A0A5K4F0J3_SCHMA Loading...

Cut-like 1 (Ctl1)

AlphaFold DB , UniProt , Accession A0A5K4F0J3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,862 aa.

>A0A5K4F0J3_SCHMA|A0A5K4F0J3
MCTLEKSDLPVTSAHSIAIINSTISRASLMDRQNKLHSVKDDPSSHHCFINSKNRKSYKNRPSSSMYRLKILKRCGRHLKRLIGHKMDVDETVFENNDENEDDNCSFSTNSCPTITRLSSSSSTYLHQCRENCIRMKILKDVQNQQNKLSQEVSQLKQQFLEIQTVLVSIQNILINRIHLQSSCTTTTSSTYPHPLNSSIYLYNNKNNMPIFSPTTPLINTELPTIDIGSASFSLNNVHNTKITHNPLRTPDNFNYVTNNSSPLYCTSTTVTTLPSSVIHNPSTLSTSFMPLKISTNPPSSENVPISPLSISSSPSVLSVLYGSIPSCIPLCVTSKIPSDNNINSIVGRPQINQTVTDSMSISQMHYIPLNEQNNLPPTFTATTTSTITTQTGATESYPPISSINLLGPGYPRTTTCLSTTLANTTSTDSPTSSTSAVVLSHNDECISLSHSGAVFNCIDENIDPLDSPTSIDSSQQFMKDQIEPLNTFEIAATVRDLLTKHNISQRQFSRHILKLSQGTMSELLSKPRPWYRLTARGRDSYRRLQAWISDPNNVNSLKNTQRRRNETNQSACEITSLNNQQSLLSPNSNPVSAPCQKDFSLTKSTSTSPFVYRNDIEPLSVLTSRPEKTEPIYDLETQKSNDSHHYHHQQQQQPGKETNCSHRSSMKSSESVHPDENIVSKEEQETERRINQILLAAKAAMDYEKQIKANGLTEKINSDSFDNTLTMKQHQSPFSDCQAGIYNSNCLSVSAISTLDADSQTTNNTTTTVTTSGSIINSFESTIVTSLVDESNGIAVYHHSSSQLSPYPNNLLRHGINVSSNSSTVSNHNNSFDNINNLSCTPTVCYSSVQTCPSVNEITICSKLPSSQLVASSLPVCSNNTVLHVTHQSVPIMSNGITVSDLLKLFTTQLTNNSGNSNKPVIFDSTLDNNNSSYSSKVQSTITLPCALNASKNATNNKQNILFNGNLPLLANSSSISSPYSVNNTVIKQDDCAPIYTPLETIITTTTPAMTNEFPMPILSPSIIKLNNHLPIPPLGIPPVSTPLFSQTSSNPTSLSSSPMSLQQTLMLLASAATASVPLKTSSTLANSEHINVNQWNHADSSTATITAPATINTNTTTTTVPLLTNSDTVHHHNPYETTDDNLSDSSYINSTMFSFQRVVLPPLKQEDIDKYSELCTEEIAHRTRSILSQYSISQRLFGAYILGLSQGSVSDLLARPKPWKLLTQKGREPFIRMQLFLNNPDHIIKLLQSCSCQSGIIHSNHQSDINISSNISMQQQCIDQIIPPPPSTTTTTFGNTLSILNPSSYDSQVMYPGQTIDCSLFEPITSPSGSPTPNSIQNEYSNENEIMLPLNNNSNSSNNNNNNNNNNQNSSVYQRPTSKKVMELATSLTDLDTASMCGKIKELLQRHSIPQRLFGDVVLGMCQASVSDILSKTRPWSHLSNKARIPYVRLHLWLQEPDHLEMLKAAQANIKTFTRPNSNVKIIQGHETSTIQHQQQQTTDLSSEYLLSIRPESSDVIISSDLRSKQHSSSSIAITTATTTTPSRKRTPSLSSSPSSSLCNQETLINSPISNKNSKLLKIDKSQIILSPNNNNNKIKNASINNSQIAPIDHLNEHERQSLFDIAKAATTVMLLASNSNSCRQNKTKSKLSMSPMYNIKQSNKLLTNSKKKSNNNLSKCKRHQVISRSRRRLCNISQSQQDVLISACSEHQLPLSTETMKSLAQDLCLPYKTILSWIHNYGAYIQQNNQSKLGIVSDAADSESDYSIEESNDKLYDNDVSLEKQHKPPITTSTITATTTDHLTSSSSDQYVDKQHLPHNRRKPINPTRLACAVAVVNSPDKSIHPATLSNSNEHENLIVPVT
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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
1M27.1Very low31Very low193 Ų193131.1 Ų131.195%0.95173%0.725SS**  0143.60-76.6-59.4-159.300109.1
2C31.4Very low31Very low138 Ų138130.9 Ų130.993%0.93273%0.731SS**  trans-133.3113.6160.7-64.70000106.5
3T27.2Very low30.9Very low102 Ų102129.1 Ų129.163%0.62673%0.732SS**  trans-161.7136.8-160.939.70000106.6
4L28.3Very low30.8Very low138 Ų138125.6 Ų125.672%0.72373%0.728SS**  cis-138143.915.1-85.6107.2000112.4
5E29Very low30.8Very low135 Ų135129.3 Ų129.363%0.63174%0.735SS**  45.6155.6115-53.9-156.8139.800121.9
6K31.6Very low30.6Very low152 Ų152126.4 Ų126.466%0.66173%0.725SS**  cis-159.9138.4-3.1-116.9168.8-176.2143.10107.4
7S30.2Very low30.4Very low88 Ų88128.4 Ų128.462%0.61573%0.731SS**  85.4161.280.383.40000116.5
8D30.1Very low30.2Very low132 Ų132126 Ų12671%0.70673%0.729SS**  trans123.4146157.8-69.714.2000114
9L31.4Very low30.1Very low142 Ų142127.2 Ų127.274%0.74373%0.731SS**  cis-162.8-161.9-11.5-109.2173.2000105.9
10P44.4Very low30Very low107 Ų107127.3 Ų127.370%0.69573%0.728SS**  cis-115.9-159.2-4.122.84.7000111.3
11V30.3Very low29.7Very low115 Ų115128 Ų12870%0.69773%0.729SS**  cis-152.9149.813.9-142.50000110.3
12T31.1Very low29.6Very low129 Ų129123.6 Ų123.679%0.79172%0.718SS**  trans45.5135.6157.4450000120.6
13S29.6Very low29.4Very low107 Ų107122.3 Ų122.375%0.74871%0.706SS**  cis-168.1152.40.451.10000113.1
14A29.8Very low29.5Very low81 Ų81124.8 Ų124.867%0.66971%0.714SS**  trans74.9114.8150.600000121.7
15H29.9Very low29.4Very low181 Ų181122.3 Ų122.384%0.83871%0.708SS**  trans69.5152.7135.3-71.847.4000120.1
16S29Very low29.3Very low83 Ų83126.8 Ų126.858%0.5872%0.719SS**  cis-173.2130.2-27-96.80000110.6
17I26.3Very low29.2Very low160 Ų160123.1 Ų123.182%0.82172%0.717SS**  trans63.8156.9144.4-56.3170.9000118
18A27.5Very low29.3Very low85 Ų85124.3 Ų124.370%0.70273%0.725SS**  trans73.7158.2159.300000119.5
19I27.4Very low29.3Very low148 Ų148124.8 Ų124.876%0.75973%0.727SS**  cis-168.8155.3-35.2-134.2169.4000109.7
20I27.8Very low29.4Very low130 Ų130124.7 Ų124.767%0.66772%0.724SS**  trans59.6126.4154.9-71.6173.4000121.7
21N25Very low29Very low141 Ų141125.3 Ų125.375%0.75472%0.722SS**  trans36.1147141-51.5-12000124.7
22S24.6Very low29.1Very low102 Ų102128.9 Ų128.971%0.71372%0.723SS**  96.5137.9127.668.80000122.7
23T27.3Very low29.2Very low111 Ų111129.1 Ų129.168%0.68172%0.715SS**  trans57.4111.1141.348.90000121.9
24I28.2Very low29.3Very low154 Ų154130.4 Ų130.479%0.7971%0.714SS**  57.3139.5102.7-68.1172.6000119.3
25S26.2Very low29.4Very low86 Ų86134.7 Ų134.760%0.60172%0.717SS**  trans92.197.8152.7-88.10000121.6
26R27.6Very low29.2Very low228 Ų228132.1 Ų132.186%0.8671%0.709SS**  93.9136.199-106.7-170.4168.4104.5-6.2122
27A28.6Very low29.2Very low75 Ų75136 Ų13662%0.6272%0.718SS**  71.5118.9126.700000121.6
28S32.7Very low29.2Very low113 Ų113133.6 Ų133.679%0.7972%0.715SS**  -178.9149.1107.4-85.40000110.9
29L30.8Very low29.3Very low142 Ų142135.8 Ų135.874%0.74372%0.719SS**  cis-160.7171.2-15.3-160.170.5000109.1
30M33.4Very low29.5Very low140 Ų140136.7 Ų136.769%0.6972%0.718SS**  trans94.7118.8155.9-52.6-128.267.200119.6
31D35.4Very low29.7Very low120 Ų120136.2 Ų136.264%0.64272%0.716SS**  trans62.1147.7139.5-74.510.3000123.7
32R32.7Very low29.8Very low190 Ų190137.3 Ų137.372%0.71772%0.722SS**  cis-166.2152.3-37.7-130.6178.5166.9169.9-4.3110.7
33Q32.6Very low30.4Very low135 Ų135137.6 Ų137.663%0.63172%0.722SS**  trans66.8134.8145.3-87.1166.7-3500122.5
34N32.3Very low30.5Very low134 Ų134137.9 Ų137.972%0.71773%0.728SS**  trans78.8153.7137.3-67.1-15.2000121.2
35K32.4Very low30.4Very low171 Ų171134.8 Ų134.874%0.74372%0.72SS**  cis-171.4134.7-32.6-158.6-177.1176.9-176.60110.3
36L24.7Very low30.5Very low126 Ų126139 Ų13966%0.6673%0.73SS**  trans58.7157154-104.458.8000123.3
37H30.7Very low30.6Very low166 Ų166135.7 Ų135.777%0.76972%0.724SS**  trans70.797.6153.1-67.8-30.4000122.2
38S25.5Very low30.4Very low109 Ų109136.7 Ų136.776%0.76273%0.725SS**  -2.2134.4120.5-179.70000118
39V29Very low30.2Very low130 Ų130140.5 Ų140.579%0.78873%0.728SS**  trans-163134.2135.7117.50000112.7
40K31.6Very low30Very low168 Ų168140.1 Ų140.173%0.7373%0.725SS**  trans84.5141.7149.1-83-176.8158.5-146.60126.7
41D31.9Very low29.7Very low120 Ų120140.5 Ų140.564%0.64273%0.73SS**  trans7481.3139.3-54.7-11.4000122.3
42D27.1Very low29.3Very low163 Ų163139 Ų13987%0.87273%0.729SS**  35.3163.5112.8-84.7-26.2000124.6
43P38.9Very low29.2Very low109 Ų109139.4 Ų139.471%0.70874%0.736SS**  trans-119.5-171.4-155.145-35.4000117.4
44S27.8Very low28.9Very low116 Ų116139.4 Ų139.481%0.81174%0.741SS**  trans85.6150.9169.888.70000116
45S26.9Very low28.7Very low90 Ų90143.3 Ų143.363%0.62975%0.745SS**  cis-164.2175.4-14.846.60000111.6
46H28.8Very low28.6Very low173 Ų173143.8 Ų143.880%0.80175%0.747SS**  trans66.8160.6178.2-64.2-88.4000115.5
47H29.8Very low28.7Very low159 Ų159142.6 Ų142.674%0.73675%0.75SS**  cis-138.5174.39.1-161.7-98.4000112.7
48C24.4Very low28.5Very low96 Ų96144 Ų14465%0.64975%0.75SS**  trans-70.2156.4-176.5-51.30000114.7
49F28.2Very low28.9Very low193 Ų193148.7 Ų148.785%0.84676%0.756SS**  -162.3176.2113.1-118.3-82.3000114.1
50I26.9Very low29Very low135 Ų135149.5 Ų149.569%0.69276%0.756SS**  trans-115.5134.6-162-64.8156.1000111.2
51N27.1Very low29Very low147 Ų147152 Ų15279%0.78676%0.76SS**  -168.2179.7121.9-124.6-60000117.1
52S25.2Very low29.1Very low89 Ų89152 Ų15262%0.62277%0.767SS**  trans-136156.5-165.365.20000113
53K32.1Very low29.1Very low199 Ų199148.8 Ų148.887%0.86576%0.757SS**  trans159.9121.6154.1-87.4148.2-167.2173.90107.7
54N25.7Very low28.6Very low135 Ų135149.2 Ų149.272%0.72276%0.763SS**  cis83.987.912.8-162.4-4000117.4
55R28.5Very low28.6Very low215 Ų215148.6 Ų148.681%0.81176%0.759SS**  trans179128.6137.3-96.9163.2-168.5-149.34.7110.4
56K30.1Very low28.8Very low182 Ų182149.9 Ų149.979%0.79176%0.756SS**  68.113586.2-68.2-170.9-167.9-1790113.9
57S26.9Very low29.1Very low101 Ų101149.8 Ų149.871%0.70675%0.75SS**  cis-151.2-134.7-7-154.20000109.8
58Y27.4Very low29.3Very low196 Ų196149.6 Ų149.677%0.76974%0.743SS**  cis-162.5131.45.4-131-34.9000110.9
59K32.7Very low29.9Very low207 Ų207149.9 Ų149.990%0.974%0.738SS**  trans-168.4161.2145.1-108.4165-172.4178.20111.7
60N30.8Very low30.4Very low146 Ų146147.3 Ų147.378%0.78173%0.726SS**  trans-101.1166.2-148.8-72.1-34.4000117
61R32.8Very low31.2Very low220 Ų220146.1 Ų146.183%0.8372%0.72SS**  trans-97.2152.5175.1-145.8-169.8-168.2-1787.5110.9
62P33.7Very low31.6Very low121 Ų121143.5 Ų143.579%0.78671%0.705SS**  -136.2-169.5103.942.2-32.4000111
63S27.2Very low32.5Very low95 Ų95146.6 Ų146.666%0.66471%0.708SS**  cis-134.4-137.3-2.267.60000110.2
64S27.5Very low32.9Very low119 Ų119146.5 Ų146.583%0.83270%0.702SS**  trans-143.397.3178173.20000113.4
65S27.7Very low33.5Very low102 Ų102143.4 Ų143.471%0.71369%0.69SS**  trans-154.7-30.1170.163.10000114.2Y67S65-Y67 VanDerWaalsContact C-N 3.3Å; S65-Y67 PolarHBondContact O-N 3.27Å
66M31.7Very low34.4Very low117 Ų117135.3 Ų135.358%0.57667%0.673SS**THydrogen-bonded Turntrans-7752.6-165.4-108.1-86.6-103.300116.3L69M66-L69 HydrophobicContact SD-CB 4.09Å; M66-L69 HydrophobicContact SD-CD2 4.17Å
67Y34.1Very low35.1Very low171 Ų171134.8 Ų134.867%0.67167%0.666SS**THydrogen-bonded Turntrans-120.7-16.6177-121.5-80.9000116.8S65S65-Y67 VanDerWaalsContact C-N 3.3Å; S65-Y67 PolarHBondContact O-N 3.27Å
68R35.1Very low35.8Very low156 Ų156135.8 Ų135.859%0.58966%0.659SS**SBendtrans-78-38.5168.9-86.3-177.8166.1179.3-7.2112K70 I71R68-K70 VanDerWaalsContact C-N 3.34Å; R68-K70 PolarHBondContact O-N 2.66Å; R68-I71 PolarHBondContact O-N 2.87Å
69L37.2Very low36.5Very low102 Ų102130.2 Ų130.253%0.53464%0.643SS.*Hα-helixtrans-68-26.5-173.6-141.870.8000114.7M66 I71 K73M66-L69 HydrophobicContact SD-CB 4.09Å; M66-L69 HydrophobicContact SD-CD2 4.17Å; L69-I71 VanDerWaalsContact C-N 3.3Å; L69-I71 PolarHBondContact O-N 3.49Å; L69-K73 PolarHBondContact O-N 3.4Å
70K38.5Very low37Very low138 Ų138128.8 Ų128.860%0.664%0.637SS**Hα-helixtrans-74.1-15.3178.3-73.9-173.5175.5-177.90114.1R68 R74R68-K70 VanDerWaalsContact C-N 3.34Å; R68-K70 PolarHBondContact O-N 2.66Å; K70-R74 WeakPolarHBondContact O-CB 3.33Å
71I43.3Very low37.6Very low110 Ų110130.4 Ų130.456%0.56463%0.632SS**Hα-helixtrans-78.3-46.3173.6-63.9176.8000109.6R68 L69 K73 R74 C75R68-I71 PolarHBondContact O-N 2.87Å; L69-I71 VanDerWaalsContact C-N 3.3Å; L69-I71 PolarHBondContact O-N 3.49Å; I71-K73 PolarHBondContact O-N 3.34Å; I71-R74 CarbonylContact O-C 3.6Å; I71-R74 WeakPolarHBondContact O-CA 3.19Å; I71-R74 PolarHBondContact O-N 3.22Å; I71-C75 PolarHBondContact O-N 3.44Å
72L36.4Very low38Very low93 Ų93126.2 Ų126.249%0.48763%0.625SS.*Hα-helixtrans-59.1-46.3174.8-71.2164.2000112R74 C75 G76L72-R74 PolarHBondContact O-N 2.71Å; L72-C75 PolarHBondContact O-N 3.05Å; L72-G76 PolarHBondContact O-N 2.98Å
73K43.1Very low38.4Very low154 Ų154125.9 Ų125.967%0.6762%0.615SS**Hα-helixtrans-69.57.5171.9-72.2-162.8174.8-169.80115L69 I71 R77L69-K73 PolarHBondContact O-N 3.4Å; I71-K73 PolarHBondContact O-N 3.34Å; K73-R77 PolarHBondContact O-NE 3.02Å; K73-R77 VanDerWaalsContact O-NE 3.12Å; K73-R77 PolarHBondContact O-NH2 2.76Å
74R39.8Very low38.7Very low196 Ų196123.9 Ų123.974%0.7461%0.61SS**Hα-helixtrans-116.8-35.3169.6-160.8169.3-175.5121-1.6112.4K70 I71 L72 R77 H78K70-R74 WeakPolarHBondContact O-CB 3.33Å; I71-R74 CarbonylContact O-C 3.6Å; I71-R74 WeakPolarHBondContact O-CA 3.19Å; I71-R74 PolarHBondContact O-N 3.22Å; L72-R74 PolarHBondContact O-N 2.71Å; R74-R77 PolarHBondContact O-N 3.39Å; R74-H78 PolarHBondContact O-N 3.08Å
75C38.4Very low38.9Very low71 Ų71125.5 Ų125.548%0.4860%0.604SS.*Hα-helixtrans-59.9-48.4166.4-67.70000111.2I71 L72 R77 H78 L79I71-C75 PolarHBondContact O-N 3.44Å; L72-C75 PolarHBondContact O-N 3.05Å; C75-R77 PolarHBondContact O-N 3.49Å; C75-H78 PolarHBondContact O-N 3.03Å; C75-L79 PolarHBondContact O-N 3.01Å
76G47.7Very low39.1Very low44 Ų44128.2 Ų128.245%0.45460%0.603SS.*Hα-helixtrans-59.9-32.2175.400000113.7L72 K80L72-G76 PolarHBondContact O-N 2.98Å; G76-K80 WeakPolarHBondContact O-CB 3.44Å; G76-K80 PolarHBondContact O-N 3.07Å
77R44.7Very low38.9Very low171 Ų171130.3 Ų130.365%0.64561%0.614SS**Hα-helixtrans-77.7-20.8172.9-94.9-172.2-73.8-165.7-7.7114.3K73 R74 C75 R81K73-R77 PolarHBondContact O-NE 3.02Å; K73-R77 VanDerWaalsContact O-NE 3.12Å; K73-R77 PolarHBondContact O-NH2 2.76Å; R74-R77 PolarHBondContact O-N 3.39Å; C75-R77 PolarHBondContact O-N 3.49Å; R77-R81 WeakPolarHBondContact O-CG 3.21Å; R77-R81 PolarHBondContact O-N 2.96Å
78H41.7Very low38.5Very low122 Ų122129.4 Ų129.457%0.56562%0.62SS**Hα-helixtrans-82.9-35171.3-138.7-42.1000111.3R74 C75 R81 L82R74-H78 PolarHBondContact O-N 3.08Å; C75-H78 PolarHBondContact O-N 3.03Å; H78-R81 CarbonylContact O-C 3.58Å; H78-R81 PolarHBondContact O-N 3.15Å; H78-L82 PolarHBondContact O-N 3.49Å
79L41.5Very low38.3Very low80 Ų80127.9 Ų127.942%0.41963%0.628SS.*Hα-helixtrans-66.5-46172.7-156.175000110.9C75 R81 L82 I83C75-L79 PolarHBondContact O-N 3.01Å; L79-R81 PolarHBondContact O-N 3.39Å; L79-R81 VanDerWaalsContact O-N 3.13Å; L79-L82 PolarHBondContact O-N 3.25Å; L79-I83 HydrophobicContact CD2-CD1 4.4Å; L79-I83 HydrophobicContact CG-CD1 4.01Å; L79-I83 WeakPolarHBondContact O-CG1 3Å; L79-I83 PolarHBondContact O-N 3.06Å
80K43.4Very low37.7Very low177 Ų177130.2 Ų130.277%0.7764%0.641SS**Hα-helixtrans-63.6-16.4173.2-165.3164.6-176.31740113.5G76 G84G76-K80 WeakPolarHBondContact O-CB 3.44Å; G76-K80 PolarHBondContact O-N 3.07Å; K80-G84 PolarHBondContact O-N 3.11Å; K80-G84 VanDerWaalsContact O-N 3.16Å
81R44.8Very low37.3Very low179 Ų179132.8 Ų132.868%0.67566%0.655SS**Hα-helixtrans-94.3-15.5169.8-77.3178.5178.6174.7-4.2114.9R77 H78 L79R77-R81 WeakPolarHBondContact O-CG 3.21Å; R77-R81 PolarHBondContact O-N 2.96Å; H78-R81 CarbonylContact O-C 3.58Å; H78-R81 PolarHBondContact O-N 3.15Å; L79-R81 PolarHBondContact O-N 3.39Å; L79-R81 VanDerWaalsContact O-N 3.13Å
82L40.4Very low36.7Very low133 Ų133133.6 Ų133.670%0.69667%0.665SS**Hα-helixtrans-90.1-24.6172.2-92153.9000111.6H78 L79H78-L82 PolarHBondContact O-N 3.49Å; L79-L82 PolarHBondContact O-N 3.25Å
83I42.9Very low36.3Very low113 Ų113134.6 Ų134.658%0.57968%0.675SS**Hα-helixtrans-90.9-30173.1-63.2172.1000110.8L79 H85L79-I83 HydrophobicContact CD2-CD1 4.4Å; L79-I83 HydrophobicContact CG-CD1 4.01Å; L79-I83 WeakPolarHBondContact O-CG1 3Å; L79-I83 PolarHBondContact O-N 3.06Å; I83-H85 PolarHBondContact O-N 2.87Å
84G32.2Very low35.7Very low54 Ų54135.3 Ų135.356%0.55768%0.679SS**SBendtrans-96.844.9178.200000114.8K80K80-G84 PolarHBondContact O-N 3.11Å; K80-G84 VanDerWaalsContact O-N 3.16Å
85H32.5Very low35Very low152 Ų152133.2 Ų133.270%0.70468%0.677SS**SBendtrans-147.840.3176-123.2-2.6000112.5I83I83-H85 PolarHBondContact O-N 2.87Å
86K31.7Very low34.7Very low159 Ų159136.3 Ų136.369%0.69169%0.689SS**SBendtrans-148.932.9163.4-152.9-140.7177.9-142.10112.5E131K86-E131 IonicContact NZ-OE1 2.6Å; K86-E131 PolarHBondContact NZ-OE1 3.02Å
87M27.9Very low33.7Very low162 Ų162140.2 Ų140.280%0.79870%0.7SS**  trans-147.377.5168.8-70-166.874.900107.9
88D25.7Very low33.1Very low151 Ų151137.5 Ų137.581%0.80770%0.698SS**  trans-106.8100.3149.7-70.5-60.6000104.3
89V31.1Very low32.5Very low125 Ų125139 Ų13976%0.75871%0.705SS**  trans-123.9128.1163.6172.20000103.2E91V89-E91 PolarHBondContact O-N 3.31Å
90D24.8Very low31.9Very low151 Ų151140.3 Ų140.381%0.80771%0.712SS**  trans-64.1117.7-174.6-61.8-76.7000110.9
91E29.1Very low31.2Very low191 Ų191139.2 Ų139.289%0.89371%0.71SS**  trans-145.6110.2161.9-158.3158.7-126.700110.3V89V89-E91 PolarHBondContact O-N 3.31Å
92T30.3Very low30.5Very low127 Ų127137.3 Ų137.378%0.77971%0.713SS**  trans-88.1119.3173.849.70000110
93V28.7Very low30Very low114 Ų114136.9 Ų136.969%0.69171%0.712SS**  49.4110127.4176.60000115.4
94F30.1Very low29.5Very low169 Ų169137 Ų13774%0.74171%0.714SS**  cis-132.6163.131.1-79.6-88.5000110.7
95E25.9Very low29.2Very low152 Ų152139.9 Ų139.971%0.7172%0.724SS**  46.7119.873.9-99.5164.6-155.300111.5
96N31.1Very low28.9Very low137 Ų137137 Ų13773%0.73372%0.721SS**  cis-145.4146.636.7-54.4-85.5000112.2
97N27.8Very low28.6Very low126 Ų126139.2 Ų139.267%0.67473%0.731SS**  13.3144.8105.8-77.551.6000117.8
98D31.2Very low28.4Very low113 Ų113135.5 Ų135.560%0.60472%0.721SS**  cis-160.4160.117.5-109.9-29.5000112
99E29.7Very low28.4Very low155 Ų155133.4 Ų133.472%0.72471%0.714SS**  trans60.2151.4144.5-65.2-177171.200120.3
100N28.8Very low28.1Very low106 Ų106135 Ų13557%0.56772%0.718SS**  cis-161172.1-11.1-112.4-13.1000111.1
101E27.7Very low28.2Very low155 Ų155133.6 Ų133.672%0.72472%0.72SS**  trans45134.2141-64.9169.6167.400119.6
102D29.9Very low28Very low138 Ų138130.4 Ų130.474%0.73872%0.717SS**  cis-147.4-172.75.7-87.9-37.7000107.7
103D31.7Very low28.4Very low124 Ų124129.3 Ų129.366%0.66371%0.713SS**  cis-165.3166.624.1-159.90.1000112.5
104N31.6Very low28.4Very low116 Ų116127.2 Ų127.262%0.6270%0.7SS**  trans48111.2153.9-85.2-55.7000120.2
105C25.4Very low28.3Very low114 Ų114125.9 Ų125.977%0.7770%0.699SS**  77.4146.592.6-77.10000115.8
106S27.4Very low28.5Very low93 Ų93124.3 Ų124.365%0.6570%0.7SS**  cis-173.6136.3-2.146.30000111.8
107F25.5Very low28.3Very low204 Ų204128.3 Ų128.390%0.89571%0.705SS**  trans59.7163.9157.3-74.3-119.1000118.3
108S23Very low28.3Very low85 Ų85130 Ų13059%0.59471%0.713SS**  cis-161.8162.4-37.263.90000112.1
109T24.9Very low28Very low107 Ų107129.3 Ų129.366%0.65672%0.717SS**  trans60.5116.4149.448.80000123.2
110N24.7Very low27.8Very low158 Ų158127 Ų12785%0.84572%0.718SS**  trans70.8150.1139.6-50.6-22.2000118.3
111S28.5Very low27.8Very low122 Ų122127.6 Ų127.685%0.85373%0.73SS**  cis-153.4164.712.551.50000114
112C24.3Very low27.9Very low123 Ų123124.1 Ų124.183%0.83172%0.723SS**  trans-110-178.7169.9-123.20000110.7
113P38.2Very low27.9Very low105 Ų105122.8 Ų122.868%0.68273%0.725SS**  cis-129.2-172.5-5.337.2-15.9000114.1
114T28.3Very low28.4Very low69 Ų69122.4 Ų122.442%0.42373%0.727SS.*  178.2116.393.8-67.90000114.9N810T114-N810 PolarHBondContact O-ND2 2.77Å; T114-N810 PolarHBondContact O-OD1 3.34Å
115I28.9Very low28.6Very low142 Ų142125.1 Ų125.173%0.72873%0.73SS**  trans52.8136138.3-44.9173.2000123.8
116T29.9Very low29.1Very low118 Ų118125.6 Ų125.672%0.72472%0.724SS**  trans70.3146.2161350000120.6
117R27.3Very low30Very low221 Ų221127.1 Ų127.183%0.83472%0.721SS**  cis-135.4170.23.5-110.3-175.1-169.4-179.72.7111.6
118L27.3Very low31Very low162 Ų162122.5 Ų122.585%0.84870%0.702SS**  trans-17.3154.7160.3-56.1160.6000117.6
119S25.4Very low32.1Very low98 Ų98122.4 Ų122.469%0.68570%0.701SS**  cis-158.5156.429.655.50000116.7
120S25.3Very low33.5Very low108 Ų108125.6 Ų125.676%0.75570%0.7SS**  trans45.286.9144.3630000121.4
121S29.6Very low35.2Very low117 Ų117121.4 Ų121.482%0.81868%0.676SS**  trans-175.968.8144.137.20000112.2
122S28.8Very low37Very low82 Ų82119.2 Ų119.257%0.57365%0.654SS**  trans-159.294.9178.1-82.90000114.1
123S30.6Very low39.1Very low111 Ų111117.5 Ų117.578%0.77664%0.643SS**SBendtrans-92.2-31.4164.651.80000112.5
124T41.3Very low40.7Very low116 Ų116116.8 Ų116.871%0.71263%0.632SS**SBendtrans-80.4-39.9-178.230.90000114.1L126T124-L126 VanDerWaalsContact C-N 3.34Å; T124-L126 PolarHBondContact O-N 3.03Å
125Y35.6Very low42.7Very low173 Ų173121.3 Ų121.368%0.67864%0.642SS**Hα-helixtrans-71-24.7-175.5-114.7-89.8000114.6H127Y125-H127 VanDerWaalsContact C-N 3.33Å; Y125-H127 PolarHBondContact O-N 2.92Å
126L37.2Very low44.9Very low124 Ų124120.9 Ų120.965%0.64964%0.638SS**Hα-helixtrans-72.5-27.9-176.1-142.1162.1000111.9T124 R130T124-L126 VanDerWaalsContact C-N 3.34Å; T124-L126 PolarHBondContact O-N 3.03Å; L126-R130 PolarHBondContact O-N 2.79Å
127H46.2Very low47Very low125 Ų125122.2 Ų122.258%0.57963%0.634SS**Hα-helixtrans-69.7-44.8177.9-142.3-94000111.8Y125 C129 R130 E131Y125-H127 VanDerWaalsContact C-N 3.33Å; Y125-H127 PolarHBondContact O-N 2.92Å; H127-C129 PolarHBondContact O-N 2.88Å; H127-R130 WeakPolarHBondContact O-CB 3.4Å; H127-R130 PolarHBondContact O-N 3.3Å; H127-R130 VanDerWaalsContact O-N 3.12Å; H127-E131 PolarHBondContact O-N 3Å
128Q44.9Very low49.4Very low107 Ų107116.3 Ų116.350%0.562%0.618SS.*Hα-helixtrans-63.2-42.2-177.8-16464.418.400112.6R130 E131 N132Q128-R130 VanDerWaalsContact C-N 3.31Å; Q128-R130 PolarHBondContact O-N 3.49Å; Q128-E131 PolarHBondContact O-N 2.58Å; Q128-N132 WeakPolarHBondContact O-CB 3.25Å; Q128-N132 PolarHBondContact O-N 3.25Å
129C46.5Very low51.6Low83 Ų83113.2 Ų113.256%0.56160%0.602SS**Hα-helixtrans-64.2-35.6175-74.30000112.5H127 C133H127-C129 PolarHBondContact O-N 2.88Å; C129-C133 VanDerWaalsContact O-CB 3.24Å; C129-C133 WeakPolarHBondContact O-CB 3.23Å; C129-C133 PolarHBondContact O-N 3.22Å
130R55.1Low54.2Low173 Ų173115.3 Ų115.365%0.65360%0.599SS**Hα-helixtrans-69.7-43.7176.8-161.3178.7-167.6-178.45.2111.6L126 H127 Q128 C133 I134L126-R130 PolarHBondContact O-N 2.79Å; H127-R130 WeakPolarHBondContact O-CB 3.4Å; H127-R130 PolarHBondContact O-N 3.3Å; H127-R130 VanDerWaalsContact O-N 3.12Å; Q128-R130 VanDerWaalsContact C-N 3.31Å; Q128-R130 PolarHBondContact O-N 3.49Å; R130-C133 PolarHBondContact O-N 3.37Å; R130-I134 HydrophobicContact CG-CD1 4.38Å; R130-I134 VanDerWaalsContact O-CG1 3.29Å; R130-I134 WeakPolarHBondContact O-CG1 3.48Å; R130-I134 PolarHBondContact O-N 3.3Å
131E59.2Low56.7Low70 Ų70114.3 Ų114.333%0.32759%0.585SS.*Hα-helixtrans-64.8-45.4176.6-169.4112.4-126.800111.5K86 H127 Q128 C133 I134 R135K86-E131 IonicContact NZ-OE1 2.6Å; K86-E131 PolarHBondContact NZ-OE1 3.02Å; H127-E131 PolarHBondContact O-N 3Å; Q128-E131 PolarHBondContact O-N 2.58Å; E131-C133 PolarHBondContact O-N 3.01Å; E131-I134 PolarHBondContact O-N 2.95Å; E131-R135 WeakPolarHBondContact O-CB 3.37Å; E131-R135 PolarHBondContact O-N 3.11Å
132N67.9Low59.1Low76 Ų76110.8 Ų110.841%0.40656%0.558SS.*Hα-helixtrans-62.6-39.1175.4-79.3-16.7000112.6Q128 R135 M136Q128-N132 WeakPolarHBondContact O-CB 3.25Å; Q128-N132 PolarHBondContact O-N 3.25Å; N132-R135 PolarHBondContact O-N 2.98Å; N132-M136 WeakPolarHBondContact O-CB 3.39Å; N132-M136 WeakPolarHBondContact O-CG 3.41Å; N132-M136 PolarHBondContact O-N 3.35Å
133C67.4Low61.3Low88 Ų88112.7 Ų112.760%0.59556%0.558SS**Hα-helixtrans-66.2-39.7175.5-1710000112C129 R130 E131 K137C129-C133 VanDerWaalsContact O-CB 3.24Å; C129-C133 WeakPolarHBondContact O-CB 3.23Å; C129-C133 PolarHBondContact O-N 3.22Å; R130-C133 PolarHBondContact O-N 3.37Å; E131-C133 PolarHBondContact O-N 3.01Å; C133-K137 WeakPolarHBondContact O-CB 3.38Å; C133-K137 PolarHBondContact O-N 2.73Å
134I72.8Confident63.6Low89 Ų89111.7 Ų111.746%0.45654%0.544SS..Hα-helixtrans-63.8-45.2172-70.1164.8000110.7R130 E131 M136 K137 I138R130-I134 HydrophobicContact CG-CD1 4.38Å; R130-I134 VanDerWaalsContact O-CG1 3.29Å; R130-I134 WeakPolarHBondContact O-CG1 3.48Å; R130-I134 PolarHBondContact O-N 3.3Å; E131-I134 PolarHBondContact O-N 2.95Å; I134-M136 PolarHBondContact O-N 2.7Å; I134-K137 PolarHBondContact O-N 2.83Å; I134-I138 HydrophobicContact CG2-CD1 3.73Å; I134-I138 HydrophobicContact CG2-CG1 4.4Å; I134-I138 WeakPolarHBondContact O-CG1 3.46Å; I134-I138 PolarHBondContact O-N 3.27Å
135R70.1Confident65.3Low165 Ų165112.9 Ų112.962%0.62354%0.542SS*.Hα-helixtrans-59.9-45.9178.2-171.2173-178.9141.1-2.6111.8E131 N132 K137 I138 L139E131-R135 WeakPolarHBondContact O-CB 3.37Å; E131-R135 PolarHBondContact O-N 3.11Å; N132-R135 PolarHBondContact O-N 2.98Å; R135-K137 VanDerWaalsContact C-N 3.34Å; R135-K137 PolarHBondContact O-N 2.77Å; R135-I138 PolarHBondContact O-N 2.72Å; R135-L139 HydrophobicContact CG-CD1 4.33Å; R135-L139 WeakPolarHBondContact O-CB 3.46Å; R135-L139 VanDerWaalsContact O-CG 3.31Å; R135-L139 WeakPolarHBondContact O-CG 3.5Å; R135-L139 PolarHBondContact O-N 3.31Å
136M73.8Confident67.3Low133 Ų133111 Ų11166%0.65554%0.539SS*.Hα-helixtrans-63.3-37.4174.6-76.1-66-79.200112.6N132 I134 L139 K140N132-M136 WeakPolarHBondContact O-CB 3.39Å; N132-M136 WeakPolarHBondContact O-CG 3.41Å; N132-M136 PolarHBondContact O-N 3.35Å; I134-M136 PolarHBondContact O-N 2.7Å; M136-L139 HydrophobicContact SD-CD1 4.45Å; M136-K140 WeakPolarHBondContact O-CB 3.45Å; M136-K140 PolarHBondContact O-N 3.09Å
137K74.1Confident69.5Low145 Ų145109.8 Ų109.863%0.6353%0.533SS*.Hα-helixtrans-68-43.5176.3-165.5164.2-173.2170.10112C133 I134 R135 K140 D141C133-K137 WeakPolarHBondContact O-CB 3.38Å; C133-K137 PolarHBondContact O-N 2.73Å; I134-K137 PolarHBondContact O-N 2.83Å; R135-K137 VanDerWaalsContact C-N 3.34Å; R135-K137 PolarHBondContact O-N 2.77Å; K137-K140 PolarHBondContact O-N 3.22Å; K137-D141 WeakPolarHBondContact O-CB 3.37Å; K137-D141 PolarHBondContact O-N 3.21Å
138I77.4Confident71.2Confident97 Ų97109.9 Ų109.950%0.49753%0.532SS..Hα-helixtrans-60.5-45.8174-68.8167.6000110.8I134 R135 K140 D141 V142I134-I138 HydrophobicContact CG2-CD1 3.73Å; I134-I138 HydrophobicContact CG2-CG1 4.4Å; I134-I138 WeakPolarHBondContact O-CG1 3.46Å; I134-I138 PolarHBondContact O-N 3.27Å; R135-I138 PolarHBondContact O-N 2.72Å; I138-K140 PolarHBondContact O-N 3.07Å; I138-D141 PolarHBondContact O-N 3.5Å; I138-V142 HydrophobicContact CG2-CG2 4.39Å; I138-V142 WeakPolarHBondContact O-CB 3.43Å; I138-V142 VanDerWaalsContact O-CG2 3.3Å; I138-V142 WeakPolarHBondContact O-CG2 3.46Å; I138-V142 PolarHBondContact O-N 3.26Å
139L75Confident72.7Confident97 Ų97109 Ų10951%0.50853%0.53SS..Hα-helixtrans-59.9-44.5176.8-74.5167.2000111.9R135 M136 V142 Q143R135-L139 HydrophobicContact CG-CD1 4.33Å; R135-L139 WeakPolarHBondContact O-CB 3.46Å; R135-L139 VanDerWaalsContact O-CG 3.31Å; R135-L139 WeakPolarHBondContact O-CG 3.5Å; R135-L139 PolarHBondContact O-N 3.31Å; M136-L139 HydrophobicContact SD-CD1 4.45Å; L139-V142 PolarHBondContact O-N 3.21Å; L139-Q143 WeakPolarHBondContact O-CB 3.42Å; L139-Q143 PolarHBondContact O-N 3.46Å
140K78.5Confident74.2Confident142 Ų142108.4 Ų108.462%0.61753%0.527SS*.Hα-helixtrans-66.3-38.4178.3-163.1165.8-172.8170.40112.4M136 K137 I138 Q143 N144M136-K140 WeakPolarHBondContact O-CB 3.45Å; M136-K140 PolarHBondContact O-N 3.09Å; K137-K140 PolarHBondContact O-N 3.22Å; I138-K140 PolarHBondContact O-N 3.07Å; K140-Q143 PolarHBondContact O-N 3.46Å; K140-N144 WeakPolarHBondContact O-CB 3.47Å; K140-N144 VanDerWaalsContact O-CG 3.26Å; K140-N144 PolarHBondContact O-N 3.31Å; K140-N144 PolarHBondContact O-ND2 3.47Å
141D79Confident75.5Confident88 Ų88107 Ų10747%0.47153%0.528SS..Hα-helixtrans-68.6-38.5174.4-76.3-23000112.2K137 I138 N144 Q145K137-D141 WeakPolarHBondContact O-CB 3.37Å; K137-D141 PolarHBondContact O-N 3.21Å; I138-D141 PolarHBondContact O-N 3.5Å; D141-N144 PolarHBondContact O-N 3.38Å; D141-Q145 WeakPolarHBondContact O-CB 3.43Å; D141-Q145 WeakPolarHBondContact O-CG 3.46Å; D141-Q145 PolarHBondContact O-N 3.3Å
142V79Confident76.5Confident42 Ų42108 Ų10826%0.25553%0.533SS..Hα-helixtrans-64-43.3172.9168.30000111.3I138 L139 Q145 Q146I138-V142 HydrophobicContact CG2-CG2 4.39Å; I138-V142 WeakPolarHBondContact O-CB 3.43Å; I138-V142 VanDerWaalsContact O-CG2 3.3Å; I138-V142 WeakPolarHBondContact O-CG2 3.46Å; I138-V142 PolarHBondContact O-N 3.26Å; L139-V142 PolarHBondContact O-N 3.21Å; V142-Q145 WeakPolarHBondContact O-CB 3.31Å; V142-Q145 PolarHBondContact O-N 3.05Å; V142-Q146 WeakPolarHBondContact O-CB 3.28Å; V142-Q146 PolarHBondContact O-N 3.29Å
143Q75.3Confident77.1Confident123 Ų123107 Ų10758%0.57553%0.529SS*.Hα-helixtrans-66.2-39.7177.8-163.7172.313.500111.6L139 K140 Q146 N147L139-Q143 WeakPolarHBondContact O-CB 3.42Å; L139-Q143 PolarHBondContact O-N 3.46Å; K140-Q143 PolarHBondContact O-N 3.46Å; Q143-Q146 PolarHBondContact O-N 3.32Å; Q143-N147 PolarHBondContact O-N 2.95Å
144N79.8Confident77.5Confident89 Ų89105.8 Ų105.848%0.47652%0.521SS..Hα-helixtrans-62.1-41.6171-76.9-27.3000112.4K140 D141 K148K140-N144 WeakPolarHBondContact O-CB 3.47Å; K140-N144 VanDerWaalsContact O-CG 3.26Å; K140-N144 PolarHBondContact O-N 3.31Å; K140-N144 PolarHBondContact O-ND2 3.47Å; D141-N144 PolarHBondContact O-N 3.38Å; N144-K148 WeakPolarHBondContact O-CB 3.41Å; N144-K148 PolarHBondContact O-N 2.86Å
145Q76.7Confident77.9Confident142 Ų142107.6 Ų107.666%0.66453%0.528SS*.Hα-helixtrans-62.8-40.7174-67.8-111-25.100111.7D141 V142 K148 L149D141-Q145 WeakPolarHBondContact O-CB 3.43Å; D141-Q145 WeakPolarHBondContact O-CG 3.46Å; D141-Q145 PolarHBondContact O-N 3.3Å; V142-Q145 WeakPolarHBondContact O-CB 3.31Å; V142-Q145 PolarHBondContact O-N 3.05Å; Q145-K148 PolarHBondContact O-N 3.42Å; Q145-L149 VanDerWaalsContact O-CB 3.32Å; Q145-L149 WeakPolarHBondContact O-CB 3.46Å; Q145-L149 PolarHBondContact O-N 2.9Å
146Q78.5Confident78.3Confident133 Ų133103.7 Ų103.762%0.62152%0.519SS*.Hα-helixtrans-67.4-42.6178.9-176.4165.4-24.600112V142 Q143 L149 S150V142-Q146 WeakPolarHBondContact O-CB 3.28Å; V142-Q146 PolarHBondContact O-N 3.29Å; Q143-Q146 PolarHBondContact O-N 3.32Å; Q146-L149 PolarHBondContact O-N 3.17Å; Q146-S150 WeakPolarHBondContact O-CB 3.38Å; Q146-S150 PolarHBondContact O-N 2.92Å
147N82.4Confident78.7Confident99 Ų99104.2 Ų104.253%0.52952%0.517SS..Hα-helixtrans-61.5-46.3173.6-72.3-13.3000111.3Q143 L149 S150 Q151Q143-N147 PolarHBondContact O-N 2.95Å; N147-L149 PolarHBondContact O-N 3.09Å; N147-S150 WeakPolarHBondContact O-CB 3.27Å; N147-S150 PolarHBondContact O-N 2.68Å; N147-Q151 PolarHBondContact O-N 3.32Å
148K81.2Confident79Confident127 Ų127102.5 Ų102.555%0.55251%0.512SS*.Hα-helixtrans-62.4-41.9176.3-177167.4-178.9167.70112.6N144 Q145 S150 Q151 E152N144-K148 WeakPolarHBondContact O-CB 3.41Å; N144-K148 PolarHBondContact O-N 2.86Å; Q145-K148 PolarHBondContact O-N 3.42Å; K148-S150 VanDerWaalsContact C-N 3.3Å; K148-S150 PolarHBondContact O-N 3.44Å; K148-Q151 WeakPolarHBondContact O-CB 3.5Å; K148-Q151 PolarHBondContact O-N 2.83Å; K148-E152 WeakPolarHBondContact CE-OE1 3.38Å; K148-E152 WeakPolarHBondContact O-CG 3.43Å; K148-E152 PolarHBondContact O-N 3.22Å
149L78.1Confident79.1Confident87 Ų87102.4 Ų102.446%0.45551%0.509SS..Hα-helixtrans-64-36175.7-172.167.8000111.6Q145 Q146 N147 E152 V153Q145-L149 VanDerWaalsContact O-CB 3.32Å; Q145-L149 WeakPolarHBondContact O-CB 3.46Å; Q145-L149 PolarHBondContact O-N 2.9Å; Q146-L149 PolarHBondContact O-N 3.17Å; N147-L149 PolarHBondContact O-N 3.09Å; L149-E152 PolarHBondContact O-N 3.18Å; L149-V153 WeakPolarHBondContact O-CB 3.06Å; L149-V153 VanDerWaalsContact O-CG2 3.24Å; L149-V153 WeakPolarHBondContact O-CG2 3.22Å; L149-V153 PolarHBondContact O-N 3.45Å
150S76.6Confident79.4Confident72 Ų72102.5 Ų102.550%0.50351%0.506SS..Hα-helixtrans-64.5-41.2173.5-166.20000112Q146 N147 K148 V153 S154Q146-S150 WeakPolarHBondContact O-CB 3.38Å; Q146-S150 PolarHBondContact O-N 2.92Å; N147-S150 WeakPolarHBondContact O-CB 3.27Å; N147-S150 PolarHBondContact O-N 2.68Å; K148-S150 VanDerWaalsContact C-N 3.3Å; K148-S150 PolarHBondContact O-N 3.44Å; S150-V153 PolarHBondContact O-N 3.13Å; S150-S154 WeakPolarHBondContact O-CB 3.45Å; S150-S154 PolarHBondContact O-N 2.82Å; S150-S154 PolarHBondContact O-OG 2.78Å
151Q82.2Confident79.5Confident143 Ų143100.7 Ų100.767%0.66850%0.502SS*.Hα-helixtrans-64.4-46.9174.5-165.5-178.620.400111.7N147 K148 V153 S154 Q155N147-Q151 PolarHBondContact O-N 3.32Å; K148-Q151 WeakPolarHBondContact O-CB 3.5Å; K148-Q151 PolarHBondContact O-N 2.83Å; Q151-V153 PolarHBondContact O-N 3.44Å; Q151-S154 PolarHBondContact O-N 3.43Å; Q151-S154 VanDerWaalsContact O-N 3.16Å; Q151-Q155 PolarHBondContact O-N 3.39Å
152E81.9Confident79.6Confident92 Ų92101.4 Ų101.443%0.4350%0.503SS..Hα-helixtrans-62.7-39.2176.1-73-179.7-162.500112.2K148 L149 S154 L156K148-E152 WeakPolarHBondContact CE-OE1 3.38Å; K148-E152 WeakPolarHBondContact O-CG 3.43Å; K148-E152 PolarHBondContact O-N 3.22Å; L149-E152 PolarHBondContact O-N 3.18Å; E152-S154 VanDerWaalsContact C-N 3.34Å; E152-L156 WeakPolarHBondContact O-CB 3.2Å; E152-L156 WeakPolarHBondContact O-CG 3.42Å; E152-L156 PolarHBondContact O-N 3.02Å
153V80Confident79.8Confident55 Ų55103.9 Ų103.933%0.33351%0.514SS..Hα-helixtrans-65.2-37.6173.3165.50000111.6L149 S150 Q151 L156 K157L149-V153 WeakPolarHBondContact O-CB 3.06Å; L149-V153 VanDerWaalsContact O-CG2 3.24Å; L149-V153 WeakPolarHBondContact O-CG2 3.22Å; L149-V153 PolarHBondContact O-N 3.45Å; S150-V153 PolarHBondContact O-N 3.13Å; Q151-V153 PolarHBondContact O-N 3.44Å; V153-L156 PolarHBondContact O-N 3.35Å; V153-K157 WeakPolarHBondContact O-CG 3.31Å; V153-K157 PolarHBondContact O-N 3.33Å
154S75.3Confident80Confident61 Ų61101.8 Ų101.843%0.42750%0.504SS..Hα-helixtrans-70.3-41.5177.9-58.90000111.6S150 Q151 E152 L156 K157 Q158S150-S154 WeakPolarHBondContact O-CB 3.45Å; S150-S154 PolarHBondContact O-N 2.82Å; S150-S154 PolarHBondContact O-OG 2.78Å; Q151-S154 PolarHBondContact O-N 3.43Å; Q151-S154 VanDerWaalsContact O-N 3.16Å; E152-S154 VanDerWaalsContact C-N 3.34Å; S154-L156 VanDerWaalsContact C-N 3.31Å; S154-L156 PolarHBondContact O-N 2.82Å; S154-K157 WeakPolarHBondContact O-CB 3.34Å; S154-K157 PolarHBondContact O-N 3.5Å; S154-K157 VanDerWaalsContact O-N 3.11Å; S154-Q158 PolarHBondContact O-N 2.79Å
155Q80.8Confident80.1Confident128 Ų128101.9 Ų101.960%0.59851%0.508SS*.Hα-helixtrans-63.4-36.4172-164.1174.743.800111.9Q151 K157 Q158 Q159Q151-Q155 PolarHBondContact O-N 3.39Å; Q155-K157 VanDerWaalsContact C-N 3.35Å; Q155-Q158 PolarHBondContact O-N 3.38Å; Q155-Q159 PolarHBondContact O-N 3.27Å
156L79.5Confident80.3Confident82 Ų8299.1 Ų99.143%0.42950%0.5SS..Hα-helixtrans-69.8-25.2172.3-85.4165.8000114.2E152 V153 S154 F160E152-L156 WeakPolarHBondContact O-CB 3.2Å; E152-L156 WeakPolarHBondContact O-CG 3.42Å; E152-L156 PolarHBondContact O-N 3.02Å; V153-L156 PolarHBondContact O-N 3.35Å; S154-L156 VanDerWaalsContact C-N 3.31Å; S154-L156 PolarHBondContact O-N 2.82Å; L156-F160 WeakPolarHBondContact O-CB 3.34Å; L156-F160 PolarHBondContact O-N 3.16Å
157K81.1Confident80.4Confident144 Ų14496.9 Ų96.963%0.62649%0.492SS*.Hα-helixtrans-71-47.4167.7-74.1176.2178.6179.50110.2V153 S154 Q155 Q159 F160 L161V153-K157 WeakPolarHBondContact O-CG 3.31Å; V153-K157 PolarHBondContact O-N 3.33Å; S154-K157 WeakPolarHBondContact O-CB 3.34Å; S154-K157 PolarHBondContact O-N 3.5Å; S154-K157 VanDerWaalsContact O-N 3.11Å; Q155-K157 VanDerWaalsContact C-N 3.35Å; K157-Q159 PolarHBondContact O-N 2.87Å; K157-F160 WeakPolarHBondContact O-CB 3.38Å; K157-F160 PolarHBondContact O-N 2.92Å; K157-F160 VanDerWaalsContact O-N 3.07Å; K157-L161 PolarHBondContact O-N 3.41Å
158Q81.3Confident80.3Confident109 Ų10995.7 Ų95.751%0.50949%0.488SS..Hα-helixtrans-58.4-50.7178.9-16567.79.100111.5S154 Q155 F160 L161 E162S154-Q158 PolarHBondContact O-N 2.79Å; Q155-Q158 PolarHBondContact O-N 3.38Å; Q158-F160 VanDerWaalsContact C-N 3.26Å; Q158-F160 PolarHBondContact O-N 2.88Å; Q158-L161 WeakPolarHBondContact O-CA 3.46Å; Q158-L161 WeakPolarHBondContact O-CB 3.36Å; Q158-L161 PolarHBondContact O-N 2.79Å; Q158-E162 PolarHBondContact O-N 3.2Å
159Q79.7Confident80.1Confident95 Ų9592.4 Ų92.444%0.44448%0.481SS..Hα-helixtrans-62.3-29.9174.9-73.7-173.2-12.400113.3Q155 K157 I163Q155-Q159 PolarHBondContact O-N 3.27Å; K157-Q159 PolarHBondContact O-N 2.87Å; Q159-I163 WeakPolarHBondContact O-CB 3.48Å; Q159-I163 WeakPolarHBondContact O-CD1 3.31Å; Q159-I163 WeakPolarHBondContact O-CG1 3.49Å; Q159-I163 PolarHBondContact O-N 3.44Å
160F80.6Confident80.2Confident100 Ų10092.2 Ų92.244%0.43948%0.48SS..Hα-helixtrans-70.7-36.4173.2-174-102.7000111.6L156 K157 Q158 I163 Q164L156-F160 WeakPolarHBondContact O-CB 3.34Å; L156-F160 PolarHBondContact O-N 3.16Å; K157-F160 WeakPolarHBondContact O-CB 3.38Å; K157-F160 PolarHBondContact O-N 2.92Å; K157-F160 VanDerWaalsContact O-N 3.07Å; Q158-F160 VanDerWaalsContact C-N 3.26Å; Q158-F160 PolarHBondContact O-N 2.88Å; F160-I163 PolarHBondContact O-N 3.41Å; F160-Q164 HydrophobicContact CD1-CG 4.25Å; F160-Q164 HydrophobicContact CE1-CG 3.98Å; F160-Q164 HydrophobicContact CZ-CG 4.32Å; F160-Q164 VanDerWaalsContact CZ-NE2 3.28Å; F160-Q164 VanDerWaalsContact O-CG 3.31Å; F160-Q164 WeakPolarHBondContact O-CG 3.45Å; F160-Q164 PolarHBondContact O-N 3.07Å
161L80.2Confident80.2Confident104 Ų10494.5 Ų94.555%0.54548%0.483SS..Hα-helixtrans-69.2-42175.6-161.369.8000111.7K157 Q158 I163 Q164 T165K157-L161 PolarHBondContact O-N 3.41Å; Q158-L161 WeakPolarHBondContact O-CA 3.46Å; Q158-L161 WeakPolarHBondContact O-CB 3.36Å; Q158-L161 PolarHBondContact O-N 2.79Å; L161-I163 PolarHBondContact O-N 3.45Å; L161-Q164 PolarHBondContact O-N 2.83Å; L161-T165 PolarHBondContact O-N 3.23Å; L161-T165 PolarHBondContact O-OG1 3.45Å
162E82.5Confident79.9Confident103 Ų10391.7 Ų91.748%0.48147%0.472SS..Hα-helixtrans-57.5-46.8170.1-71.7166.5-159.800111.4Q158 Q164 T165 V166Q158-E162 PolarHBondContact O-N 3.2Å; E162-Q164 VanDerWaalsContact C-N 3.32Å; E162-Q164 PolarHBondContact O-N 3.36Å; E162-T165 PolarHBondContact O-N 3.03Å; E162-V166 WeakPolarHBondContact O-CB 2.98Å; E162-V166 WeakPolarHBondContact O-CG2 3.47Å; E162-V166 PolarHBondContact O-N 3.05Å
163I83.1Confident79.6Confident94 Ų9491.6 Ų91.648%0.48247%0.474SS..Hα-helixtrans-64.3-35.2177-72.1166.2000111.7Q159 F160 L161 L167Q159-I163 WeakPolarHBondContact O-CB 3.48Å; Q159-I163 WeakPolarHBondContact O-CD1 3.31Å; Q159-I163 WeakPolarHBondContact O-CG1 3.49Å; Q159-I163 PolarHBondContact O-N 3.44Å; F160-I163 PolarHBondContact O-N 3.41Å; L161-I163 PolarHBondContact O-N 3.45Å; I163-L167 HydrophobicContact CG2-CD1 4Å; I163-L167 HydrophobicContact CG2-CG 4.46Å; I163-L167 VanDerWaalsContact O-CB 3.31Å; I163-L167 WeakPolarHBondContact O-CB 3.34Å; I163-L167 VanDerWaalsContact O-CG 3.27Å; I163-L167 WeakPolarHBondContact O-CG 3.38Å; I163-L167 PolarHBondContact O-N 2.94Å
164Q77.7Confident79.2Confident79 Ų7993.6 Ų93.637%0.36948%0.482SS..Hα-helixtrans-66.3-43.8171.7-72.4-66.9-8.600111.5F160 L161 E162 V166 L167 V168F160-Q164 HydrophobicContact CD1-CG 4.25Å; F160-Q164 HydrophobicContact CE1-CG 3.98Å; F160-Q164 HydrophobicContact CZ-CG 4.32Å; F160-Q164 VanDerWaalsContact CZ-NE2 3.28Å; F160-Q164 VanDerWaalsContact O-CG 3.31Å; F160-Q164 WeakPolarHBondContact O-CG 3.45Å; F160-Q164 PolarHBondContact O-N 3.07Å; L161-Q164 PolarHBondContact O-N 2.83Å; E162-Q164 VanDerWaalsContact C-N 3.32Å; E162-Q164 PolarHBondContact O-N 3.36Å; Q164-V166 VanDerWaalsContact C-N 3.32Å; Q164-V166 PolarHBondContact O-N 3.42Å; Q164-L167 PolarHBondContact O-N 3.24Å; Q164-L167 VanDerWaalsContact O-N 3.15Å; Q164-V168 WeakPolarHBondContact O-CG2 3.42Å; Q164-V168 PolarHBondContact O-N 2.88Å
165T81.9Confident79.1Confident91 Ų9194.5 Ų94.556%0.55848%0.481SS*.Hα-helixtrans-62.7-40177.4-47.60000111.2L161 E162 S169L161-T165 PolarHBondContact O-N 3.23Å; L161-T165 PolarHBondContact O-OG1 3.45Å; E162-T165 PolarHBondContact O-N 3.03Å; T165-S169 VanDerWaalsContact O-CB 3.26Å; T165-S169 WeakPolarHBondContact O-CB 3.43Å; T165-S169 PolarHBondContact O-N 3.09Å
166V82.2Confident78.2Confident83 Ų8392.9 Ų92.950%0.50348%0.477SS..Hα-helixtrans-69-36.8173.5170.60000111.8E162 Q164 S169 I170E162-V166 WeakPolarHBondContact O-CB 2.98Å; E162-V166 WeakPolarHBondContact O-CG2 3.47Å; E162-V166 PolarHBondContact O-N 3.05Å; Q164-V166 VanDerWaalsContact C-N 3.32Å; Q164-V166 PolarHBondContact O-N 3.42Å; V166-S169 PolarHBondContact O-N 3.22Å; V166-I170 HydrophobicContact CG1-CD1 3.78Å; V166-I170 HydrophobicContact CG1-CG1 4.41Å; V166-I170 WeakPolarHBondContact O-CB 3.43Å; V166-I170 VanDerWaalsContact O-CG1 3.22Å; V166-I170 WeakPolarHBondContact O-CG1 3.21Å; V166-I170 PolarHBondContact O-N 2.89Å
167L80.2Confident77.1Confident87 Ų8796.6 Ų96.646%0.45549%0.485SS..Hα-helixtrans-67.5-42.1174.1-81.2168.3000112.2I163 Q164 S169 I170 Q171I163-L167 HydrophobicContact CG2-CD1 4Å; I163-L167 HydrophobicContact CG2-CG 4.46Å; I163-L167 VanDerWaalsContact O-CB 3.31Å; I163-L167 WeakPolarHBondContact O-CB 3.34Å; I163-L167 VanDerWaalsContact O-CG 3.27Å; I163-L167 WeakPolarHBondContact O-CG 3.38Å; I163-L167 PolarHBondContact O-N 2.94Å; Q164-L167 PolarHBondContact O-N 3.24Å; Q164-L167 VanDerWaalsContact O-N 3.15Å; L167-S169 VanDerWaalsContact C-N 3.35Å; L167-I170 PolarHBondContact O-N 3.24Å; L167-Q171 VanDerWaalsContact O-CB 3.25Å; L167-Q171 WeakPolarHBondContact O-CB 3.43Å; L167-Q171 PolarHBondContact O-N 3.19Å
168V80.2Confident75.7Confident73 Ų7395.3 Ų95.344%0.44248%0.484SS..Hα-helixtrans-64.8-39.8173.3171.80000110.6Q164 Q171 N172Q164-V168 WeakPolarHBondContact O-CG2 3.42Å; Q164-V168 PolarHBondContact O-N 2.88Å; V168-Q171 PolarHBondContact O-N 2.92Å; V168-N172 WeakPolarHBondContact O-CB 3.43Å; V168-N172 VanDerWaalsContact O-CG 3.24Å; V168-N172 PolarHBondContact O-N 2.88Å; V168-N172 PolarHBondContact O-OD1 3.14Å
169S77.2Confident74Confident58 Ų5896.7 Ų96.741%0.40649%0.49SS..Hα-helixtrans-63.4-45173-1770000112T165 V166 L167 Q171 N172 I173T165-S169 VanDerWaalsContact O-CB 3.26Å; T165-S169 WeakPolarHBondContact O-CB 3.43Å; T165-S169 PolarHBondContact O-N 3.09Å; V166-S169 PolarHBondContact O-N 3.22Å; L167-S169 VanDerWaalsContact C-N 3.35Å; S169-Q171 VanDerWaalsContact C-N 3.32Å; S169-Q171 PolarHBondContact O-N 2.79Å; S169-N172 PolarHBondContact O-N 3.28Å; S169-I173 WeakPolarHBondContact O-CB 3.48Å; S169-I173 WeakPolarHBondContact O-CD1 3.47Å; S169-I173 WeakPolarHBondContact O-CG1 3.47Å; S169-I173 PolarHBondContact O-N 3.34Å
