9Very low102 Ų102104.9 Ų104.984%0.84368%0.684SS**  trans63.8157.3-171.600000114.5
1935A27.6Very low27.9Very low81 Ų81104.2 Ų104.267%0.66969%0.685SS**  cis-139.3142.69.600000110.7
1936I26.4Very low27.9Very low163 Ų163103 Ų10384%0.83670%0.701SS**  65.4127.592.6-60.4175.1000111.8
1937A26.6Very low28Very low71 Ų71102.4 Ų102.459%0.58771%0.708SS**  cis-143.9-171.48.400000109.3I1939A1937-I1939 HydrophobicContact CB-CD1 4.05Å
1938Q29.6Very low28Very low181 Ų181102.9 Ų102.985%0.84671%0.712SS**  cis-143.5141.826.5-70.6178-1.400111.2
1939I29.1Very low28.2Very low125 Ų125104 Ų10464%0.64172%0.719SS**  81.8125.450.1-74.3176000110.6A1937A1937-I1939 HydrophobicContact CB-CD1 4.05Å
1940T30.5Very low28.7Very low74 Ų74102.9 Ų102.945%0.45472%0.72SS.*  cis-154.4-170.31110.20000110.9A2006T1940-A2006 CarbonylContact C-O 3.3Å; T1940-A2006 VanDerWaalsContact CA-O 3.3Å; T1940-A2006 WeakPolarHBondContact CA-O 3.48Å; T1940-A2006 WeakPolarHBondContact CB-O 3.49Å; T1940-A2006 PolarHBondContact N-O 3.22Å; T1940-A2006 CarbonylContact O-C 3.6Å; T1940-A2006 PolarHBondContact OG1-O 2.97Å
1941P30.1Very low29.4Very low52 Ų52104 Ų10434%0.33872%0.72SS.*  cis103112.1-11-0.6-23.8000120.2V2003 P2004 A2006P1941-V2003 HydrophobicContact CB-CB 3.77Å; P1941-V2003 HydrophobicContact CB-CG1 3.43Å; P1941-V2003 VanDerWaalsContact CB-CG1 3.43Å; P1941-V2003 HydrophobicContact CB-CG2 4.34Å; P1941-P2004 HydrophobicContact CB-CB 4.46Å; P1941-P2004 HydrophobicContact CG-CB 4.08Å; P1941-A2006 VanDerWaalsContact C-N 3.25Å; P1941-A2006 WeakPolarHBondContact O-CB 3.01Å
1942A27.7Very low29.7Very low64 Ų64104 Ų10453%0.52972%0.72SS.*  trans168.2-2.4168.800000122.8V2003 A2005A1942-V2003 HydrophobicContact CB-CG1 3.5Å; A1942-A2005 VanDerWaalsContact N-C 3.26Å
1943T30.3Very low30.1Very low67 Ų67103.9 Ų103.941%0.41172%0.719SS.*  trans69176.3167.5-39.20000112.5V2003 P2004T1943-V2003 VanDerWaalsContact CG2-O 3.31Å; T1943-V2003 WeakPolarHBondContact CG2-O 3.3Å; T1943-V2003 WeakPolarHBondContact OG1-CA 3.45Å; T1943-V2003 WeakPolarHBondContact OG1-CG1 3.38Å; T1943-V2003 PolarHBondContact OG1-O 3.41Å; T1943-P2004 WeakPolarHBondContact CA-O 3.28Å; T1943-P2004 PolarHBondContact N-O 3.47Å
1944V30.3Very low30.4Very low134 Ų134105.1 Ų105.181%0.81272%0.721SS**  cis-149.2177.716.3-142.40000106.9
1945A30.3Very low30.8Very low90 Ų90104.3 Ų104.374%0.74471%0.714SS**  cis-152.8-1485.800000107.9
1946A29.8Very low31Very low97 Ų97106.7 Ų106.780%0.80271%0.71SS**  cis-161.4-163.8-1.700000109
1947A28.9Very low31.3Very low103 Ų103102.7 Ų102.785%0.85170%0.701SS**  -157139.7-92.500000112.6
1948A27.9Very low31.4Very low103 Ų103108.3 Ų108.385%0.85171%0.713SS**  trans-152.2165165.300000111
1949T32.9Very low31.3Very low137 Ų137105.9 Ų105.984%0.8471%0.705SS**  trans-146.5-179.3-155.916.10000112.2
1950P38.4Very low31.3Very low111 Ų111106.5 Ų106.572%0.72171%0.709SS**  cis-136-151.7-10.535.1-11.5000113
1951P41.2Very low31.1Very low118 Ų118109.2 Ų109.277%0.76672%0.721SS**  cis-129.9175.9-41.424.7-2.5000117.4
1952A31.3Very low30.9Very low106 Ų106113.2 Ų113.288%0.87674%0.74SS**  trans87.7166.2167.700000117.2
1953A32.5Very low31Very low104 Ų104115.7 Ų115.786%0.8675%0.748SS**  cis-134.7-138.1600000115
1954S32.5Very low30.8Very low125 Ų125117.3 Ų117.387%0.87476%0.762SS**  trans-154-144.6-164.1-164.40000116.9
1955A33.2Very low30.7Very low84 Ų84116 Ų11669%0.69476%0.758SS**  trans90.2153175.200000120.3
1956K32.4Very low30.6Very low132 Ų132121.2 Ų121.257%0.57477%0.765SS**  trans-166175.4-169.5-93.7120.9178.7-103.10114.7A1992 A1993 A1994K1956-A1992 WeakPolarHBondContact CD-O 3.49Å; K1956-A1992 PolarHBondContact NZ-O 2.88Å; K1956-A1993 HydrophobicContact CB-CB 3.92Å; K1956-A1993 WeakPolarHBondContact CE-O 3.47Å; K1956-A1993 HydrophobicContact CG-CB 3.84Å; K1956-A1993 PolarHBondContact NZ-O 3.38Å; K1956-A1994 HydrophobicContact CG-CB 3.88Å
1957A32.4Very low30.6Very low79 Ų79120.6 Ų120.665%0.65375%0.754SS**  trans-138166-169.700000116.7
1958F28.9Very low30.6Very low189 Ų189120.8 Ų120.883%0.82975%0.749SS**  trans-155.3-151.3166.8-121.6-78.4000115.2A1993F1958-A1993 HydrophobicContact CD2-CB 4.37Å; F1958-A1993 HydrophobicContact CE2-CB 4.49Å
1959N27.8Very low30.7Very low129 Ų129121.5 Ų121.569%0.6974%0.744SS**  trans-134.2152.9-149.1-172.422.2000116.7
1960L27.7Very low30.5Very low139 Ų139121.5 Ų121.573%0.72874%0.739SS**  trans63.9117.2160-98.2164.9000122
1961N27.3Very low30.2Very low131 Ų131124.8 Ų124.870%0.70174%0.741SS**  trans57.1119.1154.4-93.859.6000123.1
1962D25.7Very low29.7Very low136 Ų136129.8 Ų129.873%0.72775%0.745SS**  114.5147117.5-109-40.6000123
1963V28.5Very low29.8Very low116 Ų116131.8 Ų131.870%0.70374%0.736SS**  trans72.893.1155.4178.90000121.2
1964S26.7Very low29.4Very low101 Ų101134.5 Ų134.571%0.70673%0.731SS**  32.1154127.478.50000124.2
1965S28Very low29.4Very low105 Ų105133.6 Ų133.673%0.73473%0.731SS**  165.4153.198.353.70000116.5
1966F28.2Very low29.2Very low201 Ų201135 Ų13588%0.88273%0.731SS**  trans-136.9106.4153-95.7-89.8000106.2
1967S29.6Very low28.9Very low83 Ų83133.7 Ų133.758%0.5874%0.738SS**  84.693.791.974.90000113.5
1968S28.9Very low28.8Very low107 Ų107134.6 Ų134.675%0.74874%0.74SS**  84.713788.872.80000113.7
1969T30.3Very low28.7Very low119 Ų119130 Ų13073%0.7373%0.731SS**  -162.1-175.855.848.80000112.9
1970N29.3Very low28.8Very low137 Ų137129 Ų12973%0.73373%0.726SS**  trans78117.1172.2-80.3-63.8000116.6
1971K32.6Very low28.8Very low180 Ų180130.8 Ų130.878%0.78374%0.736SS**SBendcis-139.9141.54.1-85.4177.7-179.4168.80113.7
1972R30.7Very low28.9Very low223 Ų223134 Ų13484%0.84274%0.739SS**  trans55.5103.7157.3-80173.9172.9-178.6-3117.2
1973H32.8Very low29.1Very low148 Ų148132.5 Ų132.569%0.68574%0.739SS**  70.4102.782-74.7-75.2000111
1974Q24.6Very low29.1Very low160 Ų160132.4 Ų132.475%0.74874%0.743SS**  72.69674.6-72.1175.9-12.500113
1975A32.6Very low29.3Very low106 Ų106132.7 Ų132.788%0.87675%0.745SS**  trans-148.363.3155.600000108.3
1976T28.7Very low29.4Very low113 Ų113134.2 Ų134.269%0.69375%0.745SS**  trans-40.9139.5163.444.20000115.7
1977S26.6Very low29.5Very low105 Ų105132.9 Ų132.973%0.73474%0.742SS**  trans84.7157.1135.381.20000121.7
1978S29.2Very low29.5Very low98 Ų98133.7 Ų133.769%0.68575%0.753SS**  trans9169148.9-520000119.7
1979S27.4Very low29.3Very low93 Ų93133.7 Ų133.765%0.6576%0.76SS**  54137.1116.2660000121.5
1980N30Very low29.2Very low107 Ų107133.2 Ų133.257%0.57277%0.768SS**  -177.8109.796.9-99.9-66.6000115.6R1982N1980-R1982 HydrophobicContact CB-CB 4.12Å; N1980-R1982 HydrophobicContact CB-CG 4.16Å
1981N26.8Very low29.1Very low177 Ų177131.5 Ų131.595%0.94777%0.773SS**  -114.690.7129.2-82.7-13.4000103.7
1982R29.7Very low28.9Very low199 Ų199125.3 Ų125.375%0.75176%0.755SS**  cis76.4123.748.2-130.8178.6-153.8-168.16.9113N1980N1980-R1982 HydrophobicContact CB-CB 4.12Å; N1980-R1982 HydrophobicContact CB-CG 4.16Å
1983S30Very low28.8Very low104 Ų104116.8 Ų116.873%0.72773%0.732SS**  trans63.4114.3164.5390000120.8
1984S28.5Very low28.7Very low114 Ų114112.3 Ų112.380%0.79772%0.721SS**  trans43.6136.5140.356.40000121.1
1985S29.9Very low29Very low108 Ų108109.6 Ų109.676%0.75572%0.716SS**  cis-178.1164.7-5.959.30000107.5
1986N31.3Very low28.7Very low137 Ų137110.2 Ų110.273%0.73370%0.699SS**  cis-154.9-163.310-147.7-10.9000111.9
1987Q29.3Very low28.5Very low173 Ų173108 Ų10881%0.80869%0.692SS**  trans-26.2146.9165.5-68.9172.214.900118.6
1988A29.7Very low28.4Very low99 Ų99107.5 Ų107.582%0.81869%0.694SS**  cis-165.8152.8-11.300000111.5
1989A25.1Very low28.1Very low107 Ų107106.9 Ų106.988%0.88469%0.694SS**  trans-151.3141.6167.300000111
1990A28.7Very low28.2Very low109 Ų109110 Ų11090%0.90170%0.702SS**  trans-156.8149.8175.300000111.9
1991A27.6Very low28.1Very low101 Ų101108.9 Ų108.984%0.83571%0.708SS**  trans-106.1-178.9177.600000110.7
1992A27.4Very low28.1Very low51 Ų51105.7 Ų105.742%0.42170%0.695SS.*  cis-161.3177.815.200000114.4K1956K1956-A1992 WeakPolarHBondContact CD-O 3.49Å; K1956-A1992 PolarHBondContact NZ-O 2.88Å
1993A28.1Very low28.1Very low43 Ų4399.7 Ų99.736%0.35568%0.68SS.*  trans75.9165.6135.600000124.1K1956 F1958K1956-A1993 HydrophobicContact CB-CB 3.92Å; K1956-A1993 WeakPolarHBondContact CE-O 3.47Å; K1956-A1993 HydrophobicContact CG-CB 3.84Å; K1956-A1993 PolarHBondContact NZ-O 3.38Å; F1958-A1993 HydrophobicContact CD2-CB 4.37Å; F1958-A1993 HydrophobicContact CE2-CB 4.49Å
1994A31.4Very low28.4Very low54 Ų5498.9 Ų98.945%0.44667%0.672SS.*  trans9096.6166.400000121.4K1956K1956-A1994 HydrophobicContact CG-CB 3.88Å
1995T30.9Very low28.3Very low104 Ų10496.3 Ų96.364%0.63866%0.658SS**  44.2149.1123.3-46.10000123.3
1996K26.2Very low28.4Very low119 Ų11993 Ų9352%0.51764%0.637SS.*  trans-10.6130.9163.3-74.7-179.5179.5-178.70115.4L2 H3 N5L2-K1996 CarbonylContact C-O 3.6Å; H3-K1996 PolarHBondContact N-O 2.91Å; H3-K1996 VanDerWaalsContact O-CB 3.23Å; H3-K1996 WeakPolarHBondContact O-CB 3.27Å; N5-K1996 PolarHBondContact OD1-NZ 2.85Å
1997A24.6Very low28.6Very low67 Ų6790.5 Ų90.555%0.55463%0.629SS**  68.9141.976.900000113.4H3H3-A1997 PolarHBondContact N-O 3.31Å
1998A24.4Very low28.8Very low93 Ų9388.4 Ų88.477%0.76962%0.623SS**  cis-147.2-178.515.500000113.1
1999A24Very low28.8Very low85 Ų8590.4 Ų90.470%0.70262%0.616SS**  trans81.7137.115300000119.9
2000I28.4Very low29Very low158 Ų15891.2 Ų91.281%0.8160%0.604SS**  trans75.191.6143.8-65.7162.9000117.7
2001A27.6Very low28.9Very low84 Ų8493.2 Ų93.269%0.69460%0.599SS**  75.2161.3110.700000121
2002T27.9Very low28.9Very low111 Ų11194 Ų9468%0.68160%0.599SS**  cis-166.6117.2-28.2-89.20000108.9P2004T2002-P2004 WeakPolarHBondContact O-CD 3.44Å
2003V29.6Very low28.9Very low72 Ų7296.9 Ų96.944%0.43661%0.614SS.*  trans34.5-109.8160.7-1500000116.4P1941 A1942 T1943P1941-V2003 HydrophobicContact CB-CB 3.77Å; P1941-V2003 HydrophobicContact CB-CG1 3.43Å; P1941-V2003 VanDerWaalsContact CB-CG1 3.43Å; P1941-V2003 HydrophobicContact CB-CG2 4.34Å; A1942-V2003 HydrophobicContact CB-CG1 3.5Å; T1943-V2003 VanDerWaalsContact CG2-O 3.31Å; T1943-V2003 WeakPolarHBondContact CG2-O 3.3Å; T1943-V2003 WeakPolarHBondContact OG1-CA 3.45Å; T1943-V2003 WeakPolarHBondContact OG1-CG1 3.38Å; T1943-V2003 PolarHBondContact OG1-O 3.41Å
2004P35.9Very low29Very low87 Ų87105.3 Ų105.357%0.56564%0.637SS**  cis-98.9160.1-3721.40000114.2P1941 T1943 T2002P1941-P2004 HydrophobicContact CB-CB 4.46Å; P1941-P2004 HydrophobicContact CG-CB 4.08Å; T1943-P2004 WeakPolarHBondContact CA-O 3.28Å; T1943-P2004 PolarHBondContact N-O 3.47Å; T2002-P2004 WeakPolarHBondContact O-CD 3.44Å
2005A27.2Very low28.9Very low60 Ų60110.3 Ų110.350%0.49665%0.649SS.*  trans14454.2174.500000121.7A1942A1942-A2005 VanDerWaalsContact N-C 3.26Å
2006A31.2Very low28.9Very low39 Ų39110.7 Ų110.732%0.32266%0.656SS.*  trans-156.876.815900000113.2T1940 P1941T1940-A2006 CarbonylContact C-O 3.3Å; T1940-A2006 VanDerWaalsContact CA-O 3.3Å; T1940-A2006 WeakPolarHBondContact CA-O 3.48Å; T1940-A2006 WeakPolarHBondContact CB-O 3.49Å; T1940-A2006 PolarHBondContact N-O 3.22Å; T1940-A2006 CarbonylContact O-C 3.6Å; T1940-A2006 PolarHBondContact OG1-O 2.97Å; P1941-A2006 VanDerWaalsContact C-N 3.25Å; P1941-A2006 WeakPolarHBondContact O-CB 3.01Å
2007P36.6Very low28.9Very low85 Ų85109.7 Ų109.755%0.55266%0.656SS**  trans-68173-173.5-19.235.4000114.4
2008N31.7Very low29.1Very low129 Ų129111.8 Ų111.869%0.6967%0.666SS**  cis-154.5160.930.4-93.9-37.4000111
2009Q31Very low29.2Very low141 Ų141113.2 Ų113.266%0.65966%0.657SS**  cis-169.4157.8-30.3-122.8-164.578.500109.4
2010L28.8Very low29.2Very low124 Ų124115.5 Ų115.565%0.64966%0.657SS**  trans28137155.1-54.1-176.3000121.3
2011L27.4Very low29Very low150 Ų150112.8 Ų112.879%0.78565%0.653SS**  58.5137.758.5-71.482.5000112.2
2012S26.5Very low29.5Very low118 Ų118113.8 Ų113.883%0.82565%0.652SS**  -160.616467.4-167.80000114
2013C28.7Very low29.4Very low111 Ų111118 Ų11875%0.7566%0.657SS**  trans-95.2159.1-176.3-46.40000112.3
2014R28.7Very low29.2Very low220 Ų220118.8 Ų118.883%0.8366%0.658SS**  trans-159.2121.5151.3-109.4-176.8-174.5-165.53.4112.3
2015K29.1Very low28.8Very low160 Ų160117 Ų11770%0.69665%0.65SS**  trans58.5149.4146.7-54.8-179.9178.1-175.80117.3
2016S31.8Very low29Very low112 Ų112119.6 Ų119.678%0.78366%0.661SS**  cis-147165.521.9-52.60000113.9
2017N26.5Very low29.1Very low98 Ų98123.3 Ų123.352%0.52468%0.681SS.*  trans-44167156.6-61.3-49.1000114.3S518S518-N2017 PolarHBondContact O-ND2 2.79Å
2018S28.7Very low28.7Very low110 Ų110126.1 Ų126.177%0.76969%0.685SS**  cis-145.5145.418.453.40000110.9
2019Q25.9Very low28.6Very low123 Ų123126 Ų12658%0.57569%0.689SS**  cis67.7117.542.5-71.4-143.57.900116.8
2020N25.2Very low28.5Very low133 Ų133124.9 Ų124.971%0.71169%0.687SS**  57.3150.7129.2-55.3-23.6000119.4
2021S24Very low28.3Very low102 Ų102125 Ų12571%0.71369%0.693SS**  cis-168.7-173.85.9-123.60000107.9
2022P37.6Very low28.3Very low105 Ų105121.8 Ų121.868%0.68268%0.68SS**  cis-120.2-129.6-19.225.21.1000108.8
2023Y25.1Very low28.5Very low199 Ų199121.1 Ų121.178%0.7867%0.673SS**  cis-160.1-164.4-5.6-141.7-3.5000114.2
2024L25.1Very low28.4Very low88 Ų88120.5 Ų120.546%0.46167%0.665SS.*  trans-0142.7162.5-69164.8000121.7P498P498-L2024 WeakPolarHBondContact O-CD1 3.33Å; P498-L2024 WeakPolarHBondContact O-CD2 3.48Å
2025A27.5Very low28.5Very low49 Ų49119 Ų11941%0.40566%0.66SS.*  cis-144178.41.800000114.2D499D499-A2025 VanDerWaalsContact OD1-CB 3.32Å; D499-A2025 WeakPolarHBondContact OD1-CB 3.46Å
2026T32.9Very low28.3Very low116 Ų116115.5 Ų115.571%0.71265%0.645SS**  trans-131170.7179640000110.1
2027P33.3Very low28.1Very low117 Ų117116.8 Ų116.876%0.7664%0.641SS**  -148.6127.3109.833.3-15.3000118
2028K27.8Very low28Very low143 Ų143115.9 Ų115.962%0.62265%0.648SS**  60.3101.8119.5-59.5-178-176.3-167.60121.4H495H495-K2028 PolarHBondContact O-NZ 3.33Å
2029T29.6Very low28Very low127 Ų127113.6 Ų113.678%0.77964%0.636SS**  39.1134.2118.259.10000121.5
2030L27.9Very low27.9Very low118 Ų118117.9 Ų117.962%0.61865%0.652SS**  trans-145.8164.1134.2-117.4154.6000111.7Q491Q491-L2030 HydrophobicContact CB-CD1 3.78Å; Q491-L2030 HydrophobicContact CG-CD1 4.39Å
2031T25.8Very low28.1Very low127 Ų127115 Ų11578%0.77965%0.647SS**  trans-109.8126.9-155.8-55.50000112.3
2032T26.5Very low28.3Very low81 Ų81114.7 Ų114.750%0.49765%0.651SS.*  trans-131.7130.2166.8-43.30000108.4E1511 T2034E1511-T2032 VanDerWaalsContact OE1-CG2 3.28Å; E1511-T2032 WeakPolarHBondContact OE1-CG2 3.41Å; T2032-T2034 WeakPolarHBondContact CG2-OG1 3.37Å; T2032-T2034 PolarHBondContact O-N 2.85Å
2033P29.8Very low27.9Very low105 Ų105114.9 Ų114.968%0.68265%0.65SS**  trans-80.855.2179.135-35.7000111.3R2035P2033-R2035 PolarHBondContact O-N 3.18Å
2034T27Very low28Very low97 Ų97111.4 Ų111.460%0.59565%0.649SS**  trans-71.472-175.4-45.90000111.6T2032 F2036T2032-T2034 WeakPolarHBondContact CG2-OG1 3.37Å; T2032-T2034 PolarHBondContact O-N 2.85Å; T2034-F2036 VanDerWaalsContact C-N 3.25Å; T2034-F2036 PolarHBondContact O-N 2.85Å; T2034-F2036 VanDerWaalsContact O-N 3.07Å
2035R30.7Very low28.3Very low189 Ų189113.2 Ų113.271%0.71366%0.664SS**  trans-87.356.5-177.3-155.3-176.5-169.3-162.41.3112.9P2033P2033-R2035 PolarHBondContact O-N 3.18Å
2036F25.1Very low28.4Very low86 Ų86114.8 Ų114.838%0.37768%0.677SS.*  trans-70.7141.6153.8-103.8-73.8000109.1Q1509 T2034Q1509-F2036 HydrophobicContact CB-CE2 3.98Å; Q1509-F2036 HydrophobicContact CB-CZ 4.34Å; Q1509-F2036 HydrophobicContact CG-CE2 3.99Å; Q1509-F2036 HydrophobicContact CG-CZ 3.85Å; Q1509-F2036 VanDerWaalsContact NE2-CZ 3.31Å; T2034-F2036 VanDerWaalsContact C-N 3.25Å; T2034-F2036 PolarHBondContact O-N 2.85Å; T2034-F2036 VanDerWaalsContact O-N 3.07Å
2037I27.8Very low28.4Very low139 Ų139115.1 Ų115.171%0.71368%0.679SS**  trans60.993.9166.7-48.9166.4000115.3A2039I2037-A2039 HydrophobicContact CG2-CB 4.37Å
2038A25.3Very low28.2Very low80 Ų80115 Ų11566%0.66168%0.678SS**  -121.179.4123.500000107.3K2040A2038-K2040 PolarHBondContact O-N 2.86Å; A2038-K2040 VanDerWaalsContact O-N 3.08Å
2039A27.7Very low28.4Very low62 Ų62114.5 Ų114.551%0.51269%0.687SS.*  trans-63.7110.6169.800000107.5I2037 A2041I2037-A2039 HydrophobicContact CG2-CB 4.37Å; A2039-A2041 PolarHBondContact O-N 3.27Å
2040K25.5Very low28.3Very low213 Ų213113 Ų11393%0.92669%0.687SS**  trans-78.359.7173.9-164.7-173177.5-171.60109.3A2038 A2042A2038-K2040 PolarHBondContact O-N 2.86Å; A2038-K2040 VanDerWaalsContact O-N 3.08Å; K2040-A2042 PolarHBondContact O-N 3.45Å
2041A28.4Very low28.5Very low73 Ų73113.3 Ų113.360%0.60370%0.697SS**  trans-57131.2167.100000108.1A2039 T2043A2039-A2041 PolarHBondContact O-N 3.27Å; A2041-T2043 VanDerWaalsContact C-N 3.26Å; A2041-T2043 PolarHBondContact O-N 3.49Å
2042A27.2Very low28.7Very low95 Ų95111.5 Ų111.579%0.78569%0.694SS**  trans-72.388.3168.900000107.8K2040 V2044K2040-A2042 PolarHBondContact O-N 3.45Å; A2042-V2044 VanDerWaalsContact C-N 3.34Å; A2042-V2044 PolarHBondContact O-N 2.83Å
2043T29.4Very low28.8Very low109 Ų109113.2 Ų113.267%0.66971%0.705SS**  trans-6597.1172.3-560000108.5A2041 T2045A2041-T2043 VanDerWaalsContact C-N 3.26Å; A2041-T2043 PolarHBondContact O-N 3.49Å; T2043-T2045 PolarHBondContact O-N 3.5Å
2044V28Very low28.6Very low126 Ų126113 Ų11376%0.76471%0.706SS**  trans-60.9114.1164.6173.50000107.4A2042 A2046A2042-V2044 VanDerWaalsContact C-N 3.34Å; A2042-V2044 PolarHBondContact O-N 2.83Å; V2044-A2046 VanDerWaalsContact C-N 3.3Å; V2044-A2046 PolarHBondContact O-N 3.42Å
2045T30.9Very low28.6Very low126 Ų126114 Ų11477%0.77371%0.712SS**  trans-75.379.7-176.8-46.30000111.1T2043T2043-T2045 PolarHBondContact O-N 3.5Å
2046A30.2Very low28.5Very low82 Ų82110 Ų11068%0.67871%0.709SS**  trans-95.998.3173.200000110.6V2044 P2048V2044-A2046 VanDerWaalsContact C-N 3.3Å; V2044-A2046 PolarHBondContact O-N 3.42Å; A2046-P2048 WeakPolarHBondContact O-CD 3.48Å
2047T32.5Very low28.6Very low122 Ų122111.9 Ų111.975%0.74873%0.728SS**  trans-72.4124.6-179.7-41.80000111.5
2048P29.6Very low28.6Very low116 Ų116109.5 Ų109.575%0.75372%0.723SS**  trans-101.1117.3-176.434.9-30000113.6A2046A2046-P2048 WeakPolarHBondContact O-CD 3.48Å
2049T32.3Very low28.7Very low131 Ų131111.4 Ų111.480%0.80473%0.727SS**  trans-144.491163.6-40.30000114.1
2050A26.7Very low28.7Very low95 Ų95113.7 Ų113.779%0.78574%0.735SS**  trans52.9151.2142.200000123
2051P31.9Very low28.9Very low126 Ų126111.5 Ų111.582%0.81873%0.731SS**  trans-119.3171.9-169.443-31.6000115.8
2052A29.6Very low29Very low88 Ų88111.5 Ų111.573%0.72774%0.739SS**  trans-149.799.6158.100000112.7
2053T29Very low29.1Very low117 Ų117111.8 Ų111.872%0.71874%0.741SS**  29.4109.3121.555.80000118.1
2054S25.5Very low29.1Very low102 Ų102118.5 Ų118.571%0.71375%0.754SS**  80.3154.980.584.10000113.4
2055T28.6Very low29.1Very low116 Ų116116.3 Ų116.371%0.71276%0.757SS**  cis-160.4-177.33.1-3.30000107
2056T27.9Very low29.1Very low107 Ų107115.7 Ų115.766%0.65676%0.758SS**  cis-167.316118.9-80000110.2
2057T26.3Very low29Very low125 Ų125117 Ų11777%0.76776%0.762SS**  trans66.3152.4150.950.20000120.1