170I81.3Confident72.2Confident84 Ų8498.4 Ų98.443%0.43150%0.501SS..Hα-helixtrans-63.6-37.7174.1-73166.9000111.3V166 L167 I173 L174V166-I170 HydrophobicContact CG1-CD1 3.78Å; V166-I170 HydrophobicContact CG1-CG1 4.41Å; V166-I170 WeakPolarHBondContact O-CB 3.43Å; V166-I170 VanDerWaalsContact O-CG1 3.22Å; V166-I170 WeakPolarHBondContact O-CG1 3.21Å; V166-I170 PolarHBondContact O-N 2.89Å; L167-I170 PolarHBondContact O-N 3.24Å; I170-I173 PolarHBondContact O-N 2.81Å; I170-L174 HydrophobicContact CG2-CD1 4Å; I170-L174 WeakPolarHBondContact O-CB 3.5Å; I170-L174 WeakPolarHBondContact O-CG 3.42Å; I170-L174 PolarHBondContact O-N 3.22Å
171Q76.6Confident70.1Confident120 Ų120101.5 Ų101.556%0.56152%0.517SS*.Hα-helixtrans-67.7-41.5176.1-176.2167.4-23.500111.1L167 V168 S169 L174 I175L167-Q171 VanDerWaalsContact O-CB 3.25Å; L167-Q171 WeakPolarHBondContact O-CB 3.43Å; L167-Q171 PolarHBondContact O-N 3.19Å; V168-Q171 PolarHBondContact O-N 2.92Å; S169-Q171 VanDerWaalsContact C-N 3.32Å; S169-Q171 PolarHBondContact O-N 2.79Å; Q171-L174 PolarHBondContact O-N 3.25Å; Q171-I175 HydrophobicContact CG-CD1 4Å; Q171-I175 WeakPolarHBondContact O-CB 3.41Å; Q171-I175 VanDerWaalsContact O-CG1 3.24Å; Q171-I175 WeakPolarHBondContact O-CG1 3.34Å; Q171-I175 PolarHBondContact O-N 3.13Å
172N74.2Confident68Low83 Ų83100.9 Ų100.944%0.44452%0.521SS..Hα-helixtrans-67.7-36.2173.2-70.2-6.8000111.9V168 S169 L174 I175 N176V168-N172 WeakPolarHBondContact O-CB 3.43Å; V168-N172 VanDerWaalsContact O-CG 3.24Å; V168-N172 PolarHBondContact O-N 2.88Å; V168-N172 PolarHBondContact O-OD1 3.14Å; S169-N172 PolarHBondContact O-N 3.28Å; N172-L174 VanDerWaalsContact C-N 3.34Å; N172-I175 PolarHBondContact O-N 3.25Å; N172-N176 WeakPolarHBondContact O-CB 3.36Å; N172-N176 PolarHBondContact O-N 3.41Å; N172-N176 PolarHBondContact O-ND2 3.41Å; N172-N176 PolarHBondContact O-OD1 3.24Å
173I76.7Confident65.4Low90 Ų9099.8 Ų99.846%0.46253%0.525SS..Hα-helixtrans-68.6-32.7172.8-70.5163.3000111.2S169 I170 R177S169-I173 WeakPolarHBondContact O-CB 3.48Å; S169-I173 WeakPolarHBondContact O-CD1 3.47Å; S169-I173 WeakPolarHBondContact O-CG1 3.47Å; S169-I173 PolarHBondContact O-N 3.34Å; I170-I173 PolarHBondContact O-N 2.81Å; I173-R177 VanDerWaalsContact O-CB 3.25Å; I173-R177 WeakPolarHBondContact O-CB 3.43Å; I173-R177 WeakPolarHBondContact O-CG 3.43Å; I173-R177 PolarHBondContact O-N 2.93Å
174L70.5Confident62.7Low98 Ų98101.7 Ų101.751%0.51355%0.545SS..Hα-helixtrans-73.5-43.1173.1-84.1164.6000112I170 Q171 N172 R177 I178I170-L174 HydrophobicContact CG2-CD1 4Å; I170-L174 WeakPolarHBondContact O-CB 3.5Å; I170-L174 WeakPolarHBondContact O-CG 3.42Å; I170-L174 PolarHBondContact O-N 3.22Å; Q171-L174 PolarHBondContact O-N 3.25Å; N172-L174 VanDerWaalsContact C-N 3.34Å; L174-R177 CarbonylContact O-C 3.59Å; L174-R177 PolarHBondContact O-N 2.83Å; L174-I178 WeakPolarHBondContact O-CB 3.2Å; L174-I178 VanDerWaalsContact O-CG1 3.26Å; L174-I178 WeakPolarHBondContact O-CG1 3.49Å; L174-I178 PolarHBondContact O-N 2.88Å
175I74.1Confident60.6Low79 Ų79104 Ų10441%0.40557%0.565SS.*Hα-helixtrans-59.5-49172.5-71.5163000109.6Q171 N172 R177 I178 H179Q171-I175 HydrophobicContact CG-CD1 4Å; Q171-I175 WeakPolarHBondContact O-CB 3.41Å; Q171-I175 VanDerWaalsContact O-CG1 3.24Å; Q171-I175 WeakPolarHBondContact O-CG1 3.34Å; Q171-I175 PolarHBondContact O-N 3.13Å; N172-I175 PolarHBondContact O-N 3.25Å; I175-R177 VanDerWaalsContact C-N 3.32Å; I175-R177 PolarHBondContact O-N 3.23Å; I175-I178 PolarHBondContact O-N 3Å; I175-H179 PolarHBondContact O-N 3.39Å
176N61.5Low58.3Low94 Ų94106.6 Ų106.650%0.50358%0.581SS.*Hα-helixtrans-65.7-31.2176.5-68.9-6.8000112.4N172 H179 L180N172-N176 WeakPolarHBondContact O-CB 3.36Å; N172-N176 PolarHBondContact O-N 3.41Å; N172-N176 PolarHBondContact O-ND2 3.41Å; N172-N176 PolarHBondContact O-OD1 3.24Å; N176-H179 PolarHBondContact O-N 2.98Å; N176-L180 VanDerWaalsContact O-CB 3.22Å; N176-L180 WeakPolarHBondContact O-CB 3.47Å; N176-L180 WeakPolarHBondContact O-CD1 3.27Å; N176-L180 WeakPolarHBondContact O-CG 3.22Å; N176-L180 PolarHBondContact O-N 2.79Å
177R55.9Low55.9Low161 Ų161108.6 Ų108.661%0.60859%0.593SS**Hα-helixtrans-73-34.3171.3-90.6-172.9163.9171.3-4113.4I173 L174 I175 H179 L180 Q181I173-R177 VanDerWaalsContact O-CB 3.25Å; I173-R177 WeakPolarHBondContact O-CB 3.43Å; I173-R177 WeakPolarHBondContact O-CG 3.43Å; I173-R177 PolarHBondContact O-N 2.93Å; L174-R177 CarbonylContact O-C 3.59Å; L174-R177 PolarHBondContact O-N 2.83Å; I175-R177 VanDerWaalsContact C-N 3.32Å; I175-R177 PolarHBondContact O-N 3.23Å; R177-H179 VanDerWaalsContact C-N 3.31Å; R177-L180 PolarHBondContact O-N 2.81Å; R177-Q181 VanDerWaalsContact O-CB 3.31Å; R177-Q181 WeakPolarHBondContact O-CB 3.22Å; R177-Q181 WeakPolarHBondContact O-CG 3.49Å; R177-Q181 PolarHBondContact O-N 2.98Å
178I53Low53.6Low116 Ų116110.4 Ų110.460%0.59561%0.609SS**Hα-helixtrans-66.8-39172.3-69.8162.3000109.2L174 I175 S182L174-I178 WeakPolarHBondContact O-CB 3.2Å; L174-I178 VanDerWaalsContact O-CG1 3.26Å; L174-I178 WeakPolarHBondContact O-CG1 3.49Å; L174-I178 PolarHBondContact O-N 2.88Å; I175-I178 PolarHBondContact O-N 3Å; I178-S182 PolarHBondContact O-N 2.81Å; I178-S182 PolarHBondContact O-OG 3.1Å
179H44.5Very low51.4Low138 Ų138112 Ų11264%0.63962%0.622SS**Hα-helixtrans-64.9-40.3170.3-112.2-74.4000113.5I175 N176 R177 S182I175-H179 PolarHBondContact O-N 3.39Å; N176-H179 PolarHBondContact O-N 2.98Å; R177-H179 VanDerWaalsContact C-N 3.31Å; H179-S182 WeakPolarHBondContact O-CB 3.28Å; H179-S182 PolarHBondContact O-N 3.49Å
180L41.4Very low49.3Very low132 Ų132113.1 Ų113.169%0.69163%0.63SS**Hα-helixtrans-85.8-13.4-177.8-72.3166.5000114.7N176 R177 S182N176-L180 VanDerWaalsContact O-CB 3.22Å; N176-L180 WeakPolarHBondContact O-CB 3.47Å; N176-L180 WeakPolarHBondContact O-CD1 3.27Å; N176-L180 WeakPolarHBondContact O-CG 3.22Å; N176-L180 PolarHBondContact O-N 2.79Å; R177-L180 PolarHBondContact O-N 2.81Å; L180-S182 VanDerWaalsContact C-N 3.33Å
181Q38.1Very low47Very low164 Ų164115.2 Ų115.277%0.76665%0.647SS**THydrogen-bonded Turntrans-93.35.5165.6-65.7-167-99.100112.3R177 S183R177-Q181 VanDerWaalsContact O-CB 3.31Å; R177-Q181 WeakPolarHBondContact O-CB 3.22Å; R177-Q181 WeakPolarHBondContact O-CG 3.49Å; R177-Q181 PolarHBondContact O-N 2.98Å; Q181-S183 VanDerWaalsContact C-N 3.33Å
182S35.8Very low44.7Very low91 Ų91119.6 Ų119.664%0.63666%0.66SS**SBendtrans-97.628.4168.3-57.10000111.6I178 H179 L180I178-S182 PolarHBondContact O-N 2.81Å; I178-S182 PolarHBondContact O-OG 3.1Å; H179-S182 WeakPolarHBondContact O-CB 3.28Å; H179-S182 PolarHBondContact O-N 3.49Å; L180-S182 VanDerWaalsContact C-N 3.33Å
183S27.4Very low43Very low80 Ų80121 Ų12156%0.55967%0.674SS**SBendtrans-148.9147.6-177.2-63.70000110.9Q181Q181-S183 VanDerWaalsContact C-N 3.33Å
184C25.9Very low40.8Very low134 Ų134125.3 Ų125.391%0.90569%0.692SS**  trans70.865.5179.6-580000117
185T33.6Very low39.1Very low127 Ų127126 Ų12678%0.77970%0.703SS**  trans-126.3139143.549.90000110.2
186T34Very low37Very low147 Ų147130.6 Ų130.690%0.90273%0.727SS**  trans60.2130.5173.7410000118.3
187T31.8Very low35.6Very low124 Ų124134.2 Ų134.276%0.76175%0.746SS**  trans-78.8144.9178.142.90000112.8
188T32.7Very low34.4Very low126 Ų126131.3 Ų131.377%0.77375%0.751SS**  trans39.6132.6143.457.50000121.4
189S33.1Very low33.3Very low105 Ų105130.9 Ų130.973%0.73476%0.758SS**  cis-179.4127.3-20.234.60000111.1
190S32.7Very low32.5Very low82 Ų82130.6 Ų130.657%0.57376%0.76SS**  trans-171.8138.4130.122.90000112.3
191T34.5Very low31.9Very low128 Ų128134.5 Ų134.579%0.78577%0.767SS**  trans26.9106.4159.7-41.40000120.9
192Y28.4Very low31.2Very low213 Ų213134.1 Ų134.184%0.83577%0.769SS**  trans-67.9158.6165-94.5-88.6000112.7
193P37.3Very low30.7Very low113 Ų113140.2 Ų140.273%0.73478%0.78SS**  -152.216368.441.6-21.2000120.8
194H31.1Very low30.8Very low179 Ų179142 Ų14283%0.82978%0.783SS**  trans59.9120.7159.8-73.7-63.4000121.9
195P34.7Very low30.9Very low114 Ų114141.1 Ų141.174%0.7477%0.769SS**  trans-99.5142.2168.736.9-30.8000113.6
196L30.1Very low30.8Very low174 Ų174143.2 Ų143.291%0.91177%0.768SS**  trans-140.9117.6156.3-83.2176.6000108.9
197N32.3Very low30.8Very low171 Ų171143.1 Ų143.191%0.91476%0.762SS**  trans-158.8147150.6-137.3-30.1000112
198S29.2Very low30.8Very low100 Ų100144.4 Ų144.470%0.69976%0.764SS**  trans-144.7114.2-171.757.80000113
199S30.7Very low30.6Very low107 Ų107146.8 Ų146.875%0.74877%0.768SS**  trans-164.2122.9152.3-83.30000107.4
200I28.6Very low30.8Very low132 Ų132146.5 Ų146.568%0.67776%0.764SS**  65116.274-59.4162.8000108.7
201Y27.3Very low30.6Very low214 Ų214149.3 Ų149.384%0.83977%0.771SS**  cis-125137.541.4-82.1-89.3000117.4
202L23.9Very low30.4Very low156 Ų156151.7 Ų151.782%0.81777%0.771SS**  trans-93.7148.7135.9-82.1163.5000107.9
203Y26Very low30.4Very low219 Ų219146.1 Ų146.186%0.85976%0.763SS**  trans-146.2161144.2-136-93.2000112.4
204N28.8Very low30.6Very low117 Ų117146.2 Ų146.263%0.62676%0.764SS**  trans-150.4138.6-151.2-159.1-17.9000111.9
205N27.6Very low30.7Very low116 Ų116142.9 Ų142.962%0.6276%0.756SS**  trans57.6124.5164-95.9-94.4000120.9
206K32.1Very low30.6Very low171 Ų171143.7 Ų143.774%0.74376%0.759SS**  trans73.1114.2144.5-62.9164.4-178.4161.70120.8
207N33.6Very low31.2Very low145 Ų145140.9 Ų140.978%0.77575%0.751SS**  17.5131.3125.6-53.849.3000118.3
208N32.3Very low31.1Very low151 Ų151140.1 Ų140.181%0.80775%0.746SS**  cis-155165.25.3-96.95.9000110.7
209M29.3Very low31.3Very low175 Ų175141.7 Ų141.786%0.86275%0.745SS**  trans-60.1173.3172.4-75.9-68.3-172.500115.9
210P35.7Very low31.3Very low100 Ų100142.8 Ų142.865%0.64974%0.743SS**  cis-138171.9-8.327.7-4000117.7
211I28.2Very low31.3Very low140 Ų140142.1 Ų142.172%0.71875%0.745SS**  trans48.4136.9136.6-64.7172000119.6
212F30.7Very low31.4Very low178 Ų178140.2 Ų140.278%0.78174%0.744SS**  cis-139.1-171.17.5-108.6-27000108.9
213S27.8Very low31.9Very low96 Ų96140.1 Ų140.167%0.67174%0.744SS**  cis76158.825.3-39.10000115.2
214P43Very low32.4Very low115 Ų115135.5 Ų135.575%0.74774%0.74SS**  cis-108.3-141.78.925.9-0.7000112.4
215T31.8Very low32.3Very low109 Ų109134.9 Ų134.967%0.66974%0.741SS**  cis-160.1122.210.3-21.90000114.7
216T33.2Very low32.2Very low132 Ų132136.9 Ų136.981%0.8175%0.75SS**  trans63.3153.3143.550.10000125.8
217P41.9Very low31.9Very low114 Ų114134.6 Ų134.674%0.7475%0.746SS**  trans-132-165.3-155.244.7-26.5000115.6
218L31.1Very low31.6Very low156 Ų156134.3 Ų134.382%0.81774%0.743SS**  trans179.7150.3143.7-96.5156.9000115
219I33.6Very low31.3Very low132 Ų132130.2 Ų130.268%0.67774%0.736SS**  trans75.3108.5145.2-75.8166.7000123.8
220N29.6Very low31.4Very low130 Ų130127.2 Ų127.270%0.69573%0.733SS**  60138.3126.1-51.71.6000126.4
221T28.8Very low31.1Very low118 Ų118126.9 Ų126.972%0.72474%0.738SS**  trans58.4147.7138.352.40000120.5
222E30.3Very low31Very low175 Ų175124.6 Ų124.682%0.81873%0.734SS**  cis-154.3172.18.8-137.5155.7-129.600111.3
223L35.1Very low31Very low154 Ų154125.2 Ų125.281%0.80674%0.737SS**  trans-91.3148.5162.1-95.590000109.5
224P35.1Very low31.2Very low121 Ų121125 Ų12579%0.78674%0.736SS**  -141.7158.7107.135.5-21000116.9
225T26.5Very low30.5Very low105 Ų105126.5 Ų126.564%0.64474%0.737SS**  trans-48.5169.7166.552.80000117.9
226I26.2Very low30.3Very low158 Ų158128.4 Ų128.481%0.8174%0.743SS**  trans75146.2144.5-81.7158.1000116
227D25.1Very low30.1Very low123 Ų123129.3 Ų129.366%0.65874%0.743SS**  cis-170.7-169.4-25.7-163-5.4000106.3
228I27.4Very low29.5Very low139 Ų139129.1 Ų129.171%0.71374%0.739SS**  trans45.1101.1150-64.4154.5000114.8
229G27.9Very low29.4Very low65 Ų65129.3 Ų129.367%0.6774%0.736SS**  cis80.511929.600000111.5
230S29.5Very low29.1Very low112 Ų112129.3 Ų129.378%0.78374%0.737SS**  trans-168.7112.7166.5-810000106.6
231A29.9Very low29Very low93 Ų93128.7 Ų128.777%0.76974%0.738SS**  cis68.3174.527.700000113.9
232S26.6Very low28.9Very low91 Ų91131.1 Ų131.164%0.63674%0.738SS**  trans76.4140.4-154.7-33.20000111.4
233F31.1Very low28.8Very low192 Ų192128.9 Ų128.984%0.84273%0.731SS**  cis-141.9163.213.9-68.9-85.7000109.3
234S31.4Very low28.7Very low92 Ų92126.4 Ų126.464%0.64372%0.722SS**  cis-157.9154.1-0.4-122.70000114.1
235L28.5Very low28.8Very low146 Ų146128.5 Ų128.576%0.76472%0.721SS**  trans12.8123.8152.6-7678.8000122.2
236N27.2Very low28.7Very low149 Ų149130 Ų13080%0.79773%0.725SS**  38.2116.596.8-79.5-5.3000121.1
237N28.6Very low29.1Very low151 Ų151127.4 Ų127.481%0.80772%0.718SS**  92.7152121.2-146.89000121
238V29Very low29Very low109 Ų109128.8 Ų128.866%0.66173%0.725SS**  trans73.1106.3164.9-179.60000119.5
239H30.5Very low29.1Very low161 Ų161133.9 Ų133.975%0.74574%0.735SS**  trans68.4160149-87.259.1000120.2
240N26.3Very low29.3Very low132 Ų132136.1 Ų136.171%0.70674%0.736SS**  trans43103.5149.9-68.6-15.8000116.7
241T28.3Very low29.7Very low116 Ų116135.2 Ų135.271%0.71273%0.728SS**  cis-150.614735.237.40000113.3
242K26.3Very low29.5Very low169 Ų169137.2 Ų137.274%0.73573%0.725SS**  55.3111.371.2-122.7-169.8156.4-167.70107.3
243I27.4Very low29.7Very low129 Ų129138.1 Ų138.166%0.66272%0.723SS**  159.5141.885.6-91.8153.6000104.2
244T34.2Very low29.6Very low102 Ų102136.6 Ų136.663%0.62672%0.717SS**  cis-172.4164.3-11.133.90000104.7
245H37Very low29.6Very low165 Ų165137.9 Ų137.976%0.76472%0.716SS**  cis-154.6135.4-5.2-105.2-62.5000101.1
246N23.9Very low29.7Very low137 Ų137140.6 Ų140.673%0.73372%0.718SS**  cis52.8103.929.3-144.140.5000112.9
247P34.8Very low29.8Very low102 Ų102138.8 Ų138.866%0.66271%0.712SS**  cis-145.4-158.81.835.8-10.8000113.5
248L23.2Very low29.8Very low153 Ų153136.4 Ų136.480%0.80170%0.703SS**  trans4396.3133-170.178000117.9
249R29.8Very low29.7Very low245 Ų245137.9 Ų137.993%0.92571%0.707SS**  -156.7117.8129.2-119.6-167.4162.1143.9-3.4113.9
250T31.8Very low29.6Very low112 Ų112137 Ų13769%0.68771%0.708SS**  trans-80.6-177.3144.354.90000108.6
251P38.4Very low29.6Very low94 Ų94135.3 Ų135.361%0.6171%0.707SS**  cis-126.3-149.7-10.924.21.7000110.5
252D25.6Very low29.6Very low134 Ų134135.2 Ų135.272%0.71771%0.711SS**  trans79.6144.4154.6-49.8-32.6000117
253N29.6Very low30Very low110 Ų110132.8 Ų132.859%0.58871%0.712SS**  cis-152.9166.79.8-148.2-24.4000112.7
254F30.4Very low29.9Very low161 Ų161134.4 Ų134.471%0.70672%0.721SS**  trans67.9151.9164-51.9-49.5000116.5
255N31.2Very low29.7Very low118 Ų118140.3 Ų140.363%0.63173%0.734SS**  cis-161.7174.5-14.1-112.6-14.4000110.4
256Y29.6Very low29.3Very low203 Ų203137 Ų13780%0.79673%0.728SS**  trans12148.2140.1-73.2-112.3000120
257V29Very low29.6Very low111 Ų111136 Ų13667%0.67373%0.727SS**  cis-176.3165.3-13.281.40000107.5
258T29.7Very low29.4Very low102 Ų102136.8 Ų136.863%0.62674%0.735SS**  trans28.4132.9164.167.90000123
259N26.1Very low29.6Very low139 Ų139135.5 Ų135.574%0.74373%0.734SS**  54.1164.1126-55.2-7.7000123.2
260N28.6Very low29.6Very low142 Ų142129.6 Ų129.676%0.75973%0.725SS**  trans72.991.5154-67.60.7000119.4
261S26.8Very low29.4Very low98 Ų98130.1 Ų130.169%0.68573%0.728SS**  45.6131112.266.50000121
262S27.9Very low28.9Very low114 Ų114131.3 Ų131.380%0.79773%0.733SS**  trans78.1136.6159.5-54.50000116.9
263P34Very low29.3Very low118 Ų118130.9 Ų130.977%0.76674%0.736SS**  trans-80.8147.5169.134.5-33.5000110.9
264L26.4Very low29.3Very low162 Ų162133 Ų13385%0.84875%0.746SS**  trans177.6131.3136.8-100160.9000112.5
265Y30.6Very low29.5Very low227 Ų227131.5 Ų131.589%0.8975%0.753SS**  trans-136.1143.1148.7-80.6-89.8000105.2
266C28.9Very low29.3Very low94 Ų94131 Ų13164%0.63576%0.759SS**  cis-150.3146.18.1-148.30000112.4
267T30.1Very low29.4Very low116 Ų116125.9 Ų125.971%0.71275%0.752SS**  trans34130.2147.755.90000123.4
268S28.8Very low29.5Very low119 Ų119124.2 Ų124.283%0.83274%0.742SS**  trans90.1157.7133.1-660000121.1
269T27.7Very low29.6Very low127 Ų127124.3 Ų124.378%0.77974%0.738SS**  trans-81.6159.4-163-37.30000113.9
270T30.5Very low29.8Very low121 Ų121123.2 Ų123.274%0.74273%0.728SS**  trans102.1110.3159.568.70000119.1
271V27.4Very low29.7Very low123 Ų123123.3 Ų123.375%0.74573%0.729SS**  75.4136.8124.8-179.60000120.2
272T28.9Very low30.4Very low118 Ų118122.9 Ų122.972%0.72472%0.723SS**  trans74.2116.716141.20000123.2
273T32.1Very low30.3Very low126 Ų126122.3 Ų122.377%0.77372%0.719SS**  trans66.5120.9133.257.20000123.1
274L30.8Very low30Very low153 Ų153122.8 Ų122.880%0.80172%0.72SS**  trans-66.9159.1146.4-86.670.8000111.1
275P34.2Very low29.9Very low131 Ų131122.7 Ų122.785%0.85172%0.72SS**  -138.5166.6109.538.4-27.8000115.2
276S27.6Very low29.7Very low108 Ų108116.4 Ų116.476%0.75571%0.709SS**  trans-103.4159.1-172.4-42.20000114.3
277S32.2Very low29.6Very low94 Ų94117.9 Ų117.966%0.65772%0.715SS**  trans-165.3148.9157.360.80000114.2
278V31.1Very low29.4Very low76 Ų76116.4 Ų116.446%0.46171%0.71SS.*  trans58.2129136.3170.80000117.8C878 N880V278-C878 WeakPolarHBondContact CA-O 3.46Å; V278-C878 PolarHBondContact N-O 3.38Å; V278-N880 PolarHBondContact O-ND2 2.82Å
279I31.5Very low29.4Very low105 Ų105120.7 Ų120.754%0.53871%0.714SS.*  cis-146.5-168.513.1-145.8168000112.6C878 S879I279-C878 HydrophobicContact CG1-CB 4.3Å; I279-S879 WeakPolarHBondContact O-CB 3.47Å
280H30.3Very low29.5Very low116 Ų116121 Ų12154%0.53771%0.708SS.*  trans-62.4163.3-179.1-72.2-130000113.7C878 S879H280-C878 VanDerWaalsContact CD2-SG 3.55Å; H280-C878 PolarHBondContact NE2-SG 2.81Å; H280-S879 PolarHBondContact CD2-OG 2.86Å; H280-S879 PolarHBondContact N-OG 2.92Å
281N26.9Very low30Very low144 Ų144121.4 Ų121.477%0.7771%0.713SS**  cis70.1161.134.8-132.919.4000113.5
282P40.1Very low30Very low89 Ų89121.8 Ų121.858%0.57871%0.71SS**  -129.8170.1-95.441.6-27.4000116.6
283S26.4Very low30.1Very low102 Ų102125.3 Ų125.371%0.71372%0.715SS**  trans66.3150.414766.90000122.8
284T26.8Very low29.9Very low128 Ų128126.8 Ų126.879%0.78572%0.717SS**  trans91.1136163.373.40000120.5
285L24.9Very low29.9Very low160 Ų160124.3 Ų124.384%0.83871%0.712SS**  trans57100.3155-68.1165.7000121.6
286S25.5Very low30Very low94 Ų94123.1 Ų123.166%0.65770%0.702SS**  51115.8123.2-1540000121.4
287T27.3Very low30.2Very low125 Ų125125 Ų12577%0.76770%0.704SS**  trans65.5123.7138.350.90000121.7
288S27.4Very low30.4Very low86 Ų86126.2 Ų126.260%0.60171%0.71SS**  trans77.5122139.2176.30000119.6
289F27.6Very low30.7Very low209 Ų209128.2 Ų128.292%0.91772%0.724SS**  trans-110.9135.4135.2-102.3-83.9000110.2
290M30.2Very low30.3Very low132 Ų132127.7 Ų127.765%0.6573%0.73SS**PPolyproline II helixtrans-92.3173179.8-52.5170.8161.900111.5
291P41.7Very low29.9Very low130 Ų130126.5 Ų126.584%0.84474%0.735SS**PPolyproline II helixtrans-80.9133.5135.533.1-28.9000110.9
292L26.4Very low29.8Very low131 Ų131128 Ų12869%0.68674%0.737SS**PPolyproline II helixtrans-93.5135.8-167.1-65.9161.2000114.6
293K31.2Very low29.3Very low193 Ų193131 Ų13184%0.83975%0.749SS**  trans173.8109.1137.5-95.2154.8-176.3178.80109.6
294I28.9Very low29.5Very low157 Ų157132.1 Ų132.181%0.80575%0.751SS**  70.799.975.2-61.9162.4000113
295S29.5Very low29.6Very low100 Ų100131.3 Ų131.370%0.69975%0.747SS**  trans-172.5130.8136.4-161.30000113.3
296T36.3Very low29.7Very low106 Ų106130.3 Ų130.365%0.6574%0.741SS**  trans44.1121.4143.555.70000123.8
297N31.9Very low29.7Very low147 Ų147131.2 Ų131.279%0.78675%0.748SS**  55.1157.9117.2-53.2-11.5000122.7
298P37.4Very low30.2Very low120 Ų120130.4 Ų130.478%0.77975%0.745SS**  cis-126.4-124.9-34.431.8-8.3000112
299P35.9Very low30.2Very low118 Ų118133.5 Ų133.577%0.76675%0.754SS**  -129.2-162.7-125.543.3-21.9000115.6
300S23Very low30.4Very low94 Ų94127.3 Ų127.366%0.65774%0.737SS**  trans-73.4178.9170.858.50000114.5
301S23.7Very low30.4Very low92 Ų92127.1 Ų127.164%0.64374%0.737SS**  trans68.8131.7149.543.70000119.4
302E24.4Very low29.7Very low175 Ų175126 Ų12682%0.81873%0.732SS**  trans46.498143.2-60.2176.8134.800117.9
303N29.6Very low29.9Very low153 Ų153122.3 Ų122.382%0.81872%0.717SS**  -158.4156.492.6-107-75.8000112.6P305N303-P305 VanDerWaalsContact O-CD 3.23Å; N303-P305 WeakPolarHBondContact O-CD 3.38Å
304V30.7Very low29.7Very low125 Ų125117.6 Ų117.676%0.75871%0.708SS**  trans-96.7105.9170.3172.60000108.5I306V304-I306 PolarHBondContact O-N 2.97Å
305P27.5Very low30Very low110 Ų110116.6 Ų116.671%0.71471%0.712SS**  trans-80.4103153.231.7-28000107.8N303N303-P305 VanDerWaalsContact O-CD 3.23Å; N303-P305 WeakPolarHBondContact O-CD 3.38Å
306I28.6Very low30.1Very low139 Ų139115.9 Ų115.971%0.71371%0.707SS**  trans51.4110.9143.9-46.8165.2000115.4V304 P308V304-I306 PolarHBondContact O-N 2.97Å; I306-P308 WeakPolarHBondContact O-CD 3.4Å
307S25.5Very low30.1Very low114 Ų114116.2 Ų116.280%0.79771%0.709SS**  trans-77.2102.7148.2-61.20000108.7
308P37Very low30.2Very low107 Ų107116.1 Ų116.170%0.69571%0.708SS**  trans-75.3149.9157.934.9-34.4000108.1I306I306-P308 WeakPolarHBondContact O-CD 3.4Å
309L28Very low30.1Very low151 Ų151114.7 Ų114.779%0.79170%0.7SS**  trans-62.1135.9173.9-101.759.7000111.7
310S30.7Very low29.7Very low80 Ų80114.3 Ų114.356%0.55970%0.696SS**  81.6123.7129.5-66.80000122.4
311I30.1Very low30Very low128 Ų128116.7 Ų116.766%0.65670%0.7SS**  78.486125.1-59.1169.6000117.8S313I311-S313 PolarHBondContact O-OG 3.11Å
312S27Very low30.5Very low107 Ų107123.3 Ų123.375%0.74871%0.713SS**  trans58.9-161.5133.970.90000117.3
313S31Very low30.7Very low52 Ų52118.3 Ų118.336%0.36471%0.708SS.*  cis-156.8116.642.7-61.40000114.3I311I311-S313 PolarHBondContact O-OG 3.11Å
314S28.2Very low31Very low94 Ų94116.9 Ų116.966%0.65771%0.71SS**THydrogen-bonded Turntrans63.5178.7144.4-54.80000117.6S316S314-S316 WeakPolarHBondContact CB-O 3.27Å; S314-S316 PolarHBondContact O-N 3.27Å
315P35Very low30.9Very low136 Ų136117.5 Ų117.588%0.88371%0.708SS**THydrogen-bonded Turntrans-66.264.5137.732.9-35.5000110.1
316S31.6Very low31.2Very low86 Ų86117 Ų11760%0.60171%0.705SS**SBendtrans64.5164.8179.7-43.40000115.1S314S314-S316 WeakPolarHBondContact CB-O 3.27Å; S314-S316 PolarHBondContact O-N 3.27Å
317V34.5Very low31.4Very low112 Ų112114.4 Ų114.468%0.67970%0.699SS**  cis-149.2142.817177.90000109.3
318L33.8Very low31.8Very low146 Ų146114.6 Ų114.676%0.76470%0.698SS**  trans61.1116.7166.7-67.7164.5000118.2
319S35.6Very low32.7Very low89 Ų89116.5 Ų116.562%0.62270%0.701SS**  68.9145.773.878.10000116.6
320V29Very low33.2Very low110 Ų110114.3 Ų114.367%0.66770%0.696SS**  cis164.3129.5-30.21440000107.3
321L27.8Very low33Very low144 Ų144118.1 Ų118.175%0.75471%0.709SS**  trans68.3159.8165.7-77.3166.8000122.3
322Y34.6Very low33Very low232 Ų232116.2 Ų116.291%0.9171%0.706SS**  trans64.9157.3179.3-69.8-84.4000117.9
323G29.5Very low33Very low70 Ų70117 Ų11772%0.72271%0.706SS**  trans-164.8155.3-173.100000115.8
324S35.5Very low32.9Very low122 Ų122120.3 Ų120.385%0.85373%0.725SS**  trans-169166.6170.6-78.10000109.4
325I29.2Very low32.9Very low139 Ų139120.3 Ų120.371%0.71372%0.724SS**  trans-150.5153.8-166-79.6177.7000107.7
326P32.5Very low32.5Very low100 Ų100122.4 Ų122.465%0.64972%0.72SS**  cis-127.1169.87.141.6-28.2000116.7
327S33.7Very low32.2Very low84 Ų84125.5 Ų125.559%0.58773%0.728SS**  trans52.2176.1139.378.20000120.4I329S327-I329 CarbonylContact C-O 3.19Å; S327-I329 VanDerWaalsContact C-O 3.27Å; S327-I329 VanDerWaalsContact CA-O 3.32Å; S327-I329 WeakPolarHBondContact CA-O 3.48Å
328C33.3Very low32.5Very low117 Ų117125 Ų12579%0.79173%0.727SS**SBendcis-137.896.2-7.9-149.70000108.9
329I57Low32.1Very low148 Ų148123 Ų12376%0.75973%0.725SS**SBend102.6139.1-89.9-78.5165.6000106.9S327S327-I329 CarbonylContact C-O 3.19Å; S327-I329 VanDerWaalsContact C-O 3.27Å; S327-I329 VanDerWaalsContact CA-O 3.32Å; S327-I329 WeakPolarHBondContact CA-O 3.48Å
330P36.6Very low31.5Very low104 Ų104125.3 Ų125.368%0.67573%0.731SS**  -91.4-145.8-125-16.334000115.9
331L28.4Very low31.4Very low161 Ų161125.6 Ų125.684%0.84373%0.728SS**  trans86.7167.5167-46.6173.6000116.4
332C29.6Very low31.5Very low87 Ų87125 Ų12559%0.58873%0.726SS**  trans71130.1173.9-67.80000118
333V26.2Very low31.2Very low124 Ų124120 Ų12075%0.75271%0.714SS**  cis78.5122.348.8168.80000110.9
334T28.5Very low31Very low122 Ų122124 Ų12475%0.74872%0.718SS**  cis-159.4175.8-115.90000112.6
335S29.1Very low30.6Very low93 Ų93122.6 Ų122.665%0.6571%0.709SS**  trans-34.5157.6156.261.90000115.9
336K25.9Very low30.5Very low181 Ų181123 Ų12379%0.78771%0.711SS**  -177.7138.776.6-124.3-178.7-176.5172.50115.1
337I25.7Very low30.3Very low150 Ų150124.4 Ų124.477%0.76972%0.717SS**  trans59.7-167.8156.4-10.4-178.1000117.4
338P41.5Very low30.1Very low103 Ų103123.6 Ų123.667%0.66972%0.722SS**  -132.8-167-128.146.1-25.8000117.1
339S25Very low30.2Very low103 Ų103129.4 Ų129.472%0.7273%0.728SS**  trans77.8161.8169.8-12.40000114.5
340D24Very low29.7Very low138 Ų138127.5 Ų127.574%0.73873%0.725SS**  cis-152.1174.3-8.7-142.9-15.2000112.2
341N26Very low29.5Very low115 Ų115130.5 Ų130.562%0.61573%0.73SS**  trans6.9125.4163.5-60.7-63.8000123
342N29.3Very low29.6Very low133 Ų133129.2 Ų129.271%0.71172%0.722SS**  91.7119.9123-78.1-14.8000125
343I28.1Very low29.5Very low126 Ų126131 Ų13165%0.64673%0.726SS**  85103.7126.2-64.2170.3000119.7
344N26.6Very low29.8Very low153 Ų153132.6 Ų132.682%0.81873%0.725SS**  trans64.8157145.8-54.5-4.8000117.9
345S26Very low29.8Very low93 Ų93132.6 Ų132.665%0.6573%0.725SS**  cis-157.8152.59.495.40000114
346I28.3Very low29.8Very low147 Ų147134.1 Ų134.175%0.75473%0.73SS**  trans69.3119.1141.1-62.4170.1000121.4
347V27.5Very low29.9Very low130 Ų130130.8 Ų130.879%0.78873%0.725SS**  trans25.9139.8133.4-166.60000120.1
348G28.9Very low30Very low67 Ų67130.6 Ų130.669%0.69173%0.726SS**  cis131.3-170.7200000113.7
349R37.1Very low29.4Very low240 Ų240130.9 Ų130.991%0.90673%0.73SS**  trans74.1156167.9-137.7-178.4-167.9-166.32.1117.9
350P46.1Very low29.6Very low108 Ų108134.6 Ų134.670%0.70174%0.738SS**  trans-130.7140140.813.97.6000114.3
351Q32.4Very low29.9Very low167 Ų167133.2 Ų133.278%0.7874%0.739SS**  59.3137.4127.4-55.4-58.81.100120
352I29.9Very low30Very low134 Ų134135.4 Ų135.469%0.68775%0.749SS**  cis-155.7159.516.3-108.2149000111.3
353N28.2Very low29.9Very low124 Ų124133 Ų13366%0.66374%0.743SS**  trans67127.8158.2-81.11.9000126.4
354Q30.9Very low30.1Very low158 Ų158136.3 Ų136.374%0.73876%0.756SS**  57.7109.8121.6-63.1175.8-14.500123.7
355T28.6Very low30.1Very low122 Ų122137.2 Ų137.275%0.74876%0.757SS**  37.9118.612757.20000123.6
356V29.7Very low30.1Very low125 Ų125139.9 Ų139.976%0.75876%0.759SS**  82118.6121.6174.90000120.7
357T28.5Very low30.1Very low111 Ų111143.7 Ų143.768%0.68177%0.765SS**  trans62.9124156.650.30000123.2
358D27Very low30.1Very low145 Ų145144.3 Ų144.378%0.77576%0.763SS**  80.4150.1129.6-62-8.3000124.2
359S29.9Very low30.3Very low109 Ų109146.2 Ų146.276%0.76276%0.763SS**  trans76.9103.5166690000120.3
360M28Very low29.8Very low181 Ų181142.4 Ų142.489%0.89276%0.76SS**  53.6127.3128.3-62.4-179.270.200121.9
361S30.3Very low29.1Very low109 Ų109143.9 Ų143.976%0.76276%0.762SS**  trans-71.9149.6165-39.10000113
362I29Very low29Very low161 Ų161143.8 Ų143.883%0.82676%0.762SS**  trans173.6151.8147.6-97.7152.6000107.5
363S27.4Very low29.2Very low82 Ų82146.3 Ų146.357%0.57377%0.771SS**  cis172.7126.7-36.6-97.30000107
364Q32Very low29.4Very low197 Ų197147.3 Ų147.392%0.92178%0.776SS**SBendtrans-137.1128.3158.4-72-177.2-13.700106.5
365M27Very low29.5Very low172 Ų172146.5 Ų146.585%0.84778%0.777SS**  cis-135.5143.9-2.3-103.3-87.7-146.800108.6
366H25Very low29.6Very low148 Ų148148.2 Ų148.269%0.68578%0.78SS**  trans-92.4147.4166-89.669.5000109.6
367Y28.6Very low30Very low227 Ų227147.3 Ų147.389%0.8978%0.777SS**  trans-164.7153.8137.8-107.1-69.3000111.9
368I26.8Very low30.6Very low143 Ų143147.9 Ų147.973%0.73378%0.783SS**  trans-139.8131.2-177.1-67.5167000104.3
369P34.7Very low30.6Very low108 Ų108147.2 Ų147.270%0.70178%0.784SS**  -160.6176.291.242.8-21.5000118.8
370L25.1Very low30.4Very low159 Ų159151.8 Ų151.883%0.83279%0.79SS**  trans15.1128.3143.1-57.8164000119.4
371N32.1Very low30.4Very low140 Ų140149.8 Ų149.875%0.74979%0.789SS**  -169.9-172.977.6-14443.5000112.6
372E30.1Very low30.5Very low164 Ų164148.6 Ų148.677%0.76679%0.785SS**  trans-90.5144.7-165-54.2164.2110.100116
373Q34.4Very low30.6Very low188 Ų188147.2 Ų147.288%0.87979%0.785SS**  trans-172.1103.7133.1-106.2173.119.700114.3
374N31.6Very low30.8Very low144 Ų144149.2 Ų149.277%0.7779%0.794SS**  trans44.4137.6149.2-62.1-15.5000124.8
375N33.1Very low30.8Very low142 Ų142146.2 Ų146.276%0.75979%0.789SS**  trans76.4130.4160-56.2-25.6000119
376L32.3Very low31Very low157 Ų157143.3 Ų143.382%0.82279%0.785SS**  cis-153.5156.9-21.2-109.6143.8000107.9
377P38.3Very low31.4Very low106 Ų106143.2 Ų143.269%0.68880%0.795SS**  trans-123.1-155.7-14948.9-37.9000112.8
378P39.6Very low31.6Very low123 Ų123139.8 Ų139.880%0.79979%0.791SS**  cis-136.2-174-0.238.3-16.1000117.7
379T27.5Very low31.9Very low132 Ų132138.5 Ų138.581%0.8179%0.79SS**  trans-123.5159.6-155.6-51.20000114.1
380F26.6Very low31.8Very low204 Ų204139.1 Ų139.190%0.89579%0.792SS**  trans-82.9121.6167.7-102.4-86.3000112.5
381T27.3Very low32Very low139 Ų139140 Ų14085%0.85379%0.792SS**  trans-167.3167.7154250000112.2
382A32.8Very low31.9Very low84 Ų84140.2 Ų140.269%0.69480%0.798SS**  trans-93179.3162.600000109.8
383T31Very low32Very low132 Ų132136.1 Ų136.181%0.8180%0.8SS**  cis-150.3171.520.7-41.90000111.2
384T30.4Very low32Very low125 Ų125131.4 Ų131.477%0.76779%0.793SS**  trans-47.8143.9175.6-33.30000115.7
385T32.7Very low32Very low133 Ų133130 Ų13082%0.81679%0.79SS**  trans139143.9133.1-52.10000113.4
386S30.5Very low31.9Very low111 Ų111131.1 Ų131.178%0.77679%0.791SS**  trans-100.9156.7-163.8-32.50000114.9
387T33.8Very low31.8Very low146 Ų146128 Ų12890%0.89678%0.782SS**  trans-144.4168.4160.842.50000112
388I33.5Very low31.3Very low155 Ų155133.5 Ų133.580%0.79579%0.79SS**  trans-128.8138.9-173.9-48172.1000105.4
389T32.4Very low31.5Very low116 Ų116132.8 Ų132.871%0.71279%0.786SS**  -176.5171.873.8-40.70000111
390T33.6Very low31.7Very low121 Ų121132 Ų13274%0.74278%0.783SS**  trans64.2107.3172.555.50000116
391Q27.8Very low32Very low179 Ų179130 Ų13084%0.83678%0.78SS**  74.9107.461.2-72.1-166.60.500115.5
392T31.7Very low31.9Very low143 Ų143128 Ų12888%0.87777%0.772SS**  -174.6132.3111.720.20000111.4
393G31.1Very low31.7Very low78 Ų78129.3 Ų129.380%0.80478%0.776SS**  trans71.3145.517200000116.5
394A34.6Very low31.6Very low89 Ų89129.7 Ų129.774%0.73677%0.771SS**  cis-153.9163.3-18.200000110.2
395T32.2Very low31.8Very low114 Ų114130.3 Ų130.370%0.69977%0.77SS**  trans1140.2150.654.10000118.7
396E31.1Very low31.8Very low167 Ų167130.5 Ų130.578%0.7877%0.765SS**  cis-161.11375.8-106.1159.5-171.900106.6
397S30Very low31.9Very low91 Ų91132.5 Ų132.564%0.63677%0.767SS**  84.8126.872.8108.90000115.6
398Y26.5Very low31.7Very low221 Ų221128.8 Ų128.887%0.86776%0.757SS**  trans76.2151.6157.7-81.7-111.6000121.3
399P44.4Very low32.1Very low109 Ų109127.9 Ų127.971%0.70876%0.761SS**  trans-96.2174178.245.4-39.4000110.6
400P32.3Very low32.3Very low114 Ų114126 Ų12674%0.7477%0.765SS**  -151.817979.441.7-23000115.8
401I32.3Very low32.3Very low164 Ų164128.7 Ų128.784%0.84176%0.763SS**  trans-71129.3151.5-61.2165.8000107.9
402S25Very low32.9Very low97 Ų97125.4 Ų125.468%0.67876%0.757SS**  trans160.5136.5130.251.70000114.1
403S29.2Very low32.9Very low111 Ų111127.9 Ų127.978%0.77675%0.75SS**  -178.8142.8123.831.40000109.9
404I29.6Very low33.1Very low139 Ų139130.1 Ų130.171%0.71375%0.749SS**  cis-156.8161.1-15.8-119.7159.4000107.1
405N33.8Very low33.1Very low138 Ų138131.9 Ų131.974%0.73875%0.75SS**  trans70.5136177-63.1-20.7000117.1
406L32.2Very low33.1Very low138 Ų138132.3 Ų132.372%0.72375%0.753SS**  cis-157.8149.8-14.7-157.566.7000111.1
407L33.6Very low33Very low153 Ų153129.7 Ų129.780%0.80175%0.752SS**  trans19.9148.5158.4-85.548.5000123.4
408G28.5Very low33Very low67 Ų67133.2 Ų133.269%0.69176%0.763SS**  trans-80.5-153.715700000112.9
409P41.5Very low33Very low136 Ų136127 Ų12788%0.88375%0.752SS**  cis-128.1172.524.641.1-26.6000116.1
410G36.9Very low32.3Very low78 Ų78128.1 Ų128.180%0.80476%0.757SS**  trans-179.466.2176.800000114.5
411Y34.7Very low32.3Very low177 Ų177128 Ų12869%0.69475%0.754SS**  trans-93.1174.1179.6-100.6-115.7000112.7R413Y411-R413 HydrophobicContact CD1-CB 4.22Å; Y411-R413 HydrophobicContact CE1-CB 4.38Å; Y411-R413 PolarHBondContact OH-NH1 3.14Å
412P40.5Very low32.2Very low109 Ų109128 Ų12871%0.70876%0.755SS**  cis-116.6175.1-11.741.2-29.9000112.3
413R32Very low32.5Very low195 Ų195126.7 Ų126.774%0.73675%0.75SS**  cis84.573.7-2.3-155.2-174.8176.5-157.4-3120.5Y411Y411-R413 HydrophobicContact CD1-CB 4.22Å; Y411-R413 HydrophobicContact CE1-CB 4.38Å; Y411-R413 PolarHBondContact OH-NH1 3.14Å
414T33.8Very low32.6Very low126 Ų126128.4 Ų128.477%0.77375%0.75SS**  trans-147.1145.8153.3510000109.8
415T34.6Very low32.6Very low125 Ų125127.3 Ų127.377%0.76775%0.75SS**  cis-170.4172.3-19310000106.9
416T32.5Very low32.7Very low124 Ų124126.3 Ų126.376%0.76175%0.749SS**  cis-171.4155.3-38.8-76.30000105.9
417C28.3Very low32.8Very low112 Ų112124.2 Ų124.276%0.75775%0.746SS**  trans-62.5166.2-179.8-40.80000114.7
418L30.5Very low32.9Very low164 Ų164122.9 Ų122.986%0.85975%0.745SS**  trans-156.4-162.2132-114.8168.8000113.2
419S26.3Very low33.2Very low92 Ų92127 Ų12764%0.64375%0.751SS**  trans-159.5-168-154.3-59.60000113.5
420T30.7Very low32.9Very low131 Ų131125.6 Ų125.680%0.80474%0.744SS**  trans84151.1161.468.70000120
421T31.8Very low33.3Very low111 Ų111127 Ų12768%0.68174%0.739SS**  cis-169.2143.6-34.1-60.70000110.2
422L30.1Very low33.2Very low165 Ų165125.2 Ų125.286%0.86475%0.747SS**  trans63.2165.4159.1-105.355000120.1
423A32.5Very low32.8Very low69 Ų69124.8 Ų124.857%0.5775%0.747SS**  cis-154.6160.2-1.500000113.3
424N30.6Very low32.9Very low147 Ų147120.6 Ų120.679%0.78675%0.747SS**  trans46.8142.7143.1-59.7-1.2000122.4
425T30Very low32.8Very low116 Ų116120.8 Ų120.871%0.71275%0.748SS**  cis-156.8-144.6-14.130.10000107.4
426T36.1Very low32.6Very low118 Ų118120.2 Ų120.272%0.72475%0.749SS**  cis-165.8151.57.8-24.70000112.8
427S32.4Very low32.3Very low94 Ų94118.6 Ų118.666%0.65775%0.748SS**  trans44.3126.6149.560.10000125.1
428T35.8Very low32.3Very low125 Ų125119.8 Ų119.877%0.76775%0.752SS**  trans62.2138.7143.250.10000119.8
429D35.7Very low32.2Very low153 Ų153117.4 Ų117.482%0.81874%0.744SS**  cis-141.5-171.720.7-111.2-38.8000115
430S35.9Very low32.3Very low106 Ų106121.2 Ų121.274%0.74176%0.756SS**  trans-114.7-171.5-165.8-59.40000114.3
431P44Very low32.1Very low109 Ų109118.9 Ų118.971%0.70875%0.745SS**  -133.2163.3-60.737.3-22.9000114.3
432T33.8Very low32Very low138 Ų138121.6 Ų121.685%0.84775%0.75SS**  trans-176147.3134.915.30000114.2
433S32.4Very low31.9Very low101 Ų101119.4 Ų119.471%0.70674%0.739SS**SBendtrans43.3121.5159.657.20000122.1
434S33.6Very low31.6Very low106 Ų106122.2 Ų122.274%0.74174%0.744SS**  trans61.179.2148.350.10000119.5
435T30.8Very low31.5Very low131 Ų131124.1 Ų124.180%0.80475%0.748SS**  -12.5137.6122.150.20000116.1
436S31Very low31.2Very low113 Ų113123.5 Ų123.579%0.7975%0.748SS**  cis-153.8141.6-3.5-740000111.2
437A27Very low30.8Very low89 Ų89125.2 Ų125.274%0.73675%0.751SS**  trans-115.7-136.3162.400000108.3
438V28.3Very low30.6Very low137 Ų137125.4 Ų125.483%0.8375%0.753SS**  trans79.8130.3157.4-177.40000115.9
439V27.5Very low30.1Very low114 Ų114126.5 Ų126.569%0.69175%0.753SS**  cis-172.8158.7-25.7117.40000107.1
440L28.8Very low29.7Very low173 Ų173124.3 Ų124.391%0.90675%0.749SS**  -169.4144.4129.2-102.1172.6000110.5
441S25.8Very low29.4Very low81 Ų81127.5 Ų127.557%0.56675%0.752SS**  trans-166.9129.4-159.1-173.30000110.9
442H29.5Very low28.6Very low168 Ų168127 Ų12778%0.77875%0.751SS**  trans60.6150.1162.8-65.7-57.2000117.6
443N28.4Very low28.4Very low119 Ų119123.8 Ų123.864%0.63675%0.746SS**  cis-157.5-176.14.5-134.821.8000113.8
444D26.4Very low28.3Very low129 Ų129123.3 Ų123.369%0.6975%0.748SS**  trans69.491.7153.9-53.8-29.2000120.9
445E28.7Very low28Very low186 Ų186123.2 Ų123.287%0.86974%0.742SS**  -170.9119.4106.2-92.8-167.1138.400107.9
446C24.1Very low27.8Very low104 Ų104126.2 Ų126.270%0.70375%0.745SS**  73.1134.175.9-67.20000113.9
447I27.1Very low27.6Very low153 Ų153126.2 Ų126.279%0.78574%0.736SS**  cis-158.4166.50.1-115162.1000109.9
448S27.5Very low27.6Very low99 Ų99126.5 Ų126.569%0.69273%0.732SS**  trans72.5108.1172.7-151.50000116.5
449L26.2Very low27.6Very low148 Ų148124.9 Ų124.978%0.77572%0.717SS**  cis78.1121.735.9-56.3158.9000116
450S27.1Very low27.6Very low106 Ų106125.5 Ų125.574%0.74172%0.716SS**  trans59.8147.3153.949.60000119.4
451H29.1Very low27.7Very low174 Ų174124 Ų12481%0.80671%0.705SS**  cis-152.8134.1-1.3-119.23000108.3
452S28Very low27.9Very low98 Ų98124.9 Ų124.969%0.68570%0.703SS**  93.1134.186.2-169.60000113.9
453G29.3Very low28.1Very low71 Ų71124.1 Ų124.173%0.73270%0.703SS**SBendtrans-177.263.8-172.700000113.1
454A30.9Very low28.3Very low91 Ų91124.1 Ų124.175%0.75270%0.703SS**  trans71.2133-17700000116.2
455V25.7Very low29.1Very low103 Ų103123.1 Ų123.162%0.62470%0.704SS**  cis58.7110.9-3.4-147.80000114.7
456F27.9Very low29Very low195 Ų195122 Ų12286%0.85570%0.703SS**  cis-126.1151.535.1-82.1-113.4000109.8
457N26.5Very low29.3Very low113 Ų113123.9 Ų123.960%0.60471%0.706SS**  cis45.5109.410.9-91.230.9000114.8I459N457-I459 HydrophobicContact CB-CD1 4.5Å
458C27.1Very low29.3Very low95 Ų95121.2 Ų121.264%0.64270%0.701SS**  cis-130.3164.646.4-71.10000112.7
459I29.1Very low30Very low102 Ų102122.1 Ų122.152%0.52371%0.705SS.*  cis66.6133.940.7-39155.6000108.8N457N457-I459 HydrophobicContact CB-CD1 4.5Å
460D25.6Very low30Very low127 Ų127121.9 Ų121.968%0.67971%0.71SS**  179144.6102.8-81.4-0.3000108.3
461E31.9Very low29.8Very low143 Ų143121.7 Ų121.767%0.66871%0.708SS**  cis-143.2140.6-7.5-84.8-128.390.200107.1
462N30.2Very low29.9Very low98 Ų98121.5 Ų121.552%0.52471%0.711SS.*  61.9145.885.4-53.2-29000113
463I34.3Very low29.9Very low152 Ų152122.5 Ų122.578%0.77971%0.709SS**  cis-143.9149.838.2-75.4168.6000109.8
464D31.1Very low29.9Very low119 Ų119125.4 Ų125.464%0.63672%0.718SS**  cis-161.7168.2-23.2-98.2-23.9000110.6
465P42.7Very low29.7Very low109 Ų109124.9 Ų124.971%0.70871%0.709SS**  trans-129.9133.2176.337.7-20.9000116.2
466L28.2Very low29.9Very low161 Ų161128.9 Ų128.984%0.84372%0.721SS**  trans-160.6159.4150.4-121.762.2000106.1
467D30.3Very low30.2Very low145 Ų145128.7 Ų128.778%0.77572%0.723SS**  cis-135.2175.222.7-148.4-17.6000114
468S25.8Very low30.3Very low96 Ų96132.5 Ų132.567%0.67173%0.734SS**  trans-116.6-165.9-168.5-43.80000112.5
469P43.8Very low30.6Very low119 Ų119135.4 Ų135.477%0.77374%0.74SS**  -118.6168.3-129.531.4-9.8000115.7
470T24.9Very low31.2Very low143 Ų143138.1 Ų138.188%0.87775%0.748SS**  trans-146.1159161.8-27.10000111.9
471S24.4Very low31.7Very low101 Ų101139.9 Ų139.971%0.70676%0.757SS**  trans-54.4147.2-168.353.70000117.5
472I30.9Very low32Very low170 Ų170141.1 Ų141.187%0.87276%0.763SS**  -152.6126.7124.8-101.1150.4000110.9
473D27.7Very low33.3Very low120 Ų120139.7 Ų139.764%0.64276%0.755SS**  trans33.8123.2158.1-163.113000122.5S475D473-S475 VanDerWaalsContact CG-OG 3.32Å; D473-S475 PolarHBondContact O-N 3.01Å; D473-S475 VanDerWaalsContact OD1-CB 3.3Å; D473-S475 WeakPolarHBondContact OD1-CB 3.19Å; D473-S475 PolarHBondContact OD1-N 3.37Å; D473-S475 PolarHBondContact OD1-OG 2.94Å; D473-S475 VanDerWaalsContact OD2-CB 3.26Å; D473-S475 WeakPolarHBondContact OD2-CB 3.43Å; D473-S475 PolarHBondContact OD2-OG 2.87Å
474S28.1Very low34.7Very low131 Ų131140.1 Ų140.192%0.91675%0.753SS**SBendtrans-87.844.8173.6-64.60000114
475S27.2Very low36.9Very low81 Ų81139.1 Ų139.157%0.56675%0.754SS**  trans-121.223-170.6-59.20000117D473D473-S475 VanDerWaalsContact CG-OG 3.32Å; D473-S475 PolarHBondContact O-N 3.01Å; D473-S475 VanDerWaalsContact OD1-CB 3.3Å; D473-S475 WeakPolarHBondContact OD1-CB 3.19Å; D473-S475 PolarHBondContact OD1-N 3.37Å; D473-S475 PolarHBondContact OD1-OG 2.94Å; D473-S475 VanDerWaalsContact OD2-CB 3.26Å; D473-S475 WeakPolarHBondContact OD2-CB 3.43Å; D473-S475 PolarHBondContact OD2-OG 2.87Å
476Q31.1Very low39Very low186 Ų186135.1 Ų135.187%0.86973%0.726SS**  trans-121.344.4179.6-63.2-163.912.800115.7
477Q32.6Very low42Very low192 Ų192131.2 Ų131.290%0.89771%0.706SS**SBendtrans-112.4-9.2163-72.8-164.72.400115.2
478F30.1Very low45Very low192 Ų192124.4 Ų124.484%0.84267%0.67SS**SBendtrans-87.8166.4157.6-77.3-99.4000109.8
479M32.9Very low48.3Very low157 Ų157124.8 Ų124.877%0.77366%0.66SS**  trans74.148.1-170.5-55.9-62.7177.600116.8
480K41.4Very low50.7Low159 Ų159124.7 Ų124.769%0.69165%0.649SS**  trans-92.9-9173-153157.6-166.7157.10115.7I483K480-I483 HydrophobicContact CG-CD1 4.48Å; K480-I483 WeakPolarHBondContact O-CD1 3.44Å; K480-I483 WeakPolarHBondContact O-CG1 3.26Å
481D35.2Very low54.1Low163 Ų163118.5 Ų118.587%0.87261%0.61SS**SBendtrans-109.24.2-171.8-66.3-59.2000115.2
482Q39Very low57.5Low170 Ų170113.7 Ų113.779%0.79458%0.577SS**  trans-106.537169-65.7-154.860.200112.8E484Q482-E484 PolarHBondContact O-N 3.27Å
483I58.3Low60.6Low68 Ų68107 Ų10735%0.34955%0.546SS..  trans-76.6107.6176.6-60.1173.9000109.5K480 W531 R543K480-I483 HydrophobicContact CG-CD1 4.48Å; K480-I483 WeakPolarHBondContact O-CD1 3.44Å; K480-I483 WeakPolarHBondContact O-CG1 3.26Å; I483-W531 HydrophobicContact CG2-CZ2 4.09Å; I483-R543 VanDerWaalsContact CD1-NH1 3.3Å
484E62.8Low63.8Low160 Ų160103.7 Ų103.775%0.74853%0.531SS*.  trans-50.9141.4179.3-164.2174.7-164.400112.3Q482 L486Q482-E484 PolarHBondContact O-N 3.27Å; E484-L486 PolarHBondContact O-N 3.45Å
485P77.6Confident67.1Low99 Ų9997.5 Ų97.564%0.64349%0.487SS*.  trans-70.889.6-174.127.6-36.6000113.5W531P485-W531 VanDerWaalsContact CA-CD1 3.49Å; P485-W531 HydrophobicContact CB-CG 4.29Å