2058S27.5Very low28.7Very low88 Ų88116.9 Ų116.962%0.61576%0.762SS**  cis-163.3143.46.8-129.80000115.8
2059T28Very low28.5Very low120 Ų120119.6 Ų119.674%0.73676%0.762SS**  trans58.4151.8142.551.10000121.4
2060T28.5Very low28Very low110 Ų110123 Ų12368%0.67576%0.76SS**  cis-164.7151.310.87.70000114.2
2061I29.4Very low28.1Very low167 Ų167122.2 Ų122.286%0.85675%0.745SS**  trans71.6131146.6-67.5158.3000121.6
2062G29.2Very low27.8Very low74 Ų74122.8 Ų122.876%0.76373%0.732SS**  trans165.7100.9158.900000115.2
2063A29.7Very low27.4Very low101 Ų101125.9 Ų125.984%0.83573%0.729SS**  trans-77.8165.8-17900000113.4
2064R30Very low27.2Very low249 Ų249125 Ų12594%0.9472%0.72SS**  cis-138.3164.624.2-69167.1159.5169.9-7.6109.3
2065G28.6Very low27.9Very low80 Ų80127 Ų12783%0.82572%0.721SS**  cis114.2140.327.800000108.9
2066S30.2Very low27.8Very low114 Ų114126.2 Ų126.280%0.79772%0.719SS**  cis-155.2124.212.2174.30000108.2
2067S27.3Very low27.8Very low109 Ų109126 Ų12676%0.76272%0.722SS**  82.1117.368.6-165.10000116.5
2068T26.2Very low27.9Very low120 Ų120125.3 Ų125.374%0.73672%0.718SS**  trans-71.9162.8166.9-25.50000112.7
2069K26Very low27.8Very low173 Ų173127.5 Ų127.575%0.75272%0.721SS**  trans-170.1157.7136.9-113.3167.8-174.6174.50118.1A1344 G1345A1344-K2069 CarbonylContact C-O 3.16Å; A1344-K2069 VanDerWaalsContact C-O 3.3Å; A1344-K2069 VanDerWaalsContact CB-O 3.26Å; A1344-K2069 WeakPolarHBondContact CB-O 3.39Å; G1345-K2069 WeakPolarHBondContact CA-O 3.26Å; G1345-K2069 PolarHBondContact N-O 3.16Å
2070R23.2Very low27.8Very low203 Ų203126.8 Ų126.877%0.76673%0.727SS**  trans-55.4177-163.2-83.3-174.3173.5-171.8-3.2119.2G1345 V1346G1345-R2070 CarbonylContact C-O 3.6Å; G1345-R2070 VanDerWaalsContact CA-O 3.23Å; G1345-R2070 WeakPolarHBondContact CA-O 3.49Å; G1345-R2070 VanDerWaalsContact N-C 3.32Å; G1345-R2070 PolarHBondContact N-O 2.89Å; V1346-R2070 VanDerWaalsContact CB-O 3.3Å; V1346-R2070 WeakPolarHBondContact CB-O 3.3Å; V1346-R2070 WeakPolarHBondContact CG2-O 3.34Å; V1346-R2070 PolarHBondContact N-O 2.87Å; V1346-R2070 VanDerWaalsContact N-O 3.16Å
2071V27.5Very low27.8Very low78 Ų78129 Ų12947%0.47373%0.729SS.*  trans-67.9149.1-169.5174.50000116.3A1343 V1346A1343-V2071 HydrophobicContact CB-CG2 3.78Å; V1346-V2071 WeakPolarHBondContact CG2-O 3.48Å
2072Y24.9Very low27.8Very low138 Ų138126.8 Ų126.854%0.54173%0.729SS.*  trans-124.3131.3148.5-109.1-60.6000111.4G1345 V1346G1345-Y2072 PolarHBondContact O-N 3.12Å; V1346-Y2072 HydrophobicContact CB-CD2 4.17Å; V1346-Y2072 HydrophobicContact CG1-CD2 4.18Å; V1346-Y2072 HydrophobicContact CG1-CE2 4.06Å; V1346-Y2072 HydrophobicContact CG2-CD2 3.47Å; V1346-Y2072 VanDerWaalsContact CG2-CD2 3.47Å; V1346-Y2072 HydrophobicContact CG2-CE2 3.99Å; V1346-Y2072 HydrophobicContact CG2-CG 4.18Å
2073F22.9Very low27.6Very low153 Ų153130.6 Ų130.667%0.67173%0.727SS**  trans-87.4147.3152.4-112-89.1000108.5
2074N24.7Very low27.5Very low99 Ų99131 Ų13153%0.52971%0.712SS.*  trans-164.5117151.5-117.4-77.8000110.7Q1376Q1376-N2074 PolarHBondContact OE1-ND2 2.8Å
2075L39.8Very low27.3Very low142 Ų142122 Ų12274%0.74368%0.68SS**  trans-121.1138.2162-91.9166.2000107
2076P26.5Very low27.3Very low100 Ų100127 Ų12765%0.64968%0.679SS**  trans-137.4123.5139.632.6-18000113.1
2077S28.2Very low27Very low104 Ų104127.2 Ų127.273%0.72767%0.668SS**  trans-69.7172.4140.152.30000109.1
2078T27.4Very low27Very low110 Ų110130.2 Ų130.268%0.67567%0.669SS**  cis-149.9-175.625.4440000109.5
2079I26.2Very low27.1Very low134 Ų134131.3 Ų131.369%0.68767%0.666SS**  170.4127.7115.6-86.9162.7000110.6
2080A28.5Very low27.1Very low104 Ų104129.1 Ų129.186%0.8666%0.662SS**  trans-163.791.1146.400000107.3
2081E27.1Very low27.1Very low156 Ų156125 Ų12573%0.72966%0.655SS**  trans-92.5156.1-178.4-60.5155.1152.800111
2082S29.4Very low27.2Very low121 Ų121131.4 Ų131.485%0.84667%0.673SS**  trans-157.6104141.162.90000110.3
2083E25.8Very low27.2Very low154 Ų154130.9 Ų130.972%0.7268%0.679SS**  trans-69.1163166.8-55.5167142.400110.4
2084Q27.9Very low27.4Very low111 Ų111132.1 Ų132.152%0.51969%0.687SS.*  175.2139.4107.8-164.211486.900109.6G1363G1363-Q2084 PolarHBondContact O-OE1 3.45Å
2085E24.8Very low27.3Very low59 Ų59135.5 Ų135.528%0.27670%0.7SS.*  trans-100.4-178.1-169.3-47.190.3152.400112.4A1366 A1367A1366-E2085 VanDerWaalsContact C-OE1 3.29Å; A1366-E2085 VanDerWaalsContact N-CD 3.34Å; A1366-E2085 PolarHBondContact N-OE2 2.98Å; A1366-E2085 WeakPolarHBondContact O-CB 3.41Å; A1366-E2085 VanDerWaalsContact O-CG 3.29Å; A1366-E2085 WeakPolarHBondContact O-CG 3.43Å; A1367-E2085 PolarHBondContact N-OE1 3.48Å
2086F27.8Very low26.8Very low184 Ų184136.6 Ų136.681%0.80770%0.703SS**  trans-154.7102.8156.3-125.5-76.8000109.5
2087E25.1Very low26.7Very low119 Ų119139.8 Ų139.856%0.55671%0.709SS**  trans-71.8159.1168.3-74.8-169.9136.600111.6A1366A1366-E2087 HydrophobicContact CB-CB 4.46Å; A1366-E2087 HydrophobicContact CB-CG 3.92Å
2088H27.3Very low26.5Very low172 Ų172142.8 Ų142.880%0.79671%0.712SS**  trans-151.8103.1147.5-146.1-57.3000110.4
2089E27.1Very low26.4Very low144 Ų144144.3 Ų144.367%0.67371%0.711SS**  trans-54.7161.2161.3-71.6-167.4117.500110.7
2090L25.9Very low26.5Very low127 Ų127145.7 Ų145.767%0.66572%0.72SS**  -166152.567.5-84.2164.9000113.1
2091D24.4Very low26.3Very low116 Ų116143.2 Ų143.262%0.6270%0.696SS**  trans55.5105148.4-52.4-20.2000119
2092Y29.1Very low26.2Very low213 Ų213143.6 Ų143.684%0.83570%0.7SS**  -160.5101.9100.2-109.1-66.4000113
2093D24.7Very low25.9Very low126 Ų126141.7 Ų141.767%0.67469%0.691SS**  trans47.5149.3140.8-62-31.5000124.5
2094E27.6Very low25.8Very low179 Ų179142.2 Ų142.284%0.83670%0.698SS**  trans74.3103.2157.7-73173.9-174.500119.9
2095E23.7Very low25.6Very low171 Ų171140.9 Ų140.980%0.79971%0.706SS**  31.7137.9118.3-59.2177.5-173.200118.4
2096M29.4Very low25.5Very low165 Ų165147.5 Ų147.581%0.81374%0.737SS**  -162.1166.851.3-166167.8-68.700113.3
2097E23.4Very low25.4Very low166 Ų166143.6 Ų143.678%0.77674%0.739SS**  trans-80165.3-179.1-59.2158122.600114.7
2098E24.8Very low25.3Very low167 Ų167147.6 Ų147.678%0.7875%0.754SS**  trans74.1153.6137.2-91-173.8163.800124.9
2099E24Very low25.3Very low142 Ų142144.3 Ų144.366%0.66475%0.748SS**  trans42.4126.4156.1-66.1-149.492.900122.1S2101E2099-S2101 VanDerWaalsContact OE1-CB 3.3Å; E2099-S2101 WeakPolarHBondContact OE1-CB 3.43Å; E2099-S2101 PolarHBondContact OE1-OG 2.94Å
2100N28.9Very low25.2Very low164 Ų164140.7 Ų140.788%0.87773%0.733SS**  trans-13359.3139.4-150.5-12.6000111.3
2101S23.7Very low25.4Very low52 Ų52140.2 Ų140.236%0.36474%0.736SS.*  trans-60.4151.3140.668.70000107.3E2099E2099-S2101 VanDerWaalsContact OE1-CB 3.3Å; E2099-S2101 WeakPolarHBondContact OE1-CB 3.43Å; E2099-S2101 PolarHBondContact OE1-OG 2.94Å
2102M25.2Very low25.3Very low164 Ų164140.8 Ų140.881%0.80873%0.734SS**  cis-171.9163.739.1-152-171.1-5900111.9
2103A23Very low25.2Very low80 Ų80138.2 Ų138.266%0.66173%0.734SS**  trans18.9110.9147.900000121.9
2104L24.2Very low25.1Very low166 Ų166137 Ų13787%0.86974%0.742SS**  56.2119.2107.3-154.478000121.2
2105A24Very low25Very low82 Ų82138 Ų13868%0.67874%0.738SS**  trans55.6119.2147.700000121.4
2106Q22.2Very low25Very low199 Ų199138.6 Ų138.693%0.9374%0.738SS**  -176.6116.6108.5-100.417546.100112.1
2107A26.9Very low24.7Very low101 Ų101135.7 Ų135.784%0.83573%0.731SS**  trans-151.5115.4164.900000111
2108K21.8Very low24.8Very low203 Ų203135 Ų13588%0.88373%0.727SS**  trans-79.8143.4161.6-63.9178.61801800108
2109P28.3Very low24.9Very low104 Ų104134.5 Ų134.568%0.67573%0.729SS**  -140.6163.7116.338.4-28.2000113.5
2110N23.6Very low25.1Very low67 Ų67132.7 Ų132.736%0.35873%0.727SS.*  trans-122.1166.6149.6-36.8-79.2000107.7S486 P487S486-N2110 WeakPolarHBondContact CA-O 3.45Å; S486-N2110 VanDerWaalsContact CB-O 3.27Å; S486-N2110 WeakPolarHBondContact CB-O 3.43Å; S486-N2110 PolarHBondContact O-ND2 3.04Å; S486-N2110 PolarHBondContact OG-N 3.24Å; S486-N2110 VanDerWaalsContact OG-N 3.08Å; S486-N2110 PolarHBondContact OG-O 3.21Å; P487-N2110 VanDerWaalsContact C-CB 3.46Å; P487-N2110 WeakPolarHBondContact O-CB 3.33Å
2111V30.1Very low24.9Very low118 Ų118131 Ų13172%0.71571%0.712SS**  trans-144.7140.6154.3179.50000107.9L2113V2111-L2113 PolarHBondContact O-N 2.91Å
2112H22.5Very low25Very low127 Ų127135 Ų13559%0.58873%0.73SS**  trans-71.7122.1175.5-100.2-19.7000110P487P487-H2112 HydrophobicContact CG-CB 3.46Å; P487-H2112 VanDerWaalsContact CG-CB 3.46Å; P487-H2112 WeakPolarHBondContact CG-CD2 3.48Å; P487-H2112 VanDerWaalsContact CG-N 3.25Å; P487-H2112 WeakPolarHBondContact CG-ND1 3.41Å
2113L28.3Very low25Very low160 Ų160129 Ų12984%0.83871%0.709SS**  trans-126.777.1160.2-96163.3000109.7V2111 R2115V2111-L2113 PolarHBondContact O-N 2.91Å; L2113-R2115 VanDerWaalsContact C-N 3.29Å; L2113-R2115 PolarHBondContact O-N 3.12Å
2114A22.7Very low25.2Very low100 Ų100128.7 Ų128.783%0.82670%0.699SS**  trans-75.578.3172.500000110.9
2115R25.1Very low25.3Very low201 Ų201129.1 Ų129.176%0.75869%0.69SS**  trans-147.2109.9162.5-95.9179.2-175-159.6-2.6110L2113 P2117L2113-R2115 VanDerWaalsContact C-N 3.29Å; L2113-R2115 PolarHBondContact O-N 3.12Å; R2115-P2117 WeakPolarHBondContact O-CD 3.38Å
2116K22.9Very low25.7Very low183 Ų183130.8 Ų130.880%0.79670%0.695SS**  trans-65.2140.5170.1-66.6-177.2175.6-173.50109.9
2117P24.6Very low26Very low103 Ų103123.6 Ų123.667%0.66966%0.662SS**  -112.6139.3128.132.8-30.7000110R2115 I2119R2115-P2117 WeakPolarHBondContact O-CD 3.38Å; P2117-I2119 PolarHBondContact O-N 3.01Å
2118H24Very low26.1Very low151 Ų151124.7 Ų124.770%0.69965%0.654SS**  trans-76.1106166.1-93.7-115000108.5