486L85.7Confident70.3Confident24 Ų2498.4 Ų98.413%0.12648%0.478CS..  trans-52.8136.4-175.4-64.3178.1000114.8E484 T488 I491 W531 R543E484-L486 PolarHBondContact O-N 3.45Å; L486-T488 PolarHBondContact O-N 3.1Å; L486-I491 HydrophobicContact CB-CD1 3.9Å; L486-I491 HydrophobicContact CD1-CD1 4.38Å; L486-W531 HydrophobicContact CB-CD2 4.31Å; L486-W531 HydrophobicContact CB-CE3 3.91Å; L486-W531 HydrophobicContact CB-CH2 4.37Å; L486-W531 HydrophobicContact CB-CZ3 3.97Å; L486-W531 HydrophobicContact CD1-CH2 3.72Å; L486-W531 HydrophobicContact CD1-CZ2 4.49Å; L486-W531 HydrophobicContact CD1-CZ3 3.77Å; L486-W531 HydrophobicContact CG-CH2 4.14Å; L486-W531 HydrophobicContact CG-CZ2 4.48Å; L486-W531 HydrophobicContact CG-CZ3 4.19Å; L486-R543 HydrophobicContact CD1-CG 4.04Å
487N91.4Very high73.4Confident79 Ų7994 Ų9442%0.42246%0.46SS..  trans-74.287.4175.9-170.60.8000111.6F489 E490 I491N487-F489 PolarHBondContact O-N 2.95Å; N487-F489 VanDerWaalsContact O-N 3.13Å; N487-F489 PolarHBondContact OD1-N 3.39Å; N487-E490 HydrophobicContact CB-CB 4.04Å; N487-E490 WeakPolarHBondContact CB-OE2 3.43Å; N487-E490 VanDerWaalsContact ND2-CB 3.33Å; N487-E490 WeakPolarHBondContact ND2-CB 3.44Å; N487-E490 PolarHBondContact ND2-OE2 3.18Å; N487-E490 PolarHBondContact O-N 2.81Å; N487-I491 WeakPolarHBondContact O-CG1 3.25Å; N487-I491 PolarHBondContact O-N 3.47Å; N487-I491 VanDerWaalsContact O-N 3.09Å
488T94.3Very high76.3Confident2 Ų286.7 Ų86.71%0.01243%0.427CS..Hα-helixtrans-57.1-25.3179.754.30000114.5L486 A492 P528 R529 P530 W531 L534 Y542L486-T488 PolarHBondContact O-N 3.1Å; T488-A492 WeakPolarHBondContact O-CB 2.95Å; T488-A492 PolarHBondContact O-N 3.48Å; T488-P528 WeakPolarHBondContact O-CB 3.23Å; T488-R529 WeakPolarHBondContact CB-O 3.37Å; T488-R529 PolarHBondContact OG1-O 3.49Å; T488-P530 WeakPolarHBondContact OG1-CA 3.38Å; T488-W531 HydrophobicContact CG2-CB 4.24Å; T488-W531 HydrophobicContact CG2-CE3 4.13Å; T488-L534 HydrophobicContact CG2-CD1 3.73Å; T488-Y542 HydrophobicContact CG2-CD1 3.87Å; T488-Y542 HydrophobicContact CG2-CD2 4.17Å; T488-Y542 HydrophobicContact CG2-CE1 4.04Å; T488-Y542 HydrophobicContact CG2-CE2 4.35Å; T488-Y542 HydrophobicContact CG2-CG 3.93Å; T488-Y542 VanDerWaalsContact O-CE1 3.24Å; T488-Y542 WeakPolarHBondContact O-CE1 3.47Å
489F95.3Very high79.3Confident105 Ų10577.9 Ų77.946%0.46139%0.389SS..Hα-helixtrans-77.4-43.2-179.3-68.8-87.9000111.8N487 A492 A493 P528 P530N487-F489 PolarHBondContact O-N 2.95Å; N487-F489 VanDerWaalsContact O-N 3.13Å; N487-F489 PolarHBondContact OD1-N 3.39Å; F489-A492 CarbonylContact O-C 3.5Å; F489-A492 PolarHBondContact O-N 3.22Å; F489-A493 PolarHBondContact O-N 2.86Å; F489-P528 HydrophobicContact CD1-CB 4.24Å; F489-P528 HydrophobicContact CD1-CG 3.61Å; F489-P528 HydrophobicContact CE1-CB 4.46Å; F489-P528 HydrophobicContact CE1-CG 3.99Å; F489-P528 VanDerWaalsContact CE1-O 3.28Å; F489-P528 WeakPolarHBondContact CE1-O 3.21Å; F489-P528 HydrophobicContact CG-CG 4.32Å; F489-P528 WeakPolarHBondContact CZ-O 3.3Å; F489-P530 HydrophobicContact CE2-CB 4.09Å
490E94.2Very high82.2Confident116 Ų11675.3 Ų75.354%0.54238%0.383SS..Hα-helixtrans-67.5-49.4177.9178.9175.1-170.200110.9N487 A492 A493 T494N487-E490 HydrophobicContact CB-CB 4.04Å; N487-E490 WeakPolarHBondContact CB-OE2 3.43Å; N487-E490 VanDerWaalsContact ND2-CB 3.33Å; N487-E490 WeakPolarHBondContact ND2-CB 3.44Å; N487-E490 PolarHBondContact ND2-OE2 3.18Å; N487-E490 PolarHBondContact O-N 2.81Å; E490-A492 PolarHBondContact O-N 3.49Å; E490-A493 WeakPolarHBondContact O-CA 3.29Å; E490-A493 WeakPolarHBondContact O-CB 3.43Å; E490-A493 PolarHBondContact O-N 2.79Å; E490-T494 PolarHBondContact O-N 2.88Å; E490-T494 PolarHBondContact O-OG1 3.47Å; E490-T494 VanDerWaalsContact O-OG1 3.13Å
491I95.6Very high84.6Confident14 Ų1475.6 Ų75.67%0.07238%0.384CS..Hα-helixtrans-53.7-39.2172.1-66.4166.2000111.4L486 N487 V495 Y542 L545 Q546 I549L486-I491 HydrophobicContact CB-CD1 3.9Å; L486-I491 HydrophobicContact CD1-CD1 4.38Å; N487-I491 WeakPolarHBondContact O-CG1 3.25Å; N487-I491 PolarHBondContact O-N 3.47Å; N487-I491 VanDerWaalsContact O-N 3.09Å; I491-V495 WeakPolarHBondContact O-CB 3.41Å; I491-V495 WeakPolarHBondContact O-CG2 3.08Å; I491-V495 PolarHBondContact O-N 2.97Å; I491-Y542 HydrophobicContact CB-CD1 4.26Å; I491-Y542 HydrophobicContact CG2-CD1 3.9Å; I491-L545 HydrophobicContact CG2-CB 3.47Å; I491-L545 VanDerWaalsContact CG2-CB 3.47Å; I491-L545 HydrophobicContact CG2-CD1 3.99Å; I491-L545 HydrophobicContact CG2-CG 4.39Å; I491-Q546 HydrophobicContact CD1-CB 4.18Å; I491-I549 HydrophobicContact CB-CD1 4.48Å; I491-I549 HydrophobicContact CG2-CD1 3.98Å
492A96.6Very high87.2Confident0 Ų070.2 Ų70.20%035%0.353CS..Hα-helixtrans-78.2-15.1176.900000114.5T488 F489 E490 R496 L525 P528 Y542T488-A492 WeakPolarHBondContact O-CB 2.95Å; T488-A492 PolarHBondContact O-N 3.48Å; F489-A492 CarbonylContact O-C 3.5Å; F489-A492 PolarHBondContact O-N 3.22Å; E490-A492 PolarHBondContact O-N 3.49Å; A492-R496 WeakPolarHBondContact O-CG 3.22Å; A492-R496 PolarHBondContact O-NE 3.28Å; A492-R496 PolarHBondContact O-NH2 3.17Å; A492-L525 HydrophobicContact CB-CD2 4.11Å; A492-P528 HydrophobicContact CB-CB 3.8Å; A492-P528 HydrophobicContact CB-CG 3.88Å; A492-Y542 HydrophobicContact CB-CE1 4.37Å
493A95.9Very high89.7Confident28 Ų2868.8 Ų68.823%0.23135%0.351CS..Hα-helixtrans-81.1-60.7168.400000109.9F489 E490 V495 R496 D497F489-A493 PolarHBondContact O-N 2.86Å; E490-A493 WeakPolarHBondContact O-CA 3.29Å; E490-A493 WeakPolarHBondContact O-CB 3.43Å; E490-A493 PolarHBondContact O-N 2.79Å; A493-V495 PolarHBondContact O-N 3.21Å; A493-R496 WeakPolarHBondContact O-CA 3.46Å; A493-R496 WeakPolarHBondContact O-CB 3.22Å; A493-R496 PolarHBondContact O-N 2.87Å; A493-D497 VanDerWaalsContact C-OD2 3.3Å; A493-D497 PolarHBondContact O-N 2.81Å; A493-D497 VanDerWaalsContact O-OD2 3.12Å
494T95.5Very high91.3Very high52 Ų5266 Ų6632%0.31934%0.337SS..Hα-helixtrans-53.6-36-176.7-44.20000112.9E490 D497 L498 I549E490-T494 PolarHBondContact O-N 2.88Å; E490-T494 PolarHBondContact O-OG1 3.47Å; E490-T494 VanDerWaalsContact O-OG1 3.13Å; T494-D497 PolarHBondContact O-N 3.21Å; T494-L498 HydrophobicContact CG2-CD1 4.09Å; T494-L498 HydrophobicContact CG2-CG 4.46Å; T494-L498 VanDerWaalsContact O-CB 3.31Å; T494-L498 WeakPolarHBondContact O-CB 3.43Å; T494-L498 VanDerWaalsContact O-CG 3.28Å; T494-L498 WeakPolarHBondContact O-CG 3.16Å; T494-L498 PolarHBondContact O-N 2.89Å; T494-I549 HydrophobicContact CG2-CG2 3.8Å
495V96.1Very high92.6Very high0 Ų061.2 Ų61.20%032%0.321CS..Hα-helixtrans-70.4-38.5174.8174.80000112.6I491 A493 D497 L499 F509 M521 L525 L545 W548 I549I491-V495 WeakPolarHBondContact O-CB 3.41Å; I491-V495 WeakPolarHBondContact O-CG2 3.08Å; I491-V495 PolarHBondContact O-N 2.97Å; A493-V495 PolarHBondContact O-N 3.21Å; V495-D497 VanDerWaalsContact C-N 3.31Å; V495-L499 HydrophobicContact CG1-CD1 3.83Å; V495-L499 HydrophobicContact CG1-CG 4.24Å; V495-L499 VanDerWaalsContact O-CB 3.24Å; V495-L499 WeakPolarHBondContact O-CB 2.98Å; V495-L499 WeakPolarHBondContact O-CD1 3.38Å; V495-L499 WeakPolarHBondContact O-CG 3.34Å; V495-L499 PolarHBondContact O-N 2.91Å; V495-F509 HydrophobicContact CG1-CE1 4.48Å; V495-F509 HydrophobicContact CG1-CE2 4.41Å; V495-F509 HydrophobicContact CG1-CZ 4.11Å; V495-M521 HydrophobicContact CG1-CE 3.96Å; V495-L525 HydrophobicContact CB-CD2 3.91Å; V495-L525 HydrophobicContact CG1-CD1 4.18Å; V495-L525 HydrophobicContact CG1-CD2 3.86Å; V495-L545 HydrophobicContact CG1-CD2 4.02Å; V495-L545 HydrophobicContact CG2-CB 4.15Å; V495-L545 HydrophobicContact CG2-CD1 4.27Å; V495-L545 HydrophobicContact CG2-CD2 3.93Å; V495-L545 HydrophobicContact CG2-CG 4.34Å; V495-W548 HydrophobicContact CG2-CE3 4.43Å; V495-W548 HydrophobicContact CG2-CZ3 4.43Å; V495-I549 HydrophobicContact CG2-CD1 3.52Å; V495-I549 HydrophobicContact CG2-CG1 3.62Å
496R95.6Very high93.3Very high100 Ų10059.3 Ų59.338%0.37730%0.304SS..Hα-helixtrans-63-44.2172.6-78-179.1-73.4127.23.1110.1A492 A493 L499 T500 L525A492-R496 WeakPolarHBondContact O-CG 3.22Å; A492-R496 PolarHBondContact O-NE 3.28Å; A492-R496 PolarHBondContact O-NH2 3.17Å; A493-R496 WeakPolarHBondContact O-CA 3.46Å; A493-R496 WeakPolarHBondContact O-CB 3.22Å; A493-R496 PolarHBondContact O-N 2.87Å; R496-L499 PolarHBondContact O-N 3.23Å; R496-T500 WeakPolarHBondContact O-CB 3.41Å; R496-T500 PolarHBondContact O-N 3.21Å; R496-T500 PolarHBondContact O-OG1 3.44Å; R496-L525 HydrophobicContact CG-CB 3.98Å; R496-L525 HydrophobicContact CG-CD1 3.84Å; R496-L525 HydrophobicContact CG-CD2 4.38Å; R496-L525 HydrophobicContact CG-CG 4.3Å; R496-L525 PolarHBondContact NE-O 2.95Å
497D95.2Very high93.6Very high93 Ų9367.3 Ų67.350%0.49733%0.332SS..Hα-helixtrans-68.1-43.7-175.4-52-29.6000111A493 T494 V495 T500 K501A493-D497 VanDerWaalsContact C-OD2 3.3Å; A493-D497 PolarHBondContact O-N 2.81Å; A493-D497 VanDerWaalsContact O-OD2 3.12Å; T494-D497 PolarHBondContact O-N 3.21Å; V495-D497 VanDerWaalsContact C-N 3.31Å; D497-T500 PolarHBondContact O-N 3.09Å; D497-K501 WeakPolarHBondContact O-CB 3.39Å; D497-K501 PolarHBondContact O-N 3.39Å
498L94.1Very high93.5Very high39 Ų3964.7 Ų64.720%0.20432%0.317CS..Hα-helixtrans-63.1-42172.4-75.6170.1000113T494 H502 W548 I549T494-L498 HydrophobicContact CG2-CD1 4.09Å; T494-L498 HydrophobicContact CG2-CG 4.46Å; T494-L498 VanDerWaalsContact O-CB 3.31Å; T494-L498 WeakPolarHBondContact O-CB 3.43Å; T494-L498 VanDerWaalsContact O-CG 3.28Å; T494-L498 WeakPolarHBondContact O-CG 3.16Å; T494-L498 PolarHBondContact O-N 2.89Å; L498-H502 WeakPolarHBondContact O-CB 3.37Å; L498-H502 PolarHBondContact O-CD2 2.96Å; L498-H502 PolarHBondContact O-N 2.95Å; L498-W548 HydrophobicContact CB-CH2 3.99Å; L498-W548 HydrophobicContact CB-CZ3 4.07Å; L498-W548 HydrophobicContact CD1-CH2 4.22Å; L498-W548 HydrophobicContact CD1-CZ3 3.74Å; L498-I549 HydrophobicContact CD1-CG1 4.36Å; L498-I549 HydrophobicContact CD1-CG2 4.22Å
499L93.9Very high93.5Very high7 Ų764.6 Ų64.64%0.03732%0.317CS..Hα-helixtrans-63.6-42.1177.7-75.6175.4000111.7V495 R496 N503 I504 Q506 F509 L525V495-L499 HydrophobicContact CG1-CD1 3.83Å; V495-L499 HydrophobicContact CG1-CG 4.24Å; V495-L499 VanDerWaalsContact O-CB 3.24Å; V495-L499 WeakPolarHBondContact O-CB 2.98Å; V495-L499 WeakPolarHBondContact O-CD1 3.38Å; V495-L499 WeakPolarHBondContact O-CG 3.34Å; V495-L499 PolarHBondContact O-N 2.91Å; R496-L499 PolarHBondContact O-N 3.23Å; L499-N503 PolarHBondContact O-N 3.32Å; L499-I504 HydrophobicContact CD2-CB 3.65Å; L499-I504 HydrophobicContact CD2-CG2 3.46Å; L499-I504 VanDerWaalsContact CD2-CG2 3.46Å; L499-I504 PolarHBondContact O-N 3.07Å; L499-Q506 HydrophobicContact CD1-CG 4.07Å; L499-F509 HydrophobicContact CD1-CB 4.49Å; L499-F509 HydrophobicContact CD1-CD2 4.45Å; L499-F509 HydrophobicContact CD1-CG 4.34Å; L499-F509 HydrophobicContact CD2-CB 3.89Å; L499-F509 HydrophobicContact CD2-CD2 3.55Å; L499-F509 HydrophobicContact CD2-CE2 4.32Å; L499-F509 HydrophobicContact CD2-CG 3.94Å; L499-F509 HydrophobicContact CG-CD2 4.36Å; L499-L525 HydrophobicContact CD1-CD1 4.15Å
500T93Very high93.3Very high104 Ų10459.7 Ų59.764%0.63830%0.296SS*.Hα-helixtrans-69.2-52.2177.7-55.50000111.2R496 D497 H502 N503R496-T500 WeakPolarHBondContact O-CB 3.41Å; R496-T500 PolarHBondContact O-N 3.21Å; R496-T500 PolarHBondContact O-OG1 3.44Å; D497-T500 PolarHBondContact O-N 3.09Å; T500-H502 PolarHBondContact O-N 3.11Å; T500-N503 PolarHBondContact O-N 3.44Å; T500-N503 VanDerWaalsContact O-N 3.13Å; T500-N503 PolarHBondContact O-OD1 3.44Å
501K92.2Very high93.1Very high165 Ų16562.5 Ų62.572%0.71730%0.301SS*.Hα-helixtrans-56.2-21.8179.1-176.6174.6-179177.30113.8D497D497-K501 WeakPolarHBondContact O-CB 3.39Å; D497-K501 PolarHBondContact O-N 3.39Å
502H89.6Confident92.6Very high50 Ų5064.4 Ų64.423%0.23131%0.31CS..THydrogen-bonded Turntrans-116.69.2-176.6-63.3-43.8000114.6L498 T500 I504 V555L498-H502 WeakPolarHBondContact O-CB 3.37Å; L498-H502 PolarHBondContact O-CD2 2.96Å; L498-H502 PolarHBondContact O-N 2.95Å; T500-H502 PolarHBondContact O-N 3.11Å; H502-I504 HydrophobicContact CB-CD1 3.96Å; H502-I504 HydrophobicContact CB-CG1 3.94Å; H502-I504 WeakPolarHBondContact O-CG1 3.33Å; H502-I504 PolarHBondContact O-N 2.84Å; H502-V555 HydrophobicContact CB-CG1 3.89Å; H502-V555 WeakPolarHBondContact CD2-CG1 3.28Å
503N92Very high92.3Very high140 Ų14066.3 Ų66.375%0.74932%0.319SS*.THydrogen-bonded Turntrans52.336.4-179.4-67.1-30.4000113.5L499 T500L499-N503 PolarHBondContact O-N 3.32Å; T500-N503 PolarHBondContact O-N 3.44Å; T500-N503 VanDerWaalsContact O-N 3.13Å; T500-N503 PolarHBondContact O-OD1 3.44Å
504I91.5Very high91.9Very high8 Ų865 Ų654%0.04131%0.309CS..  trans-94.5115.6-179.9-59.8-178.6000108.8L499 H502 Q506 V555 L558 K559L499-I504 HydrophobicContact CD2-CB 3.65Å; L499-I504 HydrophobicContact CD2-CG2 3.46Å; L499-I504 VanDerWaalsContact CD2-CG2 3.46Å; L499-I504 PolarHBondContact O-N 3.07Å; H502-I504 HydrophobicContact CB-CD1 3.96Å; H502-I504 HydrophobicContact CB-CG1 3.94Å; H502-I504 WeakPolarHBondContact O-CG1 3.33Å; H502-I504 PolarHBondContact O-N 2.84Å; I504-Q506 PolarHBondContact O-N 3.39Å; I504-V555 HydrophobicContact CD1-CG1 3.9Å; I504-L558 HydrophobicContact CD1-CB 4.48Å; I504-L558 HydrophobicContact CD1-CD2 4.19Å; I504-L558 HydrophobicContact CD1-CG 4.5Å; I504-L558 HydrophobicContact CG2-CD2 3.5Å; I504-L558 HydrophobicContact CG2-CG 4.11Å; I504-K559 HydrophobicContact CD1-CG 4.31Å; I504-K559 HydrophobicContact CG1-CG 4.48Å
505S90.6Very high91.7Very high60 Ų6070.3 Ų70.342%0.4233%0.327SS..  trans-65.5137.1179.173.50000112R507 Q508 F509S505-R507 PolarHBondContact O-N 2.84Å; S505-Q508 PolarHBondContact O-N 3.35Å; S505-Q508 WeakPolarHBondContact OG-CB 3.4Å; S505-Q508 PolarHBondContact OG-N 2.98Å; S505-F509 PolarHBondContact O-N 2.89Å; S505-F509 VanDerWaalsContact O-N 3.1Å
506Q92Very high91.3Very high60 Ų6072 Ų7228%0.2834%0.336SS..Hα-helixtrans-55.6-25173.9-65.8-177.714.700112.7L499 I504 S510 Q518L499-Q506 HydrophobicContact CD1-CG 4.07Å; I504-Q506 PolarHBondContact O-N 3.39Å; Q506-S510 VanDerWaalsContact O-CB 3.24Å; Q506-S510 WeakPolarHBondContact O-CB 3.19Å; Q506-S510 PolarHBondContact O-N 3.42Å; Q506-S510 PolarHBondContact O-OG 3.07Å; Q506-Q518 HydrophobicContact CB-CG 4.39Å
507R91.1Very high91Very high191 Ų19170.4 Ų70.472%0.72134%0.34SS*.Hα-helixtrans-68.7-42.6175.2-169.4-179.3-175-1732.3112.5S505 S510 R511 Q518S505-R507 PolarHBondContact O-N 2.84Å; R507-S510 PolarHBondContact O-OG 3.1Å; R507-R511 WeakPolarHBondContact O-CB 3.34Å; R507-R511 PolarHBondContact O-N 3.43Å; R507-Q518 HydrophobicContact CB-CB 4.35Å; R507-Q518 HydrophobicContact CB-CG 4.15Å; R507-Q518 HydrophobicContact CG-CB 4.45Å
508Q89.1Confident90.8Very high24 Ų2470.6 Ų70.611%0.11234%0.338CS..Hα-helixtrans-68.9-45.1176.4-173.473.9-33.500110.2S505 R511 H512 L558 T561S505-Q508 PolarHBondContact O-N 3.35Å; S505-Q508 WeakPolarHBondContact OG-CB 3.4Å; S505-Q508 PolarHBondContact OG-N 2.98Å; Q508-R511 PolarHBondContact O-N 3.47Å; Q508-H512 PolarHBondContact O-CD2 2.87Å; Q508-H512 PolarHBondContact O-N 3.2Å; Q508-H512 PolarHBondContact OE1-NE2 3.3Å; Q508-L558 HydrophobicContact CG-CD1 4.04Å; Q508-T561 PolarHBondContact NE2-O 3.15Å
509F93.8Very high90.6Very high0 Ų070.6 Ų70.60%035%0.348CS..Hα-helixtrans-60.5-53177.4-172.8-80.2000113.4V495 L499 S505 R511 H512 I513 L514 M521 L545 W548 L558V495-F509 HydrophobicContact CG1-CE1 4.48Å; V495-F509 HydrophobicContact CG1-CE2 4.41Å; V495-F509 HydrophobicContact CG1-CZ 4.11Å; L499-F509 HydrophobicContact CD1-CB 4.49Å; L499-F509 HydrophobicContact CD1-CD2 4.45Å; L499-F509 HydrophobicContact CD1-CG 4.34Å; L499-F509 HydrophobicContact CD2-CB 3.89Å; L499-F509 HydrophobicContact CD2-CD2 3.55Å; L499-F509 HydrophobicContact CD2-CE2 4.32Å; L499-F509 HydrophobicContact CD2-CG 3.94Å; L499-F509 HydrophobicContact CG-CD2 4.36Å; S505-F509 PolarHBondContact O-N 2.89Å; S505-F509 VanDerWaalsContact O-N 3.1Å; F509-R511 PolarHBondContact O-N 2.82Å; F509-H512 PolarHBondContact O-N 3.08Å; F509-I513 HydrophobicContact CD2-CD1 3.49Å; F509-I513 VanDerWaalsContact CD2-CD1 3.49Å; F509-I513 HydrophobicContact CE1-CB 4.3Å; F509-I513 HydrophobicContact CE1-CD1 4.42Å; F509-I513 HydrophobicContact CE1-CG2 4.22Å; F509-I513 HydrophobicContact CE2-CD1 3.44Å; F509-I513 VanDerWaalsContact CE2-CD1 3.44Å; F509-I513 HydrophobicContact CG-CD1 4.09Å; F509-I513 HydrophobicContact CZ-CB 4.37Å; F509-I513 HydrophobicContact CZ-CD1 3.92Å; F509-I513 HydrophobicContact CZ-CG2 4.08Å; F509-I513 PolarHBondContact O-N 3.29Å; F509-I513 VanDerWaalsContact O-N 3.08Å; F509-L514 HydrophobicContact CD1-CG 4.49Å; F509-L514 HydrophobicContact CE1-CD1 4.06Å; F509-L514 HydrophobicContact CE1-CG 3.9Å; F509-M521 HydrophobicContact CD1-CE 3.6Å; F509-M521 HydrophobicContact CE1-CE 3.53Å; F509-M521 HydrophobicContact CZ-CE 4.46Å; F509-L545 HydrophobicContact CE1-CD2 3.45Å; F509-L545 VanDerWaalsContact CE1-CD2 3.45Å; F509-L545 HydrophobicContact CZ-CD2 3.51Å; F509-W548 HydrophobicContact CD2-CH2 4.38Å; F509-W548 HydrophobicContact CD2-CZ2 4.18Å; F509-W548 AromaticContact CE2-CD2 3.45Å; F509-W548 HydrophobicContact CE2-CD2 3.45Å; F509-W548 VanDerWaalsContact CE2-CD2 3.45Å; F509-W548 AromaticContact CE2-CE2 3.52Å; F509-W548 AromaticContact CE2-CE3 3.56Å; F509-W548 HydrophobicContact CE2-CE3 3.56Å; F509-W548 HydrophobicContact CE2-CG 4.09Å; F509-W548 AromaticContact CE2-CH2 3.79Å; F509-W548 HydrophobicContact CE2-CH2 3.79Å; F509-W548 AromaticContact CE2-CZ2 3.7Å; F509-W548 HydrophobicContact CE2-CZ2 3.7Å; F509-W548 AromaticContact CE2-CZ3 3.71Å; F509-W548 HydrophobicContact CE2-CZ3 3.71Å; F509-W548 AromaticContact CZ-CD2 3.93Å; F509-W548 HydrophobicContact CZ-CD2 3.93Å; F509-W548 AromaticContact CZ-CE3 3.91Å; F509-W548 HydrophobicContact CZ-CE3 3.91Å; F509-W548 HydrophobicContact CZ-CG 4.26Å; F509-W548 HydrophobicContact CZ-CZ3 4.37Å; F509-L558 HydrophobicContact CB-CD2 4.35Å; F509-L558 HydrophobicContact CD2-CD2 3.86Å
510S92.9Very high90.4Very high3 Ų373.5 Ų73.52%0.02137%0.366CS..Iπ-helixtrans-61.7-32.3-177.2580000112.5Q506 R507 K515 L516 Q518Q506-S510 VanDerWaalsContact O-CB 3.24Å; Q506-S510 WeakPolarHBondContact O-CB 3.19Å; Q506-S510 PolarHBondContact O-N 3.42Å; Q506-S510 PolarHBondContact O-OG 3.07Å; R507-S510 PolarHBondContact O-OG 3.1Å; S510-K515 WeakPolarHBondContact O-CA 3.22Å; S510-K515 PolarHBondContact O-N 2.92Å; S510-L516 CarbonylContact C-O 3.53Å; S510-L516 PolarHBondContact O-N 3.02Å; S510-Q518 WeakPolarHBondContact OG-CA 3.36Å
511R88.9Confident90.4Very high174 Ų17468.6 Ų68.666%0.65734%0.336SS*.Iπ-helixtrans-69.6-50.2177.9-174173-172.61564.2112.9R507 Q508 F509R507-R511 WeakPolarHBondContact O-CB 3.34Å; R507-R511 PolarHBondContact O-N 3.43Å; Q508-R511 PolarHBondContact O-N 3.47Å; F509-R511 PolarHBondContact O-N 2.82Å
512H86.1Confident90.5Very high54 Ų5462.8 Ų62.825%0.2532%0.316CS..Iπ-helixtrans-85.7-44.5-170.4-60.1-50.2000113.1Q508 F509 L558Q508-H512 PolarHBondContact O-CD2 2.87Å; Q508-H512 PolarHBondContact O-N 3.2Å; Q508-H512 PolarHBondContact OE1-NE2 3.3Å; F509-H512 PolarHBondContact O-N 3.08Å; H512-L558 HydrophobicContact CB-CD1 4.25Å
513I88.5Confident90.6Very high40 Ų4065.6 Ų65.621%0.20533%0.329CS..Iπ-helixtrans-89.9-62.3-171.5-66.8153.1000111.4F509 W548 L558F509-I513 HydrophobicContact CD2-CD1 3.49Å; F509-I513 VanDerWaalsContact CD2-CD1 3.49Å; F509-I513 HydrophobicContact CE1-CB 4.3Å; F509-I513 HydrophobicContact CE1-CD1 4.42Å; F509-I513 HydrophobicContact CE1-CG2 4.22Å; F509-I513 HydrophobicContact CE2-CD1 3.44Å; F509-I513 VanDerWaalsContact CE2-CD1 3.44Å; F509-I513 HydrophobicContact CG-CD1 4.09Å; F509-I513 HydrophobicContact CZ-CB 4.37Å; F509-I513 HydrophobicContact CZ-CD1 3.92Å; F509-I513 HydrophobicContact CZ-CG2 4.08Å; F509-I513 PolarHBondContact O-N 3.29Å; F509-I513 VanDerWaalsContact O-N 3.08Å; I513-W548 HydrophobicContact CD1-CD2 4.35Å; I513-W548 HydrophobicContact CD1-CG 4.02Å; I513-W548 VanDerWaalsContact CD1-NE1 3.28Å; I513-W548 HydrophobicContact CG2-CB 4.3Å; I513-W548 HydrophobicContact CG2-CG 4.4Å; I513-L558 HydrophobicContact CD1-CD2 3.76Å
514L88.8Confident90.7Very high2 Ų260.1 Ų60.11%0.0130%0.3CS..Iπ-helixtrans-77.8-27.6-175.2-65.8-176.4000113.5F509 L516 M521 S541 R544 L545F509-L514 HydrophobicContact CD1-CG 4.49Å; F509-L514 HydrophobicContact CE1-CD1 4.06Å; F509-L514 HydrophobicContact CE1-CG 3.9Å; L514-L516 HydrophobicContact CB-CB 4.26Å; L514-L516 HydrophobicContact CB-CD1 4.02Å; L514-L516 HydrophobicContact CB-CG 3.94Å; L514-L516 HydrophobicContact CD1-CD1 4.1Å; L514-M521 HydrophobicContact CD1-CE 3.85Å; L514-M521 HydrophobicContact CD1-CG 4.35Å; L514-M521 HydrophobicContact CD1-SD 3.32Å; L514-M521 WeakPolarHBondContact CD1-SD 3.45Å; L514-S541 WeakPolarHBondContact CD2-O 3.42Å; L514-R544 HydrophobicContact CD2-CB 3.59Å; L514-R544 PolarHBondContact O-NH1 2.91Å; L514-L545 HydrophobicContact CD1-CD2 3.91Å; L514-L545 HydrophobicContact CD1-CG 4.38Å; L514-L545 HydrophobicContact CD2-CD2 3.99Å; L514-L545 HydrophobicContact CD2-CG 4.2Å; L514-L545 HydrophobicContact CG-CD2 4.2Å
515K89.9Confident90.8Very high163 Ų16359.8 Ų59.871%0.70930%0.298SS*.  trans60.446.1-172.4-53.5177.9-175.9178.10110.9S510S510-K515 WeakPolarHBondContact O-CA 3.22Å; S510-K515 PolarHBondContact O-N 2.92Å
516L89.1Confident90.9Very high36 Ų3660.3 Ų60.319%0.18830%0.302CS..  trans-121.1165.5179.6-66.8-179.1000111.2S510 L514 T520S510-L516 CarbonylContact C-O 3.53Å; S510-L516 PolarHBondContact O-N 3.02Å; L514-L516 HydrophobicContact CB-CB 4.26Å; L514-L516 HydrophobicContact CB-CD1 4.02Å; L514-L516 HydrophobicContact CB-CG 3.94Å; L514-L516 HydrophobicContact CD1-CD1 4.1Å; L516-T520 HydrophobicContact CD1-CG2 4.35Å
517S89.5Confident90.8Very high66 Ų6664.6 Ų64.646%0.46232%0.32SS..  trans-70.3150.7168.789.50000110.8G519 T520 M521S517-G519 VanDerWaalsContact C-N 3.27Å; S517-G519 PolarHBondContact O-N 2.88Å; S517-T520 PolarHBondContact O-N 3.28Å; S517-T520 PolarHBondContact OG-N 3.36Å; S517-T520 VanDerWaalsContact OG-N 3.08Å; S517-T520 PolarHBondContact OG-OG1 3.29Å; S517-M521 PolarHBondContact O-N 3.31Å
518Q89.5Confident90.8Very high96 Ų9656.4 Ų56.445%0.44929%0.291SS..Hα-helixtrans-62.8-33.6178172.2-88.4-16.700112.2Q506 R507 S510 M521 S522Q506-Q518 HydrophobicContact CB-CG 4.39Å; R507-Q518 HydrophobicContact CB-CB 4.35Å; R507-Q518 HydrophobicContact CB-CG 4.15Å; R507-Q518 HydrophobicContact CG-CB 4.45Å; S510-Q518 WeakPolarHBondContact OG-CA 3.36Å; Q518-M521 PolarHBondContact O-N 2.75Å; Q518-S522 WeakPolarHBondContact O-CB 3.37Å; Q518-S522 PolarHBondContact O-N 3.12Å
519G90.2Very high90.9Very high40 Ų4062.6 Ų62.641%0.41231%0.314SS..Hα-helixtrans-64.1-46.4172.200000112.7S517 M521 S522 E523S517-G519 VanDerWaalsContact C-N 3.27Å; S517-G519 PolarHBondContact O-N 2.88Å; G519-M521 VanDerWaalsContact C-N 3.28Å; G519-M521 PolarHBondContact O-N 3.35Å; G519-S522 PolarHBondContact O-N 2.88Å; G519-E523 PolarHBondContact O-N 3.23Å
520T90.5Very high90.7Very high68 Ų6864 Ų6442%0.41732%0.323SS..Hα-helixtrans-61.4-37.8176.2-47.30000111.9L516 S517 L524L516-T520 HydrophobicContact CD1-CG2 4.35Å; S517-T520 PolarHBondContact O-N 3.28Å; S517-T520 PolarHBondContact OG-N 3.36Å; S517-T520 VanDerWaalsContact OG-N 3.08Å; S517-T520 PolarHBondContact OG-OG1 3.29Å; T520-L524 WeakPolarHBondContact O-CB 3.15Å; T520-L524 PolarHBondContact O-N 3Å
521M92.7Very high90.6Very high0 Ų065.3 Ų65.30%033%0.327CS..Hα-helixtrans-70.2-42.5176.3177.548.5171.900112.2V495 F509 L514 S517 Q518 G519 E523 L524 L525 L545V495-M521 HydrophobicContact CG1-CE 3.96Å; F509-M521 HydrophobicContact CD1-CE 3.6Å; F509-M521 HydrophobicContact CE1-CE 3.53Å; F509-M521 HydrophobicContact CZ-CE 4.46Å; L514-M521 HydrophobicContact CD1-CE 3.85Å; L514-M521 HydrophobicContact CD1-CG 4.35Å; L514-M521 HydrophobicContact CD1-SD 3.32Å; L514-M521 WeakPolarHBondContact CD1-SD 3.45Å; S517-M521 PolarHBondContact O-N 3.31Å; Q518-M521 PolarHBondContact O-N 2.75Å; G519-M521 VanDerWaalsContact C-N 3.28Å; G519-M521 PolarHBondContact O-N 3.35Å; M521-E523 PolarHBondContact O-N 2.82Å; M521-L524 PolarHBondContact O-N 3.47Å; M521-L524 HydrophobicContact SD-CD2 4.41Å; M521-L525 HydrophobicContact CE-CD1 3.38Å; M521-L525 HydrophobicContact CE-CD2 3.87Å; M521-L525 HydrophobicContact CE-CG 3.55Å; M521-L525 HydrophobicContact CG-CD1 4.48Å; M521-L525 PolarHBondContact O-N 3.39Å; M521-L525 HydrophobicContact SD-CD1 4.13Å; M521-L525 HydrophobicContact SD-CD2 4.5Å; M521-L525 HydrophobicContact SD-CG 3.86Å; M521-L545 HydrophobicContact CE-CD2 3.87Å
522S94.2Very high90.6Very high43 Ų4364.7 Ų64.730%0.30133%0.326SS..Hα-helixtrans-61.4-41.9175.6-177.60000111.7Q518 G519 L525 S526Q518-S522 WeakPolarHBondContact O-CB 3.37Å; Q518-S522 PolarHBondContact O-N 3.12Å; G519-S522 PolarHBondContact O-N 2.88Å; S522-L525 PolarHBondContact O-N 2.96Å; S522-S526 VanDerWaalsContact O-CB 3.24Å; S522-S526 WeakPolarHBondContact O-CB 3.32Å; S522-S526 PolarHBondContact O-N 3.3Å; S522-S526 PolarHBondContact O-OG 3.21Å
523E92.2Very high90.8Very high110 Ų11070 Ų7051%0.51434%0.344SS..Hα-helixtrans-63.7-42.4173-172.2177.6-165.400112G519 M521 L525 S526 K527G519-E523 PolarHBondContact O-N 3.23Å; M521-E523 PolarHBondContact O-N 2.82Å; E523-L525 PolarHBondContact O-N 2.93Å; E523-S526 PolarHBondContact O-N 2.97Å; E523-K527 WeakPolarHBondContact O-CA 3.25Å; E523-K527 PolarHBondContact O-N 3.27Å
524L93.9Very high90.9Very high24 Ų2469.2 Ų69.213%0.12634%0.34CS..Hα-helixtrans-60.7-42.5178.3-172.5155.5000111.9T520 M521 Y542 L545T520-L524 WeakPolarHBondContact O-CB 3.15Å; T520-L524 PolarHBondContact O-N 3Å; M521-L524 PolarHBondContact O-N 3.47Å; M521-L524 HydrophobicContact SD-CD2 4.41Å; L524-Y542 HydrophobicContact CD1-CE2 4.01Å; L524-Y542 HydrophobicContact CD2-CE1 3.84Å; L524-Y542 HydrophobicContact CD2-CE2 3.93Å; L524-Y542 HydrophobicContact CG-CE2 3.79Å; L524-Y542 PolarHBondContact O-OH 3.3Å; L524-Y542 VanDerWaalsContact O-OH 3.06Å; L524-L545 HydrophobicContact CD2-CD1 3.58Å
525L93.6Very high91Very high1 Ų173.9 Ų73.91%0.00537%0.369CS..Hα-helixtrans-77.5-35.3178.6-72.2-178000114.3A492 V495 R496 L499 M521 S522 E523 L545A492-L525 HydrophobicContact CB-CD2 4.11Å; V495-L525 HydrophobicContact CB-CD2 3.91Å; V495-L525 HydrophobicContact CG1-CD1 4.18Å; V495-L525 HydrophobicContact CG1-CD2 3.86Å; R496-L525 HydrophobicContact CG-CB 3.98Å; R496-L525 HydrophobicContact CG-CD1 3.84Å; R496-L525 HydrophobicContact CG-CD2 4.38Å; R496-L525 HydrophobicContact CG-CG 4.3Å; R496-L525 PolarHBondContact NE-O 2.95Å; L499-L525 HydrophobicContact CD1-CD1 4.15Å; M521-L525 HydrophobicContact CE-CD1 3.38Å; M521-L525 HydrophobicContact CE-CD2 3.87Å; M521-L525 HydrophobicContact CE-CG 3.55Å; M521-L525 HydrophobicContact CG-CD1 4.48Å; M521-L525 PolarHBondContact O-N 3.39Å; M521-L525 HydrophobicContact SD-CD1 4.13Å; M521-L525 HydrophobicContact SD-CD2 4.5Å; M521-L525 HydrophobicContact SD-CG 3.86Å; S522-L525 PolarHBondContact O-N 2.96Å; E523-L525 PolarHBondContact O-N 2.93Å; L525-L545 HydrophobicContact CD2-CD1 4.18Å
526S92Very high90.7Very high72 Ų7269 Ų6950%0.50336%0.359SS..Hα-helixtrans-85.7-27.6-176.8610000113.6S522 E523 P528S522-S526 VanDerWaalsContact O-CB 3.24Å; S522-S526 WeakPolarHBondContact O-CB 3.32Å; S522-S526 PolarHBondContact O-N 3.3Å; S522-S526 PolarHBondContact O-OG 3.21Å; E523-S526 PolarHBondContact O-N 2.97Å; S526-P528 VanDerWaalsContact C-CD 3.42Å
527K90.4Very high90.5Very high149 Ų14976.4 Ų76.465%0.64838%0.384SS*.SBendtrans-131.956.2-178.7-61.9177.3-174.7172.50111.4E523 R529E523-K527 WeakPolarHBondContact O-CA 3.25Å; E523-K527 PolarHBondContact O-N 3.27Å; K527-R529 PolarHBondContact O-N 3.23Å
528P91.4Very high90.5Very high20 Ų2073.9 Ų73.913%0.1337%0.369CS..PPolyproline II helixtrans-57133.7179.523.7-34.3000111.6T488 F489 A492 S526 Y542T488-P528 WeakPolarHBondContact O-CB 3.23Å; F489-P528 HydrophobicContact CD1-CB 4.24Å; F489-P528 HydrophobicContact CD1-CG 3.61Å; F489-P528 HydrophobicContact CE1-CB 4.46Å; F489-P528 HydrophobicContact CE1-CG 3.99Å; F489-P528 VanDerWaalsContact CE1-O 3.28Å; F489-P528 WeakPolarHBondContact CE1-O 3.21Å; F489-P528 HydrophobicContact CG-CG 4.32Å; F489-P528 WeakPolarHBondContact CZ-O 3.3Å; A492-P528 HydrophobicContact CB-CB 3.8Å; A492-P528 HydrophobicContact CB-CG 3.88Å; S526-P528 VanDerWaalsContact C-CD 3.42Å; P528-Y542 VanDerWaalsContact CA-OH 3.28Å; P528-Y542 WeakPolarHBondContact CA-OH 3.47Å; P528-Y542 HydrophobicContact CB-CE1 4.47Å; P528-Y542 WeakPolarHBondContact CB-OH 3.45Å
529R90.9Very high90.7Very high154 Ų15472.7 Ų72.758%0.58136%0.36SS*.PPolyproline II helixtrans-100.7137.9176.8-64.4-178.1-179.5-126.1-0.7108.8T488 K527 L534T488-R529 WeakPolarHBondContact CB-O 3.37Å; T488-R529 PolarHBondContact OG1-O 3.49Å; K527-R529 PolarHBondContact O-N 3.23Å; R529-L534 HydrophobicContact CB-CD2 3.91Å
530P89.4Confident90.8Very high29 Ų2973.9 Ų73.919%0.18836%0.357CS..PPolyproline II helixtrans-58.9146.2-17924.9-33.8000111.4T488 F489 Y532 R533 L534T488-P530 WeakPolarHBondContact OG1-CA 3.38Å; F489-P530 HydrophobicContact CE2-CB 4.09Å; P530-Y532 VanDerWaalsContact C-N 3.26Å; P530-Y532 HydrophobicContact CB-CD1 4.09Å; P530-Y532 HydrophobicContact CB-CE1 3.55Å; P530-Y532 HydrophobicContact CG-CE1 4.06Å; P530-Y532 HydrophobicContact CG-CE2 4.27Å; P530-Y532 PolarHBondContact O-N 2.81Å; P530-R533 HydrophobicContact CG-CB 4.18Å; P530-R533 HydrophobicContact CG-CG 4.23Å; P530-R533 WeakPolarHBondContact O-CA 3.24Å; P530-R533 PolarHBondContact O-N 3.4Å; P530-L534 PolarHBondContact O-N 2.99Å
531W91.4Very high91Very high31 Ų3171.3 Ų71.312%0.11734%0.342CS..G310 helixtrans-43-43.6-172.9-175.5-111.4000115.8I483 P485 L486 T488 R533 L534 R539 R543I483-W531 HydrophobicContact CG2-CZ2 4.09Å; P485-W531 VanDerWaalsContact CA-CD1 3.49Å; P485-W531 HydrophobicContact CB-CG 4.29Å; L486-W531 HydrophobicContact CB-CD2 4.31Å; L486-W531 HydrophobicContact CB-CE3 3.91Å; L486-W531 HydrophobicContact CB-CH2 4.37Å; L486-W531 HydrophobicContact CB-CZ3 3.97Å; L486-W531 HydrophobicContact CD1-CH2 3.72Å; L486-W531 HydrophobicContact CD1-CZ2 4.49Å; L486-W531 HydrophobicContact CD1-CZ3 3.77Å; L486-W531 HydrophobicContact CG-CH2 4.14Å; L486-W531 HydrophobicContact CG-CZ2 4.48Å; L486-W531 HydrophobicContact CG-CZ3 4.19Å; T488-W531 HydrophobicContact CG2-CB 4.24Å; T488-W531 HydrophobicContact CG2-CE3 4.13Å; W531-R533 VanDerWaalsContact C-N 3.33Å; W531-R533 PolarHBondContact O-N 3.39Å; W531-L534 HydrophobicContact CE3-CD1 4.27Å; W531-L534 PolarHBondContact O-N 2.81Å; W531-R539 HydrophobicContact CD2-CG 3.85Å; W531-R539 HydrophobicContact CE3-CB 4.16Å; W531-R539 HydrophobicContact CE3-CG 3.66Å; W531-R539 HydrophobicContact CH2-CB 3.64Å; W531-R539 HydrophobicContact CH2-CG 3.87Å; W531-R539 HydrophobicContact CZ2-CB 4.19Å; W531-R539 VanDerWaalsContact CZ2-CD 3.48Å; W531-R539 HydrophobicContact CZ2-CG 4.05Å; W531-R539 HydrophobicContact CZ3-CB 3.61Å; W531-R539 HydrophobicContact CZ3-CG 3.65Å; W531-R539 PolarHBondContact O-NH1 3.09Å; W531-R543 HydrophobicContact CH2-CG 3.94Å
532Y89.3Confident91.1Very high160 Ų16071.5 Ų71.563%0.62734%0.343SS*.G310 helixtrans-73.2-19-179.458.2-91000114P530P530-Y532 VanDerWaalsContact C-N 3.26Å; P530-Y532 HydrophobicContact CB-CD1 4.09Å; P530-Y532 HydrophobicContact CB-CE1 3.55Å; P530-Y532 HydrophobicContact CG-CE1 4.06Å; P530-Y532 HydrophobicContact CG-CE2 4.27Å; P530-Y532 PolarHBondContact O-N 2.81Å
533R89.4Confident91.1Very high166 Ų16673.1 Ų73.163%0.62634%0.342SS*.G310 helixtrans-96.84.8173.3-68.6-173.8174.1178.1-1.1113.8P530 W531P530-R533 HydrophobicContact CG-CB 4.18Å; P530-R533 HydrophobicContact CG-CG 4.23Å; P530-R533 WeakPolarHBondContact O-CA 3.24Å; P530-R533 PolarHBondContact O-N 3.4Å; W531-R533 VanDerWaalsContact C-N 3.33Å; W531-R533 PolarHBondContact O-N 3.39Å
534L89.5Confident91.2Very high24 Ų2473.9 Ų73.913%0.12634%0.341CS..SBendtrans-83.9150170.3-67.1174.9000111T488 R529 P530 W531 R539 Y542T488-L534 HydrophobicContact CG2-CD1 3.73Å; R529-L534 HydrophobicContact CB-CD2 3.91Å; P530-L534 PolarHBondContact O-N 2.99Å; W531-L534 HydrophobicContact CE3-CD1 4.27Å; W531-L534 PolarHBondContact O-N 2.81Å; L534-R539 HydrophobicContact CB-CG 3.78Å; L534-R539 HydrophobicContact CD1-CG 4.09Å; L534-R539 PolarHBondContact O-NH1 2.8Å; L534-Y542 HydrophobicContact CD1-CD2 3.41Å; L534-Y542 VanDerWaalsContact CD1-CD2 3.41Å; L534-Y542 HydrophobicContact CD1-CE2 3.64Å; L534-Y542 HydrophobicContact CD1-CG 4.28Å; L534-Y542 HydrophobicContact CD2-CD2 4.47Å; L534-Y542 HydrophobicContact CD2-CE2 3.98Å; L534-Y542 HydrophobicContact CG-CE2 4.48Å
535T91Very high91.2Very high100 Ų10072.8 Ų72.861%0.61334%0.335SS*.  trans-72.1165.9161.361.40000109.7R537 G538 R539T535-R537 VanDerWaalsContact C-N 3.3Å; T535-R537 PolarHBondContact O-N 2.91Å; T535-G538 CarbonylContact O-C 3.13Å; T535-G538 WeakPolarHBondContact O-CA 3.46Å; T535-G538 PolarHBondContact O-N 3.2Å; T535-G538 PolarHBondContact OG1-N 3.26Å; T535-G538 VanDerWaalsContact OG1-N 3.17Å; T535-R539 PolarHBondContact O-N 2.93Å
536A85.3Confident91.2Very high60 Ų6076.5 Ų76.550%0.49635%0.352SS..Hα-helixtrans-52.7-47.9175.100000112.1G538 R539 D540A536-G538 VanDerWaalsContact C-N 3.27Å; A536-G538 PolarHBondContact O-N 2.77Å; A536-R539 WeakPolarHBondContact O-CB 3.21Å; A536-R539 PolarHBondContact O-N 2.67Å; A536-R539 VanDerWaalsContact O-N 3.08Å; A536-D540 VanDerWaalsContact O-CG 3.31Å; A536-D540 PolarHBondContact O-N 3.3Å
537R83.3Confident91.2Very high191 Ų19176 Ų7672%0.72135%0.353SS*.Hα-helixtrans-62.8-30.4175-173.8176.2178.8179.8-0.2113.5T535 S541T535-R537 VanDerWaalsContact C-N 3.3Å; T535-R537 PolarHBondContact O-N 2.91Å; R537-S541 PolarHBondContact O-N 2.82Å; R537-S541 PolarHBondContact O-OG 3.39Å; R537-S541 VanDerWaalsContact O-OG 3.12Å
538G90Very high91.3Very high14 Ų1469.5 Ų69.514%0.14432%0.324CS..Hα-helixtrans-64.5-50.8169.700000111.3T535 A536 D540 S541 Y542T535-G538 CarbonylContact O-C 3.13Å; T535-G538 WeakPolarHBondContact O-CA 3.46Å; T535-G538 PolarHBondContact O-N 3.2Å; T535-G538 PolarHBondContact OG1-N 3.26Å; T535-G538 VanDerWaalsContact OG1-N 3.17Å; A536-G538 VanDerWaalsContact C-N 3.27Å; A536-G538 PolarHBondContact O-N 2.77Å; G538-D540 VanDerWaalsContact C-N 3.3Å; G538-D540 PolarHBondContact O-N 3.31Å; G538-S541 WeakPolarHBondContact O-CB 3.34Å; G538-S541 PolarHBondContact O-N 3.45Å; G538-Y542 WeakPolarHBondContact O-CD2 3.23Å; G538-Y542 PolarHBondContact O-N 2.8Å
539R94.2Very high91.4Very high70 Ų7070.7 Ų70.726%0.26433%0.329SS..Hα-helixtrans-57.8-39.6175.9-71.1-166.6-86.9-81.80.6112.6W531 L534 T535 A536 S541 Y542 R543W531-R539 HydrophobicContact CD2-CG 3.85Å; W531-R539 HydrophobicContact CE3-CB 4.16Å; W531-R539 HydrophobicContact CE3-CG 3.66Å; W531-R539 HydrophobicContact CH2-CB 3.64Å; W531-R539 HydrophobicContact CH2-CG 3.87Å; W531-R539 HydrophobicContact CZ2-CB 4.19Å; W531-R539 VanDerWaalsContact CZ2-CD 3.48Å; W531-R539 HydrophobicContact CZ2-CG 4.05Å; W531-R539 HydrophobicContact CZ3-CB 3.61Å; W531-R539 HydrophobicContact CZ3-CG 3.65Å; W531-R539 PolarHBondContact O-NH1 3.09Å; L534-R539 HydrophobicContact CB-CG 3.78Å; L534-R539 HydrophobicContact CD1-CG 4.09Å; L534-R539 PolarHBondContact O-NH1 2.8Å; T535-R539 PolarHBondContact O-N 2.93Å; A536-R539 WeakPolarHBondContact O-CB 3.21Å; A536-R539 PolarHBondContact O-N 2.67Å; A536-R539 VanDerWaalsContact O-N 3.08Å; R539-S541 PolarHBondContact O-N 3.5Å; R539-Y542 PolarHBondContact O-N 3.26Å; R539-Y542 VanDerWaalsContact O-N 3.15Å; R539-R543 PolarHBondContact O-N 2.82Å
540D92.6Very high91.4Very high65 Ų6567.5 Ų67.535%0.34833%0.33SS..Hα-helixtrans-60.2-31.5175.4-64.3-34.7000113.5A536 G538 R543 R544A536-D540 VanDerWaalsContact O-CG 3.31Å; A536-D540 PolarHBondContact O-N 3.3Å; G538-D540 VanDerWaalsContact C-N 3.3Å; G538-D540 PolarHBondContact O-N 3.31Å; D540-R543 IonicContact OD1-CZ 3.7Å; D540-R543 IonicContact OD1-NE 3.49Å; D540-R543 PolarHBondContact OD1-NE 3.42Å; D540-R543 IonicContact OD1-NH2 2.67Å; D540-R543 PolarHBondContact OD1-NH2 2.82Å; D540-R544 WeakPolarHBondContact O-CG 3.37Å; D540-R544 PolarHBondContact O-N 2.78Å; D540-R544 VanDerWaalsContact O-N 3.14Å
541S93.8Very high91.4Very high15 Ų1568.9 Ų68.911%0.10534%0.336CS..Hα-helixtrans-70-41176.5-56.40000111L514 R537 G538 R539 R544 L545L514-S541 WeakPolarHBondContact CD2-O 3.42Å; R537-S541 PolarHBondContact O-N 2.82Å; R537-S541 PolarHBondContact O-OG 3.39Å; R537-S541 VanDerWaalsContact O-OG 3.12Å; G538-S541 WeakPolarHBondContact O-CB 3.34Å; G538-S541 PolarHBondContact O-N 3.45Å; R539-S541 PolarHBondContact O-N 3.5Å; S541-R544 PolarHBondContact O-N 3.41Å; S541-L545 WeakPolarHBondContact O-CG 3.35Å; S541-L545 PolarHBondContact O-N 3.03Å
542Y95.9Very high91Very high4 Ų471.9 Ų71.92%0.01636%0.359CS..Hα-helixtrans-71.5-34.3175-75-88.5000113.3T488 I491 A492 L524 P528 L534 G538 R539 R544 L545 Q546T488-Y542 HydrophobicContact CG2-CD1 3.87Å; T488-Y542 HydrophobicContact CG2-CD2 4.17Å; T488-Y542 HydrophobicContact CG2-CE1 4.04Å; T488-Y542 HydrophobicContact CG2-CE2 4.35Å; T488-Y542 HydrophobicContact CG2-CG 3.93Å; T488-Y542 VanDerWaalsContact O-CE1 3.24Å; T488-Y542 WeakPolarHBondContact O-CE1 3.47Å; I491-Y542 HydrophobicContact CB-CD1 4.26Å; I491-Y542 HydrophobicContact CG2-CD1 3.9Å; A492-Y542 HydrophobicContact CB-CE1 4.37Å; L524-Y542 HydrophobicContact CD1-CE2 4.01Å; L524-Y542 HydrophobicContact CD2-CE1 3.84Å; L524-Y542 HydrophobicContact CD2-CE2 3.93Å; L524-Y542 HydrophobicContact CG-CE2 3.79Å; L524-Y542 PolarHBondContact O-OH 3.3Å; L524-Y542 VanDerWaalsContact O-OH 3.06Å; P528-Y542 VanDerWaalsContact CA-OH 3.28Å; P528-Y542 WeakPolarHBondContact CA-OH 3.47Å; P528-Y542 HydrophobicContact CB-CE1 4.47Å; P528-Y542 WeakPolarHBondContact CB-OH 3.45Å; L534-Y542 HydrophobicContact CD1-CD2 3.41Å; L534-Y542 VanDerWaalsContact CD1-CD2 3.41Å; L534-Y542 HydrophobicContact CD1-CE2 3.64Å; L534-Y542 HydrophobicContact CD1-CG 4.28Å; L534-Y542 HydrophobicContact CD2-CD2 4.47Å; L534-Y542 HydrophobicContact CD2-CE2 3.98Å; L534-Y542 HydrophobicContact CG-CE2 4.48Å; G538-Y542 WeakPolarHBondContact O-CD2 3.23Å; G538-Y542 PolarHBondContact O-N 2.8Å; R539-Y542 PolarHBondContact O-N 3.26Å; R539-Y542 VanDerWaalsContact O-N 3.15Å; Y542-R544 VanDerWaalsContact C-N 3.33Å; Y542-R544 PolarHBondContact O-N 3.4Å; Y542-L545 HydrophobicContact CD1-CD1 4.38Å; Y542-L545 PolarHBondContact O-N 2.82Å; Y542-Q546 PolarHBondContact O-N 2.88Å
543R94.4Very high90.8Very high77 Ų7768.9 Ų68.929%0.29135%0.354SS..Hα-helixtrans-59.9-42.3171-74.1-170.7-86.3-125.87.6111.9I483 L486 W531 R539 D540 Q546 A547I483-R543 VanDerWaalsContact CD1-NH1 3.3Å; L486-R543 HydrophobicContact CD1-CG 4.04Å; W531-R543 HydrophobicContact CH2-CG 3.94Å; R539-R543 PolarHBondContact O-N 2.82Å; D540-R543 IonicContact OD1-CZ 3.7Å; D540-R543 IonicContact OD1-NE 3.49Å; D540-R543 PolarHBondContact OD1-NE 3.42Å; D540-R543 IonicContact OD1-NH2 2.67Å; D540-R543 PolarHBondContact OD1-NH2 2.82Å; R543-Q546 PolarHBondContact O-N 3.22Å; R543-A547 WeakPolarHBondContact O-CB 3.3Å; R543-A547 PolarHBondContact O-N 2.9Å
544R93.3Very high90.8Very high126 Ų12663.5 Ų63.548%0.47534%0.338SS..Hα-helixtrans-67.8-34.7174.4-71.9178.4-174.5173.73.9113.3L514 D540 S541 Y542 W548L514-R544 HydrophobicContact CD2-CB 3.59Å; L514-R544 PolarHBondContact O-NH1 2.91Å; D540-R544 WeakPolarHBondContact O-CG 3.37Å; D540-R544 PolarHBondContact O-N 2.78Å; D540-R544 VanDerWaalsContact O-N 3.14Å; S541-R544 PolarHBondContact O-N 3.41Å; Y542-R544 VanDerWaalsContact C-N 3.33Å; Y542-R544 PolarHBondContact O-N 3.4Å; R544-W548 WeakPolarHBondContact O-CB 3.47Å; R544-W548 PolarHBondContact O-N 3.35Å; R544-W548 VanDerWaalsContact O-N 3.15Å
545L94.8Very high90.6Very high0 Ų062.7 Ų62.70%033%0.334CS..Hα-helixtrans-63.5-52171.7-73.7-172.9000111.1I491 V495 F509 L514 M521 L524 L525 S541 Y542 A547 W548 I549I491-L545 HydrophobicContact CG2-CB 3.47Å; I491-L545 VanDerWaalsContact CG2-CB 3.47Å; I491-L545 HydrophobicContact CG2-CD1 3.99Å; I491-L545 HydrophobicContact CG2-CG 4.39Å; V495-L545 HydrophobicContact CG1-CD2 4.02Å; V495-L545 HydrophobicContact CG2-CB 4.15Å; V495-L545 HydrophobicContact CG2-CD1 4.27Å; V495-L545 HydrophobicContact CG2-CD2 3.93Å; V495-L545 HydrophobicContact CG2-CG 4.34Å; F509-L545 HydrophobicContact CE1-CD2 3.45Å; F509-L545 VanDerWaalsContact CE1-CD2 3.45Å; F509-L545 HydrophobicContact CZ-CD2 3.51Å; L514-L545 HydrophobicContact CD1-CD2 3.91Å; L514-L545 HydrophobicContact CD1-CG 4.38Å; L514-L545 HydrophobicContact CD2-CD2 3.99Å; L514-L545 HydrophobicContact CD2-CG 4.2Å; L514-L545 HydrophobicContact CG-CD2 4.2Å; M521-L545 HydrophobicContact CE-CD2 3.87Å; L524-L545 HydrophobicContact CD2-CD1 3.58Å; L525-L545 HydrophobicContact CD2-CD1 4.18Å; S541-L545 WeakPolarHBondContact O-CG 3.35Å; S541-L545 PolarHBondContact O-N 3.03Å; Y542-L545 HydrophobicContact CD1-CD1 4.38Å; Y542-L545 PolarHBondContact O-N 2.82Å; L545-A547 PolarHBondContact O-N 3.42Å; L545-W548 PolarHBondContact O-N 3.24Å; L545-W548 VanDerWaalsContact O-N 3.15Å; L545-I549 VanDerWaalsContact O-CG1 3.24Å; L545-I549 WeakPolarHBondContact O-CG1 3.41Å; L545-I549 PolarHBondContact O-N 3.06Å
546Q93.6Very high90.3Very high79 Ų7961.7 Ų61.737%0.36933%0.325SS..Hα-helixtrans-57.5-49.2179-172-166.711.700111.9I491 Y542 R543 W548 I549 S550I491-Q546 HydrophobicContact CD1-CB 4.18Å; Y542-Q546 PolarHBondContact O-N 2.88Å; R543-Q546 PolarHBondContact O-N 3.22Å; Q546-W548 PolarHBondContact O-N 2.95Å; Q546-I549 PolarHBondContact O-N 2.93Å; Q546-I549 VanDerWaalsContact O-N 3.12Å; Q546-S550 WeakPolarHBondContact O-CB 3.38Å; Q546-S550 PolarHBondContact O-N 3.46Å; Q546-S550 PolarHBondContact O-OG 2.61Å
547A91.9Very high90.3Very high63 Ų6362 Ų6252%0.52132%0.323SS..Hα-helixtrans-59.8-33.4178.700000112.7R543 L545R543-A547 WeakPolarHBondContact O-CB 3.3Å; R543-A547 PolarHBondContact O-N 2.9Å; L545-A547 PolarHBondContact O-N 3.42Å
548W92.4Very high90.3Very high11 Ų1153.2 Ų53.24%0.04229%0.291CS..Hα-helixtrans-73.9-37.4174.2177.983000113.4V495 L498 F509 I513 R544 L545 Q546 S550 N554 V555V495-W548 HydrophobicContact CG2-CE3 4.43Å; V495-W548 HydrophobicContact CG2-CZ3 4.43Å; L498-W548 HydrophobicContact CB-CH2 3.99Å; L498-W548 HydrophobicContact CB-CZ3 4.07Å; L498-W548 HydrophobicContact CD1-CH2 4.22Å; L498-W548 HydrophobicContact CD1-CZ3 3.74Å; F509-W548 HydrophobicContact CD2-CH2 4.38Å; F509-W548 HydrophobicContact CD2-CZ2 4.18Å; F509-W548 AromaticContact CE2-CD2 3.45Å; F509-W548 HydrophobicContact CE2-CD2 3.45Å; F509-W548 VanDerWaalsContact CE2-CD2 3.45Å; F509-W548 AromaticContact CE2-CE2 3.52Å; F509-W548 AromaticContact CE2-CE3 3.56Å; F509-W548 HydrophobicContact CE2-CE3 3.56Å; F509-W548 HydrophobicContact CE2-CG 4.09Å; F509-W548 AromaticContact CE2-CH2 3.79Å; F509-W548 HydrophobicContact CE2-CH2 3.79Å; F509-W548 AromaticContact CE2-CZ2 3.7Å; F509-W548 HydrophobicContact CE2-CZ2 3.7Å; F509-W548 AromaticContact CE2-CZ3 3.71Å; F509-W548 HydrophobicContact CE2-CZ3 3.71Å; F509-W548 AromaticContact CZ-CD2 3.93Å; F509-W548 HydrophobicContact CZ-CD2 3.93Å; F509-W548 AromaticContact CZ-CE3 3.91Å; F509-W548 HydrophobicContact CZ-CE3 3.91Å; F509-W548 HydrophobicContact CZ-CG 4.26Å; F509-W548 HydrophobicContact CZ-CZ3 4.37Å; I513-W548 HydrophobicContact CD1-CD2 4.35Å; I513-W548 HydrophobicContact CD1-CG 4.02Å; I513-W548 VanDerWaalsContact CD1-NE1 3.28Å; I513-W548 HydrophobicContact CG2-CB 4.3Å; I513-W548 HydrophobicContact CG2-CG 4.4Å; R544-W548 WeakPolarHBondContact O-CB 3.47Å; R544-W548 PolarHBondContact O-N 3.35Å; R544-W548 VanDerWaalsContact O-N 3.15Å; L545-W548 PolarHBondContact O-N 3.24Å; L545-W548 VanDerWaalsContact O-N 3.15Å; Q546-W548 PolarHBondContact O-N 2.95Å; W548-S550 VanDerWaalsContact C-N 3.26Å; W548-S550 PolarHBondContact O-N 3.31Å; W548-N554 HydrophobicContact CG-CB 4.22Å; W548-V555 HydrophobicContact CH2-CG2 4.03Å; W548-V555 HydrophobicContact CZ2-CG2 3.8Å
549I93.7Very high90Very high46 Ų4656.1 Ų56.124%0.23630%0.299CS..Hα-helixtrans-65.1-33.6174.4-61158.8000110.8I491 T494 V495 L498 L545 Q546 D551I491-I549 HydrophobicContact CB-CD1 4.48Å; I491-I549 HydrophobicContact CG2-CD1 3.98Å; T494-I549 HydrophobicContact CG2-CG2 3.8Å; V495-I549 HydrophobicContact CG2-CD1 3.52Å; V495-I549 HydrophobicContact CG2-CG1 3.62Å; L498-I549 HydrophobicContact CD1-CG1 4.36Å; L498-I549 HydrophobicContact CD1-CG2 4.22Å; L545-I549 VanDerWaalsContact O-CG1 3.24Å; L545-I549 WeakPolarHBondContact O-CG1 3.41Å; L545-I549 PolarHBondContact O-N 3.06Å; Q546-I549 PolarHBondContact O-N 2.93Å; Q546-I549 VanDerWaalsContact O-N 3.12Å; I549-D551 VanDerWaalsContact C-N 3.28Å; I549-D551 PolarHBondContact O-N 2.91Å
550S90.6Very high89.2Confident87 Ų8757.6 Ų57.661%0.60831%0.312SS*.THydrogen-bonded Turntrans-67.7-23.5-170.4-58.80000114.1Q546 W548Q546-S550 WeakPolarHBondContact O-CB 3.38Å; Q546-S550 PolarHBondContact O-N 3.46Å; Q546-S550 PolarHBondContact O-OG 2.61Å; W548-S550 VanDerWaalsContact C-N 3.26Å; W548-S550 PolarHBondContact O-N 3.31Å
551D88.3Confident88.4Confident58 Ų5856.9 Ų56.931%0.3131%0.311SS..  trans-122.1114.7173.8158.641000110.1I549 N553 N554I549-D551 VanDerWaalsContact C-N 3.28Å; I549-D551 PolarHBondContact O-N 2.91Å; D551-N553 PolarHBondContact O-N 3.2Å; D551-N553 VanDerWaalsContact OD1-CB 3.25Å; D551-N553 WeakPolarHBondContact OD1-CB 3.49Å; D551-N553 PolarHBondContact OD1-N 3.48Å; D551-N553 PolarHBondContact OD1-ND2 3.25Å; D551-N554 VanDerWaalsContact CB-ND2 3.33Å; D551-N554 WeakPolarHBondContact CB-ND2 3.43Å; D551-N554 PolarHBondContact O-N 2.86Å; D551-N554 PolarHBondContact O-ND2 3.3Å; D551-N554 PolarHBondContact OD2-ND2 3.04Å
552P82.9Confident87.2Confident94 Ų9459.2 Ų59.261%0.6132%0.32SS*.THydrogen-bonded Turntrans-66.8-20.4-177.828.8-35.6000113.1N554 V555P552-N554 PolarHBondContact O-N 3.29Å; P552-V555 VanDerWaalsContact O-CB 3.31Å; P552-V555 WeakPolarHBondContact O-CB 3.21Å; P552-V555 PolarHBondContact O-N 2.93Å; P552-V555 VanDerWaalsContact O-N 3.1Å
553N86.5Confident85.4Confident97 Ų9767.9 Ų67.952%0.51935%0.352SS..Hα-helixtrans-63.3-29.7179.3-62.6-67.6000111.9D551 V555 N556 S557D551-N553 PolarHBondContact O-N 3.2Å; D551-N553 VanDerWaalsContact OD1-CB 3.25Å; D551-N553 WeakPolarHBondContact OD1-CB 3.49Å; D551-N553 PolarHBondContact OD1-N 3.48Å; D551-N553 PolarHBondContact OD1-ND2 3.25Å; N553-V555 PolarHBondContact O-N 3.07Å; N553-V555 VanDerWaalsContact O-N 3.1Å; N553-N556 WeakPolarHBondContact O-CA 3.4Å; N553-N556 WeakPolarHBondContact O-CB 3.39Å; N553-N556 PolarHBondContact O-N 2.86Å; N553-S557 PolarHBondContact O-N 2.58Å; N553-S557 PolarHBondContact O-OG 2.89Å; N553-S557 VanDerWaalsContact O-OG 3.1Å
554N88.1Confident83.4Confident53 Ų5373 Ų7328%0.28337%0.372SS..Hα-helixtrans-57.9-25.1175.2-64.7-75000114W548 D551 P552 L558W548-N554 HydrophobicContact CG-CB 4.22Å; D551-N554 VanDerWaalsContact CB-ND2 3.33Å; D551-N554 WeakPolarHBondContact CB-ND2 3.43Å; D551-N554 PolarHBondContact O-N 2.86Å; D551-N554 PolarHBondContact O-ND2 3.3Å; D551-N554 PolarHBondContact OD2-ND2 3.04Å; P552-N554 PolarHBondContact O-N 3.29Å; N554-L558 WeakPolarHBondContact O-CB 3.08Å; N554-L558 PolarHBondContact O-N 3.1Å
555V87.3Confident81.5Confident7 Ų771.9 Ų71.94%0.04237%0.368CS..Hα-helixtrans-64.9-48.2171.6175.90000109.7H502 I504 W548 P552 N553 L558 K559H502-V555 HydrophobicContact CB-CG1 3.89Å; H502-V555 WeakPolarHBondContact CD2-CG1 3.28Å; I504-V555 HydrophobicContact CD1-CG1 3.9Å; W548-V555 HydrophobicContact CH2-CG2 4.03Å; W548-V555 HydrophobicContact CZ2-CG2 3.8Å; P552-V555 VanDerWaalsContact O-CB 3.31Å; P552-V555 WeakPolarHBondContact O-CB 3.21Å; P552-V555 PolarHBondContact O-N 2.93Å; P552-V555 VanDerWaalsContact O-N 3.1Å; N553-V555 PolarHBondContact O-N 3.07Å; N553-V555 VanDerWaalsContact O-N 3.1Å; V555-L558 PolarHBondContact O-N 2.82Å; V555-K559 WeakPolarHBondContact O-CG 3.44Å; V555-K559 PolarHBondContact O-N 2.8Å
556N84.2Confident79.3Confident78 Ų7876.7 Ų76.742%0.41739%0.393SS..Hα-helixtrans-69.9-40.5-178.1-65.7-23.6000111.2N553 L558 K559 N560N553-N556 WeakPolarHBondContact O-CA 3.4Å; N553-N556 WeakPolarHBondContact O-CB 3.39Å; N553-N556 PolarHBondContact O-N 2.86Å; N556-L558 PolarHBondContact O-N 3.43Å; N556-K559 PolarHBondContact O-N 3.31Å; N556-N560 WeakPolarHBondContact O-CB 3.31Å; N556-N560 PolarHBondContact O-N 3.13Å; N556-N560 PolarHBondContact O-OD1 2.9Å
557S85Confident76.8Confident66 Ų6677.5 Ų77.546%0.46240%0.397SS..Hα-helixtrans-56.7-39.2171.6-44.50000112.1N553 T561N553-S557 PolarHBondContact O-N 2.58Å; N553-S557 PolarHBondContact O-OG 2.89Å; N553-S557 VanDerWaalsContact O-OG 3.1Å; S557-T561 WeakPolarHBondContact O-CB 3.21Å; S557-T561 PolarHBondContact O-N 3.34Å; S557-T561 PolarHBondContact O-OG1 2.99Å
558L83.6Confident74.8Confident8 Ų878.5 Ų78.54%0.04240%0.397CS..Hα-helixtrans-74.8-36.5178.6-170.160.9000112.7I504 Q508 F509 H512 I513 N554 V555 N556 T561 Q562I504-L558 HydrophobicContact CD1-CB 4.48Å; I504-L558 HydrophobicContact CD1-CD2 4.19Å; I504-L558 HydrophobicContact CD1-CG 4.5Å; I504-L558 HydrophobicContact CG2-CD2 3.5Å; I504-L558 HydrophobicContact CG2-CG 4.11Å; Q508-L558 HydrophobicContact CG-CD1 4.04Å; F509-L558 HydrophobicContact CB-CD2 4.35Å; F509-L558 HydrophobicContact CD2-CD2 3.86Å; H512-L558 HydrophobicContact CB-CD1 4.25Å; I513-L558 HydrophobicContact CD1-CD2 3.76Å; N554-L558 WeakPolarHBondContact O-CB 3.08Å; N554-L558 PolarHBondContact O-N 3.1Å; V555-L558 PolarHBondContact O-N 2.82Å; N556-L558 PolarHBondContact O-N 3.43Å; L558-T561 WeakPolarHBondContact O-CB 3.16Å; L558-T561 PolarHBondContact O-N 2.87Å; L558-Q562 PolarHBondContact O-N 3.47Å; L558-Q562 VanDerWaalsContact O-N 3.12Å
559K82.4Confident72.3Confident74 Ų7483.6 Ų83.632%0.32243%0.425SS..Hα-helixtrans-61.4-44.7169.5-74.7179.4179.3176.90111.9I504 V555 N556 T561 Q562 R563I504-K559 HydrophobicContact CD1-CG 4.31Å; I504-K559 HydrophobicContact CG1-CG 4.48Å; V555-K559 WeakPolarHBondContact O-CG 3.44Å; V555-K559 PolarHBondContact O-N 2.8Å; N556-K559 PolarHBondContact O-N 3.31Å; K559-T561 VanDerWaalsContact C-N 3.28Å; K559-T561 PolarHBondContact O-N 3.29Å; K559-Q562 CarbonylContact O-C 3.27Å; K559-Q562 WeakPolarHBondContact O-CA 3.33Å; K559-Q562 WeakPolarHBondContact O-CB 3.46Å; K559-Q562 PolarHBondContact O-N 3.27Å; K559-R563 PolarHBondContact O-N 3.41Å
560N78.3Confident69.5Low101 Ų10188 Ų8854%0.5444%0.444SS..Hα-helixtrans-65.6-35.3178.4-65.6-2.1000110.9N556 Q562 R563 R564N556-N560 WeakPolarHBondContact O-CB 3.31Å; N556-N560 PolarHBondContact O-N 3.13Å; N556-N560 PolarHBondContact O-OD1 2.9Å; N560-Q562 PolarHBondContact O-N 3.14Å; N560-R563 PolarHBondContact O-N 2.64Å; N560-R564 WeakPolarHBondContact O-CB 3.42Å; N560-R564 WeakPolarHBondContact O-CG 3.46Å; N560-R564 PolarHBondContact O-N 3.16Å
561T75.7Confident66.7Low51 Ų5188.8 Ų88.831%0.31345%0.45SS..Hα-helixtrans-68.1-14.3170.5-570000113.7Q508 S557 L558 K559 R565Q508-T561 PolarHBondContact NE2-O 3.15Å; S557-T561 WeakPolarHBondContact O-CB 3.21Å; S557-T561 PolarHBondContact O-N 3.34Å; S557-T561 PolarHBondContact O-OG1 2.99Å; L558-T561 WeakPolarHBondContact O-CB 3.16Å; L558-T561 PolarHBondContact O-N 2.87Å; K559-T561 VanDerWaalsContact C-N 3.28Å; K559-T561 PolarHBondContact O-N 3.29Å; T561-R565 PolarHBondContact O-NH1 3.38Å; T561-R565 VanDerWaalsContact O-NH1 3.13Å
562Q67.7Low64Low64 Ų6489.3 Ų89.330%0.29946%0.462SS..Hα-helixtrans-88.4-50.2171-161.8163.5-71.700110.8L558 K559 N560 R565 N566L558-Q562 PolarHBondContact O-N 3.47Å; L558-Q562 VanDerWaalsContact O-N 3.12Å; K559-Q562 CarbonylContact O-C 3.27Å; K559-Q562 WeakPolarHBondContact O-CA 3.33Å; K559-Q562 WeakPolarHBondContact O-CB 3.46Å; K559-Q562 PolarHBondContact O-N 3.27Å; N560-Q562 PolarHBondContact O-N 3.14Å; Q562-R565 WeakPolarHBondContact O-CB 3.09Å; Q562-R565 PolarHBondContact O-N 3.46Å; Q562-R565 VanDerWaalsContact O-N 3.09Å; Q562-N566 PolarHBondContact O-N 2.76Å
563R58.6Low61.4Low185 Ų18590.5 Ų90.570%0.69847%0.471SS*.Hα-helixtrans-56-51.6176-80.2-165.1173.7-156.3-0.6113.2K559 N560 R565 N566 E567K559-R563 PolarHBondContact O-N 3.41Å; N560-R563 PolarHBondContact O-N 2.64Å; R563-R565 PolarHBondContact O-N 3.16Å; R563-N566 PolarHBondContact O-N 2.8Å; R563-E567 VanDerWaalsContact C-OE1 3.31Å; R563-E567 PolarHBondContact O-N 2.8Å
564R52.7Low58.6Low184 Ų18494.4 Ų94.469%0.69449%0.487SS*.Hα-helixtrans-49.9-26.5174.8-74.6-79.7-155.8161.44.1113.9N560 E567 T568N560-R564 WeakPolarHBondContact O-CB 3.42Å; N560-R564 WeakPolarHBondContact O-CG 3.46Å; N560-R564 PolarHBondContact O-N 3.16Å; R564-E567 WeakPolarHBondContact CA-OE2 3.26Å; R564-T568 WeakPolarHBondContact O-CG2 3.17Å; R564-T568 PolarHBondContact O-N 2.67Å; R564-T568 PolarHBondContact O-OG1 3.46Å; R564-T568 VanDerWaalsContact O-OG1 3.13Å
565R52.5Low55.7Low104 Ų10499.7 Ų99.739%0.39251%0.513SS..Hα-helixtrans-82.6-31.5176.9-96.9-175.9-171.675.99.6114.1T561 Q562 R563 T568 N569T561-R565 PolarHBondContact O-NH1 3.38Å; T561-R565 VanDerWaalsContact O-NH1 3.13Å; Q562-R565 WeakPolarHBondContact O-CB 3.09Å; Q562-R565 PolarHBondContact O-N 3.46Å; Q562-R565 VanDerWaalsContact O-N 3.09Å; R563-R565 PolarHBondContact O-N 3.16Å; R565-T568 WeakPolarHBondContact CA-OG1 3.47Å; R565-T568 PolarHBondContact O-OG1 3.14Å; R565-N569 PolarHBondContact O-N 3.47Å; R565-N569 PolarHBondContact O-ND2 3.42Å
566N49.5Very low52.9Low101 Ų101105.4 Ų105.454%0.5455%0.548SS..Hα-helixtrans-69.1-46.9176.4-67.311.8000109.1Q562 R563 T568 N569 Q570Q562-N566 PolarHBondContact O-N 2.76Å; R563-N566 PolarHBondContact O-N 2.8Å; N566-T568 PolarHBondContact O-N 2.81Å; N566-N569 CarbonylContact O-C 3.39Å; N566-N569 PolarHBondContact O-N 3.19Å; N566-Q570 PolarHBondContact O-N 2.78Å; N566-Q570 VanDerWaalsContact O-N 3.09Å
567E41.2Very low50.2Low95 Ų95107.5 Ų107.544%0.44457%0.569SS.*Hα-helixtrans-49.9-55.4172.5-67.7146.6-14400111.6R563 R564 N569 Q570 S571R563-E567 VanDerWaalsContact C-OE1 3.31Å; R563-E567 PolarHBondContact O-N 2.8Å; R564-E567 WeakPolarHBondContact CA-OE2 3.26Å; E567-N569 PolarHBondContact O-N 2.83Å; E567-Q570 PolarHBondContact O-N 2.77Å; E567-S571 PolarHBondContact O-N 3.45Å; E567-S571 PolarHBondContact O-OG 3.43Å; E567-S571 VanDerWaalsContact O-OG 3.1Å
568T48.7Very low47.4Very low84 Ų84112 Ų11252%0.51559%0.587SS.*Hα-helixtrans-67.7-4.3178.957.90000115.8R564 R565 N566R564-T568 WeakPolarHBondContact O-CG2 3.17Å; R564-T568 PolarHBondContact O-N 2.67Å; R564-T568 PolarHBondContact O-OG1 3.46Å; R564-T568 VanDerWaalsContact O-OG1 3.13Å; R565-T568 WeakPolarHBondContact CA-OG1 3.47Å; R565-T568 PolarHBondContact O-OG1 3.14Å; N566-T568 PolarHBondContact O-N 2.81Å
569N41.1Very low45Very low118 Ų118117.2 Ų117.263%0.63162%0.615SS**Hα-helixtrans-105.8-8.8170.4-73.6-69.8000112.6R565 N566 E567R565-N569 PolarHBondContact O-N 3.47Å; R565-N569 PolarHBondContact O-ND2 3.42Å; N566-N569 CarbonylContact O-C 3.39Å; N566-N569 PolarHBondContact O-N 3.19Å; E567-N569 PolarHBondContact O-N 2.83Å
570Q35.5Very low42.5Very low139 Ų139118.8 Ų118.865%0.6563%0.627SS**Hα-helixtrans-98.4-37.1172.6-76.9169.3-38.200111.3N566 E567 A572N566-Q570 PolarHBondContact O-N 2.78Å; N566-Q570 VanDerWaalsContact O-N 3.09Å; E567-Q570 PolarHBondContact O-N 2.77Å; Q570-A572 PolarHBondContact O-N 2.99Å; Q570-A572 VanDerWaalsContact O-N 3.11Å
571S31.9Very low40.3Very low104 Ų104121.7 Ų121.773%0.72764%0.637SS**THydrogen-bonded Turntrans-81.527.1171.960.40000114.5E567E567-S571 PolarHBondContact O-N 3.45Å; E567-S571 PolarHBondContact O-OG 3.43Å; E567-S571 VanDerWaalsContact O-OG 3.1Å
572A31.4Very low38.2Very low69 Ų69126.9 Ų126.957%0.5766%0.658SS**THydrogen-bonded Turntrans-129.213.5178.700000113.3Q570Q570-A572 PolarHBondContact O-N 2.99Å; Q570-A572 VanDerWaalsContact O-N 3.11Å
573C26.7Very low36.3Very low118 Ų118128.1 Ų128.180%0.79767%0.674SS**SBendtrans-129.624.5-179.7-98.10000114
574E28Very low34.8Very low180 Ų180126.7 Ų126.784%0.84168%0.679SS**SBendtrans-128165.2158.8-84.9-173.6132.300109.5
575I27.5Very low33.8Very low163 Ų163125.7 Ų125.784%0.83669%0.687SS**  trans64.683.2-173.3-43173000113.4
576T29.3Very low32.7Very low127 Ų127125.9 Ų125.978%0.77970%0.704SS**  -173.278.4110.1-62.30000109.9
577S27Very low31.9Very low123 Ų123126.7 Ų126.786%0.8672%0.715SS**  trans-137.287.1162.3-75.90000108.7
578L26.8Very low31.3Very low159 Ų159128.7 Ų128.783%0.83273%0.729SS**  trans-175.2153.9167.5-107.6170.3000109.9
579N31.6Very low30.4Very low119 Ų119129.2 Ų129.264%0.63674%0.736SS**  trans87.5124.3-173.4-57.3-80.6000114.4K1671N579-K1671 PolarHBondContact OD1-NZ 3.06Å
580N30.1Very low30.4Very low107 Ų107130.4 Ų130.457%0.57274%0.742SS**  cis-136.8174.2-4.9-41.2-92000106.8K1671N580-K1671 PolarHBondContact OD1-NZ 3.01Å
581Q32.5Very low30.5Very low161 Ų161126.3 Ų126.375%0.75273%0.728SS**  cis-137.9141.520.1-62.6-179.9-10.800109.3
582Q31.5Very low30.5Very low160 Ų160125.9 Ų125.975%0.74872%0.72SS**  62.4137101.6-56.2171.3-104.100115.2
583S28.6Very low30.4Very low90 Ų90126.3 Ų126.363%0.62972%0.719SS**  cis-172.5169.7-742.60000111.2
584L27.5Very low30.7Very low156 Ų156124 Ų12482%0.81771%0.708SS**  trans77142.1171.2-46.5178000113.9
585L30.2Very low30.9Very low163 Ų163120.9 Ų120.985%0.85370%0.704SS**  cis-127.5163.2-1-75.188.4000112
586S29.4Very low30.9Very low108 Ų108118.4 Ų118.476%0.75570%0.699SS**  trans-90.2162.1158.6-40.70000109.8
587P34Very low30.7Very low118 Ų118120.1 Ų120.177%0.76670%0.699SS**  -138.7168.471.543-26.8000112.1
588N28.1Very low30.9Very low137 Ų137123 Ų12373%0.73370%0.696SS**  54.5143.750.3-115.1-4.8000113.5
589S29.6Very low30.7Very low95 Ų95121.5 Ų121.566%0.66469%0.689SS**  cis-148.6141.46.746.80000109.1
590N42Very low30.4Very low142 Ų142125 Ų12576%0.75970%0.698SS**  38.6127.191.8-76.2-26.2000115.7
591P37.3Very low30.2Very low54 Ų54123.8 Ų123.835%0.35170%0.698SS.*  trans-146.9130.9134.334.4-16000117.2C661P591-C661 HydrophobicContact CB-CB 4.39Å; P591-C661 HydrophobicContact CG-CB 4.11Å
592V31.5Very low30.2Very low95 Ų95123.9 Ų123.958%0.57670%0.703SS**  69.8139.5115.3173.20000120.3
593S29.5Very low30Very low77 Ų77120.6 Ų120.654%0.53869%0.694SS.*  cis-167.9153.8-19.7-93.70000111.4
594A33.5Very low30.1Very low69 Ų69126 Ų12657%0.5771%0.707SS**  trans49.8-170.6144.600000119.7R664A594-R664 PolarHBondContact O-NH2 3.14Å
595P31.2Very low30.3Very low116 Ų116123.6 Ų123.675%0.75370%0.703SS**  cis-102.2-165-33.538.4-24.6000110.5
596C28.2Very low30.3Very low110 Ų110121.5 Ų121.574%0.74370%0.697SS**  cis-125.2-1782.2-62.70000109.7
597Q25Very low30.3Very low164 Ų164121.6 Ų121.677%0.76670%0.697SS**  cis86138.714.1-112.2-173.16.800118.8
598K29.8Very low30.1Very low183 Ų183122 Ų12280%0.79670%0.698SS**  trans81.5107179-56.6174-175.1176.90113.8
599D23.6Very low30.4Very low128 Ų128120.8 Ų120.868%0.68470%0.701SS**  cis81.4150.126.4-46.7-71.5000116
600F25.8Very low30.4Very low191 Ų191121 Ų12184%0.83870%0.7SS**  trans72.9141.9169.3-77.1-81.9000117.9
601S25.4Very low29.5Very low82 Ų82123.6 Ų123.657%0.57371%0.705SS**  cis-149.8147.1-0.9-51.70000112
602L32.5Very low28.9Very low163 Ų163126.7 Ų126.785%0.85372%0.722SS**  175.7141.8112.2-124.162.9000111.4
603T27.7Very low28.7Very low92 Ų92130.9 Ų130.956%0.56473%0.729SS**  -176.299.4-73.538.40000108.4
604K31.1Very low28.8Very low203 Ų203136.3 Ų136.388%0.88374%0.738SS**  trans-176138.3149.8-106.5170.7-178.1178.70107.6
605S31.6Very low28.4Very low106 Ų106139.8 Ų139.874%0.74175%0.746SS**  cis-133.3135.61.1480000109.5
606T28.5Very low28.4Very low118 Ų118140 Ų14072%0.72474%0.741SS**  cis69.865.348.373.80000116.1
607S29.9Very low28.7Very low110 Ų110142.7 Ų142.777%0.76975%0.747SS**  trans-153.2104.6139.4580000108.2
608T30.9Very low28.7Very low126 Ų126141.8 Ų141.877%0.77374%0.742SS**  72.791.574.5-55.40000112.6
609S34.2Very low29.2Very low113 Ų113139.4 Ų139.479%0.7975%0.746SS**  trans-65.5146.4148.753.70000109.6
610P29.7Very low29.2Very low100 Ų100139.3 Ų139.365%0.64974%0.744SS**  -154.7151.411038.6-21.2000117.2
611F22.5Very low29.2Very low196 Ų196134.5 Ų134.586%0.8673%0.734SS**  trans58.5152.5137.3-88.2-100.4000124.4
612V24Very low29.2Very low119 Ų119136 Ų13672%0.72174%0.74SS**  trans55.3139.7170-93.80000117.3
613Y28.5Very low28.8Very low182 Ų182135.7 Ų135.771%0.71474%0.738SS**  cis-148.2138.727.9-136-75.9000112.8
614R30.5Very low28.8Very low192 Ų192137 Ų13773%0.72575%0.747SS**  trans60.6131.8168.2-86167.7-175.9161.12116
615N25.2Very low28.7Very low141 Ų141132.4 Ų132.475%0.75474%0.74SS**  cis61.8142.549-46.116000111.1
616D30.8Very low29Very low120 Ų120136.7 Ų136.764%0.64274%0.74SS**  cis-149.6166.534.5-80.8-72.3000113
617I35Very low29.2Very low168 Ų168136.7 Ų136.786%0.86274%0.742SS**  trans80.6143162.2-63.3147.7000118.1
618E25.9Very low29Very low144 Ų144137 Ų13767%0.67373%0.731SS**  trans-89.2-170.6-172-51.3175.3125.800112.3
619P39.1Very low29.1Very low133 Ų133138.2 Ų138.286%0.86473%0.726SS**  -135127.485.634.2-20.9000113.9
620L25.2Very low28.6Very low126 Ų126137.8 Ų137.866%0.6672%0.718SS**  trans-71.1175.8164.5-109171.6000111.8
621S24Very low28.8Very low90 Ų90139.8 Ų139.863%0.62972%0.719SS**SBendtrans-45170.9168.354.40000116.7
622V26.7Very low29.3Very low114 Ų114135.9 Ų135.969%0.69171%0.713SS**  trans80.3100.4171.3-169.60000110.6
623L24.7Very low29.5Very low156 Ų156134.5 Ų134.582%0.81770%0.701SS**  61.5145.974.4-69.2167.8000113.3
624T26.9Very low29.6Very low121 Ų121135.5 Ų135.574%0.74271%0.705SS**  trans60137.6171.7-1640000115.2
625S29.5Very low29.8Very low105 Ų105131.2 Ų131.273%0.73470%0.696SS**  cis-123.7146.816.8670000111.1
626R36.8Very low30Very low197 Ų197130 Ų13074%0.74369%0.689SS**  cis60.4114.350-156.7-177.9-172.7-156.21.1108.5
627P33.1Very low29.9Very low118 Ų118131.6 Ų131.677%0.76669%0.693SS**  -85.2130.674.224.4-33.9000111
628E25.9Very low30.3Very low117 Ų117129.1 Ų129.155%0.54769%0.685SS.*  95.1149.367-84-148.8105.900108.9
629K32.6Very low30.8Very low151 Ų151129.1 Ų129.166%0.65769%0.686SS**  trans65119.2163.4-69.3154.5174.7103.50114.4
630T24.6Very low30.5Very low103 Ų103130.6 Ų130.663%0.63268%0.678SS**  64.5107.760.6-51.20000109.1I633T630-I633 HydrophobicContact CG2-CD1 4.3Å
631E34.1Very low30.8Very low142 Ų142128.5 Ų128.566%0.66468%0.675SS**  18.4151.2121.9-45-164.2-129.900118.4I633E631-I633 HydrophobicContact CB-CB 4.02Å; E631-I633 HydrophobicContact CB-CD1 3.94Å; E631-I633 HydrophobicContact CB-CG1 3.69Å; E631-I633 HydrophobicContact CG-CD1 4.21Å; E631-I633 HydrophobicContact CG-CG1 4.29Å
632P31.3Very low31.1Very low114 Ų114130.2 Ų130.274%0.7468%0.677SS**  -104.9130114.229.7-32.5000109.4Y634P632-Y634 HydrophobicContact CB-CD2 4.41Å
633I30.2Very low31.2Very low90 Ų90130.9 Ų130.946%0.46268%0.676SS.*  cis41.466.817.3-55.1178.1000111.6T630 E631T630-I633 HydrophobicContact CG2-CD1 4.3Å; E631-I633 HydrophobicContact CB-CB 4.02Å; E631-I633 HydrophobicContact CB-CD1 3.94Å; E631-I633 HydrophobicContact CB-CG1 3.69Å; E631-I633 HydrophobicContact CG-CD1 4.21Å; E631-I633 HydrophobicContact CG-CG1 4.29Å
634Y30.2Very low31.6Very low203 Ų203128.4 Ų128.480%0.79667%0.672SS**  -131.7135.4116.5-84.7-90.8000106.4P632P632-Y634 HydrophobicContact CB-CD2 4.41Å
635D33.9Very low31.9Very low102 Ų102129.8 Ų129.855%0.54567%0.669SS.*  cis-153.7131.3-16.4-120.611.3000105.4
636L30.6Very low32Very low115 Ų115132.2 Ų132.260%0.60267%0.669SS**  94.9129.272.1-174.672.4000111
637E28.7Very low31.7Very low154 Ų154133.8 Ų133.872%0.7268%0.677SS**  trans46.5120.3161.6-67.8169.8-178.600117.9
638T42.6Very low31.5Very low116 Ų116135.4 Ų135.471%0.71267%0.673SS**  -151.4123.982.712.10000113.9
639Q35.7Very low31.8Very low145 Ų145136.2 Ų136.268%0.67868%0.677SS**  64.2141.5127.9-70.7-172.951.800119.6
640K34.2Very low31.7Very low163 Ų163134.8 Ų134.871%0.70967%0.673SS**  cis-168169.1-7.9-134.5175.2-168.6165.20111
641S29.8Very low32Very low83 Ų83135.7 Ų135.758%0.5867%0.67SS**  trans8.7149.5139.269.40000120.7
642N30.4Very low31.9Very low126 Ų126135.8 Ų135.867%0.67467%0.67SS**  cis-171.7-179.43.2-11734.6000110.2
643D30Very low31.9Very low128 Ų128136.8 Ų136.868%0.68467%0.665SS**  trans31.2124.3145.4-45.8-32.7000119
644S31.5Very low31.9Very low103 Ų103140.3 Ų140.372%0.7268%0.68SS**  -176.9148.483.6-80.60000115.8
645H34.3Very low32.2Very low150 Ų150136.2 Ų136.269%0.69468%0.678SS**  trans49115.2143.3-71.1-71.1000123.5
646H32.1Very low32.1Very low157 Ų157134.5 Ų134.573%0.72768%0.684SS**  50.9117.6121.8-63.60.1000119.8
647Y29.6Very low32.1Very low230 Ų230136.5 Ų136.590%0.90269%0.688SS**  -141.4152.982.6-121.2-92.2000111.2
648H29Very low32Very low151 Ų151136 Ų13670%0.69969%0.685SS**  trans-133.6-172178.1-173.942000107.6
649H32.7Very low31.4Very low135 Ų135135.8 Ų135.863%0.62568%0.684SS**  trans72.6144.4172.8-77.923000116.1
650Q30.4Very low31Very low121 Ų121135.5 Ų135.557%0.56569%0.687SS**  cis-161.8160.1-10.9-126.6-175.5-1.600114.1
651Q31.7Very low30.5Very low122 Ų122132 Ų13257%0.5768%0.683SS**  trans66.3155.2145.9-76.5176.622.300118.4
652Q32.1Very low30.3Very low143 Ų143130.6 Ų130.667%0.66867%0.672SS**  cis-136.6135.3-0.2-125.7166.868.200108.6
653Q30.3Very low30.3Very low135 Ų135131 Ų13163%0.63167%0.67SS**  48.9152.1115.2-68-175.13800120.2
654Q29.7Very low30Very low165 Ų165132.9 Ų132.977%0.77167%0.667SS**  cis-149-169.715.3-127.2178.661.200109.4
655P37.1Very low29.7Very low117 Ų117132.4 Ų132.476%0.7666%0.664SS**  trans-130.6-178.3-13931.5-5.1000115.8
656G30.9Very low29.3Very low65 Ų65130.1 Ų130.167%0.6767%0.665SS**  trans173.9109.5161.800000109.7
657K30.4Very low28.9Very low158 Ų158129.7 Ų129.769%0.68767%0.665SS**  73124.462.6-75.8176.2133.8-74.80113.1
658E27.4Very low28.8Very low143 Ų143127.2 Ų127.267%0.66866%0.659SS**  trans62.5149.6145.4-75.1123.2-126.800118.1
659T30.6Very low28.6Very low112 Ų112124.5 Ų124.569%0.68766%0.657SS**  cis-159.5169-1714.20000108.5
660N27.9Very low28.2Very low139 Ų139122.2 Ų122.274%0.74366%0.656SS**  trans33.7118143.4-62.7-30.1000120.5
661C23.1Very low28Very low90 Ų90123.7 Ų123.761%0.60866%0.663SS**  47.4123.7120.2-61.50000121.6P591P591-C661 HydrophobicContact CB-CB 4.39Å; P591-C661 HydrophobicContact CG-CB 4.11Å
662S24.6Very low27.8Very low52 Ų52123 Ų12336%0.36467%0.672SS.*  111.1143.3126.4-68.80000118.2
663H30.4Very low27.7Very low135 Ų135122.6 Ų122.663%0.62568%0.679SS**  trans90.6123.3161.3-57.1-29000117.6
664R25.1Very low27.6Very low167 Ų167123.6 Ų123.663%0.6368%0.684SS**  cis103.214125.2-179.1-158.3-176.5176.811.4110.7A594A594-R664 PolarHBondContact O-NH2 3.14Å
665S25.4Very low28Very low93 Ų93121.2 Ų121.265%0.6568%0.682SS**  trans82.6120.3174.8-250000112.1
666S25.3Very low27.6Very low103 Ų103122.2 Ų122.272%0.7268%0.681SS**  cis70.8160.325.5-158.20000114.5
667M23.1Very low27.5Very low148 Ų148127.3 Ų127.373%0.72969%0.687SS**  trans76.9136.6-163.4-51-69.5124.200111.9
668K28.4Very low27.6Very low177 Ų177124.8 Ų124.877%0.7768%0.682SS**  cis-161.7159.85.4-132.2171.3-171.4179.30113.3
669S23.9Very low28.1Very low94 Ų94126.5 Ų126.566%0.65769%0.693SS**  trans23.9146.3140.5590000121.5
670S25.1Very low28.4Very low87 Ų87126 Ų12661%0.60869%0.69SS**  cis-175.7-167.10.744.50000110.5
671E26.4Very low29.1Very low152 Ų152122.5 Ų122.571%0.7168%0.676SS**  trans61.6114.7169.2-86.360.6-10500117.7
672S25.7Very low30.5Very low108 Ų108127.1 Ų127.176%0.75569%0.686SS**  77.3139.1100.890.10000114.7
673V30.9Very low31.7Very low135 Ų135131.9 Ų131.982%0.81870%0.703SS**  cis-154.7176.22.31120000109.3
674H28.2Very low33Very low156 Ų156131.3 Ų131.372%0.72270%0.7SS**  trans-32.3164.8173.2-93.6-87.7000118.9D676H674-D676 IonicContact ND1-OD2 2.65Å
675P38.3Very low35Very low114 Ų114127.8 Ų127.874%0.7469%0.691SS**  cis-135-174.215.738.5-18.5000117.1
676D27.8Very low37.3Very low139 Ų139127 Ų12774%0.74368%0.677SS**  trans-59.5141.4171.7-53.4-110.4000114.6H674H674-D676 IonicContact ND1-OD2 2.65Å
677E29.1Very low39.7Very low171 Ų171125.3 Ų125.380%0.79966%0.662SS**  -164.3169.5128.9-123.5-174.9-14700113.2
678N33.5Very low42.3Very low106 Ų106123.5 Ų123.557%0.56765%0.652SS**  trans60.686.7165.8-68-60.6000120.1
679I36.5Very low44.9Very low178 Ų178121.4 Ų121.491%0.91364%0.639SS**  trans-114.757.7142.5-48.7-176.7000109.6
680V37.5Very low47.6Very low103 Ų103123.7 Ų123.762%0.62463%0.634SS**  trans-138.565.2168-171.90000107.9
681S43.6Very low50.6Low64 Ų64124.4 Ų124.445%0.44863%0.63SS.*SBendtrans-149.9-4.1-174-38.90000115.6Q685S681-Q685 WeakPolarHBondContact O-CB 3.49Å
682K52.7Low53.4Low187 Ų187121.3 Ų121.381%0.81362%0.618SS**SBendtrans-105.9-41.8175.4-84.5-173.5174.9178.30113.9E686K682-E686 VanDerWaalsContact O-CB 3.3Å; K682-E686 WeakPolarHBondContact O-CB 3.21Å; K682-E686 PolarHBondContact O-N 3.15Å; K682-E686 VanDerWaalsContact O-N 3.1Å
683E48.7Very low56.3Low152 Ų152122.9 Ų122.971%0.7161%0.613SS**Hα-helixtrans-69.5-40.5175.8-169.7164.5-155.900110.8E686 T687E683-E686 PolarHBondContact O-N 2.81Å; E683-T687 PolarHBondContact O-N 3.35Å; E683-T687 PolarHBondContact O-OG1 2.92Å
684E57.3Low59Low124 Ų124122.1 Ų122.158%0.57960%0.603SS**Hα-helixtrans-64.1-49.1177.2-168.9148.6-151.100112.2E686 T687 E688E684-E686 PolarHBondContact O-N 2.84Å; E684-T687 WeakPolarHBondContact CA-OG1 3.23Å; E684-T687 CarbonylContact O-C 3.05Å; E684-T687 PolarHBondContact O-N 2.81Å; E684-T687 VanDerWaalsContact O-N 3.09Å; E684-T687 PolarHBondContact O-OG1 3.23Å; E684-E688 WeakPolarHBondContact O-CB 3.12Å; E684-E688 PolarHBondContact O-N 3.16Å
685Q67.5Low61.6Low93 Ų93120.3 Ų120.344%0.43560%0.598SS.*Hα-helixtrans-66.2-22.6176.7-155.7-170.178.400113.3S681 R689S681-Q685 WeakPolarHBondContact O-CB 3.49Å; Q685-R689 WeakPolarHBondContact O-CG 3.42Å; Q685-R689 PolarHBondContact O-N 3.43Å; Q685-R689 VanDerWaalsContact O-N 3.08Å; Q685-R689 PolarHBondContact O-NH1 2.86Å
686E74Confident63.8Low77 Ų77121 Ų12136%0.3660%0.595SS.*Hα-helixtrans-79.8-39170.3175.160.5-17300111.6K682 E683 E684 E688 R689 R690K682-E686 VanDerWaalsContact O-CB 3.3Å; K682-E686 WeakPolarHBondContact O-CB 3.21Å; K682-E686 PolarHBondContact O-N 3.15Å; K682-E686 VanDerWaalsContact O-N 3.1Å; E683-E686 PolarHBondContact O-N 2.81Å; E684-E686 PolarHBondContact O-N 2.84Å; E686-E688 VanDerWaalsContact C-N 3.31Å; E686-E688 PolarHBondContact O-N 3.48Å; E686-R689 PolarHBondContact O-N 3.01Å; E686-R690 VanDerWaalsContact O-CG 3.29Å; E686-R690 WeakPolarHBondContact O-CG 3.28Å; E686-R690 PolarHBondContact O-N 3.21Å; E686-R690 IonicContact OE1-CZ 2.84Å; E686-R690 IonicContact OE1-NE 3.85Å; E686-R690 PolarHBondContact OE1-NE 2.93Å; E686-R690 IonicContact OE1-NH2 2.95Å; E686-R690 PolarHBondContact OE1-NH2 2.88Å
687T75Confident66.3Low66 Ų66117.4 Ų117.441%0.40558%0.584SS.*Hα-helixtrans-64.4-36.7170.552.80000112E683 E684 R690 I691E683-T687 PolarHBondContact O-N 3.35Å; E683-T687 PolarHBondContact O-OG1 2.92Å; E684-T687 WeakPolarHBondContact CA-OG1 3.23Å; E684-T687 CarbonylContact O-C 3.05Å; E684-T687 PolarHBondContact O-N 2.81Å; E684-T687 VanDerWaalsContact O-N 3.09Å; E684-T687 PolarHBondContact O-OG1 3.23Å; T687-R690 PolarHBondContact O-N 3.26Å; T687-I691 WeakPolarHBondContact O-CB 3.05Å; T687-I691 WeakPolarHBondContact O-CD1 3.37Å; T687-I691 VanDerWaalsContact O-CG1 3.23Å; T687-I691 WeakPolarHBondContact O-CG1 3.15Å; T687-I691 PolarHBondContact O-N 3.46Å
688E78.1Confident68.8Low111 Ų111111.5 Ų111.552%0.51957%0.565SS.*Hα-helixtrans-67.4-42.2175.3-173.4176.3-138.400111.5E684 E686 R690 I691 N692E684-E688 WeakPolarHBondContact O-CB 3.12Å; E684-E688 PolarHBondContact O-N 3.16Å; E686-E688 VanDerWaalsContact C-N 3.31Å; E686-E688 PolarHBondContact O-N 3.48Å; E688-R690 VanDerWaalsContact C-N 3.32Å; E688-R690 PolarHBondContact O-N 2.99Å; E688-I691 PolarHBondContact O-N 3.17Å; E688-N692 WeakPolarHBondContact O-CB 3.25Å; E688-N692 PolarHBondContact O-N 2.67Å; E688-N692 PolarHBondContact O-ND2 3.49Å
689R82.4Confident71.1Confident132 Ų132112 Ų11250%0.49856%0.562SS.*Hα-helixtrans-58.7-41.2169.5-81.1-174.8-174.487.23.6112.3Q685 E686 N692 Q693Q685-R689 WeakPolarHBondContact O-CG 3.42Å; Q685-R689 PolarHBondContact O-N 3.43Å; Q685-R689 VanDerWaalsContact O-N 3.08Å; Q685-R689 PolarHBondContact O-NH1 2.86Å; E686-R689 PolarHBondContact O-N 3.01Å; R689-N692 PolarHBondContact O-N 2.99Å; R689-Q693 WeakPolarHBondContact O-CB 3.22Å; R689-Q693 WeakPolarHBondContact O-CG 3.11Å; R689-Q693 PolarHBondContact O-N 2.83Å
690R81Confident73Confident143 Ų143106.2 Ų106.254%0.5454%0.541SS..Hα-helixtrans-69.2-42.1177.9-71.5172.4-171.5-162.13.3112.6E686 T687 E688 N692 Q693 I694E686-R690 VanDerWaalsContact O-CG 3.29Å; E686-R690 WeakPolarHBondContact O-CG 3.28Å; E686-R690 PolarHBondContact O-N 3.21Å; E686-R690 IonicContact OE1-CZ 2.84Å; E686-R690 IonicContact OE1-NE 3.85Å; E686-R690 PolarHBondContact OE1-NE 2.93Å; E686-R690 IonicContact OE1-NH2 2.95Å; E686-R690 PolarHBondContact OE1-NH2 2.88Å; T687-R690 PolarHBondContact O-N 3.26Å; E688-R690 VanDerWaalsContact C-N 3.32Å; E688-R690 PolarHBondContact O-N 2.99Å; R690-N692 VanDerWaalsContact C-N 3.34Å; R690-Q693 PolarHBondContact O-N 3.23Å; R690-I694 WeakPolarHBondContact O-CB 3.43Å; R690-I694 WeakPolarHBondContact O-CD1 3.44Å; R690-I694 VanDerWaalsContact O-CG1 3.25Å; R690-I694 WeakPolarHBondContact O-CG1 3.3Å; R690-I694 PolarHBondContact O-N 3.21Å
691I89.2Confident74.6Confident102 Ų102104.2 Ų104.252%0.52354%0.535SS..Hα-helixtrans-60.2-47.1174.1-72.2162.9000109.4T687 E688 I694 L695T687-I691 WeakPolarHBondContact O-CB 3.05Å; T687-I691 WeakPolarHBondContact O-CD1 3.37Å; T687-I691 VanDerWaalsContact O-CG1 3.23Å; T687-I691 WeakPolarHBondContact O-CG1 3.15Å; T687-I691 PolarHBondContact O-N 3.46Å; E688-I691 PolarHBondContact O-N 3.17Å; I691-I694 PolarHBondContact O-N 3.15Å; I691-L695 WeakPolarHBondContact O-CB 3.28Å; I691-L695 PolarHBondContact O-N 3.37Å
692N85.3Confident76.3Confident86 Ų86106.4 Ų106.446%0.4654%0.54SS..Hα-helixtrans-65-38.5177.2-77.3-55.8000113E688 R689 R690 L695 L696E688-N692 WeakPolarHBondContact O-CB 3.25Å; E688-N692 PolarHBondContact O-N 2.67Å; E688-N692 PolarHBondContact O-ND2 3.49Å; R689-N692 PolarHBondContact O-N 2.99Å; R690-N692 VanDerWaalsContact C-N 3.34Å; N692-L695 PolarHBondContact O-N 2.72Å; N692-L696 VanDerWaalsContact O-CB 3.31Å; N692-L696 WeakPolarHBondContact O-CB 3.26Å; N692-L696 PolarHBondContact O-N 2.89Å
693Q86.3Confident77.3Confident142 Ų142100.5 Ų100.566%0.66452%0.517SS*.Hα-helixtrans-62.7-41.4171.7-81.2-173.6-5.400112.5R689 R690 L696 A697R689-Q693 WeakPolarHBondContact O-CB 3.22Å; R689-Q693 WeakPolarHBondContact O-CG 3.11Å; R689-Q693 PolarHBondContact O-N 2.83Å; R690-Q693 PolarHBondContact O-N 3.23Å; Q693-L696 PolarHBondContact O-N 3.43Å; Q693-A697 VanDerWaalsContact O-CB 3.32Å; Q693-A697 WeakPolarHBondContact O-CB 3.35Å; Q693-A697 PolarHBondContact O-N 3.42Å
694I86.6Confident78.4Confident119 Ų11999.9 Ų99.961%0.6151%0.509SS*.Hα-helixtrans-65.2-41.9176.1-69.3163.9000110.4R690 I691 A697 A698R690-I694 WeakPolarHBondContact O-CB 3.43Å; R690-I694 WeakPolarHBondContact O-CD1 3.44Å; R690-I694 VanDerWaalsContact O-CG1 3.25Å; R690-I694 WeakPolarHBondContact O-CG1 3.3Å; R690-I694 PolarHBondContact O-N 3.21Å; I691-I694 PolarHBondContact O-N 3.15Å; I694-A697 PolarHBondContact O-N 3.43Å; I694-A698 WeakPolarHBondContact O-CB 3.45Å; I694-A698 PolarHBondContact O-N 3.13Å
695L84.1Confident78.9Confident118 Ų11898 Ų9862%0.61850%0.5SS*.Hα-helixtrans-63.8-42.8177-140.879.6000111.7I691 N692 A698 K699I691-L695 WeakPolarHBondContact O-CB 3.28Å; I691-L695 PolarHBondContact O-N 3.37Å; N692-L695 PolarHBondContact O-N 2.72Å; L695-A698 PolarHBondContact O-N 2.83Å; L695-K699 WeakPolarHBondContact O-CB 3.46Å; L695-K699 PolarHBondContact O-N 2.81Å
696L84.8Confident78.9Confident129 Ų129100.8 Ų100.868%0.67551%0.511SS*.Hα-helixtrans-68.6-37.6178.7-157.575.8000111.8N692 Q693 K699 A700N692-L696 VanDerWaalsContact O-CB 3.31Å; N692-L696 WeakPolarHBondContact O-CB 3.26Å; N692-L696 PolarHBondContact O-N 2.89Å; Q693-L696 PolarHBondContact O-N 3.43Å; L696-K699 PolarHBondContact O-N 2.75Å; L696-A700 WeakPolarHBondContact O-CB 3.34Å; L696-A700 PolarHBondContact O-N 3.41Å
697A78.8Confident78Confident62 Ų62103.2 Ų103.251%0.51252%0.522SS..Hα-helixtrans-66.7-40.6172.900000112.1Q693 I694 A700 A701Q693-A697 VanDerWaalsContact O-CB 3.32Å; Q693-A697 WeakPolarHBondContact O-CB 3.35Å; Q693-A697 PolarHBondContact O-N 3.42Å; I694-A697 PolarHBondContact O-N 3.43Å; A697-A700 PolarHBondContact O-N 2.98Å; A697-A701 PolarHBondContact O-N 3.03Å
698A81.5Confident77.2Confident48 Ų48101.3 Ų101.340%0.39751%0.509SS..Hα-helixtrans-65.6-40.2174.700000112.1I694 L695 A701 M702I694-A698 WeakPolarHBondContact O-CB 3.45Å; I694-A698 PolarHBondContact O-N 3.13Å; L695-A698 PolarHBondContact O-N 2.83Å; A698-A701 PolarHBondContact O-N 3.35Å; A698-M702 WeakPolarHBondContact O-CG 3.35Å; A698-M702 PolarHBondContact O-N 2.73Å
699K81.9Confident76Confident116 Ų11699.8 Ų99.850%0.50450%0.501SS..Hα-helixtrans-57.2-51.9172.5-177.771.9-179.8-174.60111.1L695 L696 A701 M702 D703L695-K699 WeakPolarHBondContact O-CB 3.46Å; L695-K699 PolarHBondContact O-N 2.81Å; L696-K699 PolarHBondContact O-N 2.75Å; K699-A701 VanDerWaalsContact C-N 3.29Å; K699-A701 PolarHBondContact O-N 3.38Å; K699-M702 PolarHBondContact O-N 3.2Å; K699-D703 WeakPolarHBondContact CE-OD2 3.43Å; K699-D703 PolarHBondContact O-N 2.67Å
700A76.5Confident74.4Confident57 Ų5796.9 Ų96.947%0.47151%0.505SS..Hα-helixtrans-62.3-32.9178.400000113.4L696 A697 Y704L696-A700 WeakPolarHBondContact O-CB 3.34Å; L696-A700 PolarHBondContact O-N 3.41Å; A697-A700 PolarHBondContact O-N 2.98Å; A700-Y704 PolarHBondContact O-N 2.62Å; A700-Y704 VanDerWaalsContact O-N 3.16Å
701A70.9Confident72.4Confident60 Ų6096.6 Ų96.650%0.49652%0.515SS..Hα-helixtrans-68-44.7173.700000112.2A697 A698 K699 Y704 E705A697-A701 PolarHBondContact O-N 3.03Å; A698-A701 PolarHBondContact O-N 3.35Å; K699-A701 VanDerWaalsContact C-N 3.29Å; K699-A701 PolarHBondContact O-N 3.38Å; A701-Y704 WeakPolarHBondContact O-CB 3.38Å; A701-Y704 PolarHBondContact O-N 2.83Å; A701-E705 PolarHBondContact O-N 3.2Å
702M79.1Confident69.9Low110 Ų11094.5 Ų94.554%0.54252%0.518SS..Hα-helixtrans-66.4-37.1177.3-71.3-174.1-67.800112.9A698 K699 Y704 E705 K706A698-M702 WeakPolarHBondContact O-CG 3.35Å; A698-M702 PolarHBondContact O-N 2.73Å; K699-M702 PolarHBondContact O-N 3.2Å; M702-Y704 VanDerWaalsContact C-N 3.31Å; M702-E705 PolarHBondContact O-N 2.98Å; M702-K706 PolarHBondContact O-N 3.4Å
703D75.2Confident67.4Low63 Ų6398.3 Ų98.334%0.33754%0.537SS..Hα-helixtrans-70.7-28.7176.1-69.9-35.6000111.6K699 Q707K699-D703 WeakPolarHBondContact CE-OD2 3.43Å; K699-D703 PolarHBondContact O-N 2.67Å; D703-Q707 WeakPolarHBondContact O-CG 3.36Å; D703-Q707 PolarHBondContact O-N 3.35Å
704Y71Confident64.9Low140 Ų14097 Ų9755%0.54954%0.539SS..Hα-helixtrans-67-42.9165.9-119.5-67.2000112.1A700 A701 M702 K706 Q707 I708A700-Y704 PolarHBondContact O-N 2.62Å; A700-Y704 VanDerWaalsContact O-N 3.16Å; A701-Y704 WeakPolarHBondContact O-CB 3.38Å; A701-Y704 PolarHBondContact O-N 2.83Å; M702-Y704 VanDerWaalsContact C-N 3.31Å; Y704-K706 PolarHBondContact O-N 2.83Å; Y704-Q707 PolarHBondContact O-N 3.25Å; Y704-Q707 VanDerWaalsContact O-N 3.14Å; Y704-I708 WeakPolarHBondContact O-CD1 3.43Å; Y704-I708 WeakPolarHBondContact O-CG1 3.33Å; Y704-I708 PolarHBondContact O-N 3.09Å
705E68.2Low62.4Low84 Ų84100.3 Ų100.339%0.39355%0.552SS.*Hα-helixtrans-63.5-28.7177.1-152.9-175.5137.100112.6A701 M702 K709A701-E705 PolarHBondContact O-N 3.2Å; M702-E705 PolarHBondContact O-N 2.98Å; E705-K709 PolarHBondContact O-N 2.9Å; E705-K709 IonicContact OE1-NZ 3.19Å; E705-K709 PolarHBondContact OE1-NZ 3.5Å
706K67.8Low59.9Low152 Ų152103.9 Ų103.966%0.66156%0.562SS**Hα-helixtrans-73.1-35.2170.8-87.7-172.6168.5-172.50114.3M702 Y704 I708 A710M702-K706 PolarHBondContact O-N 3.4Å; Y704-K706 PolarHBondContact O-N 2.83Å; K706-I708 VanDerWaalsContact C-N 3.29Å; K706-A710 WeakPolarHBondContact O-CB 3.49Å; K706-A710 PolarHBondContact O-N 3.32Å
707Q53.9Low57.4Low128 Ų128105 Ų10560%0.59857%0.568SS**Hα-helixtrans-72.2-25.8-179.9-74176.824.700112.9D703 Y704 N711D703-Q707 WeakPolarHBondContact O-CG 3.36Å; D703-Q707 PolarHBondContact O-N 3.35Å; Y704-Q707 PolarHBondContact O-N 3.25Å; Y704-Q707 VanDerWaalsContact O-N 3.14Å; Q707-N711 PolarHBondContact O-ND2 2.73Å
708I57.9Low55.1Low26 Ų26108.8 Ų108.813%0.13358%0.579CS.*Hα-helixtrans-69.1-57.1172.8-62160.4000108.9Y704 K706 A710 N711 Q990 D991Y704-I708 WeakPolarHBondContact O-CD1 3.43Å; Y704-I708 WeakPolarHBondContact O-CG1 3.33Å; Y704-I708 PolarHBondContact O-N 3.09Å; K706-I708 VanDerWaalsContact C-N 3.29Å; I708-A710 PolarHBondContact O-N 2.83Å; I708-N711 PolarHBondContact O-N 3.04Å; I708-Q990 VanDerWaalsContact CD1-CD 3.5Å; I708-Q990 HydrophobicContact CD1-CG 4Å; I708-Q990 HydrophobicContact CG1-CG 4.35Å; I708-Q990 HydrophobicContact CG2-CB 4.3Å; I708-Q990 HydrophobicContact CG2-CG 4.38Å; I708-D991 HydrophobicContact CG2-CB 3.93Å; I708-D991 VanDerWaalsContact CG2-OD1 3.28Å; I708-D991 WeakPolarHBondContact CG2-OD1 3.47Å
709K54.3Low52.4Low78 Ų78110.9 Ų110.934%0.33959%0.591SS.*THydrogen-bonded Turntrans-62-5.8179.1-71.4168.5-169.2169.60115.9E705 D992 C993E705-K709 PolarHBondContact O-N 2.9Å; E705-K709 IonicContact OE1-NZ 3.19Å; E705-K709 PolarHBondContact OE1-NZ 3.5Å; K709-D992 WeakPolarHBondContact CA-OD2 3.39Å; K709-D992 WeakPolarHBondContact CE-OD1 3.45Å; K709-D992 VanDerWaalsContact CG-CG 3.45Å; K709-D992 WeakPolarHBondContact CG-OD1 3.45Å; K709-D992 WeakPolarHBondContact CG-OD2 3.42Å; K709-C993 WeakPolarHBondContact CE-O 3.36Å
710A48.7Very low49.8Very low71 Ų71113 Ų11359%0.58761%0.608SS**THydrogen-bonded Turntrans-89.5-15.8179.300000113.8K706 I708K706-A710 WeakPolarHBondContact O-CB 3.49Å; K706-A710 PolarHBondContact O-N 3.32Å; I708-A710 PolarHBondContact O-N 2.83Å
711N37.5Very low47.5Very low138 Ų138116.2 Ų116.274%0.73863%0.627SS**SBendtrans-135.561.9-169.4-64.6-58.7000112.6Q707 I708Q707-N711 PolarHBondContact O-ND2 2.73Å; I708-N711 PolarHBondContact O-N 3.04Å
712G37.2Very low45.5Very low57 Ų57122 Ų12259%0.58864%0.641SS**  trans-146.18.3-167.800000119.5
713L32.7Very low43.3Very low166 Ų166122.8 Ų122.887%0.86965%0.647SS**  trans-152138.4175.3-88.8162.9000107.4
714T35.2Very low41.1Very low114 Ų114125.9 Ų125.970%0.69966%0.664SS**  cis-138.8139.720.648.50000114.7
715E32.3Very low39.1Very low189 Ų189124.6 Ų124.688%0.88367%0.671SS**  trans57.4158141.9-58.3-161.1131.200123.2
716K31.6Very low37.2Very low193 Ų193127.8 Ų127.884%0.83969%0.69SS**  trans-94.9151.3172.2-55169.2-179.8175.30109.1
717I32.8Very low35.6Very low154 Ų154125.9 Ų125.979%0.7969%0.691SS**  175.2132.5122-92.2156000111.4
718N29.9Very low34.4Very low140 Ų140128.6 Ų128.675%0.74971%0.706SS**  trans43.8130.4155.7-60.64.1000124.1
719S26.2Very low33.1Very low92 Ų92135.3 Ų135.364%0.64373%0.734SS**  trans56.8122.7132.865.80000122
720D26.6Very low31.8Very low160 Ų160139.7 Ų139.786%0.85676%0.756SS**  trans54.4105.7130.7-45.4-23.2000119.6
721S28.1Very low30.8Very low125 Ų125145.3 Ų145.387%0.87477%0.77SS**  -170.1172.3112.9-1580000112.9
722F29.3Very low30.4Very low183 Ų183146.5 Ų146.580%0.80377%0.771SS**  trans-79.5174.7-168.4-98.7-114.7000116.9
723D31.7Very low29.8Very low125 Ų125149 Ų14967%0.66878%0.779SS**  trans85.891.2147.5-71.6-41.1000122.8