2119I26.3Very low26.3Very low158 Ų158121.5 Ų121.581%0.8164%0.644SS**  trans-87.2112.7164.3-61.2179.8000107.1P2117P2117-I2119 PolarHBondContact O-N 3.01Å
2120V28.2Very low26.4Very low104 Ų104122.1 Ų122.163%0.6365%0.648SS**  trans-86.1138.6-178.8178.50000109.9N2122V2120-N2122 PolarHBondContact O-N 3.31Å
2121F24.9Very low26.5Very low128 Ų128127.2 Ų127.256%0.56167%0.674SS**  trans-63.291174.9-113.2-94.8000111.6F1543 G2123F1543-F2121 HydrophobicContact CE2-CE1 4.27Å; F1543-F2121 HydrophobicContact CZ-CE1 4.07Å; F2121-G2123 VanDerWaalsContact C-N 3.34Å; F2121-G2123 PolarHBondContact O-N 3.12Å
2122N26.3Very low26.4Very low137 Ų137128.2 Ų128.273%0.73368%0.681SS**  trans-93.665169.6-88.2-1.1000111.2V2120V2120-N2122 PolarHBondContact O-N 3.31Å
2123G24.7Very low26.6Very low37 Ų37131.9 Ų131.938%0.38170%0.698SS.*  trans-125.428.6171.600000112F2121F2121-G2123 VanDerWaalsContact C-N 3.34Å; F2121-G2123 PolarHBondContact O-N 3.12Å
2124T27.3Very low26.6Very low74 Ų74127.7 Ų127.745%0.45469%0.694SS.*  trans-154.8120.8-176.5-47.50000109.7
2125Y26.9Very low26.9Very low174 Ų174131.7 Ų131.768%0.68270%0.695SS**PPolyproline II helixtrans-73.6139.1168.7-74-96000110I2127 L2154Y2125-I2127 PolarHBondContact O-N 3.04Å; Y2125-L2154 HydrophobicContact CE1-CD2 4.18Å; Y2125-L2154 VanDerWaalsContact OH-CG 3.28Å; Y2125-L2154 WeakPolarHBondContact OH-CG 3.29Å
2126P31.5Very low27Very low118 Ų118126.8 Ų126.877%0.76669%0.692SS**PPolyproline II helixtrans-74.1117.8169.630.4-31.7000109.7
2127I28.8Very low27.1Very low48 Ų48125.4 Ų125.425%0.24669%0.688CS.*PPolyproline II helixtrans-71.2146.2149-63.3169.9000106.8M1183 R1626 Y2125M1183-I2127 HydrophobicContact CG-CD1 4.33Å; M1183-I2127 HydrophobicContact CG-CG2 3.76Å; R1626-I2127 PolarHBondContact NH1-O 3.37Å; Y2125-I2127 PolarHBondContact O-N 3.04Å
2128D28.8Very low27.4Very low123 Ų123128.2 Ų128.266%0.65870%0.697SS**PPolyproline II helixtrans-64.3165.1-174-59.5-75.6000115.7R1626R1626-D2128 VanDerWaalsContact CD-O 3.32Å; R1626-D2128 WeakPolarHBondContact CD-O 3.26Å; R1626-D2128 PolarHBondContact NH1-O 2.89Å
2129M27.7Very low27.6Very low136 Ų136129.4 Ų129.467%0.6770%0.7SS**  trans-125.5149.2158.1-100.3-160-64.900109.4R1626R1626-M2129 HydrophobicContact CG-CG 4.39Å
2130P29.1Very low27.6Very low117 Ų117127 Ų12776%0.7670%0.697SS**  trans-76.3145.1-177.531.7-35.1000112.5
2131L25.1Very low27.5Very low174 Ų174130.1 Ų130.191%0.91171%0.71SS**  trans-81.7126.9172.2-79.9145.4000111.2
2132T29.8Very low27.5Very low140 Ų140130 Ų13086%0.85973%0.725SS**  trans-120.6153.7156.148.40000109.5
2133Q24.9Very low27.4Very low204 Ų204134 Ų13495%0.95373%0.731SS**  trans-118.6128.9-147.7-167.4174.714.100112.6
2134G28.5Very low27.4Very low72 Ų72136.9 Ų136.974%0.74274%0.738SS**  trans-159.1113-179.400000113.6
2135Q29.3Very low27.5Very low184 Ų184139.2 Ų139.286%0.8676%0.755SS**  trans-48.6129179.6-72.5157-11.600113.6
2136S26.6Very low27.4Very low98 Ų98139.2 Ų139.269%0.68576%0.761SS**  68.9133.474.490.60000114.1
2137Q27Very low27.1Very low153 Ų153137 Ų13772%0.71575%0.752SS**  cis-136.3159.810.3-52.5-179.242.400110.1
2138L30.4Very low27Very low163 Ų163141.6 Ų141.685%0.85378%0.777SS**  -161.3165.886.3-101.7167.5000112.7
2139K28.1Very low27.1Very low176 Ų176139.5 Ų139.577%0.76578%0.778SS**  trans-98.8165.2-174.2-48.4163.2-175165.40109.3
2140S25.3Very low27.2Very low106 Ų106138.9 Ų138.974%0.74178%0.777SS**  cis-157.1137.410.748.30000111.7
2141N26.1Very low27.1Very low170 Ų170143.3 Ų143.391%0.90978%0.778SS**  trans-153.1133.4143.9-109.8-25.8000108.7Y2143N2141-Y2143 PolarHBondContact O-N 3.32Å
2142S26.2Very low27.2Very low125 Ų125137 Ų13787%0.87476%0.755SS**  trans-84.2108.2-169.8-1720000111.1
2143Y24Very low27.1Very low221 Ų221136.4 Ų136.487%0.86775%0.747SS**  trans-90.4118.1170.2-146.5-88.2000109.3N2141N2141-Y2143 PolarHBondContact O-N 3.32Å
2144D24.5Very low27.4Very low98 Ų98131.9 Ų131.952%0.52473%0.729SS.*  trans-85.7119178.2-177.2-16.5000110E2146 A2147D2144-E2146 PolarHBondContact OD1-N 3.04Å; D2144-A2147 HydrophobicContact CB-CB 4.3Å
2145P28.7Very low27.4Very low124 Ų124134.6 Ų134.681%0.80572%0.722SS**SBendtrans-85.6-8-17935.3-35.7000114.6
2146E25Very low27.6Very low173 Ų173135.2 Ų135.281%0.80872%0.716SS**SBendtrans-97.2-16.2-179.8-63.4-156.3133.600113.2D2144 N2148D2144-E2146 PolarHBondContact OD1-N 3.04Å; E2146-N2148 VanDerWaalsContact C-N 3.29Å; E2146-N2148 PolarHBondContact O-N 2.99Å; E2146-N2148 VanDerWaalsContact O-N 3.09Å
2147A26Very low27.7Very low72 Ų72140 Ų14060%0.59572%0.721SS**THydrogen-bonded Turntrans-82.433-175.100000116D2144D2144-A2147 HydrophobicContact CB-CB 4.3Å
2148N26.1Very low27.8Very low144 Ų144142.8 Ų142.877%0.7773%0.725SS**THydrogen-bonded Turntrans-154.727.3170.8-131.4-8.8000115.4E2146E2146-N2148 VanDerWaalsContact C-N 3.29Å; E2146-N2148 PolarHBondContact O-N 2.99Å; E2146-N2148 VanDerWaalsContact O-N 3.09Å
2149A31.3Very low27.7Very low80 Ų80139.2 Ų139.266%0.66171%0.707SS**  trans-96.195.6175.400000111R2151A2149-R2151 PolarHBondContact O-N 3.09Å
2150D28.7Very low27.6Very low122 Ų122141 Ų14165%0.65271%0.71SS**  trans-69.3106173.5-156.8-14.4000109.8Q955 G2152Q955-D2150 PolarHBondContact NE2-OD1 2.9Å; D2150-G2152 PolarHBondContact O-N 3.22Å
2151R27.2Very low27.7Very low211 Ų211141.3 Ų141.380%0.79670%0.701SS**  trans-9125.1-159.1-153.8173.4-176.3153.12.9113A2149A2149-R2151 PolarHBondContact O-N 3.09Å
2152G27.3Very low27.7Very low41 Ų41139.5 Ų139.542%0.42369%0.691SS.*SBendtrans-87.9-60.7-179.400000114.2D2150D2150-G2152 PolarHBondContact O-N 3.22Å
2153D28.8Very low27.7Very low127 Ų127141.9 Ų141.968%0.67969%0.687SS**G310 helixtrans-83.6-19.6-161.8-72.5-43.6000115.5Q2155 R2156D2153-Q2155 PolarHBondContact O-N 3Å; D2153-R2156 PolarHBondContact O-N 3.26Å
2154L29.8Very low27.7Very low110 Ų110137.8 Ų137.858%0.57668%0.681SS**G310 helixtrans-63.8-14.8-179.6-106.472.7000114.5Y2125Y2125-L2154 HydrophobicContact CE1-CD2 4.18Å; Y2125-L2154 VanDerWaalsContact OH-CG 3.28Å; Y2125-L2154 WeakPolarHBondContact OH-CG 3.29Å
2155Q29.4Very low27.9Very low128 Ų128143.3 Ų143.360%0.59870%0.696SS**G310 helixtrans-99.91.1-176.7-67.1179.9-99.300114.1D2153D2153-Q2155 PolarHBondContact O-N 3Å
2156R32.2Very low27.9Very low198 Ų198143.3 Ų143.375%0.74769%0.693SS**THydrogen-bonded Turntrans-92-33174.1-68-170.8177.9-146.51.4114.1D2153D2153-R2156 PolarHBondContact O-N 3.26Å
2157Y29Very low28.1Very low199 Ų199141.9 Ų141.978%0.7869%0.69SS**G310 helixtrans-83.8-9.8-174.1-99.9-84.2000116.1
2158R30.5Very low28.1Very low211 Ų211145.4 Ų145.480%0.79670%0.699SS**G310 helixtrans-82.9-10.6-174.1-155.1169.7-174.3161.44.2115
2159N27Very low28.3Very low88 Ų88146.9 Ų146.947%0.47170%0.701SS.*G310 helixtrans-105.19.5-170.5-79.920.7000115.7N833N833-N2159 PolarHBondContact O-ND2 3.25Å
2160Y26.8Very low28.3Very low214 Ų214149.5 Ų149.584%0.83970%0.704SS**SBendtrans-120.17.7-177.1-88.3-73.2000115.4
2161M27.4Very low28.4Very low111 Ų111148.3 Ų148.355%0.54771%0.711SS.*SBendtrans-131.1-0.9-169-82.4-67.7-72.900116.2I1210I1210-M2161 HydrophobicContact CB-CE 4.28Å; I1210-M2161 HydrophobicContact CD1-CE 3.74Å; I1210-M2161 HydrophobicContact CG1-CE 3.71Å; I1210-M2161 HydrophobicContact CG2-CE 3.69Å
2162L26.4Very low28.6Very low132 Ų132146.9 Ų146.969%0.69171%0.713SS**SBendtrans-140.3102168.1-90.595.5000109.6
2163H24.9Very low28.8Very low175 Ų175148.6 Ų148.681%0.8173%0.731SS**  trans17493.8140.3-88.4-50.7000109.3
2164D24Very low28.8Very low136 Ų136151.5 Ų151.573%0.72774%0.74SS**  trans-170.4151.2135.8-92.5-20.9000108.1
2165Y28.6Very low28.8Very low213 Ų213154 Ų15484%0.83575%0.749SS**  trans61.7136.7-155.9-45.5-81.8000111.9
2166V30.1Very low28.9Very low125 Ų125155.9 Ų155.976%0.75876%0.758SS**  cis-131.2135.531.5174.70000111.4
2167I29Very low28.7Very low142 Ų142150.2 Ų150.273%0.72875%0.754SS**  trans8131141.2-60.6152.4000116.7
2168D25.2Very low28.8Very low147 Ų147149.7 Ų149.779%0.78676%0.758SS**  trans-70.1-167.6167.7-61.2-76.2000112.5
2169E31Very low28.9Very low175 Ų175148.3 Ų148.382%0.81876%0.761SS**  trans72.1129.8-170.8-51.6176.5-179.200114.5
2170D30.3Very low28.9Very low135 Ų135153.6 Ų153.672%0.72278%0.782SS**  cis-156.6164.7-15.1-116.6-35.1000112.2
2171A31.6Very low29.2Very low96 Ų96147.2 Ų147.279%0.79378%0.782SS**  trans-16187.416600000111.5
2172E30.2Very low29.3Very low181 Ų181150.3 Ų150.385%0.84680%0.795SS**  trans-66.7166.5178.6-60.6-176.3121.100113.9
2173G31.7Very low29.5Very low78 Ų78151.9 Ų151.980%0.80480%0.799SS**  trans-144102.5168.300000109.5
2174E30.2Very low29.9Very low187 Ų187151.2 Ų151.287%0.87480%0.801SS**  trans-64.1152.9-169.6-52.6152.5117.600113.8
2175E28.8Very low30.4Very low162 Ų162152.9 Ų152.976%0.75781%0.805SS**  -163140119.9-126.7-173.3-137.600113
2176Q31.1Very low30.8Very low169 Ų169154 Ų15479%0.7981%0.809SS**  trans69.5142163.2-54167.539.500117.8
2177A28.6Very low31.1Very low79 Ų79150.2 Ų150.265%0.65380%0.796SS**  cis-170.2167.8-20.700000108.5
2178E31.9Very low31.5Very low187 Ų187146.5 Ų146.587%0.87478%0.777SS**  trans67.5144.9168.5-60.8165.9-156.900116
2179E32.2Very low31.9Very low183 Ų183142 Ų14286%0.85577%0.766SS**  cis-154.7175.3-27-165.3161.8-142.200107.7
2180E27.4Very low32.1Very low198 Ų198139.7 Ų139.793%0.92576%0.759SS**  trans-70.9147.8-179.3-59.3173.514700112.3
2181G31.7Very low32.4Very low80 Ų80138.7 Ų138.783%0.82575%0.75SS**  trans-169.2125.1-18000000114.8
2182E30.7Very low32.5Very low177 Ų177138.3 Ų138.383%0.82774%0.735SS**  trans-92161.4-169-68161.4135.100114.8