724N30.4Very low30Very low129 Ų129145.8 Ų145.869%0.6977%0.768SS**  66.1102.2107.8-82-56000122.2
725T28.5Very low29.6Very low113 Ų113149.3 Ų149.369%0.69377%0.774SS**  63.8113.3111.5-50.50000120.7
726L29.3Very low29.4Very low150 Ų150145 Ų14579%0.78577%0.765SS**  -163.2148.4124.3-132.681.7000116.6
727T32.8Very low29.3Very low112 Ų112142.8 Ų142.869%0.68776%0.762SS**  trans55.8101.9150.642.60000124.2
728M29.1Very low29.1Very low186 Ų186140.3 Ų140.392%0.91676%0.758SS**  70.6165.3108.6-90.8-64.5172.500123.4
729K29.9Very low29.1Very low166 Ų166141.7 Ų141.772%0.72276%0.76SS**  trans-147.6125.1-160.5-173.5-178.4-176.1-178.20113
730Q28.5Very low29.3Very low170 Ų170142.2 Ų142.279%0.79477%0.77SS**  trans51.2129.8158.8-67.9178.9-47.400121.2
731H27.5Very low29.5Very low190 Ų190137.7 Ų137.788%0.8876%0.761SS**  trans-141.4171.7146.3-126.3-96.4000110.2
732Q28.4Very low29.6Very low163 Ų163139.1 Ų139.176%0.76276%0.757SS**  trans-115.3135.5-161.5-56.3163.6-54.800114.8
733S25Very low29.6Very low109 Ų109141 Ų14176%0.76276%0.76SS**  trans62178.3144.675.60000118.9
734P37.4Very low29.6Very low98 Ų98142.1 Ų142.164%0.63677%0.766SS**  cis-130.4-171.4-21.220.25.3000114.2
735F26.9Very low29.5Very low189 Ų189140.2 Ų140.283%0.82976%0.763SS**  trans78.8146.2161.1-69.7-74.7000121.5
736S27.4Very low29.5Very low99 Ų99142 Ų14269%0.69277%0.768SS**  trans37125.7157.348.60000119
737D29.7Very low29.4Very low146 Ų146141.1 Ų141.178%0.78177%0.773SS**  cis-163.7163.142-116.7-36.7000115.7
738C28.7Very low29.2Very low102 Ų102143.9 Ų143.969%0.68978%0.783SS**  trans51.1143.2147-66.10000125.1
739Q29.3Very low29.1Very low169 Ų169141 Ų14179%0.7978%0.781SS**  trans71.294.3147.1-103.961.8-13.400123.6
740A30.1Very low29Very low103 Ų103139.2 Ų139.285%0.85178%0.784SS**  63.1144.1120.300000123.4
741G30.7Very low29.1Very low65 Ų65136.5 Ų136.567%0.6778%0.783SS**  trans111.799.5174.900000112.2
742I30.1Very low29.2Very low155 Ų155131.1 Ų131.180%0.79577%0.772SS**  66.8120.453.3-51.1175.1000110.5
743Y29.4Very low29.2Very low222 Ų222131.1 Ų131.187%0.87178%0.775SS**  cis-140.1-160.712-132-34.1000114
744N31.7Very low29.4Very low149 Ų149128.3 Ų128.380%0.79776%0.756SS**  trans-101.9-174-161.7-136.1-16000114.1
745S28.5Very low29.1Very low89 Ų89128.1 Ų128.162%0.62275%0.753SS**  trans-98.3162-174.353.90000115.9
746N29.3Very low29.3Very low150 Ų150122.5 Ų122.580%0.80273%0.731SS**  trans79.5146.5155.7-66.5-16.2000122.4
747C27.3Very low29.4Very low132 Ų132123.5 Ų123.589%0.89273%0.729SS**  trans101.6147.9155.7-650000120.6
748L27.6Very low29.5Very low170 Ų170120.5 Ų120.589%0.8973%0.725SS**  trans-82.2148.5-167.1-63.6143.8000113.5
749S27.8Very low29.4Very low124 Ų124123.3 Ų123.387%0.86773%0.733SS**  174.3179.211944.70000111.3
750V28.3Very low29.4Very low129 Ų129120.5 Ų120.578%0.78273%0.732SS**  trans-116.3141.1-166.6175.80000111.2
751S29.1Very low29.5Very low113 Ų113123.6 Ų123.679%0.7973%0.729SS**  trans64.8160.916365.20000119
752A29.8Very low29.6Very low78 Ų78124.4 Ų124.465%0.64572%0.721SS**  cis-179.2151-3600000108.1
753I29Very low29.9Very low162 Ų162121.5 Ų121.583%0.83171%0.71SS**  trans66.3143.4156-65.3157.8000114.7
754S30.2Very low30.3Very low50 Ų50116.1 Ų116.135%0.3570%0.696SS.*  cis-145.3114.8-9.531.10000107.2N765S754-N765 PolarHBondContact O-N 3.44Å
755T30.3Very low30.5Very low94 Ų94114 Ų11458%0.57769%0.685SS**  73.4-177.475.257.60000113.8N764 N765T755-N764 CarbonylContact O-C 3.26Å; T755-N764 WeakPolarHBondContact O-CA 3.4Å; T755-N765 PolarHBondContact O-N 2.83Å
756L31.5Very low30.9Very low72 Ų72115.5 Ų115.538%0.37769%0.691SS.*  trans88.9121151.3-69.9159.1000113.1T762 T763 N764L756-T762 CarbonylContact C-O 3.4Å; L756-T762 VanDerWaalsContact C-O 3.26Å; L756-T762 WeakPolarHBondContact CA-O 3.49Å; L756-T762 WeakPolarHBondContact CB-O 3.49Å; L756-T762 WeakPolarHBondContact CD2-O 3.3Å; L756-T762 WeakPolarHBondContact CG-O 3.26Å; L756-T763 VanDerWaalsContact C-N 3.29Å; L756-T763 VanDerWaalsContact CB-O 3.3Å; L756-T763 WeakPolarHBondContact CB-O 3.27Å; L756-T763 CarbonylContact O-C 3.44Å; L756-N764 VanDerWaalsContact C-N 3.34Å; L756-N764 PolarHBondContact O-N 3.3Å
757D29.1Very low31Very low119 Ų119114.3 Ų114.364%0.63669%0.689SS**  trans-139.8-175.4-150.3-58.3-91.8000113.4Q761 T762 T763D757-Q761 CarbonylContact O-C 3.56Å; D757-T762 PolarHBondContact N-O 2.78Å; D757-T762 CarbonylContact O-C 2.97Å; D757-T762 WeakPolarHBondContact O-CA 3.36Å; D757-T762 PolarHBondContact O-N 2.72Å; D757-T763 PolarHBondContact O-N 3.38Å
758A31Very low31.2Very low84 Ų84113.5 Ų113.569%0.69468%0.68SS**SBendtrans-165.5138.5165.800000111.1
759D27.1Very low31.2Very low160 Ų160111.3 Ų111.386%0.85667%0.674SS**SBendcis-104.6140.2-8-69.3-53.7000110.3
760S30.4Very low31.1Very low111 Ų111111.2 Ų111.278%0.77667%0.668SS**SBendcis-112.9135.816.9-60.60000113.8
761Q31.4Very low31Very low168 Ų168110.5 Ų110.579%0.78566%0.664SS**SBendtrans79.782.5165-59-173.3-900119.2D757D757-Q761 CarbonylContact O-C 3.56Å
762T33.5Very low31Very low82 Ų82110.6 Ų110.650%0.50366%0.66SS.*  trans67111.6142.755.60000121.6L756 D757L756-T762 CarbonylContact C-O 3.4Å; L756-T762 VanDerWaalsContact C-O 3.26Å; L756-T762 WeakPolarHBondContact CA-O 3.49Å; L756-T762 WeakPolarHBondContact CB-O 3.49Å; L756-T762 WeakPolarHBondContact CD2-O 3.3Å; L756-T762 WeakPolarHBondContact CG-O 3.26Å; D757-T762 PolarHBondContact N-O 2.78Å; D757-T762 CarbonylContact O-C 2.97Å; D757-T762 WeakPolarHBondContact O-CA 3.36Å; D757-T762 PolarHBondContact O-N 2.72Å
763T36.1Very low30.8Very low93 Ų93112.4 Ų112.457%0.57167%0.668SS**  58.989.811765.50000129L756 D757L756-T763 VanDerWaalsContact C-N 3.29Å; L756-T763 VanDerWaalsContact CB-O 3.3Å; L756-T763 WeakPolarHBondContact CB-O 3.27Å; L756-T763 CarbonylContact O-C 3.44Å; D757-T763 PolarHBondContact O-N 3.38Å
764N38.3Very low30.8Very low109 Ų109108 Ų10858%0.58366%0.663SS**  trans60.8150.2145.4-51.3-65000122.2T755 L756T755-N764 CarbonylContact O-C 3.26Å; T755-N764 WeakPolarHBondContact O-CA 3.4Å; L756-N764 VanDerWaalsContact C-N 3.34Å; L756-N764 PolarHBondContact O-N 3.3Å
765N35.3Very low30.7Very low106 Ų106111 Ų11157%0.56768%0.684SS**  cis87.1135.528.8-100.5-40000120.5S754 T755S754-N765 PolarHBondContact O-N 3.44Å; T755-N765 PolarHBondContact O-N 2.83Å
766T37.2Very low30.6Very low120 Ų120113 Ų11374%0.73669%0.689SS**  trans64.4130.4167.957.50000120.3
767T31.5Very low30.4Very low124 Ų124115 Ų11576%0.76170%0.699SS**  cis92.1143.544.69.60000118.6
768T30.1Very low30.3Very low115 Ų115116.3 Ų116.371%0.70671%0.706SS**  trans8295.5151.239.60000123.5
769T27.9Very low30.1Very low125 Ų125115.9 Ų115.977%0.76770%0.698SS**  80.2152.4117.956.40000124.9
770V26.1Very low30.2Very low121 Ų121116.7 Ų116.773%0.73370%0.695SS**  trans86.1133.2154-138.40000121.2
771T26.8Very low30Very low115 Ų115119.4 Ų119.471%0.70670%0.695SS**  trans91.8122.6141.111.80000123
772T29.6Very low29.8Very low114 Ų114115.2 Ų115.270%0.69968%0.684SS**  trans59.1126.3140.343.60000123.4
773S25Very low29.4Very low117 Ų117116.7 Ų116.782%0.81869%0.693SS**  56.7131.9123-49.40000121.5
774G28.9Very low28.8Very low70 Ų70119 Ų11972%0.72270%0.701SS**  trans109.2129-178.800000110.3
775S28.4Very low28.4Very low113 Ų113119.9 Ų119.979%0.7971%0.709SS**  cis59.5122.915.5-67.10000114.4
776I27.9Very low28.2Very low135 Ų135119.5 Ų119.569%0.69271%0.711SS**  cis-164.2144.8-2.6-145.4165.9000111.9
777I26Very low27.6Very low114 Ų114118.1 Ų118.159%0.58571%0.706SS**  trans66.1144.6146-85167.4000121.5
778N28.1Very low27.3Very low147 Ų147118.9 Ų118.979%0.78671%0.705SS**  trans72.1147.7158-78.31.1000120.9
779S26.3Very low27.4Very low75 Ų75119.1 Ų119.152%0.52471%0.706SS.*  cis-162.5-170.1-11.2480000110.5
780F30.1Very low27.4Very low177 Ų177119 Ų11978%0.77670%0.701SS**  trans83.5100-180-55.9-69.3000112
781E26.5Very low27.7Very low168 Ų168121.1 Ų121.179%0.78570%0.703SS**  cis52.4136.344.4-67.4-14784.900113.3
782S26.2Very low27.8Very low79 Ų79119.2 Ų119.255%0.55269%0.694SS**  cis-166.2-150.9-8.4-100.20000105.4
783T25.9Very low28Very low114 Ų114120.9 Ų120.970%0.69970%0.699SS**  trans79.3100.6135.7-51.40000117.3
784I23.5Very low28.1Very low142 Ų142118.5 Ų118.573%0.72869%0.692SS**  trans58.5119.9138.6-53.7172.1000117.6T786I784-T786 HydrophobicContact CG2-CG2 4.16Å
785V30.2Very low28Very low126 Ų126123.2 Ų123.276%0.76470%0.7SS**  -171.1107.1124.31400000103.4
786T29.8Very low27.9Very low98 Ų98121.6 Ų121.660%0.60169%0.693SS**  46.8136.687.168.20000111.5I784I784-T786 HydrophobicContact CG2-CG2 4.16Å
787S24.7Very low27.9Very low91 Ų91120.6 Ų120.664%0.63669%0.693SS**  cis-172.2-177.425.17.60000108.8
788L25.3Very low28Very low141 Ų141124.6 Ų124.674%0.73870%0.702SS**  -0.5148.3128.8-51.282.6000115.7
789V33Very low28Very low119 Ų119123.6 Ų123.672%0.72169%0.692SS**  cis-137.8133.737.8-1720000107.6
790D26.5Very low28.1Very low123 Ų123127.8 Ų127.866%0.65870%0.703SS**  40.6144.192.6-34-73.3000113.3
791E33.3Very low28.1Very low166 Ų166123.7 Ų123.778%0.77670%0.697SS**  cis-146.5141.137.5-84.3-161.583.700110.4
792S29.3Very low28.4Very low75 Ų75121.2 Ų121.252%0.52470%0.698SS.*  96.4148.364.6102.10000112.3
793N32.6Very low28.7Very low148 Ų148122.2 Ų122.279%0.79171%0.705SS**  trans65.4123.7-175-46.5-59.5000115.6
794G26.6Very low29Very low67 Ų67125.2 Ų125.269%0.69171%0.711SS**  cis97.3147.63.300000113.3
795I27.3Very low29.2Very low170 Ų170125.7 Ų125.787%0.87271%0.714SS**  trans71.8135.7178.9-51.9170.6000113.4
796A25.7Very low29Very low78 Ų78124.4 Ų124.465%0.64571%0.711SS**  cis-171.7-152.2-24.100000107
797V29.4Very low29.1Very low114 Ų114125.4 Ų125.469%0.69172%0.719SS**  trans77115138156.10000118.4
798Y27.4Very low29.2Very low199 Ų199131.2 Ų131.278%0.7873%0.728SS**  trans61.4148.5143.2-75.6-116.5000117.7
799H28.6Very low30Very low126 Ų126129.9 Ų129.958%0.58373%0.728SS**  cis169.6149-11.5-130.5-105.3000102.3
800H29Very low29.8Very low162 Ų162129 Ų12975%0.7572%0.719SS**  trans63.9147.6161.8-64.9-45.6000118.5
801S30Very low30.2Very low92 Ų92130.6 Ų130.664%0.64373%0.728SS**  cis-159.1162.9-5.9-111.10000111.4
802S31.8Very low30Very low115 Ų115130.4 Ų130.480%0.80473%0.731SS**  trans68.7138.6164.1-61.30000117.1
803S33Very low30.1Very low100 Ų100133.7 Ų133.770%0.69974%0.742SS**  cis-162.2136.6-5.547.90000111.4
804Q31.6Very low29.9Very low177 Ų177135.7 Ų135.783%0.82774%0.738SS**  trans50.6137.7151.5-58.5-170.222.600119.2
805L28.9Very low29.9Very low153 Ų153140.4 Ų140.480%0.80174%0.742SS**  cis-148.8147.98.4-125.4159.5000109.4
806S24.8Very low30Very low99 Ų99135.8 Ų135.869%0.69274%0.737SS**  trans-117.5177.5-179.167.20000109.4
807P32.3Very low30.4Very low118 Ų118140.1 Ų140.177%0.76675%0.747SS**  cis-139.5171.16.843.8-26.2000117.7
808Y25.8Very low30.3Very low214 Ų214141.2 Ų141.284%0.83975%0.749SS**  trans-74.9-158.3153.1-91.1-83.5000110.3
809P42.7Very low30.6Very low112 Ų112138.9 Ų138.973%0.72776%0.755SS**  cis-126.5-154.7-3726.3-2.7000111.4
810N29.7Very low30.6Very low101 Ų101136.6 Ų136.654%0.5475%0.754SS.*  trans-60.1159168.6-71.7-74.5000115.4T114T114-N810 PolarHBondContact O-ND2 2.77Å; T114-N810 PolarHBondContact O-OD1 3.34Å
811N34.7Very low30.7Very low156 Ų156134.8 Ų134.883%0.83476%0.759SS**  trans-78.8144.8-178.8-63.8-54.4000115
812L29.3Very low30.6Very low163 Ų163137.6 Ų137.685%0.85377%0.767SS**  173.8117.6128.4-96.6158.4000111.4
813L30.2Very low30.3Very low143 Ų143137 Ų13775%0.74976%0.763SS**  167.9148.5105.8-140.374.2000114.5
814R28.4Very low29.9Very low190 Ų190136.5 Ų136.572%0.71776%0.76SS**  trans53.1104149.5-92-177.2170.7-90.3-5.2123.4
815H28.2Very low29.7Very low166 Ų166134.5 Ų134.577%0.76976%0.759SS**  74.8143.3111.4-75.29.3000123.4
816G27.9Very low29.4Very low74 Ų74133 Ų13376%0.76376%0.756SS**  trans107.1128.9177.700000111.1
817I35.2Very low29.5Very low169 Ų169132.2 Ų132.287%0.86775%0.751SS**  cis-138163.25.6-74.3172000109.5
818N27.4Very low29.1Very low136 Ų136133 Ų13373%0.72775%0.749SS**  trans-58.6141.1-175.1-63.6-31.5000116.3
819V33.1Very low29.5Very low150 Ų150130 Ų13091%0.90974%0.742SS**  -131.6138.8114.2-179.80000107.1
820S28.6Very low28.8Very low79 Ų79130.8 Ų130.855%0.55274%0.74SS**  trans-141.9133.4-167.6580000113.4
821S32.3Very low28.7Very low123 Ų123131.8 Ų131.886%0.8675%0.746SS**  trans-137.7136.8167-64.80000108.8
822N27.9Very low28.4Very low151 Ų151127.9 Ų127.981%0.80773%0.73SS**  trans-114.9151.2-160.8-71.7-29.6000114.8
823S24Very low28.3Very low103 Ų103129 Ų12972%0.7273%0.729SS**  trans66.2127.5144.6-170.90000120.9
824S24.9Very low28.2Very low90 Ų90126.9 Ų126.963%0.62972%0.718SS**  trans69.5149143.861.10000119.9
825T26.8Very low28.2Very low134 Ų134123.7 Ų123.782%0.82272%0.715SS**  trans65.5160.8-179.780.90000113.2
826V24.1Very low28.2Very low121 Ų121122 Ų12273%0.73371%0.71SS**  cis-162.2166.8-25.9131.50000104.9
827S25.6Very low28.3Very low84 Ų84124.6 Ų124.659%0.58771%0.707SS**  trans57110.2161.465.70000120.4
828N25.2Very low28Very low134 Ų134121.6 Ų121.672%0.71769%0.693SS**  78.2147.4119.6-61.13000122.3
829H33Very low28.1Very low152 Ų152121.9 Ų121.970%0.70469%0.693SS**  trans59.1107.2159.5-57.3-48000116.5
830N28.9Very low27.7Very low127 Ų127119.4 Ų119.468%0.67968%0.683SS**SBendcis-157157.811.4-77.8-41.2000106.9
831N27.2Very low27.7Very low123 Ų123121.6 Ų121.666%0.65870%0.697SS**  cis-167.2161.4-0.4-109.72000107.6
832S28.1Very low27.4Very low73 Ų73122.3 Ų122.351%0.5170%0.696SS.*  cis56.698.219.5-80.70000115
833F28.3Very low28Very low188 Ų188120.2 Ų120.283%0.82569%0.691SS**  -139.6147.852.3-77.3-95.2000111.2
834D26.4Very low28.4Very low97 Ų97121.7 Ų121.752%0.51970%0.695SS.*  cis-170.6173-13.3-13125.7000110.5
835N28.5Very low28.6Very low124 Ų124123.1 Ų123.166%0.66370%0.7SS**  trans69.5129.6146.4-83.8-51.9000122.8
836I29.4Very low28.7Very low129 Ų129122.5 Ų122.566%0.66270%0.7SS**  trans85.498.8131.5-69.5169.1000118.9
837N29.8Very low29Very low130 Ų130127 Ų12770%0.69571%0.705SS**  trans71.9144.9131.3-61.53.5000119.4
838N29.1Very low29.1Very low106 Ų106127.4 Ų127.457%0.56771%0.708SS**  cis-157.7154.7-0.4-127.7-11.6000114.1
839L28.1Very low29.1Very low141 Ų141126.8 Ų126.874%0.73872%0.715SS**  trans48.1137.3144.9-74.3163.5000122.1I1318L839-I1318 HydrophobicContact CD1-CD1 4.17Å
840S26.4Very low28.7Very low98 Ų98125.9 Ų125.969%0.68572%0.719SS**  trans-103.7157-179.752.50000113.8
841C26.9Very low28.6Very low126 Ų126128 Ų12885%0.85173%0.725SS**  trans64.3167.7148-67.90000120.7
842T26.9Very low28.6Very low138 Ų138127.1 Ų127.185%0.84772%0.724SS**  trans-121.4155.3172.443.50000110.4
843P39.5Very low28.4Very low107 Ų107129.7 Ų129.770%0.69574%0.741SS**  trans-117172.1-15642.1-33000115.4
844T32.5Very low28.5Very low133 Ų133125.8 Ų125.882%0.81673%0.734SS**  trans-164.496.3144.6-71.70000105.8
845V29.7Very low28.6Very low120 Ų120126 Ų12673%0.72774%0.743SS**  68.9110.779.8176.70000113.5
846C28.3Very low28.5Very low122 Ų122126.3 Ų126.382%0.82475%0.749SS**  trans-143.2163.5145.1-96.10000110.1
847Y30.5Very low28.3Very low215 Ų215126.9 Ų126.984%0.84375%0.754SS**  trans-48.5163.4177.8-69.1-107.6000114.8
848S27.8Very low28Very low92 Ų92129.2 Ų129.264%0.64376%0.76SS**  cis-175.6134.9-25.3-93.30000108
849S25.3Very low27.8Very low122 Ų122131.1 Ų131.185%0.85377%0.769SS**  trans4969.7156.4-55.70000119.3
850V25.9Very low27.6Very low133 Ų133129.1 Ų129.181%0.80676%0.763SS**  trans-119.9100.4149.7174.50000104.8
851Q27.1Very low27.9Very low172 Ų172131.6 Ų131.680%0.80477%0.767SS**  45.586.977.5-170.2154.1-500113.8
852T26.8Very low27.8Very low104 Ų104130 Ų13064%0.63876%0.756SS**  trans51100.8158.949.20000115.8
853C23.9Very low27.9Very low126 Ų126127.3 Ų127.385%0.85174%0.743SS**  30.382.768.6-70.80000111.2
854P30.8Very low27.4Very low107 Ų107132 Ų13270%0.69575%0.753SS**  trans-92.5176-16437.8-38.4000114.1
855S28.3Very low27.1Very low100 Ų100131.9 Ų131.970%0.69975%0.746SS**  trans55.1110.8157.949.60000117.5
856V25.9Very low27.6Very low131 Ų131131.4 Ų131.479%0.79475%0.745SS**  67.9132.451.3-173.20000113
857N24.5Very low27.8Very low142 Ų142131 Ų13176%0.75974%0.744SS**SBendtrans-14.5149.6170.5-52.2-4000118.6I859N857-I859 PolarHBondContact O-N 3.49Å; N857-I859 VanDerWaalsContact O-N 3.14Å
858E23.5Very low27.8Very low178 Ų178125.5 Ų125.583%0.83274%0.737SS**  trans-46.2114.6168.8-63.3176.6107.900112.9T860E858-T860 VanDerWaalsContact C-N 3.34Å; E858-T860 PolarHBondContact O-N 3.37Å
859I25.5Very low28Very low146 Ų146129.7 Ų129.775%0.74975%0.746SS**  trans-94.575.6155.9-59.1-178.3000107N857 I861N857-I859 PolarHBondContact O-N 3.49Å; N857-I859 VanDerWaalsContact O-N 3.14Å; I859-I861 HydrophobicContact CG2-CB 4.47Å; I859-I861 HydrophobicContact CG2-CD1 3.61Å; I859-I861 HydrophobicContact CG2-CG1 3.67Å; I859-I861 PolarHBondContact O-N 3.42Å
860T24.7Very low28.2Very low99 Ų99130.8 Ų130.861%0.60774%0.742SS**  trans-77.675.5167.1-57.50000108.4E858 C862E858-T860 VanDerWaalsContact C-N 3.34Å; E858-T860 PolarHBondContact O-N 3.37Å; T860-C862 PolarHBondContact O-N 2.74Å
861I32.3Very low28.3Very low151 Ų151130.9 Ų130.977%0.77474%0.742SS**  trans-72.390.5162.7-73.1168.5000107.5I859I859-I861 HydrophobicContact CG2-CB 4.47Å; I859-I861 HydrophobicContact CG2-CD1 3.61Å; I859-I861 HydrophobicContact CG2-CG1 3.67Å; I859-I861 PolarHBondContact O-N 3.42Å
862C24.8Very low28.6Very low91 Ų91126.9 Ų126.962%0.61574%0.739SS**  trans-47.8155160.3-760000112.5T860T860-C862 PolarHBondContact O-N 2.74Å
863S27.5Very low28.8Very low82 Ų82127.3 Ų127.357%0.57375%0.746SS**  cis-174.4172.9-4.443.80000111.7L865S863-L865 WeakPolarHBondContact O-CD1 3.32Å; S863-L865 WeakPolarHBondContact OG-CD1 3.01Å
864K29.4Very low29.1Very low207 Ų207126.6 Ų126.690%0.974%0.742SS**SBendtrans-117.1103132.7-74.6-177.5175.7179.30105.9
865L27.2Very low28.8Very low130 Ų130129.8 Ų129.868%0.68175%0.753SS**  67.314575-83.989.5000113.5S863S863-L865 WeakPolarHBondContact O-CD1 3.32Å; S863-L865 WeakPolarHBondContact OG-CD1 3.01Å
866P40.5Very low29.4Very low109 Ų109130.4 Ų130.471%0.70875%0.754SS**  cis-143.7153.1-25.337.7-20.1000116.3
867S31.7Very low29.4Very low114 Ų114130.4 Ų130.480%0.79776%0.755SS**  trans-178.5133.8146.5-76.80000107.4
868S30.9Very low29.5Very low99 Ų99125.6 Ų125.669%0.69273%0.731SS**  cis84.5114.124.783.70000115.7
869Q30.7Very low29.9Very low180 Ų180119.8 Ų119.884%0.84171%0.71SS**  trans72.3139.8178.2-53.4-170.810.700114.9
870L29.7Very low30.1Very low145 Ų145118.2 Ų118.276%0.75970%0.703SS**  cis-135.8152.6-1-84.2105.9000112.8
871V29.8Very low30.4Very low135 Ų135120.1 Ų120.182%0.81871%0.71SS**  trans35.1113.8138.7-174.90000120.6
872A32Very low30.5Very low89 Ų89118.5 Ų118.574%0.73671%0.707SS**  -176.1147.5118.300000112.9
873S31.6Very low30.8Very low112 Ų112120 Ų12078%0.78371%0.713SS**  trans-26.5121.2174.348.10000117.2
874S29.7Very low30.7Very low111 Ų111123.5 Ų123.578%0.77673%0.725SS**  cis89.583.749.9-63.70000116.6
875L24.7Very low30.8Very low175 Ų175121.1 Ų121.192%0.91672%0.717SS**  42160.9116.8-70.2170.9000122.8
876P40.9Very low30.9Very low112 Ų112120.5 Ų120.573%0.72772%0.718SS**  trans-115.8-171.7-150.445.1-37.4000115.5
877V26.9Very low30.4Very low132 Ų132119.8 Ų119.880%0.871%0.712SS**  trans-162.2170.9149.8124.30000114.9
878C26.3Very low30.2Very low40 Ų40121 Ų12127%0.2771%0.705SS.*  trans-70.9125.3-160.5-520000121.2V278 I279 H280V278-C878 WeakPolarHBondContact CA-O 3.46Å; V278-C878 PolarHBondContact N-O 3.38Å; I279-C878 HydrophobicContact CG1-CB 4.3Å; H280-C878 VanDerWaalsContact CD2-SG 3.55Å; H280-C878 PolarHBondContact NE2-SG 2.81Å
879S30.6Very low30.1Very low56 Ų56124 Ų12439%0.39271%0.708SS.*  80.8175.7115.4-48.10000125I279 H280I279-S879 WeakPolarHBondContact O-CB 3.47Å; H280-S879 PolarHBondContact CD2-OG 2.86Å; H280-S879 PolarHBondContact N-OG 2.92Å
880N30.4Very low30Very low113 Ų113121.2 Ų121.260%0.60471%0.708SS**  trans95.6167.3172.6-112.2-22.8000118.9V278V278-N880 PolarHBondContact O-ND2 2.82Å
881N31.9Very low29.9Very low139 Ų139120.6 Ų120.674%0.74371%0.71SS**  trans-93.7159.7-145-102.2-19.3000118.7
882T32.7Very low30Very low117 Ų117119.6 Ų119.672%0.71871%0.706SS**  trans67.5110.9149.644.10000123.4
883V31.5Very low29.7Very low123 Ų123122.3 Ų122.375%0.74571%0.707SS**  77.6129.3120.6175.20000121.6
884L26Very low29.6Very low156 Ų156125 Ų12582%0.81771%0.709SS**  trans6395160.2-76.4165.8000121.4
885H32.2Very low29.6Very low156 Ų156123.2 Ų123.272%0.72270%0.697SS**  -7.4130.9128.6-176.7-85000118.5
886V28.8Very low30Very low117 Ų117122.2 Ų122.271%0.70969%0.692SS**  -173.7113.6128.7143.80000110.8
887T28.5Very low29.4Very low95 Ų95120 Ų12058%0.58369%0.689SS**  trans39170.7144.183.60000122.3
888H28.7Very low29.6Very low140 Ų140121.4 Ų121.465%0.64869%0.691SS**  cis-148.4148.74.1-117.9-42.9000112.4
889Q27.5Very low29.8Very low161 Ų161124.8 Ų124.875%0.75271%0.71SS**  trans38.6126.2142.2-72.8167-11.300122.8
890S28.6Very low29.5Very low121 Ų121127.3 Ų127.385%0.84672%0.723SS**  -164154.7125.5-20000109.6
891V29.5Very low29.7Very low132 Ų132125.2 Ų125.280%0.872%0.717SS**  cis176.8159.5-27.3113.10000107
892P30.9Very low30Very low114 Ų114125.9 Ų125.974%0.7472%0.721SS**  cis-129.7-158-24.842-24.1000112.4
893I26.1Very low29.7Very low147 Ų147127.8 Ų127.875%0.75473%0.726SS**  trans-76.8146.1169.4-65.9153.4000111.7
894M28.6Very low30.2Very low168 Ų168126.3 Ų126.383%0.82871%0.714SS**  -176.2108125.7-95.1-179.679.800109.1
895S31Very low30.4Very low74 Ų74125.9 Ų125.952%0.51771%0.705SS.*  86.2151.16577.50000112.4
896N32.9Very low30.1Very low153 Ų153125.7 Ų125.782%0.81871%0.708SS**  cis-160.915834.6-113.1-38000112.5
897G28.2Very low29.9Very low65 Ų65128.9 Ų128.967%0.6771%0.713SS**  trans81.5164.3162.600000116.9
898I30.4Very low29.7Very low162 Ų162129.6 Ų129.683%0.83172%0.718SS**  cis-127.9102.44.5-66.6-178.2000111.5
899T30.1Very low29.5Very low111 Ų111128.6 Ų128.668%0.68172%0.722SS**  trans34.6122.7140.465.20000123
900V25.5Very low29.5Very low109 Ų109128.4 Ų128.466%0.66172%0.721SS**  trans57.4113.5138.1-172.20000117.5
901S33.2Very low29.3Very low69 Ų69128.9 Ų128.948%0.48371%0.713SS.*  trans84130.6-168.7-29.60000111.9
902D39Very low29.2Very low154 Ų154128 Ų12882%0.82471%0.708SS**SBendcis-101.9141.40.4-70.1-46.1000113.4
903L27Very low28.8Very low156 Ų156129.4 Ų129.482%0.81771%0.709SS**SBendcis-93.5130.3-4.3-91.6176.3000113.6K905L903-K905 PolarHBondContact O-N 3.42Å
904L41.4Very low28.7Very low93 Ų93129.3 Ų129.349%0.48771%0.711SS.*  trans-44.391.5149-174.380.1000112.6
905K29.5Very low28.6Very low147 Ų147126.9 Ų126.964%0.63971%0.71SS**  trans73152.1140.3-59.2172.4-175.5167.80117.1L903L903-K905 PolarHBondContact O-N 3.42Å
906L25.8Very low28.5Very low151 Ų151127.3 Ų127.379%0.79173%0.726SS**  cis-157.6167.7-10.4-120.6169.1000110.9
907F24.7Very low28.2Very low184 Ų184125.3 Ų125.381%0.80772%0.715SS**  trans-80.7162.3157.4-128.4-95.7000110.1
908T26Very low28.4Very low111 Ų111127.2 Ų127.268%0.68172%0.718SS**  trans72.5130.1169.165.70000119.9
909T24.4Very low28.4Very low119 Ų119126.4 Ų126.473%0.7372%0.716SS**  trans45.6113.6146.558.10000118.7
910Q27.4Very low28.3Very low157 Ų157128.3 Ų128.373%0.73471%0.714SS**  -163.8151.673.2-88.2-75.444.400113.3
911L23Very low28.6Very low130 Ų130128.3 Ų128.368%0.68172%0.717SS**  trans30136.7146.2-67163.8000123.3
912T27.5Very low28.3Very low113 Ų113130.9 Ų130.969%0.69373%0.729SS**  trans60.2105.8141.356.80000121.2
913N23.6Very low27.8Very low144 Ų144130.2 Ų130.277%0.7772%0.724SS**  37.1130.4116.9-55.3-0.8000121
914N23.8Very low27.8Very low146 Ų146131.2 Ų131.278%0.78172%0.722SS**  trans79.4106.7148.8-62.3-11000121.3
915S25.6Very low27Very low117 Ų117133.4 Ų133.482%0.81873%0.734SS**  trans53.7119.1134.466.60000121.5
916G29.4Very low26.9Very low82 Ų82130.7 Ų130.785%0.84573%0.734SS**  trans-150.466.1178.300000116.1
917N27.4Very low26.9Very low112 Ų112128.6 Ų128.660%0.59973%0.728SS**  trans-32.4137.1174.4-82.9-80.5000119.5K920N917-K920 HydrophobicContact CB-CG 4.48Å; N917-K920 WeakPolarHBondContact OD1-CG 3.44Å
918S31.4Very low27Very low104 Ų104125.7 Ų125.773%0.72772%0.72SS**SBend-165.8129.2127.450.30000110.2
919N29.8Very low27Very low146 Ų146125.8 Ų125.878%0.78172%0.716SS**SBendcis-132.9119-11.8-64.9-52.9000107.4
920K29.6Very low27.2Very low151 Ų151125.2 Ų125.266%0.65771%0.709SS**  75.9147.472.7-93.1-171.3174.1178.30114.9N917N917-K920 HydrophobicContact CB-CG 4.48Å; N917-K920 WeakPolarHBondContact OD1-CG 3.44Å
921P30.1Very low27.1Very low109 Ų109123.5 Ų123.571%0.70870%0.704SS**  cis-140.5-173.20.535.9-13.1000117
922V27.6Very low27.3Very low122 Ų122124 Ų12474%0.73971%0.708SS**  trans92100.8154.4-178.90000121.6
923I29.1Very low27.3Very low141 Ų141123.3 Ų123.372%0.72371%0.707SS**  trans80.3116.6133.5-66.4-179.6000124.2
924F26.4Very low27.5Very low176 Ų176121 Ų12177%0.77270%0.703SS**  trans36.8140.9139-69.8-98.2000126.3
925D24.2Very low27.6Very low140 Ų140124.3 Ų124.375%0.74971%0.706SS**  trans54.8154.1136-72-6.1000122.9
926S28Very low27.7Very low90 Ų90123.7 Ų123.763%0.62970%0.702SS**  cis-166.8158.1-10.247.70000113.6
927T25.5Very low27.7Very low107 Ų107124.4 Ų124.466%0.65669%0.694SS**  trans41.7144.5146.955.80000125.4
928L27.5Very low27.8Very low122 Ų122128.1 Ų128.164%0.63971%0.705SS**  trans70.7158.4147.1-98.875.1000118.4
929D25.6Very low27.5Very low113 Ų113129 Ų12960%0.60471%0.705SS**  cis-154.5164.3-18.6-152.38.5000114.5
930N27.9Very low27.4Very low108 Ų108130.2 Ų130.258%0.57871%0.706SS**  trans31123.7145.9-83.8-45.1000124.9
931N26.9Very low27.2Very low120 Ų120128.3 Ų128.364%0.64271%0.712SS**  77.7120.5124.6-69.4-31.7000124.8
932N25.8Very low27.1Very low141 Ų141129.4 Ų129.475%0.75472%0.717SS**  59.4137.4125.6-65.2-38.2000121.5
933S27.1Very low27.3Very low98 Ų98130.5 Ų130.569%0.68572%0.717SS**  cis-167.6163.7-0.649.60000112.1
934S28.1Very low27.5Very low97 Ų97129 Ų12968%0.67872%0.715SS**  trans34.1124.4147.5-54.50000119.5
935Y26.8Very low27.7Very low214 Ų214127.9 Ų127.984%0.83972%0.716SS**  -170.315276.1-112.3-83.3000112.8
936S27Very low28.3Very low105 Ų105125 Ų12573%0.73471%0.705SS**  trans54.1143.9154.4-74.40000120.3
937S29.1Very low28.3Very low96 Ų96123.6 Ų123.667%0.67169%0.694SS**  cis-171.4145.5-8.951.50000109.9
938K30Very low28.6Very low191 Ų191121.3 Ų121.383%0.8369%0.686SS**  trans62.6121.5169.8-61-177.9174.3-179.60113.8
939V26.1Very low28.5Very low122 Ų122119.9 Ų119.974%0.73968%0.679SS**  50.8105.970.6-173.90000108.7
940Q26.4Very low28.8Very low171 Ų171121.2 Ų121.280%0.79969%0.686SS**  -158.8163.759-143.9146.3-3700112.8
941S25.8Very low28.9Very low112 Ų112119.5 Ų119.578%0.78369%0.687SS**  trans4997.8154.456.60000119.9
942T28.6Very low29Very low132 Ų132119.2 Ų119.281%0.8169%0.694SS**  trans-82.4147.8137.9170000107.9
943I32.1Very low29.3Very low144 Ų144118.1 Ų118.174%0.73868%0.683SS**  cis-170154.645.5-118.7148.8000105
944T31.8Very low29.2Very low110 Ų110120.6 Ų120.668%0.67569%0.688SS**  cis-151.7135.721.97.10000107.7
945L30.9Very low29.2Very low153 Ų153119.9 Ų119.980%0.80169%0.688SS**  69.5164.785.8-67.5-173.3000116.4
946P36.8Very low29.4Very low79 Ų79116 Ų11651%0.51369%0.687SS.*  cis-121-174.9-16.534.6-16000111.6
947C29.3Very low29.4Very low60 Ų60118.1 Ų118.141%0.40569%0.69SS.*  cis-129.4155.49.1-600000108.6
948A30.1Very low29.4Very low60 Ų60121.6 Ų121.650%0.49670%0.701SS.*  cis64.5135.946.500000114.1F1295A948-F1295 VanDerWaalsContact O-CE1 3.25Å; A948-F1295 WeakPolarHBondContact O-CE1 3.14Å
949L27.1Very low29.3Very low92 Ų92121.8 Ų121.848%0.48270%0.702SS.*  cis-166.7150.5-10.1-119.5172.2000109T1293 T1294L949-T1293 HydrophobicContact CB-CG2 4.42Å; L949-T1293 HydrophobicContact CD1-CG2 4.1Å; L949-T1293 HydrophobicContact CD2-CG2 4.23Å; L949-T1294 VanDerWaalsContact CB-OG1 3.32Å; L949-T1294 WeakPolarHBondContact CB-OG1 3.2Å
950N30.8Very low29.3Very low140 Ų140124 Ų12475%0.74971%0.705SS**  trans-159.4161.9150.2-120.1-16.1000114.7
951A31.2Very low29.2Very low73 Ų73121.8 Ų121.860%0.60370%0.698SS**  trans-67.5170.2-172.300000114.5
952S29Very low29.1Very low114 Ų114123.2 Ų123.280%0.79770%0.695SS**  cis-154.9176.526.2-1600000116.2
953K30.6Very low28.8Very low118 Ų118123.8 Ų123.851%0.51369%0.693SS.*  trans-62164.6169.1-65.1172.9-177.7176.80111.4T1291K953-T1291 WeakPolarHBondContact CE-OG1 3.28Å; K953-T1291 PolarHBondContact NZ-OG1 2.96Å
954N25.1Very low28.6Very low149 Ų149126.3 Ų126.380%0.79770%0.699SS**  cis-162.7174.14.1-123.25.3000109.7
955A29.7Very low28.2Very low82 Ų82128.3 Ų128.368%0.67871%0.705SS**  trans127.8133.5140.500000119.4
956T29.3Very low28.1Very low134 Ų134124.1 Ų124.182%0.82270%0.699SS**  trans58.1125.6147.450.60000123.5
957N27.1Very low27.7Very low149 Ų149127.5 Ų127.580%0.79771%0.713SS**  trans-12.7136.9151.8-61.3-22.5000118.6
958N28.7Very low27.6Very low168 Ų168132.3 Ų132.390%0.89873%0.733SS**  -162.2162.3115.1-109.6-29.1000114
959K28.4Very low27.7Very low196 Ų196134.1 Ų134.185%0.85274%0.74SS**  trans-142147.6171.4-128.6179.7-173.11750108.6
960Q26.4Very low27.7Very low169 Ų169136.3 Ų136.379%0.7975%0.752SS**  trans96.6146.8176.1-56-169.515.500118.1
961N25.3Very low27.5Very low123 Ų123137.1 Ų137.166%0.65876%0.755SS**  trans65.7137.6157-56.8-24.3000116.9
962I23.7Very low27.4Very low142 Ų142136.8 Ų136.873%0.72875%0.752SS**  cis69.1101.449.3-59.6176.6000111.9
963L22.3Very low27.4Very low145 Ų145138.5 Ų138.576%0.75975%0.753SS**  trans56.5130170.6-82.775.6000115.9
964F26.8Very low27.3Very low197 Ų197137.3 Ų137.386%0.86476%0.759SS**  -151.3165.675-117.3-89.8000114.8
965N23.5Very low27.5Very low152 Ų152135.5 Ų135.581%0.81376%0.758SS**  trans-76.6140.6168.9-77.3-11.6000112
966G28.6Very low27.4Very low64 Ų64136.3 Ų136.366%0.6676%0.759SS**  trans-140.7126.7140.900000107.2
967N27.9Very low27.4Very low151 Ų151137.3 Ų137.381%0.80776%0.757SS**  58.7109.166.5-67-0.6000109.3
968L27.4Very low27.4Very low160 Ų160134.9 Ų134.984%0.83875%0.752SS**  cis-135.5179.129.9-111.961.7000112.6
969P31.8Very low27.9Very low98 Ų98131.9 Ų131.964%0.63675%0.745SS**  trans-140.3-150.9-139.829.7-0.1000114
970L27.3Very low28.2Very low139 Ų139128.2 Ų128.273%0.72874%0.741SS**  trans79.1110.4160.1-52.5-173.6000115.6
971L26.7Very low28.2Very low157 Ų157130.7 Ų130.782%0.82274%0.744SS**  82.7144.977.7-81.2-168.3000112.5
972A29.6Very low28.5Very low66 Ų66130 Ų13055%0.54575%0.75SS.*  cis-156159.52.700000112.2
973N28.7Very low28.8Very low150 Ų150129.1 Ų129.180%0.80275%0.75SS**  trans63.2147.4143.8-65.8-4000119.8
974S28.7Very low28.9Very low92 Ų92129 Ų12964%0.64375%0.75SS**  cis-165.3160.5-8.541.40000110.9
975S30.1Very low28.8Very low112 Ų112126.5 Ų126.578%0.78375%0.746SS**  trans62.3139.2166.649.80000117.9
976S27Very low28.8Very low99 Ų99125 Ų12569%0.69274%0.743SS**  cis-168.4175.7-9.449.20000110.9
977I28.7Very low28.6Very low154 Ų154127.8 Ų127.879%0.7975%0.746SS**  trans85142.3166.1-53.4165.2000116.6
978S28.9Very low28.4Very low98 Ų98127.1 Ų127.169%0.68574%0.742SS**  trans63.178.2167.948.60000120.7
979S37.9Very low28.2Very low106 Ų106125.7 Ų125.774%0.74173%0.729SS**  5396.7125.162.40000122.4
980P34.8Very low27.8Very low119 Ų119126 Ų12677%0.77372%0.722SS**  trans-108.1140.4135.634.4-26.8000109.7
981Y27.6Very low27.8Very low220 Ų220124.6 Ų124.686%0.86372%0.715SS**  cis56.672.649.1-81.5-75.5000115.5
982S31.4Very low27.8Very low110 Ų110121 Ų12177%0.76970%0.696SS**  trans-179.1131.4130.8-88.40000117
983V29.8Very low27.6Very low123 Ų123121.4 Ų121.475%0.74570%0.695SS**  trans74.4141.1132174.50000121.2
984N24.5Very low27.5Very low141 Ų141118 Ų11875%0.75469%0.687SS**  trans79.1107.6163-79.4-18.4000121
985N24.5Very low27.7Very low145 Ų145119.4 Ų119.478%0.77569%0.694SS**  64.1144.3119.7-119.6-4.2000121.7
986T23.6Very low27.4Very low121 Ų121121.6 Ų121.674%0.74270%0.695SS**  trans76.4141.6171.2740000118.9
987V23.9Very low27.4Very low122 Ų122127.1 Ų127.174%0.73970%0.702SS**  trans75.9119.4141.7162.80000119.8
988I24.1Very low27.3Very low138 Ų138125.7 Ų125.771%0.70870%0.701SS**  trans86.6100.2150.1-80.4170.2000119.8
989K22.9Very low27.5Very low130 Ų130126.2 Ų126.257%0.56570%0.702SS**  59133.5124.1-66.7173.9160.8-167.20121.7
990Q23.5Very low26.8Very low105 Ų105128.4 Ų128.449%0.49170%0.704SS.*  trans68.4143.4133.7-63.7156.9-15.400115.2I708I708-Q990 VanDerWaalsContact CD1-CD 3.5Å; I708-Q990 HydrophobicContact CD1-CG 4Å; I708-Q990 HydrophobicContact CG1-CG 4.35Å; I708-Q990 HydrophobicContact CG2-CB 4.3Å; I708-Q990 HydrophobicContact CG2-CG 4.38Å
991D27.7Very low26.4Very low108 Ų108131 Ų13158%0.57871%0.706SS**  cis-120.9-174.613.4-33.4-70.5000110.5I708I708-D991 HydrophobicContact CG2-CB 3.93Å; I708-D991 VanDerWaalsContact CG2-OD1 3.28Å; I708-D991 WeakPolarHBondContact CG2-OD1 3.47Å
992D27Very low26.5Very low81 Ų81126 Ų12643%0.43370%0.699SS.*  cis-151.4-162.7-11.3-148.7-28.4000110.6K709K709-D992 WeakPolarHBondContact CA-OD2 3.39Å; K709-D992 WeakPolarHBondContact CE-OD1 3.45Å; K709-D992 VanDerWaalsContact CG-CG 3.45Å; K709-D992 WeakPolarHBondContact CG-OD1 3.45Å; K709-D992 WeakPolarHBondContact CG-OD2 3.42Å
993C24.7Very low26.3Very low76 Ų76127.7 Ų127.751%0.51470%0.698SS.*  trans-147.1-179.9-178.6-10000114.1K709K709-C993 WeakPolarHBondContact CE-O 3.36Å
994A25.4Very low26.2Very low77 Ų77128 Ų12864%0.63669%0.694SS**  trans83.2157164.100000117.5
995P33.9Very low26.4Very low122 Ų122126 Ų12679%0.79269%0.687SS**  cis-110.2142.22.637.6-27.8000116.1
996I24.2Very low26.6Very low159 Ų159125 Ų12582%0.81569%0.686SS**SBendtrans-112.4112.5143.8-71.4-179000105.8
997Y26.8Very low26.9Very low215 Ų215125 Ų12584%0.84369%0.686SS**  trans53.2117162.3-79.3-100.2000120.4
998T26.9Very low27.1Very low123 Ų123125.1 Ų125.176%0.75569%0.687SS**  trans-87-173.3141.262.60000108.5
999P32.1Very low27.8Very low109 Ų109124.1 Ų124.171%0.70869%0.69SS**  -122.5-174-111.931.3-8.8000114.7
1000L24.4Very low28.2Very low152 Ų152122.4 Ų122.480%0.79670%0.7SS**  trans44107.5156.2-95.963.9000119.8
1001E24.9Very low28.4Very low173 Ų173125.5 Ų125.581%0.80872%0.717SS**  35.4121.7114.4-74.7-175.616200121.5
1002T30.1Very low28.3Very low116 Ų116125.6 Ų125.671%0.71272%0.721SS**  78.7116.1129.6-48.60000121.1
1003I27Very low28.3Very low146 Ų146128.5 Ų128.575%0.74974%0.737SS**  trans-141.9144.7146.3-42.1-179.7000104
1004I28.7Very low28.4Very low129 Ų129133.5 Ų133.566%0.66275%0.752SS**  cis-131145.623.1-54.1152.4000109.6
1005T27.8Very low28.7Very low99 Ų99138.8 Ų138.861%0.60776%0.762SS**  cis92.277.61.3820000120.4
1006T28.8Very low28.6Very low124 Ų124139 Ų13976%0.76176%0.762SS**  trans-169147.1160.6280000111.9
1007T29.6Very low29Very low120 Ų120138.8 Ų138.874%0.73676%0.76SS**  cis-158.4164.5-17.38.50000113.3
1008T29Very low29.5Very low125 Ų125133.4 Ų133.477%0.76775%0.752SS**  trans-35.4-180161.427.10000119.2
1009P38.2Very low29.7Very low117 Ų117134.2 Ų134.276%0.7675%0.75SS**  cis-152.8170.932.945.9-23.8000123
1010A31.3Very low29.6Very low94 Ų94136.4 Ų136.478%0.77776%0.755SS**  trans17.1158.8138.700000124.1
1011M27.5Very low29.7Very low171 Ų171133.4 Ų133.484%0.84275%0.747SS**  cis-174.6177.3-31.9-130.2-76.8161.100110.3
1012T27Very low30.7Very low109 Ų109131 Ų13167%0.66975%0.746SS**  trans78.9127.3165.162.40000122.1
1013N25.5Very low30.8Very low142 Ų142130 Ų13076%0.75974%0.744SS**  trans79.8129.1136.6-6713.2000124.7
1014E27.2Very low31.1Very low181 Ų181130 Ų13085%0.84674%0.744SS**  trans75.1134151.9-66.8-174.1178.300123.7
1015F30.8Very low31.1Very low189 Ų189130.4 Ų130.483%0.82975%0.746SS**  trans-41.4159.3174-78.1-88.1000116.6
1016P32.7Very low31.3Very low125 Ų125135 Ų13581%0.81276%0.757SS**  cis-148.9166.744.444-24000120.9
1017M32.7Very low31.3Very low156 Ų156136.2 Ų136.277%0.76876%0.758SS**  trans-79.2-174.7157.7-82.8-75.5-7800110
1018P38.2Very low31.2Very low102 Ų102137.4 Ų137.466%0.66276%0.76SS**  cis-122.3-151.29.731.7-6.1000111.5
1019I29.2Very low31.2Very low140 Ų140138.5 Ų138.572%0.71876%0.761SS**  cis-151.6-176.916.34.4174.3000108.3
1020L32Very low30.9Very low155 Ų155140.5 Ų140.581%0.81276%0.76SS**  cis-141.1149.913.9-130.2178.9000109.9
1021S26Very low31.2Very low89 Ų89143.4 Ų143.462%0.62276%0.762SS**  trans-105.5178.2-174.5-440000113.2
1022P45.1Very low31.6Very low123 Ų123140.1 Ų140.180%0.79975%0.753SS**  -118150.489.8-4.725.5000112.8
1023S32.2Very low31.6Very low95 Ų95142.4 Ų142.466%0.66476%0.76SS**  cis77.2135.936.4-53.30000112.6
1024I33.4Very low32.5Very low145 Ų145140.9 Ų140.974%0.74476%0.757SS**  cis-152.7128.923.9-123144.4000110.8
1025I28Very low32.8Very low138 Ų138137.4 Ų137.471%0.70875%0.75SS**  66.5109.198.8-55.9178.4000118.5
1026K32.7Very low32.7Very low196 Ų196136.3 Ų136.385%0.85275%0.753SS**  trans165.9152.9131.3-96.6179.4177.8176.70110.2
1027L28.9Very low32.4Very low149 Ų149133 Ų13378%0.7874%0.741SS**  cis-169.5153.4-44-120.2173.7000106.8
1028N27.5Very low32.2Very low144 Ų144133 Ų13377%0.7774%0.742SS**  trans-71.7156.3179.1-72.7-17.1000113.3
1029N30.1Very low32.6Very low149 Ų149132.8 Ų132.880%0.79774%0.741SS**  trans164.9150137-84.1-10.7000109.4
1030H31.5Very low33.4Very low158 Ų158131.8 Ų131.873%0.73174%0.744SS**  cis-152.8159.63.1-140.7-83.1000108.9
1031L38Very low33.4Very low156 Ų156130.1 Ų130.182%0.81774%0.74SS**  trans-88.9135.5154.1-123.273.7000107.4
1032P34.2Very low33.7Very low101 Ų101131.3 Ų131.366%0.65675%0.748SS**  -157.3165.39041.8-23.9000117.3
1033I27.7Very low33Very low158 Ų158131.2 Ų131.281%0.8175%0.746SS**  trans61.8140139.7-70.7170.7000120
1034P44.1Very low33.4Very low109 Ų109132.2 Ų132.271%0.70875%0.75SS**  trans-93.2175.6-174.142.5-41000113
1035P34.7Very low33.1Very low108 Ų108131.3 Ų131.370%0.70175%0.746SS**  -153.5167.989.342.1-24.9000116.9
1036L27.9Very low33.2Very low167 Ų167133.6 Ų133.687%0.87475%0.751SS**  trans57.3157.7150.9-67.6160000119.7
1037G26Very low32.9Very low55 Ų55128.8 Ų128.857%0.56774%0.742SS**  cis164.8133.7-3.700000109.5
1038I29.7Very low32.7Very low155 Ų155130.2 Ų130.280%0.79575%0.745SS**  75.6133.370.2-68.3161.5000112.4
1039P46.4Very low32.8Very low99 Ų99129.8 Ų129.864%0.64375%0.747SS**  cis-127.1-132.4-27.138.7-16000109.9V1041P1039-V1041 HydrophobicContact CB-CG2 4.18Å; P1039-V1041 HydrophobicContact CG-CG2 4.13Å
1040P45Very low32.8Very low119 Ų119127.2 Ų127.277%0.77374%0.741SS**  cis-99.9158.215.64.420.8000113.9
1041V31.7Very low32.7Very low119 Ų119124.6 Ų124.672%0.72174%0.741SS**  cis77.5124.745.8175.30000111.3P1039P1039-V1041 HydrophobicContact CB-CG2 4.18Å; P1039-V1041 HydrophobicContact CG-CG2 4.13Å
1042S33.2Very low32.4Very low114 Ų114124.4 Ų124.480%0.79774%0.74SS**  cis-143.6171.932.6-52.70000116.8
1043T30.4Very low32.4Very low122 Ų122124 Ų12475%0.74874%0.738SS**  trans-104.8168.4170.151.80000113.7
1044P40.7Very low32.6Very low116 Ų116122.4 Ų122.475%0.75374%0.736SS**  -136.2166.9102.523.4-1.9000112.5
1045L27.5Very low31.9Very low126 Ų126121.3 Ų121.366%0.6673%0.73SS**  65.6135.451.6-8860.2000113.1
1046F29.7Very low31.6Very low186 Ų186123.6 Ų123.682%0.81674%0.736SS**  cis-121.3-131.510.2-82.2-85.1000115.6
1047S25.7Very low31.7Very low95 Ų95120.8 Ų120.866%0.66473%0.73SS**  -167.9172.1-126.9-59.10000115.9
1048Q24.6Very low31.8Very low179 Ų179123.2 Ų123.284%0.83674%0.738SS**  trans76.7154.1172.7-56.8-173.523.100118.1
1049T30.9Very low31.8Very low134 Ų134121.6 Ų121.682%0.82274%0.741SS**  trans54.8159170.555.40000118
1050S28.6Very low31.4Very low96 Ų96122.9 Ų122.967%0.67175%0.749SS**  cis-163.5159-31.552.60000109.5
1051S30.8Very low30.8Very low103 Ų103125.7 Ų125.772%0.7275%0.754SS**  trans69.4155.8163.881.40000118.7
1052N30.6Very low30.9Very low151 Ų151124.3 Ų124.381%0.80775%0.75SS**  trans69144.2162.8-76.2-5000120.8
1053P34.3Very low30.8Very low93 Ų93126.5 Ų126.560%0.60475%0.752SS**  trans-146.1-155.3-13538.3-13.6000113.1
1054T32.4Very low30.9Very low125 Ų125129 Ų12977%0.76776%0.755SS**  trans65.2151148.249.20000118.5
1055S28.9Very low30.7Very low85 Ų85132.6 Ų132.659%0.59476%0.762SS**  cis-175.4-177.6-15.454.80000108.8
1056L28Very low31.3Very low157 Ų157132.5 Ų132.582%0.82277%0.766SS**  trans46.7125143.1-69162000118
1057S31.4Very low31.6Very low107 Ų107130.7 Ų130.775%0.74877%0.765SS**  cis-171.9163.936.144.10000113.7
1058S26.8Very low31.8Very low106 Ų106133.3 Ų133.374%0.74177%0.768SS**  trans-62.4136.916748.40000115
1059S30Very low32.2Very low122 Ų122131.8 Ų131.885%0.85377%0.765SS**  trans-169.2157.6140.6-86.80000112.8
1060P38.6Very low32.2Very low125 Ų125133.8 Ų133.881%0.81277%0.77SS**  trans-102.8178.9-171.540.2-35.9000115.4
1061M32.9Very low32.3Very low179 Ų179133.4 Ų133.488%0.88277%0.772SS**  trans-47.9141.9-174.9-58.6-173.2-6300116.7
1062S32.3Very low32.3Very low89 Ų89134.2 Ų134.262%0.62278%0.778SS**  trans-134.1164155.163.80000110.6
1063L31.6Very low32.2Very low160 Ų160131.7 Ų131.784%0.83878%0.778SS**  trans-153.5128.5-165.6-171.1173.6000108.4
1064Q33Very low31.9Very low176 Ų176131.8 Ų131.882%0.82279%0.786SS**  trans-150.3143.8-173.4-138162.64.400115.5
1065Q35.4Very low31.9Very low191 Ų191133.2 Ų133.289%0.89380%0.795SS**  trans-150.4177.2166.3-127.5-179.52500108.7
1066T41.9Very low32Very low123 Ų123133.5 Ų133.576%0.75580%0.803SS**  trans-131.5147.9-143.6-63.80000115.2
1067L35.5Very low32.1Very low149 Ų149131.9 Ų131.978%0.7880%0.804SS**  trans78.1156.6174.9-60.9142.7000118.9
1068M30.5Very low32.3Very low150 Ų150133.1 Ų133.174%0.73981%0.807SS**  cis-170.6142.3-39-179.3166.9-82.800111.4
1069L32.1Very low32.7Very low147 Ų147133.1 Ų133.177%0.7781%0.805SS**  trans22.1125.2161.1-66.2163.4000122.9
1070L30.1Very low32.5Very low176 Ų176134.5 Ų134.592%0.92180%0.802SS**  -165.4-174107.3-127.480.8000111.5
1071A32Very low32Very low87 Ų87137.5 Ų137.572%0.71980%0.802SS**  trans-113.6160-149.800000119.6
1072S29.5Very low31.8Very low120 Ų120134.5 Ų134.584%0.83979%0.794SS**  trans86.6132.9149.1-65.80000123.2
1073A28.2Very low31.6Very low99 Ų99134.3 Ų134.382%0.81879%0.793SS**  trans75.191.5152.300000121.9
1074A29.6Very low31.6Very low94 Ų94129.6 Ų129.678%0.77777%0.773SS**  trans50.2109134.600000121.9
1075T31.3Very low31.6Very low155 Ų155126.9 Ų126.995%0.95177%0.769SS**  -162.9160.6116.410.90000110.7
1076A31.6Very low31.2Very low92 Ų92124.8 Ų124.876%0.7676%0.763SS**  trans-95.7133.2-169.800000114
1077S30.5Very low30.7Very low122 Ų122122.5 Ų122.585%0.85376%0.756SS**  -175.6126.8124.5-77.50000113.7
1078V35.4Very low30.5Very low133 Ų133122.6 Ų122.681%0.80676%0.758SS**  trans-43.6139.6164.41680000111.9
1079P33.9Very low30.4Very low107 Ų107120.3 Ų120.370%0.69576%0.756SS**  -151.7145.571.639.6-18.7000121.7
1080L25.9Very low30.2Very low150 Ų150121.5 Ų121.579%0.78576%0.758SS**  trans61.3130137.5-68170.2000123.2
1081K27.8Very low30.4Very low189 Ų189122.3 Ų122.382%0.82276%0.757SS**  trans69.4144.6157-67.4-170.8176-176.10116.3
1082T30.2Very low30.2Very low116 Ų116124.8 Ų124.871%0.71276%0.756SS**  cis-154.5161.3-1.50.60000111.3
1083S28.6Very low30.1Very low85 Ų85126.2 Ų126.259%0.59476%0.755SS**  trans25.5147.5134.6-56.40000122.4
1084S30.1Very low30.3Very low60 Ų60126.6 Ų126.642%0.4275%0.747SS.*  cis176.5147.2-7.4490000112
1085T33Very low30.3Very low119 Ų119128.6 Ų128.673%0.7374%0.744SS**  trans60.4176.2143.659.80000117.9
1086L28.4Very low30.3Very low147 Ų147127.6 Ų127.677%0.7773%0.729SS**  cis-149.9169.81.4-16064.8000109.7
1087A29.8Very low30Very low75 Ų75132.9 Ų132.962%0.6273%0.729SS**  trans70.6155.3144.800000118.2
1088N31.1Very low29.9Very low152 Ų152132.9 Ų132.981%0.81372%0.719SS**  cis-166.6166.4-13.9-1042.3000106.3
1089S28.4Very low29.5Very low101 Ų101135.5 Ų135.571%0.70672%0.722SS**  cis-149.3178.7-9.7-159.10000108.3
1090E28.4Very low29.1Very low172 Ų172134.3 Ų134.380%0.80472%0.722SS**  trans-64.7152.2174.2-56.4162.213000113.5
1091H35.4Very low29.2Very low194 Ų194135.1 Ų135.190%0.89873%0.727SS**  trans-150.7147.8142.1-133.3-81.8000112
1092I26.8Very low29.1Very low139 Ų139131 Ų13171%0.71372%0.722SS**  trans-110.2137.5-172.9-63.3161.8000109.6
1093N28.4Very low28.9Very low150 Ų150130.3 Ų130.380%0.80272%0.722SS**  trans-174.3133.7137.8-107.5-10.7000117.3
1094V31.1Very low28.9Very low107 Ų107132.1 Ų132.165%0.64873%0.729SS**  trans75.5126.2133.9171.60000121.7
1095N30.9Very low28.7Very low135 Ų135133.3 Ų133.372%0.72274%0.743SS**  trans71151.9162.6-67.5-7.6000119.3
1096Q30.9Very low28.4Very low134 Ų134133.7 Ų133.763%0.62675%0.745SS**  cis178.7142.3-20-176.6168.725.900107.8
1097W25Very low28.5Very low204 Ų204133.8 Ų133.877%0.77375%0.745SS**  cis-160.5157.1-18.6-105-10.7000110.5
1098N28.5Very low28.7Very low121 Ų121136.4 Ų136.465%0.64775%0.754SS**  trans42.4153.8141.7-55.9-5.9000125.8
1099H27.6Very low28.5Very low188 Ų188133 Ų13387%0.8775%0.747SS**  trans82.5166.3146.4-91.9-66.7000121.2
1100A24.7Very low28.8Very low83 Ų83134 Ų13469%0.68675%0.75SS**  trans-112-165.5-175.500000110.4
1101D28.4Very low28.7Very low167 Ų167130.2 Ų130.289%0.89375%0.749SS**  trans79.7152.7176.5-68.4-36.5000119
1102S24.8Very low28.5Very low102 Ų102127.2 Ų127.271%0.71374%0.744SS**  trans-64.6171.3178.6171.10000113.2
1103S27.7Very low28.8Very low102 Ų102127.2 Ų127.271%0.71374%0.744SS**  trans91.9156.9153.7-360000116.1
1104T27.2Very low28.8Very low122 Ų122126.9 Ų126.975%0.74874%0.742SS**  cis-171138.5-25.8-92.50000108.9
1105A26.3Very low28.8Very low86 Ų86127.3 Ų127.371%0.71175%0.745SS**  trans58.2178.1165.300000115.3
1106T27.7Very low28.7Very low126 Ų126127.4 Ų127.477%0.77375%0.746SS**  cis-140.61580.6-280000104.9
1107I28.8Very low28.7Very low149 Ų149127.5 Ų127.576%0.76476%0.756SS**SBendcis-155.6145.638.5-54170.6000104.8
1108T35Very low29.1Very low131 Ų131123.2 Ų123.280%0.80475%0.752SS**  cis-145.9154.532.4-20.70000112.2
1109A26.4Very low29.2Very low81 Ų81123.5 Ų123.567%0.66976%0.759SS**  trans-95-161.1153.400000108.7
1110P34.8Very low29.4Very low120 Ų120120 Ų12078%0.77975%0.751SS**  cis-114.5148.1-23.48.317.1000111.4
1111A26.4Very low29.7Very low93 Ų93121.9 Ų121.977%0.76975%0.754SS**  97.1109.765.600000114.6
1112T32Very low30Very low132 Ų132120.5 Ų120.581%0.8175%0.751SS**  trans-142.3103.4167.4-48.10000105.8
1113I31.8Very low30.3Very low138 Ų138122 Ų12271%0.70876%0.759SS**  63.2101.988-58.3170.6000113.5
1114N27.9Very low30.2Very low143 Ų143124.3 Ų124.377%0.76576%0.762SS**  trans64.9148.9151.8-64-6.4000122.6
1115T31.6Very low30.2Very low116 Ų116125.1 Ų125.171%0.71276%0.761SS**  trans67.7113.7154.642.60000121.2
1116N29.6Very low30.2Very low138 Ų138126 Ų12674%0.73876%0.758SS**  trans72.5128.5134.6-55.7-8.2000120.8
1117T31.2Very low30.2Very low136 Ų136127.2 Ų127.283%0.83476%0.76SS**  trans64.6146.2162.255.50000116
1118T31.8Very low30Very low113 Ų113124.9 Ų124.969%0.69376%0.756SS**  cis-154.1167.713.8-230000110.5
1119T31.2Very low29.6Very low127 Ų127122.6 Ų122.678%0.77974%0.74SS**  trans63.2151.8158.651.90000118.1
1120T31.9Very low29.8Very low116 Ų116121.4 Ų121.471%0.71272%0.724SS**  cis-171.7144.1-11.4-96.20000108.8
1121T31.4Very low29.6Very low122 Ų122119.8 Ų119.875%0.74871%0.711SS**  cis-152.9147-31.439.10000108.4
1122V34Very low29.6Very low137 Ų137119.3 Ų119.383%0.8369%0.693SS**  trans-142.8138.9164.8178.10000105.7
1123P31.2Very low29.5Very low134 Ų134119.3 Ų119.387%0.8768%0.684SS**  trans-76.4159.6-153.828.6-36.4000115.8
1124L26.5Very low29.3Very low151 Ų151120 Ų12079%0.79168%0.683SS**  trans-132.9138.8-165.2-173.371.1000111.6
1125L27.1Very low29.3Very low138 Ų138120.2 Ų120.272%0.72369%0.685SS**  trans43.6122155.1-67.4171.4000122.2
1126T26.5Very low29.6Very low106 Ų106118.6 Ų118.665%0.6568%0.676SS**  23.9131.7128.762.40000122.2
1127N26.5Very low29.6Very low150 Ų150121.3 Ų121.380%0.80268%0.678SS**  trans83.4141139.9-64.73000121.9
1128S25.5Very low29.5Very low100 Ų100122.6 Ų122.670%0.69967%0.674SS**  trans69.3102.6150.9-65.60000121.2
1129D26.5Very low29.5Very low84 Ų84122.4 Ų122.445%0.44967%0.673SS.*  61.1100118.7-65.6-50.1000122.2Q1497 Q1498D1129-Q1497 PolarHBondContact OD1-NE2 3.33Å; D1129-Q1498 PolarHBondContact OD2-NE2 3.47Å
1130T31.2Very low29.5Very low56 Ų56121.7 Ų121.734%0.34467%0.668SS.*  75.9155121.5-14.70000124.9Q1497T1130-Q1497 HydrophobicContact CG2-CB 4.12Å; T1130-Q1497 VanDerWaalsContact CG2-CD 3.46Å; T1130-Q1497 HydrophobicContact CG2-CG 3.64Å; T1130-Q1497 WeakPolarHBondContact CG2-O 3.36Å; T1130-Q1497 VanDerWaalsContact CG2-OE1 3.3Å; T1130-Q1497 VanDerWaalsContact OG1-CG 3.27Å; T1130-Q1497 WeakPolarHBondContact OG1-CG 3.27Å; T1130-Q1497 PolarHBondContact OG1-NE2 2.91Å; T1130-Q1497 VanDerWaalsContact OG1-NE2 3.09Å
1131V29.2Very low29.5Very low85 Ų85122.4 Ų122.452%0.51567%0.668SS.*  trans98.1111.2154.3176.30000118.7Q1496V1131-Q1496 HydrophobicContact CG2-CG 4.35Å
1132H27Very low29.5Very low83 Ų83122.6 Ų122.638%0.38466%0.664SS.*  trans41.8160.4153.3-80-26.2000121.6H1495 Q1496H1132-H1495 VanDerWaalsContact CE1-CB 3.49Å; H1132-H1495 WeakPolarHBondContact CE1-CB 3.36Å; H1132-H1495 AromaticContact CE1-CD2 3.5Å; H1132-H1495 AromaticContact CE1-CG 3.45Å; H1132-H1495 VanDerWaalsContact CE1-CG 3.45Å; H1132-H1495 AromaticContact CE1-ND1 3.96Å; H1132-H1495 PolarHBondContact N-CE1 2.95Å; H1132-H1495 AromaticContact ND1-CD2 3.14Å; H1132-H1495 PolarHBondContact ND1-CD2 2.84Å; H1132-H1495 AromaticContact ND1-CE1 3.41Å; H1132-H1495 PolarHBondContact ND1-CE1 2.86Å; H1132-H1495 AromaticContact ND1-CG 3.3Å; H1132-H1495 VanDerWaalsContact ND1-CG 3.3Å; H1132-H1495 AromaticContact ND1-ND1 3.46Å; H1132-H1495 PolarHBondContact ND1-ND1 3.18Å; H1132-H1495 AromaticContact ND1-NE2 3.16Å; H1132-H1495 PolarHBondContact ND1-NE2 3.42Å; H1132-H1495 VanDerWaalsContact ND1-NE2 3.16Å; H1132-Q1496 VanDerWaalsContact CD2-CD 3.45Å; H1132-Q1496 PolarHBondContact CD2-NE2 3.45Å; H1132-Q1496 PolarHBondContact CD2-OE1 2.94Å; H1132-Q1496 PolarHBondContact CE1-NE2 2.84Å; H1132-Q1496 PolarHBondContact ND1-NE2 3.47Å; H1132-Q1496 PolarHBondContact NE2-NE2 3.43Å
1133H29.3Very low29.4Very low133 Ų133121.8 Ų121.862%0.61666%0.656SS**  cis-150.5-166.34.8-128.7-15.7000112
1134H28.8Very low29.4Very low151 Ų151122.7 Ų122.770%0.69965%0.652SS**  trans-65.1147.9-169.1-59.5-85.8000118.8
1135N26.9Very low29.6Very low149 Ų149120.6 Ų120.680%0.79765%0.65SS**  13.5168.4113.6-111.119.1000120.2
1136P38.6Very low29.6Very low81 Ų81121.6 Ų121.653%0.52666%0.656SS.*  cis-143.6-168.74.123.45.4000116.5
1137Y29.5Very low29.7Very low196 Ų196121.5 Ų121.577%0.76966%0.66SS**  trans72.1147.4158.7-60-58.7000119.5
1138E28.4Very low29.8Very low163 Ų163119.4 Ų119.476%0.76266%0.657SS**  cis-174.1174.2-33.4-133161.6-122.800106.4
1139T31.4Very low29.9Very low108 Ų108126 Ų12666%0.66367%0.668SS**  cis-138.6-169.88.964.10000108.9
1140T32.7Very low29.9Very low112 Ų112129 Ų12969%0.68768%0.682SS**  cis-151.2-152.7-10.1-2.70000106.4
1141D30.7Very low29.8Very low131 Ų131132.1 Ų132.170%0.70170%0.697SS**  cis-158.5-179.20.7-131.1-48.5000113.3
1142D32.5Very low29.6Very low126 Ų126133.9 Ų133.967%0.67471%0.713SS**  trans5182.5153.7-93.2-32.1000121.9
1143N30.8Very low29.6Very low121 Ų121136.2 Ų136.265%0.64773%0.734SS**  77.3110.4114.9-79.8-38.1000124.6
1144L31.8Very low29.5Very low153 Ų153136.1 Ų136.180%0.80174%0.735SS**  73.9138.5120.2-69.5172.2000121.1
1145S31.6Very low29.5Very low106 Ų106137.9 Ų137.974%0.74174%0.741SS**  cis-145.6152.9-0.1-57.90000112
1146D25.7Very low29.7Very low160 Ų160133.1 Ų133.186%0.85672%0.719SS**  trans-105.6143.9157.8-174.59.7000109.8
1147S28.9Very low29.5Very low104 Ų104136 Ų13673%0.72772%0.724SS**  trans164.6125.4156.6178.60000112.8
1148S28.8Very low30.1Very low105 Ų105132.5 Ų132.573%0.73472%0.715SS**  -17577.1120.337.30000112.2I1150S1148-I1150 PolarHBondContact O-N 3.22Å
1149Y26.8Very low31.6Very low239 Ų239129.5 Ų129.594%0.93770%0.696SS**  trans-75.958.1-177-133.8-85000113.5
1150I26.9Very low33.2Very low146 Ų146125.8 Ų125.875%0.74967%0.673SS**  trans-13599.9-178.8-50.4179.4000112.4S1148S1148-I1150 PolarHBondContact O-N 3.22Å
1151N28.6Very low35Very low122 Ų122122.5 Ų122.565%0.65265%0.653SS**  trans-161.329.7154.3-114.6-52.4000116.5T1153N1151-T1153 PolarHBondContact O-N 2.9Å
1152S25.6Very low37.3Very low122 Ų122116.5 Ų116.585%0.85362%0.621SS**THydrogen-bonded Turntrans-75.328.3-173.8-54.50000116.1
1153T27.9Very low39.3Very low133 Ų133114.7 Ų114.782%0.81662%0.616SS**THydrogen-bonded Turntrans-142.931-177.553.40000115.8N1151N1151-T1153 PolarHBondContact O-N 2.9Å
1154M26.6Very low41.5Very low131 Ų131113.2 Ų113.265%0.64561%0.613SS**  trans-129.4-10.9176.1-109.4-66.3170.200117.5S1156M1154-S1156 PolarHBondContact O-N 3.49Å
1155F29.3Very low43.9Very low187 Ų187107.4 Ų107.482%0.8258%0.583SS**  trans-86.490.7-178.9-75.8-81.7000113.4Q1158F1155-Q1158 HydrophobicContact CD1-CB 4.19Å
1156S30.7Very low46.4Very low49 Ų49108 Ų10834%0.34357%0.572SS.*SBendtrans-132.1-1.1168.371.50000116.1M1154 Q1683M1154-S1156 PolarHBondContact O-N 3.49Å; S1156-Q1683 PolarHBondContact OG-NE2 3.42Å; S1156-Q1683 VanDerWaalsContact OG-NE2 3.16Å; S1156-Q1683 PolarHBondContact OG-OE1 2.99Å
1157F34.3Very low48.7Very low141 Ų141105.2 Ų105.262%0.61855%0.554SS**SBendtrans-108.4-21.5173.8-78.8-42.8000115.5R1159 Q1683F1157-R1159 PolarHBondContact O-N 2.85Å; F1157-Q1683 HydrophobicContact CD2-CG 4.2Å; F1157-Q1683 HydrophobicContact CE1-CG 4.37Å; F1157-Q1683 HydrophobicContact CE2-CG 3.37Å; F1157-Q1683 VanDerWaalsContact CE2-NE2 3.29Å; F1157-Q1683 HydrophobicContact CZ-CG 3.48Å; F1157-Q1683 VanDerWaalsContact CZ-CG 3.48Å
1158Q42.7Very low51Low124 Ų124106 Ų10658%0.57955%0.546SS*.  trans-81.467179.4-151.469.8300111.5F1155 V1160F1155-Q1158 HydrophobicContact CD1-CB 4.19Å; Q1158-V1160 VanDerWaalsContact C-N 3.32Å
1159R58.7Low53.4Low100 Ų100102.3 Ų102.338%0.37752%0.518SS..  trans-85.4-0.8174.6-72.1-169.3177.9-149.3-4114F1157 V1161 Y1202 Q1255F1157-R1159 PolarHBondContact O-N 2.85Å; R1159-V1161 PolarHBondContact O-N 3.41Å; R1159-Y1202 WeakPolarHBondContact O-CA 3.35Å; R1159-Y1202 WeakPolarHBondContact O-CD1 3.33Å; R1159-Q1255 VanDerWaalsContact NH1-NE2 3.16Å
1160V65.5Low56.1Low30 Ų3092.9 Ų92.918%0.18248%0.483CS..  trans-80.3120-175.2-171.90000109.6Q1158 L1162 Y1202 I1203Q1158-V1160 VanDerWaalsContact C-N 3.32Å; V1160-L1162 VanDerWaalsContact C-N 3.32Å; V1160-L1162 HydrophobicContact CG1-CB 4.12Å; V1160-Y1202 CarbonylContact C-O 3.59Å; V1160-Y1202 WeakPolarHBondContact CA-O 3.38Å; V1160-I1203 WeakPolarHBondContact CG1-O 3.43Å
1161V70.7Confident58.5Low43 Ų4390.1 Ų90.126%0.26147%0.47SS..SBendtrans-71.6-27.4-179.4178.50000111.5R1159 Y1202 I1203 K1247R1159-V1161 PolarHBondContact O-N 3.41Å; V1161-Y1202 HydrophobicContact CG2-CD1 3.84Å; V1161-Y1202 HydrophobicContact CG2-CG 4.42Å; V1161-Y1202 PolarHBondContact N-O 2.91Å; V1161-I1203 HydrophobicContact CB-CD1 4.28Å; V1161-K1247 HydrophobicContact CG1-CB 3.88Å
1162L79.5Confident61Low5 Ų591.3 Ų91.33%0.02647%0.469CS..SBendtrans-75139.9167.7-63.9-178.5000110.3V1160 I1203 R1234 L1237 H1244V1160-L1162 VanDerWaalsContact C-N 3.32Å; V1160-L1162 HydrophobicContact CG1-CB 4.12Å; L1162-I1203 HydrophobicContact CD1-CG2 3.7Å; L1162-I1203 HydrophobicContact CG-CD1 4.4Å; L1162-I1203 HydrophobicContact CG-CG2 4.23Å; L1162-R1234 HydrophobicContact CD1-CB 3.84Å; L1162-R1234 HydrophobicContact CD1-CG 4.26Å; L1162-R1234 VanDerWaalsContact CD1-O 3.25Å; L1162-R1234 WeakPolarHBondContact CD1-O 3.41Å; L1162-L1237 HydrophobicContact CD1-CB 4.34Å; L1162-H1244 WeakPolarHBondContact CD2-CE1 3.01Å; L1162-H1244 WeakPolarHBondContact CD2-ND1 3.27Å
1163P72.9Confident63.6Low87 Ų8786.8 Ų86.857%0.56543%0.434SS*.PPolyproline II helixtrans-58.8167.2171.826.2-34.4000112L1165 R1234P1163-L1165 PolarHBondContact O-N 3.49Å; P1163-R1234 PolarHBondContact O-NH1 2.83Å
1164P77.8Confident65.9Low91 Ų9184.2 Ų84.259%0.59142%0.421SS*.PPolyproline II helixtrans-53.6130.9165.5-21.433.6000109.6K1166P1164-K1166 PolarHBondContact O-N 2.9Å
1165L82.9Confident68.5Low31 Ų3183.8 Ų83.816%0.16242%0.417CS..PPolyproline II helixtrans-61.9127.9175-79.3173.4000109.1P1163 D1169 E1230 I1233 R1234 L1237P1163-L1165 PolarHBondContact O-N 3.49Å; L1165-D1169 HydrophobicContact CD2-CB 3.75Å; L1165-E1230 HydrophobicContact CD1-CG 3.51Å; L1165-I1233 HydrophobicContact CD1-CB 4.09Å; L1165-I1233 HydrophobicContact CD1-CG2 3.98Å; L1165-I1233 HydrophobicContact CD2-CG2 3.68Å; L1165-R1234 HydrophobicContact CD1-CG 3.8Å; L1165-R1234 HydrophobicContact CG-CG 4.16Å; L1165-L1237 HydrophobicContact CD2-CD1 3.42Å; L1165-L1237 VanDerWaalsContact CD2-CD1 3.42Å
1166K82.6Confident71.4Confident119 Ų11976 Ų7652%0.51739%0.385SS..PPolyproline II helixtrans-81.2163.4171.2-63.3175.7177.8-174.70109.8P1164 E1168 D1169 I1170P1164-K1166 PolarHBondContact O-N 2.9Å; K1166-E1168 VanDerWaalsContact C-N 3.25Å; K1166-E1168 HydrophobicContact CB-CG 3.69Å; K1166-E1168 HydrophobicContact CD-CG 3.7Å; K1166-E1168 WeakPolarHBondContact CD-OE1 3.31Å; K1166-E1168 WeakPolarHBondContact CE-OE1 3.48Å; K1166-E1168 HydrophobicContact CG-CG 4.44Å; K1166-E1168 IonicContact NZ-OE1 2.71Å; K1166-E1168 PolarHBondContact NZ-OE1 3.33Å; K1166-E1168 IonicContact NZ-OE2 2.74Å; K1166-E1168 PolarHBondContact O-N 2.9Å; K1166-D1169 PolarHBondContact N-OD2 3.07Å; K1166-D1169 VanDerWaalsContact N-OD2 3.15Å; K1166-D1169 PolarHBondContact O-N 3.34Å; K1166-D1169 VanDerWaalsContact O-N 3.16Å; K1166-I1170 PolarHBondContact O-N 3.16Å
1167Q74.4Confident74.3Confident101 Ų10177.1 Ų77.147%0.47239%0.391SS..Hα-helixtrans-60.4-37.7172.5-17254.942.300111.5D1169 I1170 D1171Q1167-D1169 VanDerWaalsContact C-N 3.28Å; Q1167-D1169 PolarHBondContact O-N 2.93Å; Q1167-I1170 PolarHBondContact O-N 3.4Å; Q1167-D1171 WeakPolarHBondContact CG-OD2 3.27Å; Q1167-D1171 PolarHBondContact NE2-OD1 3.02Å; Q1167-D1171 PolarHBondContact NE2-OD2 3.43Å; Q1167-D1171 PolarHBondContact O-N 2.9Å
1168E77.8Confident77.2Confident120 Ų12070.9 Ų70.956%0.56137%0.365SS*.Hα-helixtrans-57.9-33.6174.467.8-171.1-152.100113.6K1166 K1172K1166-E1168 VanDerWaalsContact C-N 3.25Å; K1166-E1168 HydrophobicContact CB-CG 3.69Å; K1166-E1168 HydrophobicContact CD-CG 3.7Å; K1166-E1168 WeakPolarHBondContact CD-OE1 3.31Å; K1166-E1168 WeakPolarHBondContact CE-OE1 3.48Å; K1166-E1168 HydrophobicContact CG-CG 4.44Å; K1166-E1168 IonicContact NZ-OE1 2.71Å; K1166-E1168 PolarHBondContact NZ-OE1 3.33Å; K1166-E1168 IonicContact NZ-OE2 2.74Å; K1166-E1168 PolarHBondContact O-N 2.9Å; E1168-K1172 WeakPolarHBondContact O-CB 3.37Å; E1168-K1172 PolarHBondContact O-N 3.01Å
1169D79.8Confident79.7Confident28 Ų2869.6 Ų69.615%0.1536%0.359CS..Hα-helixtrans-69.8-40.3174-67.2-63.7000111.4L1165 K1166 Q1167 D1171 Y1173 I1233L1165-D1169 HydrophobicContact CD2-CB 3.75Å; K1166-D1169 PolarHBondContact N-OD2 3.07Å; K1166-D1169 VanDerWaalsContact N-OD2 3.15Å; K1166-D1169 PolarHBondContact O-N 3.34Å; K1166-D1169 VanDerWaalsContact O-N 3.16Å; Q1167-D1169 VanDerWaalsContact C-N 3.28Å; Q1167-D1169 PolarHBondContact O-N 2.93Å; D1169-D1171 VanDerWaalsContact C-N 3.33Å; D1169-D1171 PolarHBondContact O-N 3.43Å; D1169-Y1173 WeakPolarHBondContact O-CD2 3.1Å; D1169-Y1173 PolarHBondContact O-N 2.77Å; D1169-Y1173 VanDerWaalsContact O-N 3.16Å; D1169-I1233 HydrophobicContact CB-CG2 4.42Å
1170I82.1Confident81.4Confident40 Ų4069 Ų6921%0.20536%0.36CS..Hα-helixtrans-65.9-39.5-178.1-61.9171.5000110.6K1166 Q1167 Y1173 I1233K1166-I1170 PolarHBondContact O-N 3.16Å; Q1167-I1170 PolarHBondContact O-N 3.4Å; I1170-Y1173 CarbonylContact O-C 3.57Å; I1170-I1233 HydrophobicContact CB-CD1 4.45Å; I1170-I1233 HydrophobicContact CG1-CD1 4.21Å; I1170-I1233 HydrophobicContact CG2-CD1 4.37Å
1171D78.6Confident82.8Confident89 Ų8967.8 Ų67.848%0.47635%0.353SS..Hα-helixtrans-82.3-35.1-178.2-59.8-30.3000112.2Q1167 D1169 Y1173 S1174Q1167-D1171 WeakPolarHBondContact CG-OD2 3.27Å; Q1167-D1171 PolarHBondContact NE2-OD1 3.02Å; Q1167-D1171 PolarHBondContact NE2-OD2 3.43Å; Q1167-D1171 PolarHBondContact O-N 2.9Å; D1169-D1171 VanDerWaalsContact C-N 3.33Å; D1169-D1171 PolarHBondContact O-N 3.43Å; D1171-Y1173 VanDerWaalsContact C-N 3.27Å; D1171-Y1173 PolarHBondContact O-N 3.04Å; D1171-S1174 WeakPolarHBondContact O-CB 3.41Å; D1171-S1174 PolarHBondContact O-N 3.04Å; D1171-S1174 PolarHBondContact O-OG 3.05Å
1172K80.3Confident84.1Confident147 Ų14765.8 Ų65.864%0.63934%0.34SS*.Hα-helixtrans-60-35.4171.8175.4174.5179.8171.70112.9E1168E1168-K1172 WeakPolarHBondContact O-CB 3.37Å; E1168-K1172 PolarHBondContact O-N 3.01Å
1173Y80.2Confident84.9Confident27 Ų2770.9 Ų70.911%0.10636%0.364CS..THydrogen-bonded Turntrans-105.343.2176.6-58-63.7000111.5D1169 I1170 D1171 E1175 L1176 W1221 I1233 Q1236 L1237 N1240D1169-Y1173 WeakPolarHBondContact O-CD2 3.1Å; D1169-Y1173 PolarHBondContact O-N 2.77Å; D1169-Y1173 VanDerWaalsContact O-N 3.16Å; I1170-Y1173 CarbonylContact O-C 3.57Å; D1171-Y1173 VanDerWaalsContact C-N 3.27Å; D1171-Y1173 PolarHBondContact O-N 3.04Å; Y1173-E1175 VanDerWaalsContact C-N 3.27Å; Y1173-E1175 PolarHBondContact O-N 2.87Å; Y1173-L1176 HydrophobicContact CD1-CD2 4.03Å; Y1173-L1176 HydrophobicContact CG-CD2 4.42Å; Y1173-W1221 VanDerWaalsContact O-CH2 3.29Å; Y1173-W1221 WeakPolarHBondContact O-CH2 3.42Å; Y1173-W1221 WeakPolarHBondContact O-CZ2 3.24Å; Y1173-I1233 HydrophobicContact CD2-CG2 3.81Å; Y1173-Q1236 HydrophobicContact CD1-CG 4.14Å; Y1173-Q1236 HydrophobicContact CE1-CG 3.91Å; Y1173-L1237 HydrophobicContact CE2-CD2 3.77Å; Y1173-L1237 HydrophobicContact CE2-CG 4.24Å; Y1173-N1240 PolarHBondContact OH-ND2 3.2Å
1174S75.8Confident86Confident78 Ų7872.5 Ų72.555%0.54536%0.359SS..SBendtrans-62.9-23.2-175.841.60000115.1D1171 W1221D1171-S1174 WeakPolarHBondContact O-CB 3.41Å; D1171-S1174 PolarHBondContact O-N 3.04Å; D1171-S1174 PolarHBondContact O-OG 3.05Å; S1174-W1221 PolarHBondContact O-NE1 2.95Å
1175E82.8Confident86.9Confident122 Ų12268.1 Ų68.157%0.5733%0.331SS*.SBendtrans-137.2130.3166.8-163.5162.3-133.600111.5Y1173 K1222Y1173-E1175 VanDerWaalsContact C-N 3.27Å; Y1173-E1175 PolarHBondContact O-N 2.87Å; E1175-K1222 WeakPolarHBondContact OE1-CE 3.43Å; E1175-K1222 IonicContact OE1-NZ 2.73Å; E1175-K1222 PolarHBondContact OE1-NZ 3.21Å
1176L88.4Confident87.5Confident25 Ų2570.7 Ų70.713%0.13134%0.338CS..  trans-140.3141.3-174.5-76.1-176.1000112.4Y1173 T1178 I1181 W1221 I1233 Q1236Y1173-L1176 HydrophobicContact CD1-CD2 4.03Å; Y1173-L1176 HydrophobicContact CG-CD2 4.42Å; L1176-T1178 PolarHBondContact O-N 3.05Å; L1176-I1181 HydrophobicContact CB-CD1 3.73Å; L1176-I1181 HydrophobicContact CD1-CD1 3.8Å; L1176-I1181 HydrophobicContact CD2-CD1 3.98Å; L1176-I1181 HydrophobicContact CG-CD1 4.06Å; L1176-W1221 HydrophobicContact CB-CD2 4.2Å; L1176-W1221 HydrophobicContact CB-CE3 3.83Å; L1176-W1221 HydrophobicContact CB-CH2 4.21Å; L1176-W1221 HydrophobicContact CB-CZ3 3.85Å; L1176-W1221 HydrophobicContact CD1-CH2 3.85Å; L1176-W1221 HydrophobicContact CD1-CZ3 3.76Å; L1176-W1221 HydrophobicContact CG-CH2 4.09Å; L1176-W1221 HydrophobicContact CG-CZ3 4.13Å; L1176-W1221 WeakPolarHBondContact O-CB 3.44Å; L1176-I1233 HydrophobicContact CD1-CG1 4.3Å; L1176-Q1236 HydrophobicContact CD1-CB 4.33Å; L1176-Q1236 HydrophobicContact CD2-CG 4.38Å
1177C92.6Very high88Confident71 Ų7168.2 Ų68.248%0.4834%0.336SS..  trans-77.789.1173.2-171.90000111.6E1179 E1180 I1181C1177-E1179 VanDerWaalsContact C-N 3.3Å; C1177-E1179 PolarHBondContact O-N 3.18Å; C1177-E1180 HydrophobicContact CB-CB 3.98Å; C1177-E1180 PolarHBondContact O-N 3.46Å; C1177-E1180 VanDerWaalsContact O-N 3.17Å; C1177-E1180 VanDerWaalsContact SG-CB 3.58Å; C1177-I1181 VanDerWaalsContact O-CG1 3.27Å; C1177-I1181 WeakPolarHBondContact O-CG1 3.35Å; C1177-I1181 PolarHBondContact O-N 3.29Å
1178T95.1Very high88.8Confident10 Ų1065 Ų656%0.06132%0.321CS..Hα-helixtrans-56.7-35.7-174.348.10000114.6L1176 A1182 K1219 W1221 L1224 F1232L1176-T1178 PolarHBondContact O-N 3.05Å; T1178-A1182 WeakPolarHBondContact O-CB 3.31Å; T1178-A1182 PolarHBondContact O-N 3.24Å; T1178-K1219 WeakPolarHBondContact CB-O 3.48Å; T1178-K1219 WeakPolarHBondContact CG2-O 3.49Å; T1178-K1219 PolarHBondContact OG1-O 3.16Å; T1178-W1221 HydrophobicContact CG2-CB 3.99Å; T1178-W1221 HydrophobicContact CG2-CE3 3.88Å; T1178-L1224 HydrophobicContact CG2-CD1 3.73Å; T1178-F1232 HydrophobicContact CG2-CD1 3.86Å; T1178-F1232 HydrophobicContact CG2-CD2 4.16Å; T1178-F1232 HydrophobicContact CG2-CE1 3.94Å; T1178-F1232 HydrophobicContact CG2-CE2 4.21Å; T1178-F1232 HydrophobicContact CG2-CG 3.99Å; T1178-F1232 HydrophobicContact CG2-CZ 4.11Å; T1178-F1232 WeakPolarHBondContact O-CE1 3.43Å
1179E94.8Very high89.6Confident98 Ų9859.7 Ų59.746%0.45830%0.297SS..Hα-helixtrans-70.2-45.7177-17166.2-114.700111.5C1177 I1181 A1182 H1183 R1186 P1218C1177-E1179 VanDerWaalsContact C-N 3.3Å; C1177-E1179 PolarHBondContact O-N 3.18Å; E1179-I1181 PolarHBondContact O-N 3.18Å; E1179-A1182 PolarHBondContact O-N 3.41Å; E1179-H1183 WeakPolarHBondContact O-CB 3.42Å; E1179-H1183 PolarHBondContact O-N 3.49Å; E1179-R1186 IonicContact OE1-NH2 2.71Å; E1179-R1186 PolarHBondContact OE1-NH2 2.88Å; E1179-P1218 HydrophobicContact CB-CG 4.35Å; E1179-P1218 VanDerWaalsContact CD-CG 3.47Å; E1179-P1218 WeakPolarHBondContact OE1-CG 3.26Å; E1179-P1218 VanDerWaalsContact OE2-CG 3.22Å; E1179-P1218 WeakPolarHBondContact OE2-CG 3.27Å
1180E94.9Very high90.1Very high88 Ų8861.1 Ų61.141%0.41131%0.309SS..Hα-helixtrans-63.1-43.6179.5-175.2-179.2-165.900111.8C1177 A1182 H1183 R1184C1177-E1180 HydrophobicContact CB-CB 3.98Å; C1177-E1180 PolarHBondContact O-N 3.46Å; C1177-E1180 VanDerWaalsContact O-N 3.17Å; C1177-E1180 VanDerWaalsContact SG-CB 3.58Å; E1180-A1182 VanDerWaalsContact C-N 3.32Å; E1180-A1182 PolarHBondContact O-N 3.1Å; E1180-H1183 PolarHBondContact O-N 3.33Å; E1180-H1183 VanDerWaalsContact O-N 3.14Å; E1180-R1184 HydrophobicContact CG-CG 4.2Å; E1180-R1184 WeakPolarHBondContact O-CB 3.33Å; E1180-R1184 WeakPolarHBondContact O-CG 3.33Å; E1180-R1184 PolarHBondContact O-N 3.18Å; E1180-R1184 IonicContact OE1-CZ 3.97Å; E1180-R1184 IonicContact OE1-NE 3.23Å; E1180-R1184 PolarHBondContact OE1-NE 3.36Å; E1180-R1184 IonicContact OE1-NH2 3.14Å; E1180-R1184 PolarHBondContact OE1-NH2 3.46Å; E1180-R1184 IonicContact OE2-NH2 2.94Å
1181I95.9Very high90.4Very high4 Ų464.3 Ų64.32%0.02132%0.323CS..Hα-helixtrans-64.6-40179.4-59.6171.1000110.2L1176 C1177 E1179 T1185 M1235 Q1236 L1239L1176-I1181 HydrophobicContact CB-CD1 3.73Å; L1176-I1181 HydrophobicContact CD1-CD1 3.8Å; L1176-I1181 HydrophobicContact CD2-CD1 3.98Å; L1176-I1181 HydrophobicContact CG-CD1 4.06Å; C1177-I1181 VanDerWaalsContact O-CG1 3.27Å; C1177-I1181 WeakPolarHBondContact O-CG1 3.35Å; C1177-I1181 PolarHBondContact O-N 3.29Å; E1179-I1181 PolarHBondContact O-N 3.18Å; I1181-T1185 VanDerWaalsContact O-CB 3.26Å; I1181-T1185 WeakPolarHBondContact O-CB 3.5Å; I1181-T1185 PolarHBondContact O-N 3.21Å; I1181-T1185 PolarHBondContact O-OG1 2.71Å; I1181-M1235 HydrophobicContact CB-CE 4.33Å; I1181-M1235 HydrophobicContact CG2-CB 3.98Å; I1181-M1235 HydrophobicContact CG2-CE 3.69Å; I1181-M1235 HydrophobicContact CG2-CG 3.73Å; I1181-M1235 HydrophobicContact CG2-SD 4.41Å; I1181-Q1236 VanDerWaalsContact CG1-OE1 3.24Å; I1181-L1239 HydrophobicContact CB-CD1 4.46Å; I1181-L1239 HydrophobicContact CG2-CD1 3.86Å
1182A97.1Very high90.8Very high0 Ų065 Ų650%032%0.32CS..Hα-helixtrans-64.7-38.7173.200000112.1T1178 E1179 E1180 R1186 L1215 P1218 M1235T1178-A1182 WeakPolarHBondContact O-CB 3.31Å; T1178-A1182 PolarHBondContact O-N 3.24Å; E1179-A1182 PolarHBondContact O-N 3.41Å; E1180-A1182 VanDerWaalsContact C-N 3.32Å; E1180-A1182 PolarHBondContact O-N 3.1Å; A1182-R1186 WeakPolarHBondContact O-CB 3.39Å; A1182-R1186 WeakPolarHBondContact O-CG 3.48Å; A1182-R1186 PolarHBondContact O-N 2.83Å; A1182-L1215 HydrophobicContact CB-CD2 4.06Å; A1182-P1218 HydrophobicContact CB-CB 4.04Å; A1182-P1218 HydrophobicContact CB-CG 3.94Å; A1182-M1235 HydrophobicContact CB-CE 4.3Å
1183H96.3Very high91.2Very high113 Ų11361.2 Ų61.252%0.52331%0.312SS..Hα-helixtrans-68-52177.2-171-96.3000112.6E1179 E1180 T1185 R1186 S1187E1179-H1183 WeakPolarHBondContact O-CB 3.42Å; E1179-H1183 PolarHBondContact O-N 3.49Å; E1180-H1183 PolarHBondContact O-N 3.33Å; E1180-H1183 VanDerWaalsContact O-N 3.14Å; H1183-T1185 PolarHBondContact O-N 3.07Å; H1183-R1186 WeakPolarHBondContact O-CB 3.11Å; H1183-R1186 PolarHBondContact O-N 2.93Å; H1183-S1187 PolarHBondContact O-N 2.78Å
1184R95.8Very high91.6Very high120 Ų12060.4 Ų60.445%0.45331%0.309SS..Hα-helixtrans-54.1-42.3174.6-70.9179.4-177.2-158.27.5110.9E1180 S1187 I1188 L1239E1180-R1184 HydrophobicContact CG-CG 4.2Å; E1180-R1184 WeakPolarHBondContact O-CB 3.33Å; E1180-R1184 WeakPolarHBondContact O-CG 3.33Å; E1180-R1184 PolarHBondContact O-N 3.18Å; E1180-R1184 IonicContact OE1-CZ 3.97Å; E1180-R1184 IonicContact OE1-NE 3.23Å; E1180-R1184 PolarHBondContact OE1-NE 3.36Å; E1180-R1184 IonicContact OE1-NH2 3.14Å; E1180-R1184 PolarHBondContact OE1-NH2 3.46Å; E1180-R1184 IonicContact OE2-NH2 2.94Å; R1184-S1187 WeakPolarHBondContact O-CB 3.46Å; R1184-S1187 PolarHBondContact O-N 3.03Å; R1184-I1188 PolarHBondContact O-N 2.93Å; R1184-L1239 HydrophobicContact CB-CD1 3.65Å; R1184-L1239 HydrophobicContact CB-CD2 4.05Å; R1184-L1239 HydrophobicContact CG-CD1 4.49Å
1185T96.3Very high92.4Very high0 Ų059.2 Ų59.20%030%0.301CS..Hα-helixtrans-70.2-41.6178.4-55.70000112.7I1181 H1183 S1187 I1188 L1189 F1199 L1215 M1235I1181-T1185 VanDerWaalsContact O-CB 3.26Å; I1181-T1185 WeakPolarHBondContact O-CB 3.5Å; I1181-T1185 PolarHBondContact O-N 3.21Å; I1181-T1185 PolarHBondContact O-OG1 2.71Å; H1183-T1185 PolarHBondContact O-N 3.07Å; T1185-S1187 PolarHBondContact O-N 3.47Å; T1185-I1188 PolarHBondContact O-N 3.02Å; T1185-L1189 HydrophobicContact CG2-CD1 3.92Å; T1185-L1189 HydrophobicContact CG2-CG 4.16Å; T1185-L1189 WeakPolarHBondContact O-CB 3.14Å; T1185-L1189 VanDerWaalsContact O-CG 3.24Å; T1185-L1189 WeakPolarHBondContact O-CG 3.43Å; T1185-L1189 PolarHBondContact O-N 3.07Å; T1185-F1199 HydrophobicContact CG2-CE1 3.73Å; T1185-F1199 HydrophobicContact CG2-CE2 4.12Å; T1185-F1199 HydrophobicContact CG2-CZ 3.5Å; T1185-F1199 VanDerWaalsContact CG2-CZ 3.5Å; T1185-L1215 HydrophobicContact CG2-CD2 4.25Å; T1185-M1235 HydrophobicContact CG2-CG 3.84Å; T1185-M1235 HydrophobicContact CG2-SD 3.71Å; T1185-M1235 WeakPolarHBondContact OG1-CG 3.41Å; T1185-M1235 PolarHBondContact OG1-SD 3.31Å; T1185-M1235 VanDerWaalsContact OG1-SD 3.41Å
1186R95.1Very high92.9Very high84 Ų8456 Ų5632%0.31729%0.286SS..Hα-helixtrans-55.3-40.3170-83.8-175-102.3131.8-6.2111.4E1179 A1182 H1183 S1190 L1215E1179-R1186 IonicContact OE1-NH2 2.71Å; E1179-R1186 PolarHBondContact OE1-NH2 2.88Å; A1182-R1186 WeakPolarHBondContact O-CB 3.39Å; A1182-R1186 WeakPolarHBondContact O-CG 3.48Å; A1182-R1186 PolarHBondContact O-N 2.83Å; H1183-R1186 WeakPolarHBondContact O-CB 3.11Å; H1183-R1186 PolarHBondContact O-N 2.93Å; R1186-S1190 WeakPolarHBondContact O-CB 3.31Å; R1186-S1190 PolarHBondContact O-N 3.22Å; R1186-S1190 VanDerWaalsContact O-N 3.1Å; R1186-L1215 HydrophobicContact CG-CB 4.12Å; R1186-L1215 HydrophobicContact CG-CD1 4.31Å; R1186-L1215 HydrophobicContact CG-CD2 4.47Å; R1186-L1215 PolarHBondContact NE-O 3.27Å; R1186-L1215 PolarHBondContact NH2-O 2.94Å
1187S93.7Very high93Very high67 Ų6763.7 Ų63.747%0.46931%0.313SS..Hα-helixtrans-63.4-56.9177.2-1650000111.9H1183 R1184 T1185 L1189 S1190 Q1191H1183-S1187 PolarHBondContact O-N 2.78Å; R1184-S1187 WeakPolarHBondContact O-CB 3.46Å; R1184-S1187 PolarHBondContact O-N 3.03Å; T1185-S1187 PolarHBondContact O-N 3.47Å; S1187-L1189 PolarHBondContact O-N 2.89Å; S1187-S1190 CarbonylContact O-C 3.6Å; S1187-S1190 WeakPolarHBondContact O-CA 3.5Å; S1187-S1190 PolarHBondContact O-N 3.27Å; S1187-Q1191 WeakPolarHBondContact O-CB 3.35Å; S1187-Q1191 PolarHBondContact O-N 3.28Å
1188I92.3Very high92.9Very high33 Ų3362.2 Ų62.217%0.16930%0.3CS..Hα-helixtrans-58.9-44.5-179.7-68.6-172.2000111.7R1184 T1185 S1190 Q1191 Y1192 F1238 L1239 I1245R1184-I1188 PolarHBondContact O-N 2.93Å; T1185-I1188 PolarHBondContact O-N 3.02Å; I1188-S1190 VanDerWaalsContact C-N 3.28Å; I1188-S1190 PolarHBondContact O-N 3.49Å; I1188-Q1191 PolarHBondContact O-N 3.05Å; I1188-Q1191 VanDerWaalsContact O-N 3.14Å; I1188-Y1192 HydrophobicContact CG2-CD2 3.87Å; I1188-Y1192 HydrophobicContact CG2-CE2 4.19Å; I1188-Y1192 WeakPolarHBondContact O-CD2 3.4Å; I1188-Y1192 PolarHBondContact O-N 3.44Å; I1188-F1238 HydrophobicContact CG2-CE1 3.96Å; I1188-F1238 HydrophobicContact CG2-CZ 4.12Å; I1188-L1239 HydrophobicContact CD1-CD2 3.66Å; I1188-L1239 HydrophobicContact CG1-CD2 4.44Å; I1188-I1245 HydrophobicContact CD1-CD1 4.33Å; I1188-I1245 HydrophobicContact CG2-CD1 3.71Å; I1188-I1245 HydrophobicContact CG2-CG1 4.14Å
1189L93.5Very high92.9Very high10 Ų1061.8 Ų61.85%0.05230%0.297CS..Hα-helixtrans-60.7-37.2176.6-67.7178.4000112.2T1185 S1187 S1193 I1194 Q1196 F1199 L1215T1185-L1189 HydrophobicContact CG2-CD1 3.92Å; T1185-L1189 HydrophobicContact CG2-CG 4.16Å; T1185-L1189 WeakPolarHBondContact O-CB 3.14Å; T1185-L1189 VanDerWaalsContact O-CG 3.24Å; T1185-L1189 WeakPolarHBondContact O-CG 3.43Å; T1185-L1189 PolarHBondContact O-N 3.07Å; S1187-L1189 PolarHBondContact O-N 2.89Å; L1189-S1193 CarbonylContact O-C 3.57Å; L1189-S1193 PolarHBondContact O-N 3.32Å; L1189-I1194 HydrophobicContact CD2-CB 3.77Å; L1189-I1194 HydrophobicContact CD2-CG2 3.66Å; L1189-I1194 PolarHBondContact O-N 3.45Å; L1189-Q1196 HydrophobicContact CD1-CG 4.48Å; L1189-F1199 HydrophobicContact CD1-CB 4.11Å; L1189-F1199 HydrophobicContact CD1-CD1 3.76Å; L1189-F1199 HydrophobicContact CD1-CD2 4.44Å; L1189-F1199 HydrophobicContact CD1-CE1 4.27Å; L1189-F1199 HydrophobicContact CD1-CG 3.85Å; L1189-F1199 HydrophobicContact CD2-CB 3.73Å; L1189-F1199 HydrophobicContact CD2-CD2 3.81Å; L1189-F1199 HydrophobicContact CD2-CG 3.77Å; L1189-F1199 HydrophobicContact CG-CG 4.4Å; L1189-L1215 HydrophobicContact CD1-CD1 4.12Å
1190S89.8Confident92.9Very high57 Ų5757.1 Ų57.140%0.39928%0.276SS..Hα-helixtrans-73.1-34.7173.9-172.30000113.4R1186 S1187 I1188 K1444R1186-S1190 WeakPolarHBondContact O-CB 3.31Å; R1186-S1190 PolarHBondContact O-N 3.22Å; R1186-S1190 VanDerWaalsContact O-N 3.1Å; S1187-S1190 CarbonylContact O-C 3.6Å; S1187-S1190 WeakPolarHBondContact O-CA 3.5Å; S1187-S1190 PolarHBondContact O-N 3.27Å; I1188-S1190 VanDerWaalsContact C-N 3.28Å; I1188-S1190 PolarHBondContact O-N 3.49Å; S1190-K1444 PolarHBondContact OG-NZ 3.45Å
1191Q88.9Confident92.7Very high108 Ų10854.5 Ų54.551%0.50527%0.269SS..Hα-helixtrans-67.8-44.7-177.4-175.2-178.613.100111.6S1187 I1188 S1380S1187-Q1191 WeakPolarHBondContact O-CB 3.35Å; S1187-Q1191 PolarHBondContact O-N 3.28Å; I1188-Q1191 PolarHBondContact O-N 3.05Å; I1188-Q1191 VanDerWaalsContact O-N 3.14Å; Q1191-S1380 PolarHBondContact O-OG 3.27Å
1192Y87.6Confident92.4Very high103 Ų10355.4 Ų55.440%0.40427%0.273SS..THydrogen-bonded Turntrans-92.27179.8-65.9-88.6000113.4I1188 I1194 I1245 L1249I1188-Y1192 HydrophobicContact CG2-CD2 3.87Å; I1188-Y1192 HydrophobicContact CG2-CE2 4.19Å; I1188-Y1192 WeakPolarHBondContact O-CD2 3.4Å; I1188-Y1192 PolarHBondContact O-N 3.44Å; Y1192-I1194 PolarHBondContact O-N 3.46Å; Y1192-I1245 HydrophobicContact CD1-CG2 3.85Å; Y1192-I1245 HydrophobicContact CD2-CD1 4.39Å; Y1192-I1245 HydrophobicContact CD2-CG2 3.85Å; Y1192-I1245 HydrophobicContact CE1-CG2 4.17Å; Y1192-I1245 HydrophobicContact CE2-CD1 3.93Å; Y1192-I1245 HydrophobicContact CE2-CG2 4.18Å; Y1192-I1245 HydrophobicContact CG-CG2 3.68Å; Y1192-L1249 HydrophobicContact CD1-CD1 4.24Å
1193S88.6Confident92.1Very high68 Ų6855.4 Ų55.448%0.47627%0.273SS..THydrogen-bonded Turntrans57.524.8-176.5-52.90000114.7L1189 S1195L1189-S1193 CarbonylContact O-C 3.57Å; L1189-S1193 PolarHBondContact O-N 3.32Å; S1193-S1195 PolarHBondContact O-N 2.8Å
1194I89.1Confident92Very high10 Ų1050.5 Ų50.55%0.05125%0.25CS..  trans-81.4119.6-175.8-60.2174.6000109.5L1189 Y1192 I1245 L1248 L1249L1189-I1194 HydrophobicContact CD2-CB 3.77Å; L1189-I1194 HydrophobicContact CD2-CG2 3.66Å; L1189-I1194 PolarHBondContact O-N 3.45Å; Y1192-I1194 PolarHBondContact O-N 3.46Å; I1194-I1245 HydrophobicContact CD1-CG2 3.78Å; I1194-L1248 HydrophobicContact CD1-CD2 4.16Å; I1194-L1248 HydrophobicContact CD1-CG 4.46Å; I1194-L1248 HydrophobicContact CG2-CD2 3.73Å; I1194-L1248 HydrophobicContact CG2-CG 4.16Å; I1194-L1249 HydrophobicContact CD1-CD2 4.26Å; I1194-L1249 HydrophobicContact CD1-CG 4.11Å; I1194-L1249 HydrophobicContact CG1-CD2 4.02Å; I1194-L1249 HydrophobicContact CG1-CG 4.42Å
1195S91Very high91.8Very high53 Ų5347.3 Ų47.337%0.37126%0.255SS..  trans-68.5142179.881.50000112.4S1193 R1197 L1198 F1199S1193-S1195 PolarHBondContact O-N 2.8Å; S1195-R1197 PolarHBondContact O-N 2.97Å; S1195-L1198 PolarHBondContact O-N 3.48Å; S1195-L1198 VanDerWaalsContact OG-CD1 3.29Å; S1195-L1198 WeakPolarHBondContact OG-CD1 3.33Å; S1195-L1198 WeakPolarHBondContact OG-CG 3.15Å; S1195-L1198 PolarHBondContact OG-N 3.03Å; S1195-F1199 PolarHBondContact O-N 2.89Å
1196Q93.1Very high91.6Very high54 Ų5449.9 Ų49.925%0.25227%0.268SS..Hα-helixtrans-53.4-24.7171.8-71.5177.9-12.600113.5L1189 G1200 Q1208 V1211 L1215L1189-Q1196 HydrophobicContact CD1-CG 4.48Å; Q1196-G1200 PolarHBondContact O-N 3.22Å; Q1196-Q1208 HydrophobicContact CB-CG 4.15Å; Q1196-V1211 HydrophobicContact CB-CG1 4Å; Q1196-V1211 HydrophobicContact CG-CG1 4.17Å; Q1196-L1215 HydrophobicContact CG-CD1 4.23Å
1197R91.5Very high91.5Very high186 Ų18649.1 Ų49.170%0.70228%0.276SS*.Hα-helixtrans-69.6-40.1175.9-176.9175.4178.5166.6-0.1112.2S1195 A1201 Q1208S1195-R1197 PolarHBondContact O-N 2.97Å; R1197-A1201 WeakPolarHBondContact O-CB 3.47Å; R1197-A1201 PolarHBondContact O-N 3.17Å; R1197-A1201 VanDerWaalsContact O-N 3.12Å; R1197-Q1208 HydrophobicContact CB-CB 3.94Å; R1197-Q1208 HydrophobicContact CB-CG 3.98Å; R1197-Q1208 HydrophobicContact CG-CB 4.29Å
1198L90.4Very high91.4Very high41 Ų4150.3 Ų50.322%0.21527%0.274CS..Hα-helixtrans-74.1-49.5178.6-65.4157.3000108.7S1195 G1200 A1201 Y1202 C1252S1195-L1198 PolarHBondContact O-N 3.48Å; S1195-L1198 VanDerWaalsContact OG-CD1 3.29Å; S1195-L1198 WeakPolarHBondContact OG-CD1 3.33Å; S1195-L1198 WeakPolarHBondContact OG-CG 3.15Å; S1195-L1198 PolarHBondContact OG-N 3.03Å; L1198-G1200 VanDerWaalsContact C-N 3.33Å; L1198-G1200 PolarHBondContact O-N 2.85Å; L1198-A1201 PolarHBondContact O-N 2.96Å; L1198-Y1202 HydrophobicContact CD2-CD2 4.42Å; L1198-Y1202 HydrophobicContact CD2-CE2 4.12Å; L1198-Y1202 WeakPolarHBondContact O-CB 3.29Å; L1198-Y1202 WeakPolarHBondContact O-CD2 3.48Å; L1198-Y1202 PolarHBondContact O-N 3.33Å; L1198-C1252 HydrophobicContact CD1-CB 4.24Å; L1198-C1252 VanDerWaalsContact CD1-SG 3.55Å; L1198-C1252 HydrophobicContact CD2-CB 4.48Å
1199F94.7Very high91.4Very high0 Ų050.2 Ų50.20%028%0.281CS..Hα-helixtrans-54.3-44.4172.9-178.5-109.4000113.3T1185 L1189 S1195 I1203 L1204 V1211 M1235 F1238 L1248T1185-F1199 HydrophobicContact CG2-CE1 3.73Å; T1185-F1199 HydrophobicContact CG2-CE2 4.12Å; T1185-F1199 HydrophobicContact CG2-CZ 3.5Å; T1185-F1199 VanDerWaalsContact CG2-CZ 3.5Å; L1189-F1199 HydrophobicContact CD1-CB 4.11Å; L1189-F1199 HydrophobicContact CD1-CD1 3.76Å; L1189-F1199 HydrophobicContact CD1-CD2 4.44Å; L1189-F1199 HydrophobicContact CD1-CE1 4.27Å; L1189-F1199 HydrophobicContact CD1-CG 3.85Å; L1189-F1199 HydrophobicContact CD2-CB 3.73Å; L1189-F1199 HydrophobicContact CD2-CD2 3.81Å; L1189-F1199 HydrophobicContact CD2-CG 3.77Å; L1189-F1199 HydrophobicContact CG-CG 4.4Å; S1195-F1199 PolarHBondContact O-N 2.89Å; F1199-I1203 HydrophobicContact CD2-CB 3.76Å; F1199-I1203 HydrophobicContact CD2-CG1 3.62Å; F1199-I1203 HydrophobicContact CD2-CG2 4.23Å; F1199-I1203 HydrophobicContact CE2-CB 3.69Å; F1199-I1203 HydrophobicContact CE2-CG1 3.83Å; F1199-I1203 HydrophobicContact CE2-CG2 3.61Å; F1199-I1203 HydrophobicContact CG-CB 4.49Å; F1199-I1203 HydrophobicContact CZ-CB 4.36Å; F1199-I1203 HydrophobicContact CZ-CG2 4.09Å; F1199-I1203 WeakPolarHBondContact O-CA 3.48Å; F1199-I1203 WeakPolarHBondContact O-CB 3.4Å; F1199-I1203 PolarHBondContact O-N 3.35Å; F1199-L1204 HydrophobicContact CD1-CD1 4.09Å; F1199-L1204 HydrophobicContact CD1-CG 4.33Å; F1199-L1204 HydrophobicContact CE1-CD1 3.45Å; F1199-L1204 VanDerWaalsContact CE1-CD1 3.45Å; F1199-L1204 HydrophobicContact CE1-CD2 4.42Å; F1199-L1204 HydrophobicContact CE1-CG 3.77Å; F1199-L1204 HydrophobicContact CZ-CD1 4.13Å; F1199-L1204 HydrophobicContact CZ-CD2 4.29Å; F1199-L1204 HydrophobicContact CZ-CG 4.05Å; F1199-L1204 PolarHBondContact O-N 3.04Å; F1199-V1211 HydrophobicContact CD1-CG1 4.01Å; F1199-M1235 HydrophobicContact CE1-SD 4.36Å; F1199-M1235 HydrophobicContact CZ-CG 4.09Å; F1199-M1235 HydrophobicContact CZ-SD 4.35Å; F1199-F1238 HydrophobicContact CD2-CE1 4.36Å; F1199-F1238 HydrophobicContact CD2-CE2 4.34Å; F1199-F1238 HydrophobicContact CD2-CZ 4.25Å; F1199-F1238 HydrophobicContact CE2-CB 4.45Å; F1199-F1238 AromaticContact CE2-CD1 3.66Å; F1199-F1238 HydrophobicContact CE2-CD1 3.66Å; F1199-F1238 HydrophobicContact CE2-CD2 4.04Å; F1199-F1238 AromaticContact CE2-CE1 3.81Å; F1199-F1238 HydrophobicContact CE2-CE1 3.81Å; F1199-F1238 HydrophobicContact CE2-CE2 4.19Å; F1199-F1238 AromaticContact CE2-CG 3.78Å; F1199-F1238 HydrophobicContact CE2-CG 3.78Å; F1199-F1238 HydrophobicContact CE2-CZ 4.08Å; F1199-F1238 HydrophobicContact CZ-CD1 4.32Å; F1199-L1248 HydrophobicContact CD2-CD2 4.1Å
1200G95Very high91.5Very high0 Ų052.4 Ų52.40%030%0.297CS..Iπ-helixtrans-61.8-48.3175.700000113.3Q1196 L1198 G1205 L1206Q1196-G1200 PolarHBondContact O-N 3.22Å; L1198-G1200 VanDerWaalsContact C-N 3.33Å; L1198-G1200 PolarHBondContact O-N 2.85Å; G1200-G1205 CarbonylContact O-C 3.57Å; G1200-G1205 WeakPolarHBondContact O-CA 3.31Å; G1200-G1205 PolarHBondContact O-N 2.78Å; G1200-L1206 CarbonylContact C-O 3.55Å; G1200-L1206 WeakPolarHBondContact CA-O 3.4Å; G1200-L1206 PolarHBondContact O-N 2.89Å
1201A90.2Very high91.8Very high34 Ų3449.7 Ų49.728%0.28128%0.278SS..Iπ-helixtrans-68.9-34.2-179.200000113.8R1197 L1198R1197-A1201 WeakPolarHBondContact O-CB 3.47Å; R1197-A1201 PolarHBondContact O-N 3.17Å; R1197-A1201 VanDerWaalsContact O-N 3.12Å; L1198-A1201 PolarHBondContact O-N 2.96Å
1202Y89.7Confident92.2Very high23 Ų2346.6 Ų46.69%0.0927%0.269CS..Iπ-helixtrans-108.2-17.6-169.1-75.7-83.2000115.2R1159 V1160 V1161 L1198 L1248 S1251 Q1255R1159-Y1202 WeakPolarHBondContact O-CA 3.35Å; R1159-Y1202 WeakPolarHBondContact O-CD1 3.33Å; V1160-Y1202 CarbonylContact C-O 3.59Å; V1160-Y1202 WeakPolarHBondContact CA-O 3.38Å; V1161-Y1202 HydrophobicContact CG2-CD1 3.84Å; V1161-Y1202 HydrophobicContact CG2-CG 4.42Å; V1161-Y1202 PolarHBondContact N-O 2.91Å; L1198-Y1202 HydrophobicContact CD2-CD2 4.42Å; L1198-Y1202 HydrophobicContact CD2-CE2 4.12Å; L1198-Y1202 WeakPolarHBondContact O-CB 3.29Å; L1198-Y1202 WeakPolarHBondContact O-CD2 3.48Å; L1198-Y1202 PolarHBondContact O-N 3.33Å; Y1202-L1248 VanDerWaalsContact CB-CD1 3.46Å; Y1202-L1248 HydrophobicContact CD2-CD1 4.37Å; Y1202-L1248 HydrophobicContact CG-CD1 4.11Å; Y1202-S1251 PolarHBondContact OH-O 2.88Å; Y1202-Q1255 PolarHBondContact OH-NE2 3.25Å