2183E30.5Very low32.6Very low165 Ų165135.6 Ų135.677%0.77173%0.726SS**  trans73.8138.4141.2-77.8169.7-178.400124.4
2184D33.7Very low32.4Very low160 Ų160138.8 Ų138.886%0.85672%0.718SS**  trans85.9139.4141.7-74.110.8000125.9
2185E34.5Very low32.9Very low171 Ų171135.2 Ų135.280%0.79971%0.71SS**  trans-103.1143.3-167.5161.4-175.6-163.800111.7
2186Y36Very low32.9Very low236 Ų236136.3 Ų136.393%0.92571%0.709SS**  trans-159.8148.4145.4-90.5-64.8000109.3
2187G36.1Very low32.8Very low47 Ų47131.5 Ų131.549%0.48570%0.698SS.*  trans-157.3-151.6-168.200000118.8K770 S771K770-G2187 WeakPolarHBondContact CA-O 3.47Å; S771-G2187 PolarHBondContact N-O 2.94Å
2188D37.5Very low32.7Very low63 Ų63134 Ų13434%0.33770%0.701SS.*  trans67.6151.5174.5-167.96000116.4T769 K770 S771 D2190T769-D2188 WeakPolarHBondContact CA-OD2 3.47Å; K770-D2188 WeakPolarHBondContact CE-OD1 3.14Å; K770-D2188 VanDerWaalsContact CE-OD2 3.23Å; K770-D2188 WeakPolarHBondContact CE-OD2 3.28Å; K770-D2188 HydrophobicContact CG-CB 3.77Å; K770-D2188 WeakPolarHBondContact CG-OD2 3.43Å; K770-D2188 IonicContact NZ-OD1 3.62Å; S771-D2188 WeakPolarHBondContact CA-O 3.36Å; S771-D2188 WeakPolarHBondContact CB-O 3.33Å; S771-D2188 PolarHBondContact N-O 2.81Å; D2188-D2190 PolarHBondContact OD1-N 3.22Å
2189G35Very low32.5Very low54 Ų54132 Ų13256%0.55770%0.696SS**  trans174.224.4-177.300000116.4
2190D34.8Very low32.2Very low125 Ų125130.5 Ų130.567%0.66869%0.694SS**  trans-57.5147.6-176.3-82.4-42.6000115.5K770 D2188K770-D2190 PolarHBondContact NZ-O 2.95Å; D2188-D2190 PolarHBondContact OD1-N 3.22Å
2191E36.9Very low32.2Very low115 Ų115128.8 Ų128.854%0.53769%0.686SS.*  166.8131.8115.4-92.6168.5-148.100114.5K770 K778 R779K770-E2191 IonicContact NZ-OE1 2.62Å; K778-E2191 VanDerWaalsContact CE-O 3.28Å; K778-E2191 WeakPolarHBondContact CE-O 3.48Å; K778-E2191 PolarHBondContact NZ-O 3.44Å; R779-E2191 PolarHBondContact NH2-O 2.92Å
2192D33.5Very low32Very low88 Ų88129.9 Ų129.947%0.47168%0.68SS.*  trans58.6133.2147-61.1-17.7000122
2193L31.6Very low32Very low124 Ų124130 Ų13065%0.64968%0.679SS**  cis-140.8144.938.7-157.874.1000116.5N780N780-L2193 WeakPolarHBondContact ND2-CD2 3.29Å
2194F28.8Very low31.9Very low145 Ų145127.7 Ų127.764%0.63667%0.672SS**  trans-65.4-170.7158.2-85-82.4000112.2Y2196F2194-Y2196 AromaticContact CD1-CD2 3.64Å; F2194-Y2196 HydrophobicContact CD1-CD2 3.64Å; F2194-Y2196 AromaticContact CD1-CE2 3.54Å; F2194-Y2196 HydrophobicContact CD1-CE2 3.54Å; F2194-Y2196 HydrophobicContact CE1-CD2 4.16Å; F2194-Y2196 AromaticContact CE1-CE2 3.6Å; F2194-Y2196 HydrophobicContact CE1-CE2 3.6Å; F2194-Y2196 HydrophobicContact CG-CD2 4.49Å; F2194-Y2196 HydrophobicContact CG-CE2 4.48Å
2195P39.3Very low31.7Very low111 Ų111125.7 Ų125.772%0.72166%0.661SS**  cis-114.1164.24.38.619.3000114.8
2196Y29.6Very low31.4Very low186 Ų186121.9 Ų121.973%0.72967%0.667SS**  48.7139.281.8-66.2-86.7000114.1F2194F2194-Y2196 AromaticContact CD1-CD2 3.64Å; F2194-Y2196 HydrophobicContact CD1-CD2 3.64Å; F2194-Y2196 AromaticContact CD1-CE2 3.54Å; F2194-Y2196 HydrophobicContact CD1-CE2 3.54Å; F2194-Y2196 HydrophobicContact CE1-CD2 4.16Å; F2194-Y2196 AromaticContact CE1-CE2 3.6Å; F2194-Y2196 HydrophobicContact CE1-CE2 3.6Å; F2194-Y2196 HydrophobicContact CG-CD2 4.49Å; F2194-Y2196 HydrophobicContact CG-CE2 4.48Å
2197A27.7Very low30.9Very low68 Ų68115.5 Ų115.556%0.56265%0.649SS**  cis-158.4162.91300000111.5
2198D28.1Very low30.4Very low132 Ų132122 Ų12271%0.70666%0.66SS**  50143.4126.2-41.8-15.8000119.3
2199D27.6Very low30Very low144 Ų144128.4 Ų128.477%0.7768%0.681SS**  cis-144.8169.718.3-85.1-59.4000113
2200D25.8Very low29.8Very low151 Ų151129.2 Ų129.281%0.80768%0.675SS**  trans-10.4130.2160.1-58.9-31.3000121.9
2201E27.8Very low29.5Very low163 Ų163130 Ų13076%0.76268%0.675SS**  trans-129.1117.2134.2-77.2-170.1175.800106.5
2202S27.6Very low29.1Very low102 Ų102130.9 Ų130.971%0.71368%0.679SS**  51.783.975.678.60000113.9
2203F29.8Very low28.9Very low181 Ų181131 Ų13179%0.79468%0.679SS**  trans-138.7103.4170.1-117.8-90.4000112.6
2204D28.4Very low28.9Very low116 Ų116131.6 Ų131.662%0.6268%0.682SS**  trans-80.5-169.9153.7-160.6-11.2000108.5R1244R1244-D2204 IonicContact NH1-OD2 2.67Å
2205D30Very low28.9Very low118 Ų118131.9 Ų131.963%0.63169%0.69SS**  trans64.762.6172.9-66.9-29.2000116.2D2207D2205-D2207 PolarHBondContact O-N 2.97Å
2206G26.6Very low28.5Very low90 Ų90134.7 Ų134.793%0.92869%0.691SS**THydrogen-bonded Turntrans-67.844.6166.200000115.9
2207D26.8Very low28.4Very low103 Ų103131.6 Ų131.655%0.55168%0.679SS**THydrogen-bonded Turntrans-110.55179.7-145.7-6.7000113.8D2205 Y2209D2205-D2207 PolarHBondContact O-N 2.97Å; D2207-Y2209 VanDerWaalsContact C-N 3.27Å; D2207-Y2209 PolarHBondContact O-N 2.78Å
2208Y26.2Very low28.4Very low183 Ų183131.5 Ų131.572%0.71869%0.685SS**THydrogen-bonded Turntrans-77.3-1.4-178.6-119-87000115.7
2209Y27.7Very low28.4Very low197 Ų197132 Ų13277%0.77369%0.686SS**THydrogen-bonded Turntrans-94.4-17.7-176.7-102.7-88.6000115.4D2207D2207-Y2209 VanDerWaalsContact C-N 3.27Å; D2207-Y2209 PolarHBondContact O-N 2.78Å
2210T31.1Very low28.4Very low71 Ų71132.3 Ų132.344%0.43669%0.686SS.*THydrogen-bonded Turntrans-81.8-30.5-175.356.60000113.7L2214T2210-L2214 WeakPolarHBondContact O-CD1 3.46Å
2211H28Very low28.4Very low143 Ų143131 Ų13166%0.66269%0.686SS**THydrogen-bonded Turntrans-90.3-24.1-177.8-80.7-76.1000115L2213H2211-L2213 VanDerWaalsContact C-N 3.34Å
2212Q28.6Very low28.2Very low132 Ų132128.9 Ų128.962%0.61769%0.689SS**Hα-helixtrans-75.9-22.2174.8-65.5-167.410.500113.1K2216Q2212-K2216 PolarHBondContact O-N 2.77Å
2213L29.9Very low28.3Very low90 Ų90127.6 Ų127.647%0.47169%0.692SS.*Hα-helixtrans-73.3-31.7-176.4-108.2164.4000113.9H2211 Y2217H2211-L2213 VanDerWaalsContact C-N 3.34Å; L2213-Y2217 HydrophobicContact CD2-CD2 4.45Å; L2213-Y2217 HydrophobicContact CD2-CE2 3.87Å; L2213-Y2217 WeakPolarHBondContact O-CD2 3.48Å
2214L31.5Very low28.3Very low137 Ų137126.9 Ų126.972%0.71769%0.691SS**Hα-helixtrans-75.3-37.2178.1-79.180.9000112.2T2210 K2216 Y2217T2210-L2214 WeakPolarHBondContact O-CD1 3.46Å; L2214-K2216 PolarHBondContact O-N 3.07Å; L2214-Y2217 PolarHBondContact O-N 3.29Å
2215N28.9Very low28.2Very low152 Ų152128.3 Ų128.381%0.81369%0.691SS**Hα-helixtrans-74-12.4178.4-148.819000113Y2217N2215-Y2217 VanDerWaalsContact C-N 3.35Å
2216K31.5Very low28.1Very low169 Ų169132 Ų13274%0.73571%0.705SS**THydrogen-bonded Turntrans-82.2-7.8173.4-161.6170.8-178.4179.50113.7Q2212 L2214Q2212-K2216 PolarHBondContact O-N 2.77Å; L2214-K2216 PolarHBondContact O-N 3.07Å
2217Y27.7Very low27.9Very low122 Ų122137.7 Ų137.748%0.47870%0.699SS.*THydrogen-bonded Turntrans-123.28.2-177.5-71.2-59.9000115.6R831 L2213 L2214 N2215 I2219R831-Y2217 PolarHBondContact NH2-OH 3Å; L2213-Y2217 HydrophobicContact CD2-CD2 4.45Å; L2213-Y2217 HydrophobicContact CD2-CE2 3.87Å; L2213-Y2217 WeakPolarHBondContact O-CD2 3.48Å; L2214-Y2217 PolarHBondContact O-N 3.29Å; N2215-Y2217 VanDerWaalsContact C-N 3.35Å; Y2217-I2219 PolarHBondContact O-N 3.13Å
2218G27.8Very low28Very low66 Ų66139 Ų13968%0.6871%0.71SS**THydrogen-bonded Turntrans69.627.715400000118.1
2219I26.9Very low27.9Very low142 Ų142137.6 Ų137.673%0.72871%0.71SS**  trans-10671.6177.4-47.9-176.9000111.5Y2217Y2217-I2219 PolarHBondContact O-N 3.13Å
2220I27.3Very low27.8Very low150 Ų150139.2 Ų139.277%0.76972%0.715SS**SBendtrans176.3126.7140.7-92.3154.8000107.7
2221P25.6Very low27.4Very low125 Ų125142.1 Ų142.181%0.81273%0.732SS**  trans-83.7125.3-179.231.9-33000112
2222S24.8Very low27.7Very low117 Ų117140.9 Ų140.982%0.81874%0.737SS**  trans-106.490.9166.147.10000109.9
2223G30.1Very low27.4Very low75 Ų75138.9 Ų138.977%0.77374%0.743SS**PPolyproline II helixtrans-72.4135.6171.800000111.2
2224E28.7Very low27Very low167 Ų167140 Ų14078%0.7876%0.758SS**PPolyproline II helixtrans-69.9152.3-180-71.8-166.5119.400113.2N813N813-E2224 PolarHBondContact ND2-OE1 2.77Å
2225K26.3Very low26.7Very low145 Ų145140.1 Ų140.163%0.6377%0.765SS**PPolyproline II helixtrans-72136.6-179.3-49.6-175.4-169.7-1730110.5A1320 D1321A1320-K2225 PolarHBondContact O-NZ 3.35Å; A1320-K2225 VanDerWaalsContact O-NZ 3.17Å; D1321-K2225 IonicContact OD1-NZ 2.69Å; D1321-K2225 PolarHBondContact OD1-NZ 3.36Å; D1321-K2225 IonicContact OD2-NZ 3.47Å; D1321-K2225 PolarHBondContact OD2-NZ 2.85Å
2226Q27.9Very low26.4Very low195 Ų195141.2 Ų141.291%0.91177%0.765SS**  trans-114.8112.8161.3-148175.945.400110
2227R23.3Very low26.1Very low211 Ų211137.7 Ų137.780%0.79677%0.767SS**  trans-97.9113.6-173.7-176.7-174.3-167.4-11311.7110.2
2228V28.6Very low26Very low131 Ų131137 Ų13779%0.79479%0.787SS**  trans-132.3139.8164.5-177.60000109
2229E23.1Very low25.8Very low153 Ų153140.1 Ų140.172%0.71579%0.793SS**  trans-71.9144.1-174.7-48.5165120.200112.5
2230R26Very low25.7Very low231 Ų231138.8 Ų138.887%0.87280%0.796SS**  176.1130.1107.1-93.5161.8-170.4-156.10.8114.3
2231T22.9Very low25.5Very low131 Ų131136.5 Ų136.580%0.80480%0.799SS**  trans-88.7172.615942.20000110.4
2232P33.9Very low25.6Very low117 Ų117135.3 Ų135.376%0.7680%0.8SS**  cis-136-169.4-27.132.3-11.6000113.8
2233A22.2Very low25.9Very low90 Ų90138.4 Ų138.474%0.74480%0.802SS**  trans89.8112.7144.200000121.4
2234S22.8Very low26.1Very low113 Ų113139.8 Ų139.879%0.7980%0.797SS**  trans44.7127.1135.1-160.10000122.1
2235V25.4Very low26Very low141 Ų141137.5 Ų137.586%0.85579%0.787SS**  -160.7147.1125.1132.20000110.1
2236E22.2Very low26.2Very low175 Ų175135 Ų13582%0.81878%0.777SS**  trans-85.5168.4176.2-70.2-178.492.900113.9