1203I91.9Very high92.5Very high0 Ų045.9 Ų45.90%027%0.272CS..Iπ-helixtrans-116.4-43.1178.3-57.1-61.5000111.8V1160 V1161 L1162 F1199 F1238 L1248V1160-I1203 WeakPolarHBondContact CG1-O 3.43Å; V1161-I1203 HydrophobicContact CB-CD1 4.28Å; L1162-I1203 HydrophobicContact CD1-CG2 3.7Å; L1162-I1203 HydrophobicContact CG-CD1 4.4Å; L1162-I1203 HydrophobicContact CG-CG2 4.23Å; F1199-I1203 HydrophobicContact CD2-CB 3.76Å; F1199-I1203 HydrophobicContact CD2-CG1 3.62Å; F1199-I1203 HydrophobicContact CD2-CG2 4.23Å; F1199-I1203 HydrophobicContact CE2-CB 3.69Å; F1199-I1203 HydrophobicContact CE2-CG1 3.83Å; F1199-I1203 HydrophobicContact CE2-CG2 3.61Å; F1199-I1203 HydrophobicContact CG-CB 4.49Å; F1199-I1203 HydrophobicContact CZ-CB 4.36Å; F1199-I1203 HydrophobicContact CZ-CG2 4.09Å; F1199-I1203 WeakPolarHBondContact O-CA 3.48Å; F1199-I1203 WeakPolarHBondContact O-CB 3.4Å; F1199-I1203 PolarHBondContact O-N 3.35Å; I1203-F1238 HydrophobicContact CD1-CD2 3.81Å; I1203-F1238 HydrophobicContact CD1-CE2 4.31Å; I1203-F1238 HydrophobicContact CG1-CD2 3.89Å; I1203-F1238 HydrophobicContact CG1-CE2 4.24Å; I1203-F1238 HydrophobicContact CG2-CB 3.88Å; I1203-F1238 HydrophobicContact CG2-CD2 4.21Å; I1203-F1238 HydrophobicContact CG2-CG 4.21Å; I1203-L1248 HydrophobicContact CD1-CD2 4.36Å; I1203-L1248 HydrophobicContact CG1-CD1 4.37Å; I1203-L1248 HydrophobicContact CG1-CD2 3.87Å
1204L93.1Very high92.9Very high9 Ų944 Ų445%0.04726%0.256CS..Iπ-helixtrans-101.4-15.6-172.4-60.2-173.5000115.2F1199 L1206 V1211 L1214 P1231 R1234 M1235F1199-L1204 HydrophobicContact CD1-CD1 4.09Å; F1199-L1204 HydrophobicContact CD1-CG 4.33Å; F1199-L1204 HydrophobicContact CE1-CD1 3.45Å; F1199-L1204 VanDerWaalsContact CE1-CD1 3.45Å; F1199-L1204 HydrophobicContact CE1-CD2 4.42Å; F1199-L1204 HydrophobicContact CE1-CG 3.77Å; F1199-L1204 HydrophobicContact CZ-CD1 4.13Å; F1199-L1204 HydrophobicContact CZ-CD2 4.29Å; F1199-L1204 HydrophobicContact CZ-CG 4.05Å; F1199-L1204 PolarHBondContact O-N 3.04Å; L1204-L1206 HydrophobicContact CB-CB 4.11Å; L1204-L1206 HydrophobicContact CB-CD1 4.09Å; L1204-L1206 HydrophobicContact CB-CG 3.97Å; L1204-L1206 HydrophobicContact CD1-CD1 4.27Å; L1204-L1206 PolarHBondContact O-N 3.13Å; L1204-V1211 HydrophobicContact CD1-CG2 4.05Å; L1204-L1214 HydrophobicContact CD1-CD2 3.91Å; L1204-P1231 HydrophobicContact CD2-CB 4.45Å; L1204-P1231 VanDerWaalsContact CD2-O 3.28Å; L1204-P1231 WeakPolarHBondContact CD2-O 3.05Å; L1204-R1234 HydrophobicContact CD2-CB 3.67Å; L1204-M1235 HydrophobicContact CD2-CB 4.33Å
1205G92Very high93.2Very high54 Ų5443.6 Ų43.656%0.55725%0.254SS*.  trans66.819.5-170.100000113.9G1200G1200-G1205 CarbonylContact O-C 3.57Å; G1200-G1205 WeakPolarHBondContact O-CA 3.31Å; G1200-G1205 PolarHBondContact O-N 2.78Å
1206L93.4Very high93.4Very high54 Ų5444 Ų4428%0.28326%0.261SS..  trans-110.3154.5-171.8-69.2-176.6000112.9G1200 L1204 V1211 L1214 P1231G1200-L1206 CarbonylContact C-O 3.55Å; G1200-L1206 WeakPolarHBondContact CA-O 3.4Å; G1200-L1206 PolarHBondContact O-N 2.89Å; L1204-L1206 HydrophobicContact CB-CB 4.11Å; L1204-L1206 HydrophobicContact CB-CD1 4.09Å; L1204-L1206 HydrophobicContact CB-CG 3.97Å; L1204-L1206 HydrophobicContact CD1-CD1 4.27Å; L1204-L1206 PolarHBondContact O-N 3.13Å; L1206-V1211 HydrophobicContact CB-CG2 3.72Å; L1206-V1211 HydrophobicContact CD1-CG2 4.44Å; L1206-L1214 HydrophobicContact CD1-CD2 4.14Å; L1206-P1231 HydrophobicContact CD1-CB 4.1Å; L1206-P1231 HydrophobicContact CD1-CG 4.14Å
1207S92.7Very high93.4Very high68 Ų6850.5 Ų50.548%0.47628%0.283SS..  trans-68.3152.2171.788.50000111.3G1209 S1210 V1211S1207-G1209 VanDerWaalsContact C-N 3.25Å; S1207-G1209 PolarHBondContact O-N 2.89Å; S1207-S1210 WeakPolarHBondContact O-CA 3.4Å; S1207-S1210 WeakPolarHBondContact O-CB 3.48Å; S1207-S1210 PolarHBondContact O-N 3.32Å; S1207-S1210 PolarHBondContact OG-N 3.32Å; S1207-S1210 VanDerWaalsContact OG-N 3.16Å; S1207-S1210 PolarHBondContact OG-OG 3.35Å; S1207-V1211 WeakPolarHBondContact O-CG2 3.24Å; S1207-V1211 PolarHBondContact O-N 3.36Å
1208Q91.4Very high93.4Very high91 Ų9142.2 Ų42.243%0.42525%0.254SS..Hα-helixtrans-56.6-38.3178.6-179.7-85.4-4100112.6Q1196 R1197 V1211 S1212Q1196-Q1208 HydrophobicContact CB-CG 4.15Å; R1197-Q1208 HydrophobicContact CB-CB 3.94Å; R1197-Q1208 HydrophobicContact CB-CG 3.98Å; R1197-Q1208 HydrophobicContact CG-CB 4.29Å; Q1208-V1211 PolarHBondContact O-N 2.94Å; Q1208-S1212 WeakPolarHBondContact O-CB 3.34Å; Q1208-S1212 PolarHBondContact O-N 3.08Å
1209G92.9Very high93.6Very high31 Ų3146.8 Ų46.832%0.3227%0.272SS..Hα-helixtrans-63.2-46.7174.700000111.7S1207 V1211 S1212 D1213S1207-G1209 VanDerWaalsContact C-N 3.25Å; S1207-G1209 PolarHBondContact O-N 2.89Å; G1209-V1211 VanDerWaalsContact C-N 3.3Å; G1209-V1211 PolarHBondContact O-N 2.91Å; G1209-S1212 WeakPolarHBondContact O-CB 3.01Å; G1209-S1212 PolarHBondContact O-N 3.32Å; G1209-S1212 VanDerWaalsContact O-N 3.08Å; G1209-D1213 PolarHBondContact O-N 3.41Å
1210S94.6Very high93.4Very high56 Ų5650.5 Ų50.539%0.39230%0.296SS..Hα-helixtrans-58.9-39.1176-50.10000112.7S1207 L1214S1207-S1210 WeakPolarHBondContact O-CA 3.4Å; S1207-S1210 WeakPolarHBondContact O-CB 3.48Å; S1207-S1210 PolarHBondContact O-N 3.32Å; S1207-S1210 PolarHBondContact OG-N 3.32Å; S1207-S1210 VanDerWaalsContact OG-N 3.16Å; S1207-S1210 PolarHBondContact OG-OG 3.35Å; S1210-L1214 WeakPolarHBondContact O-CB 3.38Å; S1210-L1214 PolarHBondContact O-N 3.16Å
1211V96.1Very high93.4Very high0 Ų051.1 Ų51.10%030%0.298CS..Hα-helixtrans-69-39.9174173.70000111.6Q1196 F1199 L1204 L1206 S1207 Q1208 G1209 L1214 L1215Q1196-V1211 HydrophobicContact CB-CG1 4Å; Q1196-V1211 HydrophobicContact CG-CG1 4.17Å; F1199-V1211 HydrophobicContact CD1-CG1 4.01Å; L1204-V1211 HydrophobicContact CD1-CG2 4.05Å; L1206-V1211 HydrophobicContact CB-CG2 3.72Å; L1206-V1211 HydrophobicContact CD1-CG2 4.44Å; S1207-V1211 WeakPolarHBondContact O-CG2 3.24Å; S1207-V1211 PolarHBondContact O-N 3.36Å; Q1208-V1211 PolarHBondContact O-N 2.94Å; G1209-V1211 VanDerWaalsContact C-N 3.3Å; G1209-V1211 PolarHBondContact O-N 2.91Å; V1211-L1214 PolarHBondContact O-N 3.15Å; V1211-L1215 HydrophobicContact CG1-CD1 3.73Å; V1211-L1215 HydrophobicContact CG1-CG 4.22Å; V1211-L1215 WeakPolarHBondContact O-CB 3.45Å; V1211-L1215 VanDerWaalsContact O-CG 3.32Å; V1211-L1215 WeakPolarHBondContact O-CG 3.34Å; V1211-L1215 PolarHBondContact O-N 3.27Å
1212S96.5Very high93.4Very high43 Ų4357 Ų5730%0.30132%0.317SS..Hα-helixtrans-62.2-45.4176.6-169.60000111.5Q1208 G1209 A1216Q1208-S1212 WeakPolarHBondContact O-CB 3.34Å; Q1208-S1212 PolarHBondContact O-N 3.08Å; G1209-S1212 WeakPolarHBondContact O-CB 3.01Å; G1209-S1212 PolarHBondContact O-N 3.32Å; G1209-S1212 VanDerWaalsContact O-N 3.08Å; S1212-A1216 WeakPolarHBondContact O-CB 3.45Å; S1212-A1216 PolarHBondContact O-N 3.12Å
1213D95.1Very high93.5Very high88 Ų8862.1 Ų62.147%0.47135%0.346SS..Hα-helixtrans-66.7-43.3176.1-78.2-47.5000111.8G1209 L1215 A1216 R1217G1209-D1213 PolarHBondContact O-N 3.41Å; D1213-L1215 PolarHBondContact O-N 2.99Å; D1213-A1216 PolarHBondContact O-N 2.7Å; D1213-R1217 PolarHBondContact O-N 2.82Å; D1213-R1217 IonicContact OD1-NH2 3.45Å; D1213-R1217 PolarHBondContact OD1-NH2 2.96Å
1214L96Very high93.5Very high29 Ų2963 Ų6315%0.15235%0.351CS..Hα-helixtrans-58.3-44.4176.8-17774000112.3L1204 L1206 S1210 V1211 P1218 P1231 F1232L1204-L1214 HydrophobicContact CD1-CD2 3.91Å; L1206-L1214 HydrophobicContact CD1-CD2 4.14Å; S1210-L1214 WeakPolarHBondContact O-CB 3.38Å; S1210-L1214 PolarHBondContact O-N 3.16Å; V1211-L1214 PolarHBondContact O-N 3.15Å; L1214-P1218 WeakPolarHBondContact O-CA 3.39Å; L1214-P1231 HydrophobicContact CD2-CB 3.69Å; L1214-F1232 HydrophobicContact CD1-CD2 4.33Å; L1214-F1232 HydrophobicContact CD1-CE1 4.42Å; L1214-F1232 HydrophobicContact CD1-CE2 3.48Å; L1214-F1232 VanDerWaalsContact CD1-CE2 3.48Å; L1214-F1232 HydrophobicContact CD1-CZ 3.53Å; L1214-F1232 HydrophobicContact CG-CE2 4.49Å; L1214-F1232 HydrophobicContact CG-CZ 4.2Å
1215L96.2Very high93.4Very high1 Ų167.6 Ų67.61%0.00538%0.379CS..Hα-helixtrans-77.7-30.8-179.4-70.5176.7000112.8A1182 T1185 R1186 L1189 Q1196 V1211 D1213 M1235A1182-L1215 HydrophobicContact CB-CD2 4.06Å; T1185-L1215 HydrophobicContact CG2-CD2 4.25Å; R1186-L1215 HydrophobicContact CG-CB 4.12Å; R1186-L1215 HydrophobicContact CG-CD1 4.31Å; R1186-L1215 HydrophobicContact CG-CD2 4.47Å; R1186-L1215 PolarHBondContact NE-O 3.27Å; R1186-L1215 PolarHBondContact NH2-O 2.94Å; L1189-L1215 HydrophobicContact CD1-CD1 4.12Å; Q1196-L1215 HydrophobicContact CG-CD1 4.23Å; V1211-L1215 HydrophobicContact CG1-CD1 3.73Å; V1211-L1215 HydrophobicContact CG1-CG 4.22Å; V1211-L1215 WeakPolarHBondContact O-CB 3.45Å; V1211-L1215 VanDerWaalsContact O-CG 3.32Å; V1211-L1215 WeakPolarHBondContact O-CG 3.34Å; V1211-L1215 PolarHBondContact O-N 3.27Å; D1213-L1215 PolarHBondContact O-N 2.99Å; L1215-M1235 HydrophobicContact CD2-CE 4.27Å; L1215-M1235 HydrophobicContact CD2-SD 3.64Å
1216A94.3Very high93Very high63 Ų6371.2 Ų71.252%0.52138%0.381SS..Hα-helixtrans-86.4-25.5-17800000113.8S1212 D1213S1212-A1216 WeakPolarHBondContact O-CB 3.45Å; S1212-A1216 PolarHBondContact O-N 3.12Å; D1213-A1216 PolarHBondContact O-N 2.7Å
1217R93.4Very high92.7Very high189 Ų18976.8 Ų76.871%0.71340%0.403SS*.SBendtrans-141.462.5-179.1-69.3-178.3-87-158.2-3.9110.9D1213 K1219D1213-R1217 PolarHBondContact O-N 2.82Å; D1213-R1217 IonicContact OD1-NH2 3.45Å; D1213-R1217 PolarHBondContact OD1-NH2 2.96Å; R1217-K1219 PolarHBondContact O-N 3.14Å
1218P92.8Very high92.6Very high13 Ų1374.6 Ų74.68%0.08439%0.391CS..PPolyproline II helixtrans-64.5127.5179.229.1-34.5000110E1179 A1182 L1214 F1232E1179-P1218 HydrophobicContact CB-CG 4.35Å; E1179-P1218 VanDerWaalsContact CD-CG 3.47Å; E1179-P1218 WeakPolarHBondContact OE1-CG 3.26Å; E1179-P1218 VanDerWaalsContact OE2-CG 3.22Å; E1179-P1218 WeakPolarHBondContact OE2-CG 3.27Å; A1182-P1218 HydrophobicContact CB-CB 4.04Å; A1182-P1218 HydrophobicContact CB-CG 3.94Å; L1214-P1218 WeakPolarHBondContact O-CA 3.39Å; P1218-F1232 HydrophobicContact CB-CE1 3.8Å; P1218-F1232 HydrophobicContact CB-CZ 3.73Å
1219K93.3Very high92.7Very high137 Ų13773.6 Ų73.660%0.59638%0.383SS*.PPolyproline II helixtrans-76.1141.3175.6-67.3-174.8175-171.70110T1178 R1217 L1224T1178-K1219 WeakPolarHBondContact CB-O 3.48Å; T1178-K1219 WeakPolarHBondContact CG2-O 3.49Å; T1178-K1219 PolarHBondContact OG1-O 3.16Å; R1217-K1219 PolarHBondContact O-N 3.14Å; K1219-L1224 HydrophobicContact CB-CD2 3.84Å; K1219-L1224 HydrophobicContact CB-CG 4.39Å; K1219-L1224 HydrophobicContact CD-CD2 4.46Å
1220P91.7Very high92.7Very high77 Ų7775.1 Ų75.150%0.538%0.382SS..PPolyproline II helixtrans-52.7140172.4-27.234.8000112.2K1222 L1223 L1224P1220-K1222 VanDerWaalsContact C-N 3.27Å; P1220-K1222 PolarHBondContact O-N 3.47Å; P1220-K1222 VanDerWaalsContact O-N 3.14Å; P1220-L1223 HydrophobicContact CG-CD1 4.4Å; P1220-L1223 WeakPolarHBondContact O-CA 3.45Å; P1220-L1223 WeakPolarHBondContact O-CB 3.4Å; P1220-L1223 PolarHBondContact O-N 2.9Å; P1220-L1224 PolarHBondContact O-N 2.86Å
1221W93.8Very high92.7Very high13 Ų1373.4 Ų73.45%0.04937%0.37CS..G310 helixtrans-51.4-40.4-174.7-176-102.7000114.9Y1173 S1174 L1176 T1178 L1223 L1224 R1229 F1232 I1233Y1173-W1221 VanDerWaalsContact O-CH2 3.29Å; Y1173-W1221 WeakPolarHBondContact O-CH2 3.42Å; Y1173-W1221 WeakPolarHBondContact O-CZ2 3.24Å; S1174-W1221 PolarHBondContact O-NE1 2.95Å; L1176-W1221 HydrophobicContact CB-CD2 4.2Å; L1176-W1221 HydrophobicContact CB-CE3 3.83Å; L1176-W1221 HydrophobicContact CB-CH2 4.21Å; L1176-W1221 HydrophobicContact CB-CZ3 3.85Å; L1176-W1221 HydrophobicContact CD1-CH2 3.85Å; L1176-W1221 HydrophobicContact CD1-CZ3 3.76Å; L1176-W1221 HydrophobicContact CG-CH2 4.09Å; L1176-W1221 HydrophobicContact CG-CZ3 4.13Å; L1176-W1221 WeakPolarHBondContact O-CB 3.44Å; T1178-W1221 HydrophobicContact CG2-CB 3.99Å; T1178-W1221 HydrophobicContact CG2-CE3 3.88Å; W1221-L1223 PolarHBondContact O-N 2.96Å; W1221-L1224 HydrophobicContact CE3-CD1 4.03Å; W1221-L1224 WeakPolarHBondContact O-CB 3.37Å; W1221-L1224 PolarHBondContact O-N 2.99Å; W1221-R1229 HydrophobicContact CD2-CG 4.11Å; W1221-R1229 HydrophobicContact CE3-CB 4.32Å; W1221-R1229 HydrophobicContact CE3-CG 3.92Å; W1221-R1229 HydrophobicContact CH2-CB 3.58Å; W1221-R1229 HydrophobicContact CH2-CG 3.74Å; W1221-R1229 HydrophobicContact CZ2-CB 4.16Å; W1221-R1229 HydrophobicContact CZ2-CG 3.89Å; W1221-R1229 HydrophobicContact CZ3-CB 3.64Å; W1221-R1229 HydrophobicContact CZ3-CG 3.72Å; W1221-F1232 HydrophobicContact CZ3-CB 4.1Å; W1221-I1233 HydrophobicContact CH2-CD1 4.09Å; W1221-I1233 HydrophobicContact CH2-CG1 3.84Å; W1221-I1233 HydrophobicContact CZ3-CG1 4.37Å
1222K90.2Very high92.7Very high158 Ų15873.4 Ų73.469%0.68737%0.37SS*.G310 helixtrans-64.3-19.6178.7-57.2-170.6-179.8-167.90113.2E1175 P1220E1175-K1222 WeakPolarHBondContact OE1-CE 3.43Å; E1175-K1222 IonicContact OE1-NZ 2.73Å; E1175-K1222 PolarHBondContact OE1-NZ 3.21Å; P1220-K1222 VanDerWaalsContact C-N 3.27Å; P1220-K1222 PolarHBondContact O-N 3.47Å; P1220-K1222 VanDerWaalsContact O-N 3.14Å
1223L92.1Very high92.5Very high131 Ų13171.4 Ų71.469%0.68636%0.356SS*.G310 helixtrans-101.47.4176.2-57.5178000113P1220 W1221P1220-L1223 HydrophobicContact CG-CD1 4.4Å; P1220-L1223 WeakPolarHBondContact O-CA 3.45Å; P1220-L1223 WeakPolarHBondContact O-CB 3.4Å; P1220-L1223 PolarHBondContact O-N 2.9Å; W1221-L1223 PolarHBondContact O-N 2.96Å
1224L91.5Very high92.5Very high19 Ų1968.5 Ų68.510%0.09934%0.338CS..  trans-96123.6172.3-66.3175.9000110.8T1178 K1219 P1220 W1221 R1229 F1232T1178-L1224 HydrophobicContact CG2-CD1 3.73Å; K1219-L1224 HydrophobicContact CB-CD2 3.84Å; K1219-L1224 HydrophobicContact CB-CG 4.39Å; K1219-L1224 HydrophobicContact CD-CD2 4.46Å; P1220-L1224 PolarHBondContact O-N 2.86Å; W1221-L1224 HydrophobicContact CE3-CD1 4.03Å; W1221-L1224 WeakPolarHBondContact O-CB 3.37Å; W1221-L1224 PolarHBondContact O-N 2.99Å; L1224-R1229 HydrophobicContact CB-CG 3.66Å; L1224-R1229 HydrophobicContact CD1-CG 4.3Å; L1224-R1229 PolarHBondContact O-NE 3.14Å; L1224-F1232 HydrophobicContact CD1-CD2 3.46Å; L1224-F1232 VanDerWaalsContact CD1-CD2 3.46Å; L1224-F1232 HydrophobicContact CD1-CE2 3.48Å; L1224-F1232 VanDerWaalsContact CD1-CE2 3.48Å; L1224-F1232 HydrophobicContact CD1-CG 4.41Å; L1224-F1232 HydrophobicContact CD1-CZ 4.46Å; L1224-F1232 HydrophobicContact CD2-CE2 4.24Å
1225T90.9Very high92.4Very high105 Ų10567.1 Ų67.164%0.64433%0.331SS*.  trans-58.7157.9162.5620000110K1227 G1228 R1229T1225-K1227 PolarHBondContact O-N 3.5Å; T1225-K1227 VanDerWaalsContact O-N 3.16Å; T1225-G1228 CarbonylContact O-C 3.58Å; T1225-G1228 VanDerWaalsContact O-CA 3.27Å; T1225-G1228 WeakPolarHBondContact O-CA 3.43Å; T1225-G1228 PolarHBondContact O-N 3.11Å; T1225-G1228 PolarHBondContact OG1-N 2.95Å; T1225-R1229 PolarHBondContact O-N 3.33Å
1226Q84.8Confident92.3Very high130 Ų13068.1 Ų68.161%0.60734%0.336SS*.Hα-helixtrans-52.9-41.4-178.5-162.2173.91100112.7G1228 R1229 E1230Q1226-G1228 VanDerWaalsContact C-N 3.34Å; Q1226-G1228 PolarHBondContact O-N 2.94Å; Q1226-R1229 WeakPolarHBondContact O-CB 3.41Å; Q1226-R1229 PolarHBondContact O-N 2.97Å; Q1226-E1230 PolarHBondContact O-N 3.43Å
1227K85.6Confident92.1Very high171 Ų17166.3 Ų66.374%0.74332%0.317SS*.Hα-helixtrans-70.8-24173.6-167.5165.2-172.2164.50114.4T1225T1225-K1227 PolarHBondContact O-N 3.5Å; T1225-K1227 VanDerWaalsContact O-N 3.16Å
1228G91.9Very high92.1Very high21 Ų2157.3 Ų57.322%0.21628%0.283CS..Hα-helixtrans-78.6-18.6171.300000114.1T1225 Q1226 P1231T1225-G1228 CarbonylContact O-C 3.58Å; T1225-G1228 VanDerWaalsContact O-CA 3.27Å; T1225-G1228 WeakPolarHBondContact O-CA 3.43Å; T1225-G1228 PolarHBondContact O-N 3.11Å; T1225-G1228 PolarHBondContact OG1-N 2.95Å; Q1226-G1228 VanDerWaalsContact C-N 3.34Å; Q1226-G1228 PolarHBondContact O-N 2.94Å; G1228-P1231 WeakPolarHBondContact O-CD 3.2Å
1229R93.4Very high92.1Very high70 Ų7058.1 Ų58.126%0.26429%0.287SS..Hα-helixtrans-78.3-32.7173.7-65.2172.3-172.3-157.30.5112.2W1221 L1224 T1225 Q1226 P1231 F1232 I1233W1221-R1229 HydrophobicContact CD2-CG 4.11Å; W1221-R1229 HydrophobicContact CE3-CB 4.32Å; W1221-R1229 HydrophobicContact CE3-CG 3.92Å; W1221-R1229 HydrophobicContact CH2-CB 3.58Å; W1221-R1229 HydrophobicContact CH2-CG 3.74Å; W1221-R1229 HydrophobicContact CZ2-CB 4.16Å; W1221-R1229 HydrophobicContact CZ2-CG 3.89Å; W1221-R1229 HydrophobicContact CZ3-CB 3.64Å; W1221-R1229 HydrophobicContact CZ3-CG 3.72Å; L1224-R1229 HydrophobicContact CB-CG 3.66Å; L1224-R1229 HydrophobicContact CD1-CG 4.3Å; L1224-R1229 PolarHBondContact O-NE 3.14Å; T1225-R1229 PolarHBondContact O-N 3.33Å; Q1226-R1229 WeakPolarHBondContact O-CB 3.41Å; Q1226-R1229 PolarHBondContact O-N 2.97Å; R1229-P1231 VanDerWaalsContact C-CD 3.44Å; R1229-P1231 VanDerWaalsContact C-N 3.35Å; R1229-P1231 VanDerWaalsContact O-N 3.16Å; R1229-F1232 WeakPolarHBondContact O-CB 3.45Å; R1229-F1232 PolarHBondContact O-N 3.38Å; R1229-I1233 HydrophobicContact CB-CD1 4.11Å; R1229-I1233 PolarHBondContact O-N 2.84Å; R1229-I1233 VanDerWaalsContact O-N 3.08Å
1230E92.6Very high91.9Very high64 Ų6455.1 Ų55.130%0.29928%0.277SS..Hα-helixtrans-44.5-46.8-178.1-157.6-161.5144.800114.5L1165 Q1226 F1232 I1233 R1234L1165-E1230 HydrophobicContact CD1-CG 3.51Å; Q1226-E1230 PolarHBondContact O-N 3.43Å; E1230-F1232 PolarHBondContact O-N 2.85Å; E1230-I1233 PolarHBondContact O-N 3.1Å; E1230-R1234 WeakPolarHBondContact O-CG 3.35Å; E1230-R1234 PolarHBondContact O-N 3.32Å; E1230-R1234 IonicContact OE1-CZ 3.35Å; E1230-R1234 VanDerWaalsContact OE1-CZ 3.23Å; E1230-R1234 IonicContact OE1-NE 3.37Å; E1230-R1234 PolarHBondContact OE1-NE 3.04Å; E1230-R1234 IonicContact OE1-NH2 3.06Å; E1230-R1234 PolarHBondContact OE1-NH2 3.14Å
1231P94.4Very high91.6Very high19 Ų1954.6 Ų54.612%0.12327%0.27CS..Hα-helixtrans-65.9-34.6179-2135.6000113.2L1204 L1206 L1214 G1228 R1229 M1235L1204-P1231 HydrophobicContact CD2-CB 4.45Å; L1204-P1231 VanDerWaalsContact CD2-O 3.28Å; L1204-P1231 WeakPolarHBondContact CD2-O 3.05Å; L1206-P1231 HydrophobicContact CD1-CB 4.1Å; L1206-P1231 HydrophobicContact CD1-CG 4.14Å; L1214-P1231 HydrophobicContact CD2-CB 3.69Å; G1228-P1231 WeakPolarHBondContact O-CD 3.2Å; R1229-P1231 VanDerWaalsContact C-CD 3.44Å; R1229-P1231 VanDerWaalsContact C-N 3.35Å; R1229-P1231 VanDerWaalsContact O-N 3.16Å; P1231-M1235 WeakPolarHBondContact O-CB 3.35Å; P1231-M1235 PolarHBondContact O-N 2.93Å
1232F95.8Very high90.8Very high0 Ų058 Ų580%029%0.294CS..Hα-helixtrans-72.3-34.3177-68.9-84.4000111.9T1178 L1214 P1218 W1221 L1224 R1229 E1230 M1235 Q1236T1178-F1232 HydrophobicContact CG2-CD1 3.86Å; T1178-F1232 HydrophobicContact CG2-CD2 4.16Å; T1178-F1232 HydrophobicContact CG2-CE1 3.94Å; T1178-F1232 HydrophobicContact CG2-CE2 4.21Å; T1178-F1232 HydrophobicContact CG2-CG 3.99Å; T1178-F1232 HydrophobicContact CG2-CZ 4.11Å; T1178-F1232 WeakPolarHBondContact O-CE1 3.43Å; L1214-F1232 HydrophobicContact CD1-CD2 4.33Å; L1214-F1232 HydrophobicContact CD1-CE1 4.42Å; L1214-F1232 HydrophobicContact CD1-CE2 3.48Å; L1214-F1232 VanDerWaalsContact CD1-CE2 3.48Å; L1214-F1232 HydrophobicContact CD1-CZ 3.53Å; L1214-F1232 HydrophobicContact CG-CE2 4.49Å; L1214-F1232 HydrophobicContact CG-CZ 4.2Å; P1218-F1232 HydrophobicContact CB-CE1 3.8Å; P1218-F1232 HydrophobicContact CB-CZ 3.73Å; W1221-F1232 HydrophobicContact CZ3-CB 4.1Å; L1224-F1232 HydrophobicContact CD1-CD2 3.46Å; L1224-F1232 VanDerWaalsContact CD1-CD2 3.46Å; L1224-F1232 HydrophobicContact CD1-CE2 3.48Å; L1224-F1232 VanDerWaalsContact CD1-CE2 3.48Å; L1224-F1232 HydrophobicContact CD1-CG 4.41Å; L1224-F1232 HydrophobicContact CD1-CZ 4.46Å; L1224-F1232 HydrophobicContact CD2-CE2 4.24Å; R1229-F1232 WeakPolarHBondContact O-CB 3.45Å; R1229-F1232 PolarHBondContact O-N 3.38Å; E1230-F1232 PolarHBondContact O-N 2.85Å; F1232-M1235 HydrophobicContact CD1-CE 3.43Å; F1232-M1235 VanDerWaalsContact CD1-CE 3.43Å; F1232-M1235 HydrophobicContact CE1-CE 3.74Å; F1232-M1235 HydrophobicContact CG-CE 4.3Å; F1232-M1235 PolarHBondContact O-N 3.36Å; F1232-Q1236 PolarHBondContact O-N 2.92Å
1233I93.7Very high90.4Very high1 Ų154 Ų541%0.00528%0.28CS..Hα-helixtrans-67.8-47.5175-59.4162000110.4L1165 D1169 I1170 Y1173 L1176 W1221 R1229 E1230 M1235 Q1236 L1237L1165-I1233 HydrophobicContact CD1-CB 4.09Å; L1165-I1233 HydrophobicContact CD1-CG2 3.98Å; L1165-I1233 HydrophobicContact CD2-CG2 3.68Å; D1169-I1233 HydrophobicContact CB-CG2 4.42Å; I1170-I1233 HydrophobicContact CB-CD1 4.45Å; I1170-I1233 HydrophobicContact CG1-CD1 4.21Å; I1170-I1233 HydrophobicContact CG2-CD1 4.37Å; Y1173-I1233 HydrophobicContact CD2-CG2 3.81Å; L1176-I1233 HydrophobicContact CD1-CG1 4.3Å; W1221-I1233 HydrophobicContact CH2-CD1 4.09Å; W1221-I1233 HydrophobicContact CH2-CG1 3.84Å; W1221-I1233 HydrophobicContact CZ3-CG1 4.37Å; R1229-I1233 HydrophobicContact CB-CD1 4.11Å; R1229-I1233 PolarHBondContact O-N 2.84Å; R1229-I1233 VanDerWaalsContact O-N 3.08Å; E1230-I1233 PolarHBondContact O-N 3.1Å; I1233-M1235 PolarHBondContact O-N 3.02Å; I1233-Q1236 PolarHBondContact O-N 2.85Å; I1233-Q1236 VanDerWaalsContact O-N 3.14Å; I1233-L1237 PolarHBondContact O-N 2.95Å
1234R93.7Very high90Very high27 Ų2749.1 Ų49.110%0.10225%0.253CS..Hα-helixtrans-56.8-40.7171.7-70.4-179.3-177.1-80.9-0.6111.6L1162 P1163 L1165 L1204 E1230 L1237 F1238L1162-R1234 HydrophobicContact CD1-CB 3.84Å; L1162-R1234 HydrophobicContact CD1-CG 4.26Å; L1162-R1234 VanDerWaalsContact CD1-O 3.25Å; L1162-R1234 WeakPolarHBondContact CD1-O 3.41Å; P1163-R1234 PolarHBondContact O-NH1 2.83Å; L1165-R1234 HydrophobicContact CD1-CG 3.8Å; L1165-R1234 HydrophobicContact CG-CG 4.16Å; L1204-R1234 HydrophobicContact CD2-CB 3.67Å; E1230-R1234 WeakPolarHBondContact O-CG 3.35Å; E1230-R1234 PolarHBondContact O-N 3.32Å; E1230-R1234 IonicContact OE1-CZ 3.35Å; E1230-R1234 VanDerWaalsContact OE1-CZ 3.23Å; E1230-R1234 IonicContact OE1-NE 3.37Å; E1230-R1234 PolarHBondContact OE1-NE 3.04Å; E1230-R1234 IonicContact OE1-NH2 3.06Å; E1230-R1234 PolarHBondContact OE1-NH2 3.14Å; R1234-L1237 PolarHBondContact O-N 3.02Å; R1234-F1238 PolarHBondContact O-N 3.22Å
1235M94.5Very high89.6Confident0 Ų048.7 Ų48.70%025%0.251CS..Hα-helixtrans-66.4-39.1177-165.6158.261.600112I1181 A1182 T1185 F1199 L1204 L1215 P1231 F1232 I1233 F1238 L1239I1181-M1235 HydrophobicContact CB-CE 4.33Å; I1181-M1235 HydrophobicContact CG2-CB 3.98Å; I1181-M1235 HydrophobicContact CG2-CE 3.69Å; I1181-M1235 HydrophobicContact CG2-CG 3.73Å; I1181-M1235 HydrophobicContact CG2-SD 4.41Å; A1182-M1235 HydrophobicContact CB-CE 4.3Å; T1185-M1235 HydrophobicContact CG2-CG 3.84Å; T1185-M1235 HydrophobicContact CG2-SD 3.71Å; T1185-M1235 WeakPolarHBondContact OG1-CG 3.41Å; T1185-M1235 PolarHBondContact OG1-SD 3.31Å; T1185-M1235 VanDerWaalsContact OG1-SD 3.41Å; F1199-M1235 HydrophobicContact CE1-SD 4.36Å; F1199-M1235 HydrophobicContact CZ-CG 4.09Å; F1199-M1235 HydrophobicContact CZ-SD 4.35Å; L1204-M1235 HydrophobicContact CD2-CB 4.33Å; L1215-M1235 HydrophobicContact CD2-CE 4.27Å; L1215-M1235 HydrophobicContact CD2-SD 3.64Å; P1231-M1235 WeakPolarHBondContact O-CB 3.35Å; P1231-M1235 PolarHBondContact O-N 2.93Å; F1232-M1235 HydrophobicContact CD1-CE 3.43Å; F1232-M1235 VanDerWaalsContact CD1-CE 3.43Å; F1232-M1235 HydrophobicContact CE1-CE 3.74Å; F1232-M1235 HydrophobicContact CG-CE 4.3Å; F1232-M1235 PolarHBondContact O-N 3.36Å; I1233-M1235 PolarHBondContact O-N 3.02Å; M1235-F1238 WeakPolarHBondContact O-CB 3.16Å; M1235-F1238 PolarHBondContact O-N 3.38Å; M1235-L1239 WeakPolarHBondContact O-CG 3.34Å; M1235-L1239 PolarHBondContact O-N 2.95Å
1236Q93.5Very high89.2Confident23 Ų2347.7 Ų47.711%0.10724%0.241CC..Hα-helixtrans-64.9-43.6173.1-170.264.33800112.2Y1173 L1176 I1181 F1232 I1233 F1238 L1239 N1240Y1173-Q1236 HydrophobicContact CD1-CG 4.14Å; Y1173-Q1236 HydrophobicContact CE1-CG 3.91Å; L1176-Q1236 HydrophobicContact CD1-CB 4.33Å; L1176-Q1236 HydrophobicContact CD2-CG 4.38Å; I1181-Q1236 VanDerWaalsContact CG1-OE1 3.24Å; F1232-Q1236 PolarHBondContact O-N 2.92Å; I1233-Q1236 PolarHBondContact O-N 2.85Å; I1233-Q1236 VanDerWaalsContact O-N 3.14Å; Q1236-F1238 VanDerWaalsContact C-N 3.26Å; Q1236-F1238 PolarHBondContact O-N 2.87Å; Q1236-L1239 PolarHBondContact O-N 3.08Å; Q1236-L1239 VanDerWaalsContact O-N 3.16Å; Q1236-N1240 PolarHBondContact NE2-OD1 3.31Å; Q1236-N1240 WeakPolarHBondContact O-CB 3.48Å; Q1236-N1240 PolarHBondContact O-N 3.14Å; Q1236-N1240 PolarHBondContact O-OD1 2.88Å
1237L91.1Very high89Confident24 Ų2446.2 Ų46.213%0.12623%0.233CC..Hα-helixtrans-63.1-31.4175.1-71.6178.9000112.9L1162 L1165 Y1173 I1233 R1234 N1241 H1244L1162-L1237 HydrophobicContact CD1-CB 4.34Å; L1165-L1237 HydrophobicContact CD2-CD1 3.42Å; L1165-L1237 VanDerWaalsContact CD2-CD1 3.42Å; Y1173-L1237 HydrophobicContact CE2-CD2 3.77Å; Y1173-L1237 HydrophobicContact CE2-CG 4.24Å; I1233-L1237 PolarHBondContact O-N 2.95Å; R1234-L1237 PolarHBondContact O-N 3.02Å; L1237-N1241 PolarHBondContact O-ND2 3.22Å; L1237-H1244 PolarHBondContact O-CE1 3.44Å; L1237-H1244 PolarHBondContact O-ND1 3.06Å
1238F92.5Very high88.9Confident1 Ų138.1 Ų38.10%0.00420%0.197CC..Hα-helixtrans-68.9-44.9170.2172-94.9000112.2I1188 F1199 I1203 R1234 M1235 Q1236 N1240 H1244 I1245 L1248I1188-F1238 HydrophobicContact CG2-CE1 3.96Å; I1188-F1238 HydrophobicContact CG2-CZ 4.12Å; F1199-F1238 HydrophobicContact CD2-CE1 4.36Å; F1199-F1238 HydrophobicContact CD2-CE2 4.34Å; F1199-F1238 HydrophobicContact CD2-CZ 4.25Å; F1199-F1238 HydrophobicContact CE2-CB 4.45Å; F1199-F1238 AromaticContact CE2-CD1 3.66Å; F1199-F1238 HydrophobicContact CE2-CD1 3.66Å; F1199-F1238 HydrophobicContact CE2-CD2 4.04Å; F1199-F1238 AromaticContact CE2-CE1 3.81Å; F1199-F1238 HydrophobicContact CE2-CE1 3.81Å; F1199-F1238 HydrophobicContact CE2-CE2 4.19Å; F1199-F1238 AromaticContact CE2-CG 3.78Å; F1199-F1238 HydrophobicContact CE2-CG 3.78Å; F1199-F1238 HydrophobicContact CE2-CZ 4.08Å; F1199-F1238 HydrophobicContact CZ-CD1 4.32Å; I1203-F1238 HydrophobicContact CD1-CD2 3.81Å; I1203-F1238 HydrophobicContact CD1-CE2 4.31Å; I1203-F1238 HydrophobicContact CG1-CD2 3.89Å; I1203-F1238 HydrophobicContact CG1-CE2 4.24Å; I1203-F1238 HydrophobicContact CG2-CB 3.88Å; I1203-F1238 HydrophobicContact CG2-CD2 4.21Å; I1203-F1238 HydrophobicContact CG2-CG 4.21Å; R1234-F1238 PolarHBondContact O-N 3.22Å; M1235-F1238 WeakPolarHBondContact O-CB 3.16Å; M1235-F1238 PolarHBondContact O-N 3.38Å; Q1236-F1238 VanDerWaalsContact C-N 3.26Å; Q1236-F1238 PolarHBondContact O-N 2.87Å; F1238-N1240 VanDerWaalsContact C-N 3.32Å; F1238-N1240 PolarHBondContact O-N 3.38Å; F1238-H1244 HydrophobicContact CD2-CB 3.74Å; F1238-H1244 HydrophobicContact CE2-CB 4.29Å; F1238-I1245 HydrophobicContact CE2-CG1 4.15Å; F1238-I1245 HydrophobicContact CZ-CG1 3.93Å; F1238-L1248 HydrophobicContact CE2-CD2 3.83Å; F1238-L1248 HydrophobicContact CZ-CD2 4.29Å
1239L92.2Very high88.2Confident30 Ų3040.4 Ų40.416%0.15720%0.204CC..Hα-helixtrans-65.4-32.9176.7-68.1-178.7000113.2I1181 R1184 I1188 M1235 Q1236 N1241I1181-L1239 HydrophobicContact CB-CD1 4.46Å; I1181-L1239 HydrophobicContact CG2-CD1 3.86Å; R1184-L1239 HydrophobicContact CB-CD1 3.65Å; R1184-L1239 HydrophobicContact CB-CD2 4.05Å; R1184-L1239 HydrophobicContact CG-CD1 4.49Å; I1188-L1239 HydrophobicContact CD1-CD2 3.66Å; I1188-L1239 HydrophobicContact CG1-CD2 4.44Å; M1235-L1239 WeakPolarHBondContact O-CG 3.34Å; M1235-L1239 PolarHBondContact O-N 2.95Å; Q1236-L1239 PolarHBondContact O-N 3.08Å; Q1236-L1239 VanDerWaalsContact O-N 3.16Å; L1239-N1241 PolarHBondContact O-N 3.15Å
1240N90.2Very high87.3Confident73 Ų7342.5 Ų42.539%0.3922%0.217SC..THydrogen-bonded Turntrans-76.3-16.5-175.4-74.1-1.6000114.2Y1173 Q1236 F1238Y1173-N1240 PolarHBondContact OH-ND2 3.2Å; Q1236-N1240 PolarHBondContact NE2-OD1 3.31Å; Q1236-N1240 WeakPolarHBondContact O-CB 3.48Å; Q1236-N1240 PolarHBondContact O-N 3.14Å; Q1236-N1240 PolarHBondContact O-OD1 2.88Å; F1238-N1240 VanDerWaalsContact C-N 3.32Å; F1238-N1240 PolarHBondContact O-N 3.38Å
1241N85.1Confident86.1Confident66 Ų6640.7 Ų40.735%0.35321%0.212SC..  trans-133.2110.8-175.3-54.8-88.7000110.4L1237 L1239 D1243 H1244L1237-N1241 PolarHBondContact O-ND2 3.22Å; L1239-N1241 PolarHBondContact O-N 3.15Å; N1241-D1243 PolarHBondContact O-N 3.47Å; N1241-H1244 PolarHBondContact O-N 3.4Å; N1241-H1244 VanDerWaalsContact O-N 3.14Å
1242P77Confident84.4Confident86 Ų8641.3 Ų41.356%0.55822%0.216SC*.THydrogen-bonded Turntrans-62.8-27-177.226.3-34.4000112.8H1244 I1245 I1246P1242-H1244 PolarHBondContact O-N 3.05Å; P1242-H1244 VanDerWaalsContact O-N 3.15Å; P1242-I1245 WeakPolarHBondContact O-CA 3.34Å; P1242-I1245 WeakPolarHBondContact O-CB 3.34Å; P1242-I1245 WeakPolarHBondContact O-CG1 3.38Å; P1242-I1245 PolarHBondContact O-N 3.19Å; P1242-I1246 PolarHBondContact O-N 2.96Å
1243D82.4Confident82Confident73 Ų7345.6 Ų45.639%0.3925%0.246SC..Hα-helixtrans-59.6-26.5177.3-52.3-17.3000113N1241 I1245 I1246 K1247N1241-D1243 PolarHBondContact O-N 3.47Å; D1243-I1245 PolarHBondContact O-N 2.88Å; D1243-I1246 PolarHBondContact O-N 3.44Å; D1243-K1247 WeakPolarHBondContact O-CB 3.37Å; D1243-K1247 WeakPolarHBondContact O-CG 3.49Å; D1243-K1247 PolarHBondContact O-N 3.15Å
1244H83.1Confident79.4Confident28 Ų2849.6 Ų49.613%0.1327%0.273CS..Hα-helixtrans-67.5-24.5173.9-64.8148.8000112.2L1162 L1237 F1238 N1241 P1242 L1248L1162-H1244 WeakPolarHBondContact CD2-CE1 3.01Å; L1162-H1244 WeakPolarHBondContact CD2-ND1 3.27Å; L1237-H1244 PolarHBondContact O-CE1 3.44Å; L1237-H1244 PolarHBondContact O-ND1 3.06Å; F1238-H1244 HydrophobicContact CD2-CB 3.74Å; F1238-H1244 HydrophobicContact CE2-CB 4.29Å; N1241-H1244 PolarHBondContact O-N 3.4Å; N1241-H1244 VanDerWaalsContact O-N 3.14Å; P1242-H1244 PolarHBondContact O-N 3.05Å; P1242-H1244 VanDerWaalsContact O-N 3.15Å; H1244-L1248 WeakPolarHBondContact O-CB 3.48Å; H1244-L1248 PolarHBondContact O-N 3.12Å; H1244-L1248 VanDerWaalsContact O-N 3.08Å
1245I83.6Confident77Confident11 Ų1152.5 Ų52.56%0.05629%0.288CS..Hα-helixtrans-72.3-44.4171.3-49.1172.3000109.5I1188 Y1192 I1194 F1238 P1242 D1243 L1248 L1249I1188-I1245 HydrophobicContact CD1-CD1 4.33Å; I1188-I1245 HydrophobicContact CG2-CD1 3.71Å; I1188-I1245 HydrophobicContact CG2-CG1 4.14Å; Y1192-I1245 HydrophobicContact CD1-CG2 3.85Å; Y1192-I1245 HydrophobicContact CD2-CD1 4.39Å; Y1192-I1245 HydrophobicContact CD2-CG2 3.85Å; Y1192-I1245 HydrophobicContact CE1-CG2 4.17Å; Y1192-I1245 HydrophobicContact CE2-CD1 3.93Å; Y1192-I1245 HydrophobicContact CE2-CG2 4.18Å; Y1192-I1245 HydrophobicContact CG-CG2 3.68Å; I1194-I1245 HydrophobicContact CD1-CG2 3.78Å; F1238-I1245 HydrophobicContact CE2-CG1 4.15Å; F1238-I1245 HydrophobicContact CZ-CG1 3.93Å; P1242-I1245 WeakPolarHBondContact O-CA 3.34Å; P1242-I1245 WeakPolarHBondContact O-CB 3.34Å; P1242-I1245 WeakPolarHBondContact O-CG1 3.38Å; P1242-I1245 PolarHBondContact O-N 3.19Å; D1243-I1245 PolarHBondContact O-N 2.88Å; I1245-L1248 PolarHBondContact O-N 2.76Å; I1245-L1249 HydrophobicContact CG2-CD1 4.13Å; I1245-L1249 WeakPolarHBondContact O-CB 3.35Å; I1245-L1249 WeakPolarHBondContact O-CG 3.35Å; I1245-L1249 PolarHBondContact O-N 3.41Å
1246I81.6Confident74Confident83 Ų8355 Ų5543%0.42631%0.305SS..Hα-helixtrans-65.1-51179.1-57.7176000110.8P1242 D1243 L1248 L1249 Q1250P1242-I1246 PolarHBondContact O-N 2.96Å; D1243-I1246 PolarHBondContact O-N 3.44Å; I1246-L1248 VanDerWaalsContact C-N 3.26Å; I1246-L1248 PolarHBondContact O-N 3.46Å; I1246-L1249 WeakPolarHBondContact O-CB 3.48Å; I1246-L1249 PolarHBondContact O-N 3.06Å; I1246-L1249 VanDerWaalsContact O-N 3.13Å; I1246-Q1250 WeakPolarHBondContact O-CG 3.35Å; I1246-Q1250 PolarHBondContact O-N 3.03Å
1247K81.9Confident70.9Confident100 Ų10056 Ų5644%0.43532%0.321SS..Hα-helixtrans-59.9-35.8175.8-70.7171.5179.8171.30112V1161 D1243 S1251V1161-K1247 HydrophobicContact CG1-CB 3.88Å; D1243-K1247 WeakPolarHBondContact O-CB 3.37Å; D1243-K1247 WeakPolarHBondContact O-CG 3.49Å; D1243-K1247 PolarHBondContact O-N 3.15Å; K1247-S1251 VanDerWaalsContact O-CB 3.24Å; K1247-S1251 WeakPolarHBondContact O-CB 3.46Å; K1247-S1251 PolarHBondContact O-N 3.45Å; K1247-S1251 PolarHBondContact O-OG 3.16Å
1248L82Confident68Low0 Ų060.2 Ų60.20%034%0.343CS..Hα-helixtrans-68.5-44.1174.1-177.857.2000111.6I1194 F1199 Y1202 I1203 F1238 H1244 I1245 I1246 S1251 C1252I1194-L1248 HydrophobicContact CD1-CD2 4.16Å; I1194-L1248 HydrophobicContact CD1-CG 4.46Å; I1194-L1248 HydrophobicContact CG2-CD2 3.73Å; I1194-L1248 HydrophobicContact CG2-CG 4.16Å; F1199-L1248 HydrophobicContact CD2-CD2 4.1Å; Y1202-L1248 VanDerWaalsContact CB-CD1 3.46Å; Y1202-L1248 HydrophobicContact CD2-CD1 4.37Å; Y1202-L1248 HydrophobicContact CG-CD1 4.11Å; I1203-L1248 HydrophobicContact CD1-CD2 4.36Å; I1203-L1248 HydrophobicContact CG1-CD1 4.37Å; I1203-L1248 HydrophobicContact CG1-CD2 3.87Å; F1238-L1248 HydrophobicContact CE2-CD2 3.83Å; F1238-L1248 HydrophobicContact CZ-CD2 4.29Å; H1244-L1248 WeakPolarHBondContact O-CB 3.48Å; H1244-L1248 PolarHBondContact O-N 3.12Å; H1244-L1248 VanDerWaalsContact O-N 3.08Å; I1245-L1248 PolarHBondContact O-N 2.76Å; I1246-L1248 VanDerWaalsContact C-N 3.26Å; I1246-L1248 PolarHBondContact O-N 3.46Å; L1248-S1251 WeakPolarHBondContact O-CB 3.41Å; L1248-S1251 PolarHBondContact O-N 2.78Å; L1248-C1252 PolarHBondContact O-N 2.92Å; L1248-C1252 PolarHBondContact O-SG 3.47Å
1249L77.9Confident64.9Low70 Ų7063.5 Ų63.537%0.36636%0.36SS..Hα-helixtrans-59.9-47.8175.1-76.5161.8000111.7Y1192 I1194 I1245 I1246 S1251 C1252 S1253Y1192-L1249 HydrophobicContact CD1-CD1 4.24Å; I1194-L1249 HydrophobicContact CD1-CD2 4.26Å; I1194-L1249 HydrophobicContact CD1-CG 4.11Å; I1194-L1249 HydrophobicContact CG1-CD2 4.02Å; I1194-L1249 HydrophobicContact CG1-CG 4.42Å; I1245-L1249 HydrophobicContact CG2-CD1 4.13Å; I1245-L1249 WeakPolarHBondContact O-CB 3.35Å; I1245-L1249 WeakPolarHBondContact O-CG 3.35Å; I1245-L1249 PolarHBondContact O-N 3.41Å; I1246-L1249 WeakPolarHBondContact O-CB 3.48Å; I1246-L1249 PolarHBondContact O-N 3.06Å; I1246-L1249 VanDerWaalsContact O-N 3.13Å; L1249-S1251 PolarHBondContact O-N 2.95Å; L1249-C1252 WeakPolarHBondContact O-CB 3.37Å; L1249-C1252 PolarHBondContact O-N 3.44Å; L1249-C1252 VanDerWaalsContact O-N 3.1Å; L1249-S1253 PolarHBondContact O-N 2.91Å; L1249-S1253 PolarHBondContact O-OG 3.31Å
1250Q74.1Confident62Low113 Ų11369.7 Ų69.753%0.52839%0.388SS..Hα-helixtrans-56.8-47.5173.1-70.2167.3-24.400111.4I1246 C1252 S1253 C1254I1246-Q1250 WeakPolarHBondContact O-CG 3.35Å; I1246-Q1250 PolarHBondContact O-N 3.03Å; Q1250-C1252 PolarHBondContact O-N 2.89Å; Q1250-S1253 WeakPolarHBondContact O-CB 3.48Å; Q1250-S1253 PolarHBondContact O-N 2.89Å; Q1250-C1254 PolarHBondContact O-N 2.95Å; Q1250-C1254 PolarHBondContact O-SG 3.19Å; Q1250-C1254 VanDerWaalsContact O-SG 3.36Å
1251S68.4Low59Low27 Ų2771 Ų7119%0.18940%0.403CS..Hα-helixtrans-61.3-24.8177.1-62.80000113.8Y1202 K1247 L1248 L1249Y1202-S1251 PolarHBondContact OH-O 2.88Å; K1247-S1251 VanDerWaalsContact O-CB 3.24Å; K1247-S1251 WeakPolarHBondContact O-CB 3.46Å; K1247-S1251 PolarHBondContact O-N 3.45Å; K1247-S1251 PolarHBondContact O-OG 3.16Å; L1248-S1251 WeakPolarHBondContact O-CB 3.41Å; L1248-S1251 PolarHBondContact O-N 2.78Å; L1249-S1251 PolarHBondContact O-N 2.95Å
1252C58.6Low56.2Low31 Ų3175.4 Ų75.421%0.20943%0.426CS..Hα-helixtrans-73.6-40.5173.9-63.60000111.7L1198 L1248 L1249 Q1250 C1254 Q1255L1198-C1252 HydrophobicContact CD1-CB 4.24Å; L1198-C1252 VanDerWaalsContact CD1-SG 3.55Å; L1198-C1252 HydrophobicContact CD2-CB 4.48Å; L1248-C1252 PolarHBondContact O-N 2.92Å; L1248-C1252 PolarHBondContact O-SG 3.47Å; L1249-C1252 WeakPolarHBondContact O-CB 3.37Å; L1249-C1252 PolarHBondContact O-N 3.44Å; L1249-C1252 VanDerWaalsContact O-N 3.1Å; Q1250-C1252 PolarHBondContact O-N 2.89Å; C1252-C1254 PolarHBondContact O-N 3.47Å; C1252-Q1255 WeakPolarHBondContact O-CB 3.45Å; C1252-Q1255 PolarHBondContact O-N 3.32Å
1253S46Very low54Low90 Ų9079.9 Ų79.963%0.62944%0.439SS*.Hα-helixtrans-58.6-47.1177.2-54.70000111.6L1249 Q1250 Q1255 S1256L1249-S1253 PolarHBondContact O-N 2.91Å; L1249-S1253 PolarHBondContact O-OG 3.31Å; Q1250-S1253 WeakPolarHBondContact O-CB 3.48Å; Q1250-S1253 PolarHBondContact O-N 2.89Å; S1253-Q1255 PolarHBondContact O-N 3.27Å; S1253-S1256 PolarHBondContact O-N 3.18Å
1254C38.6Very low51.2Low85 Ų8583.8 Ų83.857%0.57446%0.455SS*.THydrogen-bonded Turntrans-62.9-10.7-179.2-53.50000114.6Q1250 C1252Q1250-C1254 PolarHBondContact O-N 2.95Å; Q1250-C1254 PolarHBondContact O-SG 3.19Å; Q1250-C1254 VanDerWaalsContact O-SG 3.36Å; C1252-C1254 PolarHBondContact O-N 3.47Å
1255Q43.4Very low48.5Very low89 Ų8986.3 Ų86.342%0.41648%0.476SS..THydrogen-bonded Turntrans-80.8-15.3179.5-159.7101.612500113.1R1159 Y1202 C1252 S1253R1159-Q1255 VanDerWaalsContact NH1-NE2 3.16Å; Y1202-Q1255 PolarHBondContact OH-NE2 3.25Å; C1252-Q1255 WeakPolarHBondContact O-CB 3.45Å; C1252-Q1255 PolarHBondContact O-N 3.32Å; S1253-Q1255 PolarHBondContact O-N 3.27Å
1256S31.9Very low45.7Very low51 Ų5192.3 Ų92.336%0.35751%0.508SS..SBendtrans-102.183.9172.9-84.30000111.4S1253 R1414 D1418S1253-S1256 PolarHBondContact O-N 3.18Å; S1256-R1414 PolarHBondContact OG-NH2 2.98Å; S1256-D1418 WeakPolarHBondContact CB-OD2 3.23Å; S1256-D1418 PolarHBondContact OG-OD2 3.36Å
1257G27.3Very low43.3Very low44 Ų4495 Ų9545%0.45452%0.522SS..SBendtrans63.176.2154.400000117.8
1258I29.8Very low40.5Very low113 Ų11397.2 Ų97.258%0.57954%0.538SS*.  trans30.191.8158.2-35.8173000115.9F1475I1258-F1475 HydrophobicContact CB-CB 4.49Å; I1258-F1475 HydrophobicContact CB-CD1 3.83Å; I1258-F1475 HydrophobicContact CB-CE1 4.26Å; I1258-F1475 HydrophobicContact CB-CG 4.1Å; I1258-F1475 HydrophobicContact CD1-CD1 4.33Å; I1258-F1475 HydrophobicContact CG2-CD1 3.49Å; I1258-F1475 VanDerWaalsContact CG2-CD1 3.49Å; I1258-F1475 HydrophobicContact CG2-CE1 3.41Å; I1258-F1475 VanDerWaalsContact CG2-CE1 3.41Å; I1258-F1475 HydrophobicContact CG2-CG 4.15Å; I1258-F1475 HydrophobicContact CG2-CZ 4.02Å; I1258-F1475 WeakPolarHBondContact O-CD2 3.42Å; I1258-F1475 VanDerWaalsContact O-CG 3.26Å; I1258-F1475 WeakPolarHBondContact O-CG 3.34Å
1259I28Very low38Very low70 Ų70103.8 Ų103.836%0.35957%0.572SS.*  trans-137.9127.9134.9-73-151.8000107.5N1471 F1475I1259-N1471 HydrophobicContact CD1-CB 3.37Å; I1259-N1471 HydrophobicContact CG1-CB 4.26Å; I1259-F1475 HydrophobicContact CD1-CD2 4.28Å; I1259-F1475 HydrophobicContact CD1-CE2 4.18Å; I1259-F1475 HydrophobicContact CG1-CD2 3.79Å; I1259-F1475 HydrophobicContact CG1-CE2 3.73Å
1260H32.3Very low35.4Very low160 Ų160104.4 Ų104.474%0.74158%0.582SS**  trans-167.992.5138.2-97-66.4000106.4
1261S27.1Very low33.3Very low101 Ų101104.2 Ų104.271%0.70659%0.593SS**  trans-69.6144.4157.544.10000108.5H1263S1261-H1263 PolarHBondContact O-N 2.92Å
1262N25.5Very low31.4Very low159 Ų159109.7 Ų109.785%0.8562%0.621SS**  trans-63.5126.4-176.1-65.5-18.7000111.5
1263H30.4Very low29.9Very low179 Ų179116.5 Ų116.583%0.82965%0.653SS**  trans-137.3114.4138-117-62.5000108.1S1261S1261-H1263 PolarHBondContact O-N 2.92Å
1264Q25.1Very low29.1Very low156 Ų156116.7 Ų116.773%0.72965%0.654SS**  trans-80.7115.7168.7-177.872.128.300107.2D1266Q1264-D1266 PolarHBondContact NE2-OD1 3Å
1265S26.3Very low28.8Very low81 Ų81120 Ų12057%0.56666%0.663SS**  trans-157.5116.5167.2570000107.3I1267S1265-I1267 PolarHBondContact O-N 3.41Å
1266D24.5Very low27.9Very low136 Ų136124.5 Ų124.573%0.72769%0.685SS**  trans-74.8117.1-161.9-58-82.5000112.9Q1264Q1264-D1266 PolarHBondContact NE2-OD1 3Å
1267I29.9Very low27.9Very low140 Ų140129 Ų12972%0.71870%0.7SS**  trans-107.693.9172.3-64.3-179.1000108.5S1265 I1269S1265-I1267 PolarHBondContact O-N 3.41Å; I1267-I1269 HydrophobicContact CG2-CD1 3.66Å; I1267-I1269 HydrophobicContact CG2-CG1 3.86Å; I1267-I1269 PolarHBondContact O-N 3.38Å
1268N24.4Very low28.1Very low146 Ų146134 Ų13478%0.78171%0.711SS**  trans-79.5101.2177.5-174.37.2000110.2
1269I28.7Very low28Very low139 Ų139134.1 Ų134.171%0.71372%0.721SS**  trans-114.888.3172.9-63.9167.3000109.2I1267I1267-I1269 HydrophobicContact CG2-CD1 3.66Å; I1267-I1269 HydrophobicContact CG2-CG1 3.86Å; I1267-I1269 PolarHBondContact O-N 3.38Å
1270S24.1Very low28.3Very low82 Ų82138.8 Ų138.857%0.57375%0.745SS**  trans-120.7152.9156.5-75.30000108.5
1271S28.7Very low28.1Very low109 Ų109137.2 Ų137.276%0.76274%0.742SS**  trans55.7106.6-177.656.30000117.5
1272N28.9Very low28.4Very low142 Ų142140.1 Ų140.176%0.75974%0.744SS**  -165.2120.6109.4-111.8-34.1000113.5S1274N1272-S1274 PolarHBondContact OD1-O 2.9Å
1273I26.5Very low28.6Very low175 Ų175139.3 Ų139.390%0.89774%0.738SS**  trans-140.370.7160.8-56.5-176.2000107.6
1274S30.6Very low28.7Very low93 Ų93138.2 Ų138.265%0.6574%0.737SS**  trans177.1148.1162.3-100.80000106.5N1272N1272-S1274 PolarHBondContact OD1-O 2.9Å
1275M30.9Very low29Very low154 Ų154135.9 Ų135.976%0.75974%0.735SS**  cis-135.7166.8-5.4-118.1-168.275.500109.6Q1277M1275-Q1277 HydrophobicContact CE-CB 4.23Å
1276Q25.1Very low29.3Very low185 Ų185135.6 Ų135.686%0.86473%0.732SS**  trans-104.591.6169.4-179.5-180-2.100108.9
1277Q31.1Very low29.9Very low144 Ų144134.2 Ų134.267%0.67373%0.73SS**  trans-153.5151.7165.5-152.669.948.600109.8M1275M1275-Q1277 HydrophobicContact CE-CB 4.23Å
1278Q33Very low30.4Very low150 Ų150132.5 Ų132.570%0.70173%0.728SS**  trans-40.9132.2-177.2-69.6121.9-43.100114.1
1279C26Very low30.5Very low116 Ų116130.5 Ų130.578%0.78473%0.725SS**  6090.570.3-59.90000113.3
1280I34.5Very low30.7Very low167 Ų167129.7 Ų129.786%0.85673%0.727SS**  -176.7139.4118.5-93.3157.8000109.9
1281D27.9Very low30.9Very low127 Ų127129.6 Ų129.668%0.67972%0.723SS**  trans-65.9163.2174-49.4-97.1000112
1282Q34.8Very low30.9Very low162 Ų162129.6 Ų129.676%0.75772%0.719SS**  cis-139.8151.615.6-104.2123.552.900107.9
1283I29.3Very low30.8Very low142 Ų142126.3 Ų126.373%0.72870%0.704SS**  50.3108.281.4-48.8171.2000110.4
1284I33.5Very low30.9Very low157 Ų157121.1 Ų121.181%0.80568%0.68SS**  -147.5140.663.6-70.3173.1000112.6