2237A23.9Very low26.2Very low95 Ų95131.9 Ų131.979%0.78577%0.771SS**  trans64.497.5150.600000119.3
2238A27.5Very low26.6Very low108 Ų108128.4 Ų128.489%0.89376%0.758SS**  trans-130.6104.2142.800000109.3
2239T23.5Very low27.4Very low130 Ų130124.9 Ų124.980%0.79874%0.739SS**  trans-92.9140.8178.644.50000111.7
2240S23.3Very low28.1Very low114 Ų114121.2 Ų121.280%0.79772%0.723SS**  155.4153.8121.256.60000114.3
2241A24.8Very low28.9Very low102 Ų102117.9 Ų117.984%0.84371%0.714SS**  trans66.6133.8169.600000118.1
2242A26.7Very low30.2Very low100 Ų100116.1 Ų116.183%0.82670%0.697SS**  cis-156.3154.9-9.700000113.6
2243Q31.4Very low31Very low182 Ų182112.5 Ų112.585%0.8567%0.671SS**  trans-118.2-161.5161.2-120.5-162.637.600107
2244P34.6Very low32.3Very low104 Ų104110 Ų11068%0.67565%0.645SS**  cis-112.6-153.7-8.926.3-0.9000109.7
2245Q26.8Very low33.5Very low120 Ų120108.1 Ų108.156%0.56164%0.637SS**  cis-141.3-178.53.4-39.6163.4-4800107.7E909E909-Q2245 PolarHBondContact OE1-NE2 3.24Å
2246H29.7Very low34.6Very low91 Ų91103.8 Ų103.842%0.42161%0.608SS.*  cis-155.7169-8.4-156.1-119.1000108.9Y908Y908-H2246 AromaticContact CE2-NE2 3.64Å
2247V28.6Very low35.6Very low130 Ų130101.6 Ų101.679%0.78861%0.609SS**  trans-136.5138.7163.2179.80000108.7
2248W31.4Very low36.7Very low138 Ų138101.1 Ų101.152%0.52361%0.605SS.*  trans-82.6154.6-175.5-74.132.9000112.7E2252 L2253 N2256W2248-E2252 HydrophobicContact CD2-CB 4.49Å; W2248-E2252 HydrophobicContact CE3-CB 3.76Å; W2248-E2252 HydrophobicContact CZ3-CB 4.31Å; W2248-L2253 HydrophobicContact CB-CD1 4.24Å; W2248-L2253 HydrophobicContact CB-CG 4.44Å; W2248-L2253 HydrophobicContact CE3-CG 4.48Å; W2248-N2256 HydrophobicContact CZ3-CB 4.25Å
2249S44.7Very low37.5Very low57 Ų5797.8 Ų97.840%0.39957%0.572SS.*  trans-80.2151.5169.173.80000112K2251 E2252 L2253S2249-K2251 PolarHBondContact O-N 3.28Å; S2249-E2252 VanDerWaalsContact CB-OE2 3.26Å; S2249-E2252 WeakPolarHBondContact CB-OE2 3.36Å; S2249-E2252 PolarHBondContact N-OE2 3.12Å; S2249-E2252 PolarHBondContact O-N 3.42Å; S2249-E2252 VanDerWaalsContact OG-CD 3.29Å; S2249-E2252 WeakPolarHBondContact OG-CG 3.3Å; S2249-E2252 PolarHBondContact OG-OE2 3.45Å; S2249-L2253 PolarHBondContact O-N 3.41Å
2250M38.1Very low38.6Very low76 Ų7696 Ų9637%0.37456%0.563SS.*Hα-helixtrans-51.4-35178-165.368.3159.500112.6E2252 L2253 I2254 C2267 V2270M2250-E2252 PolarHBondContact O-N 2.96Å; M2250-L2253 PolarHBondContact O-N 3.39Å; M2250-I2254 HydrophobicContact CG-CD1 4.27Å; M2250-I2254 WeakPolarHBondContact O-CG1 3.47Å; M2250-I2254 PolarHBondContact O-N 3.24Å; M2250-C2267 HydrophobicContact CE-CB 3.82Å; M2250-V2270 HydrophobicContact CE-CB 4.25Å; M2250-V2270 HydrophobicContact CE-CG1 4.01Å
2251K42.7Very low39.4Very low161 Ų16197.9 Ų97.970%0.756%0.563SS**Hα-helixtrans-73.1-27-178.1-147.3152.4-168.7148.80113.2S2249 A2255S2249-K2251 PolarHBondContact O-N 3.28Å; K2251-A2255 WeakPolarHBondContact O-CB 3.48Å; K2251-A2255 PolarHBondContact O-N 2.92Å; K2251-A2255 VanDerWaalsContact O-N 3.13Å
2252E50Low40.7Very low94 Ų9498.7 Ų98.744%0.43955%0.554SS.*Hα-helixtrans-78.6-35.7173.7-67.9159132.100111.4W2248 S2249 M2250 I2254 A2255 N2256W2248-E2252 HydrophobicContact CD2-CB 4.49Å; W2248-E2252 HydrophobicContact CE3-CB 3.76Å; W2248-E2252 HydrophobicContact CZ3-CB 4.31Å; S2249-E2252 VanDerWaalsContact CB-OE2 3.26Å; S2249-E2252 WeakPolarHBondContact CB-OE2 3.36Å; S2249-E2252 PolarHBondContact N-OE2 3.12Å; S2249-E2252 PolarHBondContact O-N 3.42Å; S2249-E2252 VanDerWaalsContact OG-CD 3.29Å; S2249-E2252 WeakPolarHBondContact OG-CG 3.3Å; S2249-E2252 PolarHBondContact OG-OE2 3.45Å; M2250-E2252 PolarHBondContact O-N 2.96Å; E2252-I2254 VanDerWaalsContact C-N 3.32Å; E2252-I2254 PolarHBondContact O-N 3.42Å; E2252-A2255 PolarHBondContact O-N 2.83Å; E2252-N2256 PolarHBondContact O-N 3.31Å; E2252-N2256 VanDerWaalsContact O-N 3.16Å
2253L50.3Low41.7Very low41 Ų4198.9 Ų98.922%0.21553%0.534CS..Hα-helixtrans-63.5-35.3170.4-77141.7000112.2W2248 S2249 M2250 I2259 Y2263W2248-L2253 HydrophobicContact CB-CD1 4.24Å; W2248-L2253 HydrophobicContact CB-CG 4.44Å; W2248-L2253 HydrophobicContact CE3-CG 4.48Å; S2249-L2253 PolarHBondContact O-N 3.41Å; M2250-L2253 PolarHBondContact O-N 3.39Å; L2253-I2259 HydrophobicContact CB-CD1 4.44Å; L2253-I2259 HydrophobicContact CD2-CD1 3.92Å; L2253-I2259 VanDerWaalsContact O-CD1 3.3Å; L2253-I2259 WeakPolarHBondContact O-CD1 3.42Å; L2253-Y2263 HydrophobicContact CD2-CE1 4.08Å
2254I49.3Very low42.9Very low37 Ų3794.5 Ų94.519%0.1951%0.512CS..Hα-helixtrans-75.2-30.6174.4-66.5165.9000111.7M2250 E2252 K2264 C2267 E2271M2250-I2254 HydrophobicContact CG-CD1 4.27Å; M2250-I2254 WeakPolarHBondContact O-CG1 3.47Å; M2250-I2254 PolarHBondContact O-N 3.24Å; E2252-I2254 VanDerWaalsContact C-N 3.32Å; E2252-I2254 PolarHBondContact O-N 3.42Å; I2254-K2264 VanDerWaalsContact O-CE 3.27Å; I2254-K2264 WeakPolarHBondContact O-CE 3.47Å; I2254-K2264 PolarHBondContact O-NZ 2.86Å; I2254-C2267 HydrophobicContact CD1-CB 4.1Å; I2254-C2267 HydrophobicContact CG1-CB 3.85Å; I2254-E2271 HydrophobicContact CD1-CG 4.49Å; I2254-E2271 WeakPolarHBondContact CD1-OE2 3.5Å
2255A48.3Very low44.5Very low75 Ų7594.7 Ų94.762%0.6250%0.502SS*.Hα-helixtrans-78.2-24.5-17800000114.6K2251 E2252 P2257K2251-A2255 WeakPolarHBondContact O-CB 3.48Å; K2251-A2255 PolarHBondContact O-N 2.92Å; K2251-A2255 VanDerWaalsContact O-N 3.13Å; E2252-A2255 PolarHBondContact O-N 2.83Å; A2255-P2257 WeakPolarHBondContact O-CD 3.23Å
2256N49.3Very low46.1Very low49 Ų4993.3 Ų93.326%0.26250%0.497SS..  trans-78.2118.2-173.2-171.8-12.6000112.5W2248 E2252 A2258 I2259W2248-N2256 HydrophobicContact CZ3-CB 4.25Å; E2252-N2256 PolarHBondContact O-N 3.31Å; E2252-N2256 VanDerWaalsContact O-N 3.16Å; N2256-A2258 PolarHBondContact O-N 3.5Å; N2256-A2258 PolarHBondContact OD1-N 2.89Å; N2256-A2258 VanDerWaalsContact OD1-N 3.17Å; N2256-I2259 HydrophobicContact CB-CD1 4.1Å; N2256-I2259 PolarHBondContact O-N 3.2Å
2257P43.6Very low47.4Very low129 Ų12989.3 Ų89.384%0.83848%0.478SS*.THydrogen-bonded Turntrans-72.4-7.5-176.730.5-36.6000114.7A2255 I2259A2255-P2257 WeakPolarHBondContact O-CD 3.23Å; P2257-I2259 VanDerWaalsContact C-N 3.33Å
2258A46Very low49.3Very low85 Ų8585.3 Ų85.370%0.70246%0.456SS*.THydrogen-bonded Turntrans-82.5-4.6178.400000114.4N2256N2256-A2258 PolarHBondContact O-N 3.5Å; N2256-A2258 PolarHBondContact OD1-N 2.89Å; N2256-A2258 VanDerWaalsContact OD1-N 3.17Å
2259I45Very low51.2Low39 Ų3982.9 Ų82.920%0.245%0.451CS..SBendtrans-90.9130.8-175.1-72.9173000110.5L2253 N2256 P2257 Y2263L2253-I2259 HydrophobicContact CB-CD1 4.44Å; L2253-I2259 HydrophobicContact CD2-CD1 3.92Å; L2253-I2259 VanDerWaalsContact O-CD1 3.3Å; L2253-I2259 WeakPolarHBondContact O-CD1 3.42Å; N2256-I2259 HydrophobicContact CB-CD1 4.1Å; N2256-I2259 PolarHBondContact O-N 3.2Å; P2257-I2259 VanDerWaalsContact C-N 3.33Å; I2259-Y2263 HydrophobicContact CG2-CD1 3.62Å; I2259-Y2263 HydrophobicContact CG2-CG 3.99Å
2260P46Very low52.3Low93 Ų9383.1 Ų83.160%0.60445%0.45SS*.  trans-62.6140.3-175.624.7-34.4000112.1N2262 Y2263 K2264P2260-N2262 PolarHBondContact O-N 2.9Å; P2260-Y2263 WeakPolarHBondContact O-CB 3.41Å; P2260-Y2263 PolarHBondContact O-N 3.42Å; P2260-K2264 PolarHBondContact O-N 2.81Å
2261L41.1Very low53.8Low153 Ų15383.3 Ų83.380%0.80145%0.45SS*.Hα-helixtrans-48.8-35.1-172.9-71.7168.3000114.3Y2263 K2264 K2265L2261-Y2263 PolarHBondContact O-N 3.49Å; L2261-K2264 PolarHBondContact O-N 2.81Å; L2261-K2265 WeakPolarHBondContact O-CB 3.38Å; L2261-K2265 PolarHBondContact O-N 2.88Å
2262N50.3Low55.2Low119 Ų11981 Ų8164%0.63644%0.442SS*.Hα-helixtrans-67.4-33-179.8-154.21.7000112.8P2260 M2266P2260-N2262 PolarHBondContact O-N 2.9Å; N2262-M2266 WeakPolarHBondContact O-CB 3.25Å; N2262-M2266 PolarHBondContact O-N 2.92Å
2263Y48.7Very low55.8Low104 Ų10479.5 Ų79.541%0.40844%0.442SS..Hα-helixtrans-72.9-37.1173.8-169.5-82.7000111.2L2253 I2259 P2260 L2261 M2266 C2267L2253-Y2263 HydrophobicContact CD2-CE1 4.08Å; I2259-Y2263 HydrophobicContact CG2-CD1 3.62Å; I2259-Y2263 HydrophobicContact CG2-CG 3.99Å; P2260-Y2263 WeakPolarHBondContact O-CB 3.41Å; P2260-Y2263 PolarHBondContact O-N 3.42Å; L2261-Y2263 PolarHBondContact O-N 3.49Å; Y2263-M2266 WeakPolarHBondContact O-CB 3.31Å; Y2263-M2266 PolarHBondContact O-N 2.85Å; Y2263-C2267 WeakPolarHBondContact CE1-SG 3.26Å; Y2263-C2267 PolarHBondContact O-N 3Å; Y2263-C2267 PolarHBondContact O-SG 3.34Å
2264K57.4Low56.6Low89 Ų8982 Ų8239%0.38746%0.455SS..Hα-helixtrans-67.3-37.1174.1-170.7158.7175.11610111.9I2254 P2260 L2261 C2267 S2268I2254-K2264 VanDerWaalsContact O-CE 3.27Å; I2254-K2264 WeakPolarHBondContact O-CE 3.47Å; I2254-K2264 PolarHBondContact O-NZ 2.86Å; P2260-K2264 PolarHBondContact O-N 2.81Å; L2261-K2264 PolarHBondContact O-N 2.81Å; K2264-C2267 PolarHBondContact O-N 2.82Å; K2264-S2268 PolarHBondContact O-N 3.04Å; K2264-S2268 PolarHBondContact O-OG 3.23Å
2265K67.4Low57.6Low109 Ų10982.9 Ų82.947%0.47446%0.464SS..Hα-helixtrans-61.4-50.2169.4-175.2173-178.1-740111.2L2261 C2267 S2268 E2269L2261-K2265 WeakPolarHBondContact O-CB 3.38Å; L2261-K2265 PolarHBondContact O-N 2.88Å; K2265-C2267 VanDerWaalsContact C-N 3.33Å; K2265-C2267 PolarHBondContact O-N 2.98Å; K2265-S2268 WeakPolarHBondContact CA-OG 3.41Å; K2265-S2268 CarbonylContact O-C 3.45Å; K2265-S2268 PolarHBondContact O-N 3.45Å; K2265-S2268 PolarHBondContact O-OG 3.29Å; K2265-E2269 WeakPolarHBondContact CE-OE1 3.36Å; K2265-E2269 IonicContact NZ-OE1 3.19Å; K2265-E2269 PolarHBondContact NZ-OE1 2.89Å; K2265-E2269 IonicContact NZ-OE2 3.58Å; K2265-E2269 WeakPolarHBondContact O-CG 3.48Å; K2265-E2269 PolarHBondContact O-N 2.97Å
2266M60.2Low58.5Low91 Ų9186.7 Ų86.745%0.44846%0.462SS..Hα-helixtrans-56-44.1175-172.6-172.4-61.300112.2N2262 Y2263 S2268 E2269 V2270N2262-M2266 WeakPolarHBondContact O-CB 3.25Å; N2262-M2266 PolarHBondContact O-N 2.92Å; Y2263-M2266 WeakPolarHBondContact O-CB 3.31Å; Y2263-M2266 PolarHBondContact O-N 2.85Å; M2266-S2268 VanDerWaalsContact C-N 3.35Å; M2266-S2268 PolarHBondContact O-N 3.49Å; M2266-E2269 PolarHBondContact O-N 3.47Å; M2266-V2270 WeakPolarHBondContact O-CG2 3.32Å; M2266-V2270 PolarHBondContact O-N 3.19Å
2267C57.7Low59Low6 Ų689.9 Ų89.94%0.04147%0.474CS..Hα-helixtrans-60.1-43174.3-67.70000112.1M2250 I2254 Y2263 K2264 K2265 V2270 E2271M2250-C2267 HydrophobicContact CE-CB 3.82Å; I2254-C2267 HydrophobicContact CD1-CB 4.1Å; I2254-C2267 HydrophobicContact CG1-CB 3.85Å; Y2263-C2267 WeakPolarHBondContact CE1-SG 3.26Å; Y2263-C2267 PolarHBondContact O-N 3Å; Y2263-C2267 PolarHBondContact O-SG 3.34Å; K2264-C2267 PolarHBondContact O-N 2.82Å; K2265-C2267 VanDerWaalsContact C-N 3.33Å; K2265-C2267 PolarHBondContact O-N 2.98Å; C2267-V2270 PolarHBondContact O-N 2.84Å; C2267-E2271 PolarHBondContact O-N 2.9Å
2268S68.3Low60.1Low46 Ų4689 Ų8932%0.32246%0.459SS..Hα-helixtrans-69.9-29.3177.268.30000113.7K2264 K2265 M2266 Q2272K2264-S2268 PolarHBondContact O-N 3.04Å; K2264-S2268 PolarHBondContact O-OG 3.23Å; K2265-S2268 WeakPolarHBondContact CA-OG 3.41Å; K2265-S2268 CarbonylContact O-C 3.45Å; K2265-S2268 PolarHBondContact O-N 3.45Å; K2265-S2268 PolarHBondContact O-OG 3.29Å; M2266-S2268 VanDerWaalsContact C-N 3.35Å; M2266-S2268 PolarHBondContact O-N 3.49Å; S2268-Q2272 WeakPolarHBondContact O-CB 3.27Å; S2268-Q2272 VanDerWaalsContact O-CG 3.31Å; S2268-Q2272 WeakPolarHBondContact O-CG 3.29Å; S2268-Q2272 PolarHBondContact O-N 3.39Å
2269E71Confident61.1Low87 Ų8790.4 Ų90.441%0.40745%0.454SS..Hα-helixtrans-74-34.3173.5-73.1172.5167.200111.4K2265 M2266 S2273K2265-E2269 WeakPolarHBondContact CE-OE1 3.36Å; K2265-E2269 IonicContact NZ-OE1 3.19Å; K2265-E2269 PolarHBondContact NZ-OE1 2.89Å; K2265-E2269 IonicContact NZ-OE2 3.58Å; K2265-E2269 WeakPolarHBondContact O-CG 3.48Å; K2265-E2269 PolarHBondContact O-N 2.97Å; M2266-E2269 PolarHBondContact O-N 3.47Å; E2269-S2273 VanDerWaalsContact O-CB 3.29Å; E2269-S2273 WeakPolarHBondContact O-CB 3.37Å; E2269-S2273 PolarHBondContact O-N 2.88Å; E2269-S2273 PolarHBondContact O-OG 3.46Å
2270V66.9Low62.1Low63 Ų6394.8 Ų94.838%0.38247%0.469SS..Hα-helixtrans-68.8-43.8170170.40000111.2M2250 M2266 C2267 Q2272 S2273 L2274M2250-V2270 HydrophobicContact CE-CB 4.25Å; M2250-V2270 HydrophobicContact CE-CG1 4.01Å; M2266-V2270 WeakPolarHBondContact O-CG2 3.32Å; M2266-V2270 PolarHBondContact O-N 3.19Å; C2267-V2270 PolarHBondContact O-N 2.84Å; V2270-Q2272 PolarHBondContact O-N 2.82Å; V2270-S2273 PolarHBondContact O-N 3.39Å; V2270-L2274 HydrophobicContact CG1-CD1 4.08Å; V2270-L2274 WeakPolarHBondContact O-CB 3.33Å; V2270-L2274 PolarHBondContact O-N 3.19Å
2271E69.4Low62.5Low80 Ų8094 Ų9437%0.37446%0.46SS..Hα-helixtrans-62.2-41173.1-79.3-173.3141.100112I2254 C2267 S2273 S2275I2254-E2271 HydrophobicContact CD1-CG 4.49Å; I2254-E2271 WeakPolarHBondContact CD1-OE2 3.5Å; C2267-E2271 PolarHBondContact O-N 2.9Å; E2271-S2273 VanDerWaalsContact C-N 3.35Å; E2271-S2275 VanDerWaalsContact O-CB 3.3Å; E2271-S2275 WeakPolarHBondContact O-CB 3.33Å; E2271-S2275 PolarHBondContact O-N 2.85Å; E2271-S2275 PolarHBondContact O-OG 2.84Å
2272Q72.5Confident63.1Low112 Ų11290.2 Ų90.252%0.52344%0.44SS..Hα-helixtrans-66.8-34.5173.6-77.3-175.429.900112.6S2268 V2270 R2276S2268-Q2272 WeakPolarHBondContact O-CB 3.27Å; S2268-Q2272 VanDerWaalsContact O-CG 3.31Å; S2268-Q2272 WeakPolarHBondContact O-CG 3.29Å; S2268-Q2272 PolarHBondContact O-N 3.39Å; V2270-Q2272 PolarHBondContact O-N 2.82Å; Q2272-R2276 VanDerWaalsContact O-CB 3.31Å; Q2272-R2276 WeakPolarHBondContact O-CB 3.46Å; Q2272-R2276 WeakPolarHBondContact O-CG 3.28Å; Q2272-R2276 PolarHBondContact O-N 3.19Å
2273S64Low63.1Low63 Ų6387 Ų8744%0.44143%0.427SS..Hα-helixtrans-70.7-43.1176.5-60.20000111.4E2269 V2270 E2271 R2276 F2277E2269-S2273 VanDerWaalsContact O-CB 3.29Å; E2269-S2273 WeakPolarHBondContact O-CB 3.37Å; E2269-S2273 PolarHBondContact O-N 2.88Å; E2269-S2273 PolarHBondContact O-OG 3.46Å; V2270-S2273 PolarHBondContact O-N 3.39Å; E2271-S2273 VanDerWaalsContact C-N 3.35Å; S2273-R2276 PolarHBondContact O-N 2.83Å; S2273-F2277 WeakPolarHBondContact O-CB 3.24Å; S2273-F2277 PolarHBondContact O-N 3.36Å
2274L66.6Low62.8Low94 Ų9486.6 Ų86.649%0.49243%0.427SS..Hα-helixtrans-62.7-47.9172.1-83.8164.8000111.4V2270 R2276 F2277 E2278V2270-L2274 HydrophobicContact CG1-CD1 4.08Å; V2270-L2274 WeakPolarHBondContact O-CB 3.33Å; V2270-L2274 PolarHBondContact O-N 3.19Å; L2274-R2276 VanDerWaalsContact C-N 3.27Å; L2274-R2276 PolarHBondContact O-N 3.33Å; L2274-F2277 CarbonylContact O-C 3.57Å; L2274-F2277 WeakPolarHBondContact O-CA 3.42Å; L2274-F2277 WeakPolarHBondContact O-CB 3.39Å; L2274-F2277 PolarHBondContact O-N 3.44Å; L2274-E2278 WeakPolarHBondContact O-CG 3.48Å; L2274-E2278 PolarHBondContact O-N 2.87Å
2275S69.4Low62.1Low55 Ų5589 Ų8939%0.38544%0.438SS..Hα-helixtrans-64.4-31.2177.3-57.40000112.1E2271 N2279E2271-S2275 VanDerWaalsContact O-CB 3.3Å; E2271-S2275 WeakPolarHBondContact O-CB 3.33Å; E2271-S2275 PolarHBondContact O-N 2.85Å; E2271-S2275 PolarHBondContact O-OG 2.84Å; S2275-N2279 VanDerWaalsContact O-CB 3.29Å; S2275-N2279 WeakPolarHBondContact O-CB 3.33Å; S2275-N2279 PolarHBondContact O-N 3.05Å; S2275-N2279 PolarHBondContact O-ND2 3.29Å
2276R67.8Low60.8Low154 Ų15492.2 Ų92.258%0.58146%0.455SS*.Hα-helixtrans-70.9-33.3170.8-78174.9-174.4-157.44.2112.2Q2272 S2273 L2274 Y2280Q2272-R2276 VanDerWaalsContact O-CB 3.31Å; Q2272-R2276 WeakPolarHBondContact O-CB 3.46Å; Q2272-R2276 WeakPolarHBondContact O-CG 3.28Å; Q2272-R2276 PolarHBondContact O-N 3.19Å; S2273-R2276 PolarHBondContact O-N 2.83Å; L2274-R2276 VanDerWaalsContact C-N 3.27Å; L2274-R2276 PolarHBondContact O-N 3.33Å; R2276-Y2280 VanDerWaalsContact O-CB 3.25Å; R2276-Y2280 WeakPolarHBondContact O-CB 3.37Å; R2276-Y2280 PolarHBondContact O-N 2.88Å
2277F59.2Low59.5Low117 Ų11795.8 Ų95.851%0.51347%0.47SS..Hα-helixtrans-73.6-38.7174.8-173.8-109.4000112.1S2273 L2274 Y2280 L2281S2273-F2277 WeakPolarHBondContact O-CB 3.24Å; S2273-F2277 PolarHBondContact O-N 3.36Å; L2274-F2277 CarbonylContact O-C 3.57Å; L2274-F2277 WeakPolarHBondContact O-CA 3.42Å; L2274-F2277 WeakPolarHBondContact O-CB 3.39Å; L2274-F2277 PolarHBondContact O-N 3.44Å; F2277-Y2280 WeakPolarHBondContact O-CB 3.2Å; F2277-Y2280 PolarHBondContact O-N 2.88Å; F2277-L2281 HydrophobicContact CD1-CD1 3.9Å; F2277-L2281 HydrophobicContact CD1-CG 4.47Å; F2277-L2281 HydrophobicContact CE1-CD1 3.57Å; F2277-L2281 HydrophobicContact CE1-CG 4.24Å; F2277-L2281 HydrophobicContact CZ-CD1 4.1Å; F2277-L2281 HydrophobicContact CZ-CG 4.36Å; F2277-L2281 WeakPolarHBondContact O-CB 3.19Å; F2277-L2281 WeakPolarHBondContact O-CG 3.24Å; F2277-L2281 PolarHBondContact O-N 3.29Å
2278E66.8Low58Low110 Ų110102.1 Ų102.151%0.51450%0.499SS..Hα-helixtrans-64.1-48.7171-71.1176.6144.600110.7L2274 Y2280 L2281 D2282L2274-E2278 WeakPolarHBondContact O-CG 3.48Å; L2274-E2278 PolarHBondContact O-N 2.87Å; E2278-Y2280 PolarHBondContact O-N 2.94Å; E2278-L2281 CarbonylContact O-C 3.5Å; E2278-L2281 PolarHBondContact O-N 2.9Å; E2278-L2281 VanDerWaalsContact O-N 3.15Å; E2278-D2282 WeakPolarHBondContact O-CB 3.5Å; E2278-D2282 PolarHBondContact O-N 3.5Å
2279N68Low56.1Low114 Ų114106.5 Ų106.561%0.6152%0.524SS*.Hα-helixtrans-61.3-31.5172.4-78.5-64.4000112.6S2275 S2283S2275-N2279 VanDerWaalsContact O-CB 3.29Å; S2275-N2279 WeakPolarHBondContact O-CB 3.33Å; S2275-N2279 PolarHBondContact O-N 3.05Å; S2275-N2279 PolarHBondContact O-ND2 3.29Å; N2279-S2283 WeakPolarHBondContact O-CB 3.31Å; N2279-S2283 PolarHBondContact O-N 2.85Å; N2279-S2283 PolarHBondContact O-OG 3.39Å
2280Y65.2Low54.1Low132 Ų132107.2 Ų107.252%0.51854%0.536SS..Hα-helixtrans-68.4-46.1172.7176.7-100.6000111.5R2276 F2277 E2278 S2283 K2284R2276-Y2280 VanDerWaalsContact O-CB 3.25Å; R2276-Y2280 WeakPolarHBondContact O-CB 3.37Å; R2276-Y2280 PolarHBondContact O-N 2.88Å; F2277-Y2280 WeakPolarHBondContact O-CB 3.2Å; F2277-Y2280 PolarHBondContact O-N 2.88Å; E2278-Y2280 PolarHBondContact O-N 2.94Å; Y2280-S2283 PolarHBondContact O-N 3.21Å; Y2280-S2283 PolarHBondContact O-OG 3.38Å; Y2280-K2284 HydrophobicContact CE1-CG 4.36Å; Y2280-K2284 WeakPolarHBondContact O-CB 3.41Å; Y2280-K2284 PolarHBondContact O-N 3.38Å
2281L55.5Low52.3Low76 Ų76110.6 Ų110.640%0.39856%0.559SS.*Hα-helixtrans-63.7-38.4175.5-73.1174.7000112.5F2277 E2278 K2284 K2285F2277-L2281 HydrophobicContact CD1-CD1 3.9Å; F2277-L2281 HydrophobicContact CD1-CG 4.47Å; F2277-L2281 HydrophobicContact CE1-CD1 3.57Å; F2277-L2281 HydrophobicContact CE1-CG 4.24Å; F2277-L2281 HydrophobicContact CZ-CD1 4.1Å; F2277-L2281 HydrophobicContact CZ-CG 4.36Å; F2277-L2281 WeakPolarHBondContact O-CB 3.19Å; F2277-L2281 WeakPolarHBondContact O-CG 3.24Å; F2277-L2281 PolarHBondContact O-N 3.29Å; E2278-L2281 CarbonylContact O-C 3.5Å; E2278-L2281 PolarHBondContact O-N 2.9Å; E2278-L2281 VanDerWaalsContact O-N 3.15Å; L2281-K2284 CarbonylContact O-C 3.52Å; L2281-K2284 VanDerWaalsContact O-CB 3.26Å; L2281-K2284 WeakPolarHBondContact O-CB 3.41Å; L2281-K2284 PolarHBondContact O-N 3.23Å; L2281-K2285 WeakPolarHBondContact O-CG 3.14Å; L2281-K2285 PolarHBondContact O-N 2.87Å
2282D51.9Low50.3Low74 Ų74110.1 Ų110.140%0.39658%0.575SS.*Hα-helixtrans-75.8-34.4176.8-72.6-18.1000111.4E2278 K2284 K2285 E2286E2278-D2282 WeakPolarHBondContact O-CB 3.5Å; E2278-D2282 PolarHBondContact O-N 3.5Å; D2282-K2284 PolarHBondContact O-N 2.78Å; D2282-K2285 PolarHBondContact O-N 3.1Å; D2282-K2285 VanDerWaalsContact O-N 3.12Å; D2282-K2285 WeakPolarHBondContact OD1-CD 3.32Å; D2282-K2285 WeakPolarHBondContact OD1-CE 3.31Å; D2282-K2285 IonicContact OD1-NZ 2.71Å; D2282-K2285 PolarHBondContact OD1-NZ 3.38Å; D2282-E2286 PolarHBondContact O-N 2.94Å
2283S51.1Low48Very low51 Ų51109.6 Ų109.636%0.35759%0.591SS.*Hα-helixtrans-65.5-24.3167.4780000113.1N2279 Y2280 Q2287N2279-S2283 WeakPolarHBondContact O-CB 3.31Å; N2279-S2283 PolarHBondContact O-N 2.85Å; N2279-S2283 PolarHBondContact O-OG 3.39Å; Y2280-S2283 PolarHBondContact O-N 3.21Å; Y2280-S2283 PolarHBondContact O-OG 3.38Å; S2283-Q2287 WeakPolarHBondContact O-CG 3.4Å; S2283-Q2287 PolarHBondContact O-N 3.49Å
2284K43.5Very low46.4Very low95 Ų95109.5 Ų109.541%0.41359%0.594SS.*Hα-helixtrans-75.4-38.6170-93.2-80.3-170.1166.60111.6Y2280 L2281 D2282 Q2287 Q2288Y2280-K2284 HydrophobicContact CE1-CG 4.36Å; Y2280-K2284 WeakPolarHBondContact O-CB 3.41Å; Y2280-K2284 PolarHBondContact O-N 3.38Å; L2281-K2284 CarbonylContact O-C 3.52Å; L2281-K2284 VanDerWaalsContact O-CB 3.26Å; L2281-K2284 WeakPolarHBondContact O-CB 3.41Å; L2281-K2284 PolarHBondContact O-N 3.23Å; D2282-K2284 PolarHBondContact O-N 2.78Å; K2284-Q2287 CarbonylContact O-C 3.59Å; K2284-Q2287 WeakPolarHBondContact O-CA 3.39Å; K2284-Q2287 PolarHBondContact O-N 3.2Å; K2284-Q2288 PolarHBondContact O-N 3.19Å; K2284-Q2288 VanDerWaalsContact O-N 3.11Å
2285K42.4Very low44.4Very low140 Ų140112 Ų11261%0.60961%0.612SS**Hα-helixtrans-65.8-40.9171.1-68.2174.5-162.9153.80111.9L2281 D2282 Q2287 Q2288L2281-K2285 WeakPolarHBondContact O-CG 3.14Å; L2281-K2285 PolarHBondContact O-N 2.87Å; D2282-K2285 PolarHBondContact O-N 3.1Å; D2282-K2285 VanDerWaalsContact O-N 3.12Å; D2282-K2285 WeakPolarHBondContact OD1-CD 3.32Å; D2282-K2285 WeakPolarHBondContact OD1-CE 3.31Å; D2282-K2285 IonicContact OD1-NZ 2.71Å; D2282-K2285 PolarHBondContact OD1-NZ 3.38Å; K2285-Q2287 PolarHBondContact O-N 3.44Å; K2285-Q2287 VanDerWaalsContact O-N 3.08Å; K2285-Q2288 PolarHBondContact O-N 3.36Å
2286E38.5Very low42.3Very low177 Ų177119.1 Ų119.183%0.82763%0.631SS**THydrogen-bonded Turntrans-67.4-1.2170.1-71.8-165.2125.900113.5D2282D2282-E2286 PolarHBondContact O-N 2.94Å
2287Q34Very low40.3Very low166 Ų166117.3 Ų117.378%0.77664%0.637SS**THydrogen-bonded Turntrans-120.712169.8-68.4-172.511.400113.8S2283 K2284 K2285S2283-Q2287 WeakPolarHBondContact O-CG 3.4Å; S2283-Q2287 PolarHBondContact O-N 3.49Å; K2284-Q2287 CarbonylContact O-C 3.59Å; K2284-Q2287 WeakPolarHBondContact O-CA 3.39Å; K2284-Q2287 PolarHBondContact O-N 3.2Å; K2285-Q2287 PolarHBondContact O-N 3.44Å; K2285-Q2287 VanDerWaalsContact O-N 3.08Å
2288Q27.1Very low38.7Very low138 Ų138120.3 Ų120.365%0.64565%0.65SS**  trans-140.886174.1-71.5-169.5-77.800112.3K2284 K2285K2284-Q2288 PolarHBondContact O-N 3.19Å; K2284-Q2288 VanDerWaalsContact O-N 3.11Å; K2285-Q2288 PolarHBondContact O-N 3.36Å
2289V27.5Very low36.8Very low138 Ų138121.1 Ų121.184%0.83666%0.658SS**  trans-177.2145.5142.6135.60000108.9
2290P28.8Very low35Very low102 Ų102118.5 Ų118.566%0.66264%0.643SS**  cis-108.3164.9-13.833.2-20.2000112.9G2292P2290-G2292 PolarHBondContact O-N 3.34Å
2291P28.7Very low33.4Very low135 Ų135115.8 Ų115.888%0.87764%0.638SS**  trans-63.6113.4150.829.6-30.9000108.1
2292G28.4Very low32.2Very low69 Ų69115.3 Ų115.371%0.71165%0.645SS**  trans-105.6111.2-179.600000110.6P2290P2290-G2292 PolarHBondContact O-N 3.34Å
2293A24.4Very low31.6Very low102 Ų102115.7 Ų115.784%0.84365%0.651SS**  trans-66.7-178.8174.500000112.7
2294A28.9Very low30.9Very low61 Ų61117.4 Ų117.450%0.50466%0.66SS.*  trans78.194.7172.100000116.9R2296A2294-R2296 HydrophobicContact CB-CG 3.94Å; A2294-R2296 PolarHBondContact O-N 3.1Å
2295V25.8Very low30.2Very low145 Ų145122 Ų12288%0.87968%0.675SS**  trans-46.7108.1132.6173.80000108
2296R25.9Very low29.9Very low205 Ų205125 Ų12577%0.77468%0.682SS**  trans-128.994.5171.9-94171.4-165.9-160.25.8110.7A2294 F2298A2294-R2296 HydrophobicContact CB-CG 3.94Å; A2294-R2296 PolarHBondContact O-N 3.1Å; R2296-F2298 PolarHBondContact O-N 3.37Å
2297T25.3Very low29.6Very low116 Ų116119.3 Ų119.371%0.71267%0.671SS**THydrogen-bonded Turntrans-52.8128.8159.940.30000110.7D2299T2297-D2299 PolarHBondContact O-N 2.96Å
2298F26.1Very low29.5Very low181 Ų181120.2 Ų120.279%0.79468%0.675SS**THydrogen-bonded Turntrans47.752.9159.9-59.7-73.5000115.9R2296 I2300R2296-F2298 PolarHBondContact O-N 3.37Å; F2298-I2300 HydrophobicContact CB-CG1 4.14Å; F2298-I2300 HydrophobicContact CD1-CD1 4.29Å
2299D25.6Very low29.8Very low127 Ų127124.9 Ų124.968%0.67969%0.686SS**  trans-67.1134.6148.9-160.9-5.6000108.3F394 T2297F394-D2299 WeakPolarHBondContact CD2-O 3.44Å; T2297-D2299 PolarHBondContact O-N 2.96Å
2300I31.4Very low29.7Very low58 Ų58122.9 Ų122.930%0.29768%0.679SS.*  trans-140.894.6-160.3-83.4-133.3000105.6P393 F394 F2298P393-I2300 VanDerWaalsContact CA-C 3.44Å; P393-I2300 WeakPolarHBondContact CA-O 3.18Å; P393-I2300 HydrophobicContact CB-CB 4.47Å; P393-I2300 HydrophobicContact CB-CG2 3.31Å; P393-I2300 WeakPolarHBondContact CB-O 3.48Å; F394-I2300 HydrophobicContact CB-CB 3.82Å; F394-I2300 HydrophobicContact CB-CD1 3.64Å; F394-I2300 HydrophobicContact CB-CG1 3.58Å; F394-I2300 HydrophobicContact CB-CG2 4.04Å; F394-I2300 HydrophobicContact CG-CG1 4.24Å; F2298-I2300 HydrophobicContact CB-CG1 4.14Å; F2298-I2300 HydrophobicContact CD1-CD1 4.29Å
2301D30.8Very low29.7Very low75 Ų75122.6 Ų122.640%0.40168%0.679SS.*  trans31.1157.2-177.3-60.9-19.8000120.7N392 F394N392-D2301 CarbonylContact C-O 3.3Å; N392-D2301 WeakPolarHBondContact CA-O 3.49Å; N392-D2301 PolarHBondContact N-O 3.32Å; N392-D2301 VanDerWaalsContact N-O 3.13Å; F394-D2301 WeakPolarHBondContact CA-OD2 3.16Å; F394-D2301 WeakPolarHBondContact CD2-OD1 3.14Å; F394-D2301 WeakPolarHBondContact CG-OD1 3.43Å; F394-D2301 PolarHBondContact N-OD2 2.75Å
2302A30.8Very low29.7Very low66 Ų66122.1 Ų122.155%0.54567%0.673SS.*  -123.9153.1126.600000107.8
2303P39.2Very low29.8Very low83 Ų83122.3 Ų122.354%0.53966%0.664SS.*  -150.6177.1105.143-27000112.3
2304T36.2Very low30.1Very low86 Ų86121.6 Ų121.653%0.52865%0.649SS.*  cis-153.5135.49.2-20.30000105.2S389 G390S389-T2304 CarbonylContact C-O 3.33Å; S389-T2304 VanDerWaalsContact C-O 3.24Å; S389-T2304 WeakPolarHBondContact CB-O 3.4Å; S389-T2304 CarbonylContact O-C 3.36Å; G390-T2304 WeakPolarHBondContact CA-O 3.3Å
2305R29.6Very low30.2Very low193 Ų193123.6 Ų123.673%0.72865%0.652SS**  39.5133.679.4-101.9-177.6173.8-166.61.7112.6S389S389-R2305 PolarHBondContact O-N 3.05Å
2306R35.1Very low30.5Very low202 Ų202120.8 Ų120.876%0.76264%0.644SS**  cis-135.9165.45.3-69171.2170.5160.8-5.3106.2
2307G32.3Very low30.8Very low58 Ų58114.1 Ų114.160%0.59864%0.638SS**  cis110.8135.524.300000110
2308H32.3Very low31.1Very low184 Ų184116.3 Ų116.385%0.85265%0.645SS**  trans63.6134.3-170.9-56.9-84.6000117.5
2309R33.3Very low31.5Very low237 Ų237113.1 Ų113.189%0.89464%0.636SS**  -149.5175.3112-101.8160.2-168.4-102.4-0.5108.8
2310S25.9Very low31.9Very low96 Ų96113.3 Ų113.367%0.67164%0.637SS**SBendtrans-53.4171.3149.9540000111.4
2311S28.5Very low32Very low95 Ų95120.5 Ų120.566%0.66466%0.66SS**  trans64.9120.4157.550.10000119.8
2312T29Very low32.2Very low125 Ų125121.2 Ų121.277%0.76767%0.671SS**  trans74.8103.9134.956.30000122.5
2313S29Very low32.4Very low74 Ų74126.7 Ų126.752%0.51768%0.682SS.*  89.2114.8110.871.80000124.3I385I385-S2313 VanDerWaalsContact CG2-C 3.49Å; I385-S2313 VanDerWaalsContact CG2-O 3.24Å; I385-S2313 WeakPolarHBondContact CG2-O 3.26Å
2314T32.1Very low32.3Very low86 Ų86131.7 Ų131.753%0.52870%0.696SS.*  79.2109.2127.156.30000123.7S384 I385S384-T2314 PolarHBondContact O-N 2.76Å; I385-T2314 VanDerWaalsContact CB-C 3.46Å
2315N30.5Very low32.3Very low104 Ų104137.2 Ų137.256%0.55671%0.712SS**  trans54.9110.3149.3-65.40.1000125.5S384 I385S384-N2315 WeakPolarHBondContact CB-OD1 3.48Å; S384-N2315 PolarHBondContact OG-OD1 2.91Å; I385-N2315 VanDerWaalsContact CG1-N 3.34Å
2316A32.1Very low32.3Very low86 Ų86139.9 Ų139.971%0.71174%0.74SS**  57.6134.2123.600000124
2317G32.2Very low32.1Very low64 Ų64136.8 Ų136.866%0.6674%0.738SS**  119.6127.2120.800000120.1
2318L31.3Very low32.1Very low162 Ų162140.9 Ų140.985%0.84875%0.746SS**  trans66156.4140.8-51.8179.6000118.1
2319D33.9Very low32.1Very low115 Ų115138.5 Ų138.562%0.61574%0.74SS**  cis-163.8159.8-11.4-126.3-20.3000111.6
2320L33.4Very low32Very low131 Ų131132.7 Ų132.769%0.68673%0.731SS**  trans55.7156.4146.7-59.7164.7000119.4
2321R34.6Very low32.4Very low208 Ų208135 Ų13579%0.78574%0.735SS**  cis-166147.8-4.7-131.9172.6177.8-174.61.3109.8
2322S35.3Very low32.7Very low91 Ų91137.7 Ų137.764%0.63674%0.739SS**  trans54.4148.4139.9-71.80000121.4
2323K35.5Very low33Very low180 Ų180138.6 Ų138.678%0.78374%0.737SS**  cis-167.1150.81.8-115.9165.6-172.9176.30110.8
2324K35.8Very low33.3Very low189 Ų189143.5 Ų143.582%0.82275%0.754SS**  trans49.6103.8151.3-67-170171.7-166.80119.8
2325K36.8Very low33.4Very low202 Ų202148.3 Ų148.388%0.87877%0.773SS**  172.981.999-105.7-160.6171.2-167.50112.1
2326L29Very low33.6Very low248 Ų248152.4 Ų152.4100%1.29879%0.793SS**  -135.70100-14072.3000107.3

Retrieved 2,326 of 2,326 residues in 1637.5 ms (Link to these results)