1285P30.4Very low30.7Very low106 Ų106124.3 Ų124.369%0.68868%0.683SS**  trans-97.7-176166.1-931.1000114.2
1286P32.3Very low30.6Very low76 Ų76119 Ų11949%0.49467%0.668SS.*  cis-133.3-137.5-6.643.9-21.1000112.4
1287P37.8Very low31Very low106 Ų106116.3 Ų116.369%0.68866%0.66SS**  -135.4-130.7-129.435.2-4.3000116.5
1288P41.1Very low31Very low104 Ų104114.2 Ų114.268%0.67566%0.656SS**  -139.4179.5-92.644.2-26.9000119.5
1289S26.5Very low30.8Very low104 Ų104114 Ų11473%0.72766%0.659SS**  trans93.1120.7132.372.20000122.7
1290T30.8Very low30.9Very low122 Ų122113.3 Ų113.375%0.74866%0.656SS**  trans-179161.9141.321.10000109.3
1291T29Very low30.7Very low80 Ų80112.2 Ų112.249%0.49165%0.651SS.*  cis-166.2144-44.925.90000109.4K953K953-T1291 WeakPolarHBondContact CE-OG1 3.28Å; K953-T1291 PolarHBondContact NZ-OG1 2.96Å
1292T28.1Very low30.8Very low110 Ų110113.4 Ų113.468%0.67566%0.656SS**  trans65.7154.3150.752.90000118.4
1293T27.8Very low30.5Very low72 Ų72112.6 Ų112.644%0.44266%0.657SS.*  cis-167.2155.86.93.30000113.1L949L949-T1293 HydrophobicContact CB-CG2 4.42Å; L949-T1293 HydrophobicContact CD1-CG2 4.1Å; L949-T1293 HydrophobicContact CD2-CG2 4.23Å
1294T29Very low31.1Very low66 Ų66110.7 Ų110.741%0.40565%0.654SS.*  trans71.9149.2145.2-58.60000117.5L949L949-T1294 VanDerWaalsContact CB-OG1 3.32Å; L949-T1294 WeakPolarHBondContact CB-OG1 3.2Å
1295F26.4Very low30.8Very low160 Ų160108.6 Ų108.670%0.70265%0.653SS**  cis-151.7166.32.4-132.8-26.7000111.8A948A948-F1295 VanDerWaalsContact O-CE1 3.25Å; A948-F1295 WeakPolarHBondContact O-CE1 3.14Å
1296G28.9Very low30.5Very low43 Ų43108.3 Ų108.344%0.44365%0.653SS.*  trans74.4149.8154.700000119
1297N33.3Very low30.3Very low129 Ų129115.1 Ų115.169%0.6967%0.671SS**  cis-157.4149.3-7.8-110.2-0000112.7
1298T31.9Very low29.8Very low99 Ų99116.8 Ų116.861%0.60767%0.674SS**  trans56.3118.3148.556.10000125.1
1299L26.7Very low29.1Very low145 Ų145116.1 Ų116.176%0.75967%0.672SS**  84.6138.1125.5-69.8170000124.5
1300S30Very low29.1Very low102 Ų102119.6 Ų119.671%0.71368%0.677SS**  trans94.7109.8162.8-50.30000117.3
1301I29Very low28.8Very low145 Ų145119.6 Ų119.674%0.74468%0.676SS**  82.7123.756.2-68.9168.6000111.4
1302L29.4Very low28.5Very low152 Ų152124 Ų12480%0.79669%0.693SS**  cis-155.5154.1-0.5-124178.2000113.4
1303N30.2Very low28.9Very low145 Ų145128.9 Ų128.978%0.77570%0.701SS**  trans-167.1163.8158.4-148.23.4000106.2
1304P40.6Very low29.2Very low102 Ų102131.1 Ų131.166%0.66272%0.717SS**  cis-122.1-159.2-2642-26.1000111
1305S26.9Very low29Very low112 Ų112131.3 Ų131.378%0.78373%0.731SS**  trans-172.9122.7139.423.30000116.9
1306S24.7Very low29.1Very low100 Ų100132.3 Ų132.370%0.69974%0.738SS**  38155.5123.7-48.90000125.9
1307Y27.9Very low28.8Very low219 Ų219136.2 Ų136.286%0.85975%0.754SS**  trans80.2145.9171.9-63.2-82.5000116.6
1308D26.8Very low28.6Very low141 Ų141136 Ų13675%0.75475%0.751SS**  cis-133.3-152.25-158.84.7000113.9
1309S26.4Very low28.1Very low91 Ų91138 Ų13864%0.63676%0.758SS**  trans-127.3173.3-142.1-59.30000117.6
1310Q27.2Very low28.1Very low177 Ų177136.8 Ų136.883%0.82776%0.761SS**  trans99.4103.1152.8-51.2-158.517.900121.6
1311V24.5Very low27.8Very low122 Ų122137 Ų13774%0.73976%0.762SS**  25.9112.7124.4-162.70000119.6
1312M23.6Very low27.6Very low172 Ų172137.6 Ų137.685%0.84777%0.766SS**  178.7133.6114.4-94.6-57.3170.300113.9
1313Y34.9Very low27.5Very low213 Ų213140.4 Ų140.484%0.83577%0.772SS**  trans-109.2175.9158.1-103.4-103.8000107.1
1314P35.9Very low27.3Very low119 Ų119141 Ų14177%0.77377%0.77SS**  cis-143.3149.415.437.3-16000119.3
1315G24.7Very low27.2Very low69 Ų69141 Ų14171%0.71177%0.77SS**  83.2133.8110.700000123.1
1316Q26.7Very low27.1Very low181 Ų181143.6 Ų143.685%0.84677%0.774SS**  trans-165.8112.6135.7-103-179.11600109
1317T22.9Very low27.3Very low126 Ų126144.5 Ų144.577%0.77378%0.775SS**  53.8114.3102.463.30000116.9
1318I29.7Very low27.4Very low124 Ų124139.6 Ų139.664%0.63677%0.773SS**  trans-114.3133.7151.6-70.2178.9000107.9L839L839-I1318 HydrophobicContact CD1-CD1 4.17Å
1319D21.3Very low27.7Very low140 Ų140138.4 Ų138.475%0.74977%0.773SS**  trans-93.9150.3173.9-166.3-5.2000109.4
1320C26.6Very low27.7Very low121 Ų121139.4 Ų139.482%0.81878%0.78SS**  trans-151.2102.5177-95.50000111.2
1321S23Very low27.7Very low106 Ų106135 Ų13574%0.74178%0.782SS**  trans-145.3158.4161.4620000110.2
1322L25.5Very low28Very low157 Ų157133.5 Ų133.582%0.82278%0.777SS**  trans77.699.8175.6-156.977.6000117.4
1323F27.4Very low28.4Very low211 Ų211131.4 Ų131.493%0.92578%0.776SS**  -144.4141.6125.6-104.1-74.5000109
1324E26.6Very low28Very low157 Ų157127.2 Ų127.273%0.73477%0.773SS**  trans-154.5169.6178.8-123.4-166.2-146.700107.8
1325P38.5Very low27.9Very low103 Ų103126.5 Ų126.567%0.66977%0.768SS**  -127.7157.2-107.239-23.9000116.4
1326I24.5Very low28.1Very low167 Ų167130.6 Ų130.686%0.85677%0.774SS**  trans-159.2145166.728.4169.9000107.8
1327T29Very low28Very low119 Ų119126.4 Ų126.473%0.7376%0.764SS**  cis-132.8-173.41.264.50000111.1
1328S30.3Very low28.2Very low115 Ų115128.7 Ų128.780%0.80477%0.77SS**  trans-139.4151.9146.9-55.70000107.8
1329P33.3Very low28Very low117 Ų117130.2 Ų130.276%0.7678%0.775SS**  -143.9145.3122.336.6-23.4000115.7
1330S25.1Very low28.3Very low111 Ų111130.5 Ų130.578%0.77678%0.776SS**  trans16.7121.8145.6-163.10000120
1331G28.8Very low28.3Very low85 Ų85131.9 Ų131.988%0.87677%0.771SS**  trans-144.777.3161.200000110.9
1332S29.8Very low28.5Very low91 Ų91136.5 Ų136.564%0.63677%0.773SS**  trans-123.1139.4174.559.70000110.9
1333P32.5Very low28.4Very low128 Ų128133.9 Ų133.983%0.83177%0.768SS**  trans-118.6126.4143.633.8-25.7000111.4
1334T26.6Very low28.3Very low125 Ų125129.6 Ų129.677%0.76776%0.755SS**  trans-85-169.2160.948.60000109.2
1335P33.1Very low28.1Very low103 Ų103128 Ų12867%0.66975%0.747SS**  -125176.8-60.736.5-22.8000111.6
1336N28.4Very low27.5Very low155 Ų155128.7 Ų128.783%0.82975%0.746SS**  trans162125.9138.6-82.9-21.5000107.9
1337S24.5Very low27.6Very low93 Ų93128.2 Ų128.265%0.6574%0.74SS**  cis104.692.544.1-173.30000110.5
1338I28.5Very low27.7Very low174 Ų174130 Ų13089%0.89274%0.743SS**  trans-132.4135.9146.4-67.7-174.1000106
1339Q24.9Very low27.4Very low157 Ų157130.2 Ų130.273%0.73473%0.733SS**  trans-97.6151.1175.7-65.6168.9-101.600110.8
1340N27.8Very low27.2Very low146 Ų146131.8 Ų131.878%0.78173%0.734SS**  trans164.6121.5147-82.8-11.5000105.5
1341E26.7Very low27.5Very low150 Ų150131 Ų13170%0.70173%0.726SS**  56.8123.357.9-63.1-159.4155.400112.3
1342Y26Very low27.2Very low202 Ų202134.6 Ų134.679%0.79273%0.725SS**  cis-135.5173.914.8-109.4-79.5000113.8
1343S23.6Very low27.2Very low103 Ų103137 Ų13772%0.7273%0.731SS**  trans-65.7147.1-173-39.10000117.1
1344N25.4Very low26.9Very low120 Ų120138 Ų13864%0.64273%0.729SS**  -161.5168.4118-122.7-41.7000113.2
1345E23Very low27Very low123 Ų123138 Ų13858%0.57572%0.724SS**  trans-82.8148.5-167.3-34.7131.9124.300113.6R1820E1345-R1820 VanDerWaalsContact O-CZ 3.3Å; E1345-R1820 PolarHBondContact O-NH1 3Å; E1345-R1820 PolarHBondContact O-NH2 2.93Å; E1345-R1820 IonicContact OE2-CZ 3.77Å; E1345-R1820 IonicContact OE2-NH1 2.71Å; E1345-R1820 PolarHBondContact OE2-NH1 3Å
1346N26.6Very low26.8Very low119 Ų119139 Ų13964%0.63673%0.734SS**  -175.3122.2120.6-98.224.3000112.3R1820N1346-R1820 PolarHBondContact OD1-NH1 2.75Å; N1346-R1820 VanDerWaalsContact OD1-NH1 3.08Å; N1346-R1820 PolarHBondContact OD1-NH2 2.84Å
1347E25.2Very low26.9Very low156 Ų156136 Ų13673%0.72972%0.718SS**  12.7118.3129.9-173.1168-13100118.7M1349E1347-M1349 HydrophobicContact CG-CB 4.05Å
1348I31.2Very low27.1Very low157 Ų157137.1 Ų137.181%0.80573%0.725SS**  trans-104.490.6150.8-60.4-179.5000107.7L1350I1348-L1350 HydrophobicContact CG2-CD1 4.11Å; I1348-L1350 HydrophobicContact CG2-CG 4.02Å
1349M24.8Very low27.3Very low120 Ų120132.2 Ų132.259%0.59171%0.706SS**  trans-94.1134.4154-174.1177.266.600107.8E1347E1347-M1349 HydrophobicContact CG-CB 4.05Å
1350L29Very low27.5Very low149 Ų149130.5 Ų130.578%0.7870%0.702SS**  trans-119.1135.8176-83.2170.9000109.6I1348I1348-L1350 HydrophobicContact CG2-CD1 4.11Å; I1348-L1350 HydrophobicContact CG2-CG 4.02Å
1351P30.8Very low27.7Very low95 Ų95129.3 Ų129.362%0.61770%0.696SS**  -125.2153.4-84.536.6-30.7000113.4
1352L23.4Very low27.8Very low161 Ų161126.4 Ų126.484%0.84369%0.685SS**  trans-79124.9152.7-86.275.9000108.2
1353N29.4Very low28.1Very low142 Ų142120.7 Ų120.776%0.75967%0.668SS**  trans-113117.7162.9178.121.3000108.4
1354N26.1Very low28.3Very low148 Ų148120.5 Ų120.579%0.79166%0.659SS**  trans-168.2109.9155.1-104.6-11.5000109.3
1355N28.3Very low28.5Very low125 Ų125120.3 Ų120.367%0.66866%0.658SS**  -173.6138.1112.5-97.6-1.5000112.4
1356S29.8Very low28.7Very low125 Ų125120.7 Ų120.787%0.87466%0.664SS**  trans-148.6120.2148.2-76.70000105.8
1357N29.1Very low28.9Very low92 Ų92122.4 Ų122.449%0.49267%0.673SS.*  trans-89.4148.1-162.3-42.3-69000111.7P1513N1357-P1513 HydrophobicContact CB-CB 3.72Å; N1357-P1513 HydrophobicContact CB-CG 4.32Å
1358S30.3Very low28.9Very low116 Ų116123.1 Ų123.181%0.81168%0.682SS**  -157.1144.7128.5-153.90000112.9
1359S32.3Very low28.7Very low70 Ų70122.6 Ų122.649%0.4968%0.681SS.*  trans-39.9160.6168.7-82.80000117.2
1360N29.3Very low28.9Very low122 Ų122126.2 Ų126.265%0.65270%0.696SS**  cis-164.115311.3-117.13.5000112.8
1361N31.2Very low28.9Very low121 Ų121126.6 Ų126.665%0.64770%0.699SS**  trans61.9149.3144.6-60.9-3.9000120.7
1362N29.1Very low29Very low89 Ų89127.1 Ų127.148%0.47671%0.705SS.*  cis-172.9145-13.5-105.9-11.9000110.7E1506 Y1507 L1508N1362-E1506 VanDerWaalsContact O-O 3.11Å; N1362-Y1507 CarbonylContact C-O 3.57Å; N1362-Y1507 VanDerWaalsContact C-O 3.29Å; N1362-L1508 CarbonylContact C-O 3.54Å
1363N32.2Very low29.6Very low81 Ų81123 Ų12343%0.43369%0.69SS.*BIsolated β-bridgetrans146.892.6134.2-77.1-30.2000115.5Y1507 L1508N1363-Y1507 VanDerWaalsContact C-C 3.48Å; N1363-Y1507 PolarHBondContact N-O 3.08Å; N1363-Y1507 CarbonylContact O-C 3.56Å; N1363-Y1507 WeakPolarHBondContact O-CA 3.5Å; N1363-Y1507 PolarHBondContact O-N 3.38Å; N1363-L1508 PolarHBondContact N-O 3.38Å; N1363-L1508 PolarHBondContact O-N 3.16Å
1364N28.6Very low30.6Very low100 Ų100122.4 Ų122.454%0.53569%0.691SS.*  trans15.9126.2142-47.5-35.4000118.4
1365N28.3Very low32.2Very low116 Ų116117.1 Ų117.162%0.6266%0.66SS**  -174.8161.971.6-98.8-46.1000114.5
1366N27.4Very low33.8Very low130 Ų130120 Ų12070%0.69567%0.67SS**  trans50.8111.7153.9-58.9-18000118.4
1367N30.9Very low36Very low155 Ų155117.7 Ų117.783%0.82964%0.642SS**  -152.5118.871.1-93-39.8000113.7N1369N1367-N1369 PolarHBondContact O-N 2.88Å
1368N24.7Very low38.2Very low172 Ų172114.4 Ų114.492%0.9263%0.626SS**  trans-77.1100.6162.1-90.8-28000109.4
1369N28.5Very low40.6Very low146 Ų146113.3 Ų113.378%0.78161%0.614SS**  trans-129.3104.8165.5-133.8-9.1000108.6N1367 N1371N1367-N1369 PolarHBondContact O-N 2.88Å; N1369-N1371 PolarHBondContact O-N 2.91Å; N1369-N1371 VanDerWaalsContact O-N 3.07Å
1370Q28.6Very low43.1Very low195 Ų195112.7 Ų112.791%0.91161%0.61SS**  trans-70.4105.1177.4-77.6-170-19.600109.4S1372Q1370-S1372 PolarHBondContact O-N 3.42Å
1371N29.2Very low45.6Very low157 Ų157114.6 Ų114.684%0.8461%0.612SS**  trans-62.999.4169.4-88-25.8000109.7N1369 S1373N1369-N1371 PolarHBondContact O-N 2.91Å; N1369-N1371 VanDerWaalsContact O-N 3.07Å; N1371-S1373 PolarHBondContact O-N 2.73Å; N1371-S1373 VanDerWaalsContact O-N 3.08Å
1372S32.2Very low48.3Very low106 Ų106114.2 Ų114.274%0.74161%0.605SS**  trans-57.8112.8162.9-172.40000107.9Q1370 V1374Q1370-S1372 PolarHBondContact O-N 3.42Å; S1372-V1374 VanDerWaalsContact C-N 3.31Å; S1372-V1374 PolarHBondContact O-N 3.32Å
1373S36.8Very low51.3Low76 Ų76110 Ų11053%0.53158%0.583SS.*  trans-73.482.4-170.9560000111.4N1371 Y1375N1371-S1373 PolarHBondContact O-N 2.73Å; N1371-S1373 VanDerWaalsContact O-N 3.08Å; S1373-Y1375 PolarHBondContact O-N 3.27Å
1374V50.5Low53.9Low128 Ų128110.9 Ų110.978%0.77659%0.585SS**  trans-67.386.3170.6-177.30000108.5S1372 Q1376S1372-V1374 VanDerWaalsContact C-N 3.31Å; S1372-V1374 PolarHBondContact O-N 3.32Å; V1374-Q1376 PolarHBondContact O-N 3.09Å
1375Y59.1Low56.9Low37 Ų37111.5 Ų111.515%0.14559%0.585CS.*  trans-43.2103.5-177-178.6-91.7000112.3S1373 R1377 W1455 E1458 M1464S1373-Y1375 PolarHBondContact O-N 3.27Å; Y1375-R1377 PolarHBondContact O-N 3.13Å; Y1375-R1377 VanDerWaalsContact O-N 3.07Å; Y1375-W1455 AromaticContact CZ-CD1 3.84Å; Y1375-E1458 WeakPolarHBondContact CE2-OE1 3.4Å; Y1375-E1458 WeakPolarHBondContact CE2-OE2 3.46Å; Y1375-E1458 PolarHBondContact OH-OE1 3.13Å; Y1375-M1464 VanDerWaalsContact CB-CG 3.4Å; Y1375-M1464 HydrophobicContact CD1-CE 3.52Å; Y1375-M1464 HydrophobicContact CD1-SD 3.63Å; Y1375-M1464 HydrophobicContact CD2-CE 3.39Å; Y1375-M1464 HydrophobicContact CD2-SD 4.25Å; Y1375-M1464 HydrophobicContact CE1-CE 3.79Å; Y1375-M1464 HydrophobicContact CE1-SD 4.36Å; Y1375-M1464 HydrophobicContact CE2-CE 3.63Å; Y1375-M1464 HydrophobicContact CG-CB 4.44Å; Y1375-M1464 HydrophobicContact CG-CE 3.35Å; Y1375-M1464 HydrophobicContact CG-CG 3.95Å; Y1375-M1464 HydrophobicContact CG-SD 3.6Å
1376Q62.6Low59.8Low185 Ų185108 Ų10886%0.86457%0.566SS**  trans-87.293.7-171.9-165.1158.67.800110.6V1374V1374-Q1376 PolarHBondContact O-N 3.09Å
1377R74.8Confident62.9Low77 Ų77101.8 Ų101.829%0.29153%0.533SS..  trans-36.6123.9-177.4-164.8166.4-167-108.9-28.6114.1Y1375 T1379 V1419 V1420 L1421 R1451Y1375-R1377 PolarHBondContact O-N 3.13Å; Y1375-R1377 VanDerWaalsContact O-N 3.07Å; R1377-T1379 PolarHBondContact O-N 3.06Å; R1377-V1419 WeakPolarHBondContact CD-O 3.49Å; R1377-V1419 PolarHBondContact NE-O 2.65Å; R1377-V1420 VanDerWaalsContact CZ-O 3.28Å; R1377-V1420 PolarHBondContact NE-O 2.9Å; R1377-V1420 PolarHBondContact NH2-O 3.29Å; R1377-L1421 PolarHBondContact NH2-O 3.46Å; R1377-R1451 VanDerWaalsContact NH2-CZ 3.35Å
1378P76Confident65.7Low24 Ų2498.3 Ų98.316%0.15652%0.517CS..  trans-50.9133.2-173-32.435.8000115.1V1383 L1454P1378-V1383 HydrophobicContact CB-CG2 3.74Å; P1378-L1454 HydrophobicContact CB-CD1 3.84Å; P1378-L1454 HydrophobicContact CG-CB 4.36Å; P1378-L1454 HydrophobicContact CG-CD1 4.07Å
1379T81Confident68.8Low92 Ų9293.8 Ų93.856%0.56450%0.499SS*.  trans-61.1146.1-171.4680000112.5R1377 K1381 K1382 V1383R1377-T1379 PolarHBondContact O-N 3.06Å; T1379-K1381 PolarHBondContact O-N 3.2Å; T1379-K1382 PolarHBondContact O-N 3.06Å; T1379-V1383 WeakPolarHBondContact O-CG2 3.41Å; T1379-V1383 PolarHBondContact O-N 2.88Å
1380S83Confident71.6Confident58 Ų5888.5 Ų88.541%0.40647%0.471SS..Hα-helixtrans-58-35.3-175.2-147.30000112.4Q1191 M1384Q1191-S1380 PolarHBondContact O-OG 3.27Å; S1380-M1384 VanDerWaalsContact O-CB 3.31Å; S1380-M1384 WeakPolarHBondContact O-CB 3.42Å; S1380-M1384 PolarHBondContact O-N 3.44Å
1381K81.9Confident74.2Confident161 Ų16185.3 Ų85.370%0.747%0.465SS*.Hα-helixtrans-61.7-59173.9-172.1-176.4174.5-171.80111.3T1379 V1383 M1384 E1385T1379-K1381 PolarHBondContact O-N 3.2Å; K1381-V1383 VanDerWaalsContact C-N 3.25Å; K1381-V1383 PolarHBondContact O-N 3.47Å; K1381-M1384 PolarHBondContact O-N 3.34Å; K1381-E1385 VanDerWaalsContact O-CB 3.27Å; K1381-E1385 WeakPolarHBondContact O-CB 3.32Å; K1381-E1385 PolarHBondContact O-N 3.39Å
1382K88.9Confident76.8Confident114 Ų11483.8 Ų83.850%0.49646%0.457SS..Hα-helixtrans-55.4-40.1-179-176.6174.1-179.7178.50112.1T1379 L1386T1379-K1382 PolarHBondContact O-N 3.06Å; K1382-L1386 HydrophobicContact CG-CD1 3.99Å; K1382-L1386 WeakPolarHBondContact O-CB 3.34Å; K1382-L1386 WeakPolarHBondContact O-CG 3.26Å; K1382-L1386 PolarHBondContact O-N 3.05Å
1383V91.1Very high79.6Confident1 Ų179.8 Ų79.81%0.00643%0.427CS..Hα-helixtrans-69.3-37.3178.4176.30000112.6P1378 T1379 K1381 A1387 I1447 V1450 R1451 L1454P1378-V1383 HydrophobicContact CB-CG2 3.74Å; T1379-V1383 WeakPolarHBondContact O-CG2 3.41Å; T1379-V1383 PolarHBondContact O-N 2.88Å; K1381-V1383 VanDerWaalsContact C-N 3.25Å; K1381-V1383 PolarHBondContact O-N 3.47Å; V1383-A1387 VanDerWaalsContact O-CB 3.26Å; V1383-A1387 WeakPolarHBondContact O-CB 3.45Å; V1383-A1387 PolarHBondContact O-N 3.16Å; V1383-I1447 HydrophobicContact CG1-CB 4.37Å; V1383-I1447 HydrophobicContact CG1-CG1 4.5Å; V1383-I1447 HydrophobicContact CG1-CG2 3.88Å; V1383-V1450 HydrophobicContact CB-CG1 4.47Å; V1383-V1450 HydrophobicContact CG1-CB 4.19Å; V1383-V1450 HydrophobicContact CG1-CG1 4.04Å; V1383-R1451 HydrophobicContact CG1-CG 3.9Å; V1383-R1451 HydrophobicContact CG2-CG 4.01Å; V1383-L1454 HydrophobicContact CG2-CD1 4.13Å
1384M88.2Confident82.3Confident98 Ų9881 Ų8148%0.48343%0.427SS..Hα-helixtrans-78.1-34.2179.5-174.8161.1-75.600112.8S1380 K1381 A1387 T1388 I1447S1380-M1384 VanDerWaalsContact O-CB 3.31Å; S1380-M1384 WeakPolarHBondContact O-CB 3.42Å; S1380-M1384 PolarHBondContact O-N 3.44Å; K1381-M1384 PolarHBondContact O-N 3.34Å; M1384-A1387 PolarHBondContact O-N 3.24Å; M1384-T1388 PolarHBondContact O-N 3.45Å; M1384-T1388 PolarHBondContact O-OG1 3.42Å; M1384-I1447 HydrophobicContact CE-CD1 3.79Å
1385E90.1Very high84.4Confident113 Ų11375 Ų7553%0.52839%0.391SS..Hα-helixtrans-61-55171.7-170171.9160.200110K1381 A1387 T1388 S1389K1381-E1385 VanDerWaalsContact O-CB 3.27Å; K1381-E1385 WeakPolarHBondContact O-CB 3.32Å; K1381-E1385 PolarHBondContact O-N 3.39Å; E1385-A1387 VanDerWaalsContact C-N 3.32Å; E1385-A1387 PolarHBondContact O-N 2.92Å; E1385-T1388 CarbonylContact O-C 3.58Å; E1385-T1388 WeakPolarHBondContact O-CA 3.33Å; E1385-T1388 WeakPolarHBondContact O-CB 3.4Å; E1385-T1388 PolarHBondContact O-N 3.17Å; E1385-S1389 PolarHBondContact O-N 3.2Å; E1385-S1389 PolarHBondContact O-OG 2.75Å
1386L91.3Very high86.1Confident42 Ų4275.7 Ų75.722%0.2240%0.404CS..Hα-helixtrans-62.6-32.2174.8-72.9169.3000113.7K1382 T1388 S1389 L1390 V1450 L1454K1382-L1386 HydrophobicContact CG-CD1 3.99Å; K1382-L1386 WeakPolarHBondContact O-CB 3.34Å; K1382-L1386 WeakPolarHBondContact O-CG 3.26Å; K1382-L1386 PolarHBondContact O-N 3.05Å; L1386-T1388 PolarHBondContact O-N 3.37Å; L1386-T1388 VanDerWaalsContact O-N 3.16Å; L1386-S1389 PolarHBondContact O-N 3.08Å; L1386-L1390 HydrophobicContact CB-CD1 4.1Å; L1386-L1390 HydrophobicContact CD2-CD1 4.46Å; L1386-L1390 HydrophobicContact CD2-CG 4.33Å; L1386-L1390 VanDerWaalsContact O-CB 3.28Å; L1386-L1390 WeakPolarHBondContact O-CB 3.32Å; L1386-L1390 WeakPolarHBondContact O-CG 3.28Å; L1386-L1390 PolarHBondContact O-N 2.77Å; L1386-V1450 HydrophobicContact CB-CG1 3.66Å; L1386-V1450 HydrophobicContact CD1-CG1 4.27Å; L1386-L1454 HydrophobicContact CD1-CD1 4.03Å; L1386-L1454 HydrophobicContact CD1-CD2 3.84Å; L1386-L1454 HydrophobicContact CD1-CG 4.23Å
1387A91.9Very high87.6Confident0 Ų069.4 Ų69.40%038%0.381CS..Hα-helixtrans-64.8-15172.600000113.5V1383 M1384 E1385 R1446 V1450V1383-A1387 VanDerWaalsContact O-CB 3.26Å; V1383-A1387 WeakPolarHBondContact O-CB 3.45Å; V1383-A1387 PolarHBondContact O-N 3.16Å; M1384-A1387 PolarHBondContact O-N 3.24Å; E1385-A1387 VanDerWaalsContact C-N 3.32Å; E1385-A1387 PolarHBondContact O-N 2.92Å; A1387-R1446 HydrophobicContact CB-CB 3.93Å; A1387-R1446 WeakPolarHBondContact O-CD 3.19Å; A1387-R1446 PolarHBondContact O-NH1 3.25Å; A1387-V1450 HydrophobicContact CB-CG2 3.91Å
1388T89.5Confident88.6Confident83 Ų8366.3 Ų66.351%0.50937%0.37SS..Hα-helixtrans-106.7-33.8179.7-500000111.9M1384 E1385 L1386 N1443M1384-T1388 PolarHBondContact O-N 3.45Å; M1384-T1388 PolarHBondContact O-OG1 3.42Å; E1385-T1388 CarbonylContact O-C 3.58Å; E1385-T1388 WeakPolarHBondContact O-CA 3.33Å; E1385-T1388 WeakPolarHBondContact O-CB 3.4Å; E1385-T1388 PolarHBondContact O-N 3.17Å; L1386-T1388 PolarHBondContact O-N 3.37Å; L1386-T1388 VanDerWaalsContact O-N 3.16Å; T1388-N1443 PolarHBondContact OG1-ND2 2.97Å
1389S89.2Confident89.5Confident76 Ų7665.2 Ų65.253%0.53136%0.363SS..Hα-helixtrans-94.1-22.4-177.462.20000115.9E1385 L1386 T1391E1385-S1389 PolarHBondContact O-N 3.2Å; E1385-S1389 PolarHBondContact O-OG 2.75Å; L1386-S1389 PolarHBondContact O-N 3.08Å; S1389-T1391 PolarHBondContact O-N 3.38Å; S1389-T1391 VanDerWaalsContact O-N 3.14Å
1390L88.3Confident90.2Very high35 Ų3562.5 Ų62.518%0.18335%0.353CS..  trans-67.7112.3171.7-76.9163.8000109.3L1386 W1438 V1450L1386-L1390 HydrophobicContact CB-CD1 4.1Å; L1386-L1390 HydrophobicContact CD2-CD1 4.46Å; L1386-L1390 HydrophobicContact CD2-CG 4.33Å; L1386-L1390 VanDerWaalsContact O-CB 3.28Å; L1386-L1390 WeakPolarHBondContact O-CB 3.32Å; L1386-L1390 WeakPolarHBondContact O-CG 3.28Å; L1386-L1390 PolarHBondContact O-N 2.77Å; L1390-W1438 HydrophobicContact CB-CH2 4.1Å; L1390-W1438 HydrophobicContact CB-CZ2 3.55Å; L1390-W1438 HydrophobicContact CD1-CH2 4.34Å; L1390-W1438 VanDerWaalsContact O-CZ2 3.3Å; L1390-W1438 WeakPolarHBondContact O-CZ2 3.42Å; L1390-W1438 PolarHBondContact O-NE1 3.37Å; L1390-V1450 HydrophobicContact CD1-CG2 4.21Å
1391T82.4Confident90.8Very high128 Ų12865.5 Ų65.579%0.78536%0.359SS*.  trans-68.8-58.5-176.745.30000111.1S1389 W1438S1389-T1391 PolarHBondContact O-N 3.38Å; S1389-T1391 VanDerWaalsContact O-N 3.14Å; T1391-W1438 PolarHBondContact O-NE1 2.9Å
1392D83.7Confident91.5Very high126 Ų12657.8 Ų57.867%0.67433%0.325SS*.  trans-132.9142.4172.8-94.3-53.2000112.7
1393L90.7Very high91.8Very high22 Ų2256.8 Ų56.812%0.11532%0.321CS..  trans-142.6122.3178.9-17477.9000108.5T1395 M1398 W1438 H1453L1393-T1395 VanDerWaalsContact C-N 3.28Å; L1393-T1395 HydrophobicContact CD2-CG2 4.47Å; L1393-T1395 PolarHBondContact O-N 2.86Å; L1393-M1398 HydrophobicContact CD2-CE 4.14Å; L1393-M1398 HydrophobicContact CD2-SD 4.03Å; L1393-W1438 HydrophobicContact CB-CD2 3.77Å; L1393-W1438 HydrophobicContact CB-CE3 3.78Å; L1393-W1438 HydrophobicContact CB-CG 4.12Å; L1393-W1438 HydrophobicContact CB-CZ3 4.2Å; L1393-W1438 HydrophobicContact CD2-CE3 3.81Å; L1393-W1438 HydrophobicContact CD2-CH2 4.31Å; L1393-W1438 HydrophobicContact CD2-CZ3 3.62Å; L1393-W1438 HydrophobicContact CG-CE3 4.42Å; L1393-W1438 WeakPolarHBondContact O-CB 3.24Å; L1393-H1453 HydrophobicContact CD1-CB 4.19Å; L1393-H1453 HydrophobicContact CD2-CB 4.22Å
1394D94.5Very high92Very high100 Ų10061.2 Ų61.254%0.53534%0.341SS..  trans-73.187.1174.3-175.5-6.9000110.9A1396 S1397 M1398D1394-A1396 PolarHBondContact O-N 3.32Å; D1394-A1396 WeakPolarHBondContact OD1-CA 3.21Å; D1394-A1396 WeakPolarHBondContact OD1-CB 3.5Å; D1394-A1396 PolarHBondContact OD1-N 2.85Å; D1394-S1397 PolarHBondContact OD1-N 2.71Å; D1394-S1397 WeakPolarHBondContact OD2-CB 3.39Å; D1394-M1398 WeakPolarHBondContact O-CB 3.49Å; D1394-M1398 PolarHBondContact O-N 3.31Å
1395T94.8Very high92.3Very high3 Ų358 Ų582%0.01833%0.326CS..Hα-helixtrans-61.4-23.8175.749.30000113.8L1393 C1399 R1436 P1437 W1438 L1441 Y1449L1393-T1395 VanDerWaalsContact C-N 3.28Å; L1393-T1395 HydrophobicContact CD2-CG2 4.47Å; L1393-T1395 PolarHBondContact O-N 2.86Å; T1395-C1399 VanDerWaalsContact O-CB 3.23Å; T1395-C1399 WeakPolarHBondContact O-CB 3.45Å; T1395-C1399 PolarHBondContact O-N 3.12Å; T1395-C1399 PolarHBondContact O-SG 2.95Å; T1395-R1436 WeakPolarHBondContact CB-O 3.49Å; T1395-R1436 PolarHBondContact OG1-O 3.27Å; T1395-P1437 WeakPolarHBondContact OG1-CA 3.48Å; T1395-W1438 HydrophobicContact CG2-CB 4.19Å; T1395-W1438 HydrophobicContact CG2-CE3 3.99Å; T1395-L1441 HydrophobicContact CG2-CD1 4.12Å; T1395-Y1449 HydrophobicContact CG2-CD1 3.48Å; T1395-Y1449 VanDerWaalsContact CG2-CD1 3.48Å; T1395-Y1449 HydrophobicContact CG2-CE1 3.91Å; T1395-Y1449 HydrophobicContact CG2-CG 3.87Å
1396A93.2Very high92.5Very high52 Ų5253 Ų5343%0.4330%0.303SS..Hα-helixtrans-82.1-52.8-178.500000110.6D1394 M1398 C1399 G1400D1394-A1396 PolarHBondContact O-N 3.32Å; D1394-A1396 WeakPolarHBondContact OD1-CA 3.21Å; D1394-A1396 WeakPolarHBondContact OD1-CB 3.5Å; D1394-A1396 PolarHBondContact OD1-N 2.85Å; A1396-M1398 VanDerWaalsContact C-N 3.34Å; A1396-M1398 PolarHBondContact O-N 3.47Å; A1396-C1399 PolarHBondContact O-N 2.96Å; A1396-G1400 PolarHBondContact O-N 3.15Å
1397S94.5Very high92.7Very high52 Ų5257.6 Ų57.636%0.36432%0.323SS..Hα-helixtrans-59.8-44.1173.6179.20000111.5D1394 G1400 K1401D1394-S1397 PolarHBondContact OD1-N 2.71Å; D1394-S1397 WeakPolarHBondContact OD2-CB 3.39Å; S1397-G1400 PolarHBondContact O-N 2.8Å; S1397-K1401 WeakPolarHBondContact O-CG 3.35Å; S1397-K1401 PolarHBondContact O-N 3.33Å
1398M95.6Very high92.8Very high12 Ų1264.7 Ų64.76%0.05935%0.35CS..Hα-helixtrans-59.1-52.2177.4-173.3-170.762.500112.2L1393 D1394 A1396 G1400 K1401 I1402 Y1449 L1452 H1453 L1456L1393-M1398 HydrophobicContact CD2-CE 4.14Å; L1393-M1398 HydrophobicContact CD2-SD 4.03Å; D1394-M1398 WeakPolarHBondContact O-CB 3.49Å; D1394-M1398 PolarHBondContact O-N 3.31Å; A1396-M1398 VanDerWaalsContact C-N 3.34Å; A1396-M1398 PolarHBondContact O-N 3.47Å; M1398-G1400 VanDerWaalsContact C-N 3.28Å; M1398-G1400 PolarHBondContact O-N 3.25Å; M1398-K1401 PolarHBondContact O-N 3.23Å; M1398-I1402 HydrophobicContact CG-CD1 4.18Å; M1398-I1402 VanDerWaalsContact O-CG1 3.29Å; M1398-I1402 WeakPolarHBondContact O-CG1 3.38Å; M1398-I1402 PolarHBondContact O-N 3.37Å; M1398-I1402 VanDerWaalsContact O-N 3.09Å; M1398-Y1449 HydrophobicContact CE-CD1 3.73Å; M1398-Y1449 HydrophobicContact CE-CG 4.3Å; M1398-Y1449 WeakPolarHBondContact CE-O 3.42Å; M1398-L1452 HydrophobicContact CE-CB 3.57Å; M1398-L1452 HydrophobicContact CE-CD1 3.92Å; M1398-L1452 HydrophobicContact CE-CG 4.38Å; M1398-L1452 HydrophobicContact SD-CB 3.83Å; M1398-H1453 VanDerWaalsContact SD-CA 3.59Å; M1398-H1453 HydrophobicContact SD-CB 3.71Å; M1398-H1453 PolarHBondContact SD-N 3.33Å; M1398-H1453 VanDerWaalsContact SD-N 3.42Å; M1398-L1456 HydrophobicContact CG-CD1 3.56Å
1399C96.3Very high92.9Very high1 Ų164.1 Ų64.11%0.00734%0.342CS..Hα-helixtrans-67.1-29177.6-75.30000112.8T1395 A1396 K1403 L1432 T1435 L1452T1395-C1399 VanDerWaalsContact O-CB 3.23Å; T1395-C1399 WeakPolarHBondContact O-CB 3.45Å; T1395-C1399 PolarHBondContact O-N 3.12Å; T1395-C1399 PolarHBondContact O-SG 2.95Å; A1396-C1399 PolarHBondContact O-N 2.96Å; C1399-K1403 WeakPolarHBondContact O-CB 3.42Å; C1399-K1403 PolarHBondContact O-N 2.9Å; C1399-L1432 HydrophobicContact CB-CD2 3.81Å; C1399-T1435 HydrophobicContact CB-CG2 3.33Å; C1399-L1452 WeakPolarHBondContact SG-CD1 3.35Å
1400G95.7Very high93.1Very high35 Ų3564.8 Ų64.836%0.36135%0.346SS..Hα-helixtrans-59.1-57.7170.100000111.8A1396 S1397 M1398 I1402 K1403 E1404A1396-G1400 PolarHBondContact O-N 3.15Å; S1397-G1400 PolarHBondContact O-N 2.8Å; M1398-G1400 VanDerWaalsContact C-N 3.28Å; M1398-G1400 PolarHBondContact O-N 3.25Å; G1400-I1402 VanDerWaalsContact C-N 3.28Å; G1400-I1402 PolarHBondContact O-N 3.08Å; G1400-K1403 WeakPolarHBondContact O-CB 3.36Å; G1400-K1403 PolarHBondContact O-N 3.38Å; G1400-K1403 VanDerWaalsContact O-N 3.16Å; G1400-E1404 WeakPolarHBondContact O-CB 3.47Å; G1400-E1404 PolarHBondContact O-N 3.25Å
1401K95.6Very high93.4Very high121 Ų12163.4 Ų63.453%0.52634%0.339SS..Hα-helixtrans-53.9-42.4177-69.7176.4-177.9-174.70112.4S1397 M1398 E1404 L1405S1397-K1401 WeakPolarHBondContact O-CG 3.35Å; S1397-K1401 PolarHBondContact O-N 3.33Å; M1398-K1401 PolarHBondContact O-N 3.23Å; K1401-E1404 PolarHBondContact O-N 2.93Å; K1401-L1405 WeakPolarHBondContact O-CB 3.33Å; K1401-L1405 WeakPolarHBondContact O-CG 3.49Å; K1401-L1405 PolarHBondContact O-N 3.43Å
1402I96Very high93.9Very high0 Ų060.4 Ų60.40%032%0.321CS..Hα-helixtrans-70.1-41.8-180-64.9176.8000111.6M1398 G1400 E1404 L1405 L1406 F1416 L1432 L1452 W1455 L1456M1398-I1402 HydrophobicContact CG-CD1 4.18Å; M1398-I1402 VanDerWaalsContact O-CG1 3.29Å; M1398-I1402 WeakPolarHBondContact O-CG1 3.38Å; M1398-I1402 PolarHBondContact O-N 3.37Å; M1398-I1402 VanDerWaalsContact O-N 3.09Å; G1400-I1402 VanDerWaalsContact C-N 3.28Å; G1400-I1402 PolarHBondContact O-N 3.08Å; I1402-E1404 VanDerWaalsContact C-N 3.29Å; I1402-E1404 PolarHBondContact O-N 2.87Å; I1402-L1405 PolarHBondContact O-N 3.19Å; I1402-L1406 HydrophobicContact CG2-CD1 3.98Å; I1402-L1406 HydrophobicContact CG2-CG 4.37Å; I1402-L1406 WeakPolarHBondContact O-CB 3.25Å; I1402-L1406 WeakPolarHBondContact O-CG 3.24Å; I1402-L1406 PolarHBondContact O-N 3.47Å; I1402-F1416 HydrophobicContact CG2-CE1 3.86Å; I1402-F1416 HydrophobicContact CG2-CE2 4.26Å; I1402-F1416 HydrophobicContact CG2-CZ 3.54Å; I1402-L1432 HydrophobicContact CB-CD2 4.44Å; I1402-L1432 HydrophobicContact CG2-CD2 4.22Å; I1402-L1452 HydrophobicContact CD1-CB 3.54Å; I1402-L1452 HydrophobicContact CD1-CD1 4.27Å; I1402-L1452 HydrophobicContact CD1-CD2 3.67Å; I1402-L1452 HydrophobicContact CD1-CG 4Å; I1402-L1452 HydrophobicContact CG2-CD2 4.38Å; I1402-W1455 HydrophobicContact CB-CZ3 4.46Å; I1402-W1455 HydrophobicContact CD1-CE3 4.16Å; I1402-W1455 HydrophobicContact CD1-CZ3 4.36Å; I1402-W1455 HydrophobicContact CG1-CE3 4.24Å; I1402-W1455 HydrophobicContact CG1-CZ3 3.96Å; I1402-W1455 HydrophobicContact CG2-CZ3 4Å; I1402-L1456 HydrophobicContact CD1-CD1 3.73Å; I1402-L1456 HydrophobicContact CD1-CD2 4.42Å; I1402-L1456 HydrophobicContact CD1-CG 3.81Å; I1402-L1456 HydrophobicContact CG1-CD1 3.72Å; I1402-L1456 HydrophobicContact CG1-CD2 3.83Å; I1402-L1456 HydrophobicContact CG1-CG 3.77Å
1403K95.8Very high94.4Very high92 Ų9256.6 Ų56.640%0.430%0.3SS..Hα-helixtrans-60.9-41.2174.6-178.3-176.9176.3-173.10111C1399 G1400 Q1407C1399-K1403 WeakPolarHBondContact O-CB 3.42Å; C1399-K1403 PolarHBondContact O-N 2.9Å; G1400-K1403 WeakPolarHBondContact O-CB 3.36Å; G1400-K1403 PolarHBondContact O-N 3.38Å; G1400-K1403 VanDerWaalsContact O-N 3.16Å; K1403-Q1407 WeakPolarHBondContact O-CG 3.5Å; K1403-Q1407 PolarHBondContact O-N 2.78Å
1404E94.9Very high94.5Very high94 Ų9459.9 Ų59.944%0.43931%0.311SS..Hα-helixtrans-64.8-48.5175.7-165.9-168.113300112.2G1400 K1401 I1402 L1406 Q1407 R1408G1400-E1404 WeakPolarHBondContact O-CB 3.47Å; G1400-E1404 PolarHBondContact O-N 3.25Å; K1401-E1404 PolarHBondContact O-N 2.93Å; I1402-E1404 VanDerWaalsContact C-N 3.29Å; I1402-E1404 PolarHBondContact O-N 2.87Å; E1404-L1406 PolarHBondContact O-N 3.37Å; E1404-Q1407 PolarHBondContact O-N 3.49Å; E1404-R1408 VanDerWaalsContact O-CB 3.31Å; E1404-R1408 WeakPolarHBondContact O-CB 3.32Å; E1404-R1408 PolarHBondContact O-N 2.89Å; E1404-R1408 IonicContact OE1-CZ 2.65Å; E1404-R1408 IonicContact OE1-NH1 3.67Å; E1404-R1408 PolarHBondContact OE1-NH1 3.22Å; E1404-R1408 IonicContact OE1-NH2 2.67Å; E1404-R1408 PolarHBondContact OE1-NH2 2.99Å
1405L94.4Very high94.5Very high32 Ų3255.8 Ų55.817%0.16829%0.288CS..Hα-helixtrans-57.1-46.5175.1-79.3164.5000112.1K1401 I1402 Q1407 R1408 H1409 W1455 L1456K1401-L1405 WeakPolarHBondContact O-CB 3.33Å; K1401-L1405 WeakPolarHBondContact O-CG 3.49Å; K1401-L1405 PolarHBondContact O-N 3.43Å; I1402-L1405 PolarHBondContact O-N 3.19Å; L1405-Q1407 VanDerWaalsContact C-N 3.31Å; L1405-Q1407 PolarHBondContact O-N 3.24Å; L1405-R1408 PolarHBondContact O-N 2.92Å; L1405-H1409 PolarHBondContact O-CD2 2.94Å; L1405-H1409 VanDerWaalsContact O-CD2 3.24Å; L1405-H1409 PolarHBondContact O-N 3.46Å; L1405-W1455 HydrophobicContact CD1-CZ3 4.48Å; L1405-L1456 HydrophobicContact CD1-CD2 3.74Å
1406L95.1Very high94.5Very high8 Ų855.6 Ų55.64%0.04229%0.287CS..Hα-helixtrans-63.8-35.9178.4-68.8173.2000112.3I1402 E1404 S1410 I1411 Q1413 F1416 L1432I1402-L1406 HydrophobicContact CG2-CD1 3.98Å; I1402-L1406 HydrophobicContact CG2-CG 4.37Å; I1402-L1406 WeakPolarHBondContact O-CB 3.25Å; I1402-L1406 WeakPolarHBondContact O-CG 3.24Å; I1402-L1406 PolarHBondContact O-N 3.47Å; E1404-L1406 PolarHBondContact O-N 3.37Å; L1406-S1410 PolarHBondContact O-N 3.47Å; L1406-I1411 HydrophobicContact CD2-CB 3.73Å; L1406-I1411 HydrophobicContact CD2-CD1 4.47Å; L1406-I1411 HydrophobicContact CD2-CG2 3.64Å; L1406-I1411 PolarHBondContact O-N 3.43Å; L1406-Q1413 HydrophobicContact CD1-CG 4.35Å; L1406-F1416 HydrophobicContact CD1-CB 4.22Å; L1406-F1416 HydrophobicContact CD1-CD1 3.7Å; L1406-F1416 HydrophobicContact CD1-CD2 4.36Å; L1406-F1416 HydrophobicContact CD1-CE1 4.1Å; L1406-F1416 HydrophobicContact CD1-CG 3.84Å; L1406-F1416 HydrophobicContact CD2-CB 3.8Å; L1406-F1416 HydrophobicContact CD2-CD2 3.83Å; L1406-F1416 HydrophobicContact CD2-CG 3.81Å; L1406-F1416 HydrophobicContact CG-CG 4.44Å; L1406-L1432 HydrophobicContact CD1-CD1 3.98Å
1407Q94.2Very high94.6Very high137 Ų13753.1 Ų53.164%0.6427%0.267SS*.Hα-helixtrans-72-51.4174.2-72.7-177-8100111.8K1403 E1404 L1405 H1409 S1410K1403-Q1407 WeakPolarHBondContact O-CG 3.5Å; K1403-Q1407 PolarHBondContact O-N 2.78Å; E1404-Q1407 PolarHBondContact O-N 3.49Å; L1405-Q1407 VanDerWaalsContact C-N 3.31Å; L1405-Q1407 PolarHBondContact O-N 3.24Å; Q1407-H1409 PolarHBondContact O-N 2.84Å; Q1407-S1410 PolarHBondContact O-N 2.84Å
1408R93.9Very high94.2Very high150 Ų15053.1 Ų53.157%0.56626%0.263SS*.Hα-helixtrans-52.8-41.5179.5177.2178.2-77.2112.63.4112.1E1404 L1405E1404-R1408 VanDerWaalsContact O-CB 3.31Å; E1404-R1408 WeakPolarHBondContact O-CB 3.32Å; E1404-R1408 PolarHBondContact O-N 2.89Å; E1404-R1408 IonicContact OE1-CZ 2.65Å; E1404-R1408 IonicContact OE1-NH1 3.67Å; E1404-R1408 PolarHBondContact OE1-NH1 3.22Å; E1404-R1408 IonicContact OE1-NH2 2.67Å; E1404-R1408 PolarHBondContact OE1-NH2 2.99Å; L1405-R1408 PolarHBondContact O-N 2.92Å
1409H92.2Very high94Very high71 Ų7154.7 Ų54.733%0.32927%0.273SS..THydrogen-bonded Turntrans-98.58.3-177.9-59.6-65.4000114.2L1405 Q1407 I1411 L1462L1405-H1409 PolarHBondContact O-CD2 2.94Å; L1405-H1409 VanDerWaalsContact O-CD2 3.24Å; L1405-H1409 PolarHBondContact O-N 3.46Å; Q1407-H1409 PolarHBondContact O-N 2.84Å; H1409-I1411 HydrophobicContact CB-CD1 3.89Å; H1409-I1411 HydrophobicContact CB-CG1 4.01Å; H1409-I1411 PolarHBondContact O-N 3.06Å; H1409-L1462 HydrophobicContact CB-CD1 4.46Å; H1409-L1462 HydrophobicContact CB-CD2 4.23Å; H1409-L1462 WeakPolarHBondContact CD2-CD2 3.5Å
1410S93.3Very high93.8Very high90 Ų9054.9 Ų54.963%0.62927%0.274SS*.THydrogen-bonded Turntrans51.837.1180-66.20000113.9L1406 Q1407 P1412 Q1469L1406-S1410 PolarHBondContact O-N 3.47Å; Q1407-S1410 PolarHBondContact O-N 2.84Å; S1410-P1412 WeakPolarHBondContact O-CD 3.24Å; S1410-Q1469 PolarHBondContact O-NE2 2.79Å
1411I94Very high93.6Very high6 Ų653.2 Ų53.23%0.03126%0.257CS..  trans-88.4115.7178.7-60.6168000107.9L1406 H1409 Q1413 L1462 L1465L1406-I1411 HydrophobicContact CD2-CB 3.73Å; L1406-I1411 HydrophobicContact CD2-CD1 4.47Å; L1406-I1411 HydrophobicContact CD2-CG2 3.64Å; L1406-I1411 PolarHBondContact O-N 3.43Å; H1409-I1411 HydrophobicContact CB-CD1 3.89Å; H1409-I1411 HydrophobicContact CB-CG1 4.01Å; H1409-I1411 PolarHBondContact O-N 3.06Å; I1411-Q1413 PolarHBondContact O-N 3.29Å; I1411-L1462 HydrophobicContact CD1-CD1 3.55Å; I1411-L1462 HydrophobicContact CD1-CG 4.05Å; I1411-L1465 HydrophobicContact CD1-CB 3.9Å; I1411-L1465 HydrophobicContact CD1-CD1 4.15Å; I1411-L1465 HydrophobicContact CG2-CB 4.19Å; I1411-L1465 HydrophobicContact CG2-CD1 4.23Å
1412P93Very high93.2Very high64 Ų6449.4 Ų49.442%0.41625%0.252SS..  trans-68132.6-177.526.7-33.3000110.9S1410 R1414 L1415 F1416S1410-P1412 WeakPolarHBondContact O-CD 3.24Å; P1412-R1414 PolarHBondContact O-N 2.8Å; P1412-L1415 HydrophobicContact CG-CB 4.04Å; P1412-L1415 WeakPolarHBondContact O-CB 3.37Å; P1412-L1415 PolarHBondContact O-N 3.19Å; P1412-F1416 PolarHBondContact O-N 2.87Å
1413Q94.1Very high92.9Very high47 Ų4752.3 Ų52.322%0.2227%0.266CS..Hα-helixtrans-51.4-22.3175.7-75.7-178.4-11.400114.1L1406 I1411 G1417 Q1425 V1428 L1432L1406-Q1413 HydrophobicContact CD1-CG 4.35Å; I1411-Q1413 PolarHBondContact O-N 3.29Å; Q1413-G1417 WeakPolarHBondContact O-CA 3.25Å; Q1413-G1417 PolarHBondContact O-N 3.14Å; Q1413-Q1425 HydrophobicContact CB-CG 4.15Å; Q1413-V1428 HydrophobicContact CB-CG1 4.18Å; Q1413-V1428 HydrophobicContact CG-CG1 4.29Å; Q1413-L1432 HydrophobicContact CG-CD1 4.47Å
1414R93.1Very high92.6Very high91 Ų9151.1 Ų51.134%0.34327%0.269SS..Hα-helixtrans-62.7-44173.1-179.169.2-157.3104.80.7112.3S1256 P1412 D1418 Q1425S1256-R1414 PolarHBondContact OG-NH2 2.98Å; P1412-R1414 PolarHBondContact O-N 2.8Å; R1414-D1418 IonicContact CZ-OD1 2.73Å; R1414-D1418 IonicContact CZ-OD2 2.7Å; R1414-D1418 IonicContact NE-OD2 2.73Å; R1414-D1418 IonicContact NH1-OD1 2.83Å; R1414-D1418 PolarHBondContact NH1-OD1 3.37Å; R1414-D1418 IonicContact NH1-OD2 3.06Å; R1414-D1418 PolarHBondContact NH1-OD2 2.9Å; R1414-D1418 IonicContact NH2-OD1 3Å; R1414-D1418 PolarHBondContact NH2-OD1 3.37Å; R1414-D1418 IonicContact NH2-OD2 2.67Å; R1414-D1418 PolarHBondContact NH2-OD2 3.44Å; R1414-D1418 PolarHBondContact O-N 3.45Å; R1414-D1418 VanDerWaalsContact O-N 3.13Å; R1414-Q1425 HydrophobicContact CB-CB 4.31Å; R1414-Q1425 HydrophobicContact CB-CG 4.47Å
1415L94Very high92.4Very high13 Ų1351.4 Ų51.47%0.06827%0.27CS..Hα-helixtrans-73.3-50.7-178.518060.8000110.7P1412 G1417 D1418 V1419 L1465 A1468 Q1469 I1472P1412-L1415 HydrophobicContact CG-CB 4.04Å; P1412-L1415 WeakPolarHBondContact O-CB 3.37Å; P1412-L1415 PolarHBondContact O-N 3.19Å; L1415-G1417 PolarHBondContact O-N 3Å; L1415-D1418 PolarHBondContact O-N 2.72Å; L1415-D1418 VanDerWaalsContact O-N 3.1Å; L1415-V1419 HydrophobicContact CD1-CG2 3.9Å; L1415-V1419 WeakPolarHBondContact O-CG2 3.33Å; L1415-V1419 PolarHBondContact O-N 3.02Å; L1415-L1465 HydrophobicContact CG-CD2 4.42Å; L1415-A1468 HydrophobicContact CD1-CB 3.99Å; L1415-A1468 HydrophobicContact CD2-CB 4.31Å; L1415-Q1469 HydrophobicContact CD2-CB 3.63Å; L1415-Q1469 HydrophobicContact CD2-CG 4.23Å; L1415-I1472 HydrophobicContact CD1-CD1 3.68Å
1416F95.5Very high92.1Very high0 Ų052.8 Ų52.80%029%0.286CS..Hα-helixtrans-53-41.3171.3-178.5-108000112I1402 L1406 P1412 V1420 L1421 V1428 L1452 W1455 L1465I1402-F1416 HydrophobicContact CG2-CE1 3.86Å; I1402-F1416 HydrophobicContact CG2-CE2 4.26Å; I1402-F1416 HydrophobicContact CG2-CZ 3.54Å; L1406-F1416 HydrophobicContact CD1-CB 4.22Å; L1406-F1416 HydrophobicContact CD1-CD1 3.7Å; L1406-F1416 HydrophobicContact CD1-CD2 4.36Å; L1406-F1416 HydrophobicContact CD1-CE1 4.1Å; L1406-F1416 HydrophobicContact CD1-CG 3.84Å; L1406-F1416 HydrophobicContact CD2-CB 3.8Å; L1406-F1416 HydrophobicContact CD2-CD2 3.83Å; L1406-F1416 HydrophobicContact CD2-CG 3.81Å; L1406-F1416 HydrophobicContact CG-CG 4.44Å; P1412-F1416 PolarHBondContact O-N 2.87Å; F1416-V1420 HydrophobicContact CD2-CB 4.01Å; F1416-V1420 HydrophobicContact CD2-CG2 3.74Å; F1416-V1420 HydrophobicContact CE2-CB 3.84Å; F1416-V1420 HydrophobicContact CE2-CG1 3.95Å; F1416-V1420 HydrophobicContact CE2-CG2 3.74Å; F1416-V1420 HydrophobicContact CZ-CB 4.32Å; F1416-V1420 HydrophobicContact CZ-CG1 4.16Å; F1416-V1420 WeakPolarHBondContact O-CB 3.37Å; F1416-V1420 PolarHBondContact O-N 3.41Å; F1416-L1421 HydrophobicContact CD1-CD1 4.26Å; F1416-L1421 HydrophobicContact CE1-CD1 3.84Å; F1416-L1421 HydrophobicContact CE1-CG 4.2Å; F1416-L1421 PolarHBondContact O-N 3.5Å; F1416-V1428 HydrophobicContact CD1-CG1 4.02Å; F1416-L1452 HydrophobicContact CE1-CD2 3.64Å; F1416-L1452 HydrophobicContact CZ-CD2 3.47Å; F1416-L1452 VanDerWaalsContact CZ-CD2 3.47Å; F1416-W1455 HydrophobicContact CD2-CH2 4.48Å; F1416-W1455 HydrophobicContact CD2-CZ2 4.39Å; F1416-W1455 AromaticContact CE2-CD2 3.76Å; F1416-W1455 HydrophobicContact CE2-CD2 3.76Å; F1416-W1455 AromaticContact CE2-CE2 3.85Å; F1416-W1455 AromaticContact CE2-CE3 3.68Å; F1416-W1455 HydrophobicContact CE2-CE3 3.68Å; F1416-W1455 AromaticContact CE2-CH2 3.86Å; F1416-W1455 HydrophobicContact CE2-CH2 3.86Å; F1416-W1455 AromaticContact CE2-CZ2 3.93Å; F1416-W1455 HydrophobicContact CE2-CZ2 3.93Å; F1416-W1455 AromaticContact CE2-CZ3 3.73Å; F1416-W1455 HydrophobicContact CE2-CZ3 3.73Å; F1416-W1455 HydrophobicContact CZ-CD2 4.41Å; F1416-W1455 HydrophobicContact CZ-CE3 4.03Å; F1416-W1455 HydrophobicContact CZ-CZ3 4.19Å; F1416-L1465 HydrophobicContact CD2-CD1 3.75Å; F1416-L1465 HydrophobicContact CE2-CD1 4.41Å
1417G94.4Very high92Very high0 Ų054.4 Ų54.40%030%0.298CS..Iπ-helixtrans-60.3-44.3175.700000114.2Q1413 L1415 L1421 G1422 M1423 V1428Q1413-G1417 WeakPolarHBondContact O-CA 3.25Å; Q1413-G1417 PolarHBondContact O-N 3.14Å; L1415-G1417 PolarHBondContact O-N 3Å; G1417-L1421 CarbonylContact O-C 3.54Å; G1417-G1422 CarbonylContact O-C 3.58Å; G1417-G1422 WeakPolarHBondContact O-CA 2.95Å; G1417-G1422 PolarHBondContact O-N 3.47Å; G1417-M1423 CarbonylContact C-O 3.54Å; G1417-M1423 WeakPolarHBondContact CA-O 3.34Å; G1417-M1423 PolarHBondContact O-N 3.32Å; G1417-M1423 VanDerWaalsContact O-O 3.1Å; G1417-V1428 VanDerWaalsContact CA-CG2 3.49Å
1418D87.7Confident92Very high51 Ų5147.9 Ų47.927%0.27327%0.268SS..Iπ-helixtrans-70.7-53.5177.5-76-27000111.8S1256 R1414 L1415 G1422S1256-D1418 WeakPolarHBondContact CB-OD2 3.23Å; S1256-D1418 PolarHBondContact OG-OD2 3.36Å; R1414-D1418 IonicContact CZ-OD1 2.73Å; R1414-D1418 IonicContact CZ-OD2 2.7Å; R1414-D1418 IonicContact NE-OD2 2.73Å; R1414-D1418 IonicContact NH1-OD1 2.83Å; R1414-D1418 PolarHBondContact NH1-OD1 3.37Å; R1414-D1418 IonicContact NH1-OD2 3.06Å; R1414-D1418 PolarHBondContact NH1-OD2 2.9Å; R1414-D1418 IonicContact NH2-OD1 3Å; R1414-D1418 PolarHBondContact NH2-OD1 3.37Å; R1414-D1418 IonicContact NH2-OD2 2.67Å; R1414-D1418 PolarHBondContact NH2-OD2 3.44Å; R1414-D1418 PolarHBondContact O-N 3.45Å; R1414-D1418 VanDerWaalsContact O-N 3.13Å; L1415-D1418 PolarHBondContact O-N 2.72Å; L1415-D1418 VanDerWaalsContact O-N 3.1Å; D1418-G1422 PolarHBondContact O-N 2.94Å
1419V90.4Very high92.1Very high46 Ų4643.1 Ų43.128%0.27926%0.258SS..Iπ-helixtrans-77.1-50.1-167.3-167.60000112R1377 L1415 M1464 L1465R1377-V1419 WeakPolarHBondContact CD-O 3.49Å; R1377-V1419 PolarHBondContact NE-O 2.65Å; L1415-V1419 HydrophobicContact CD1-CG2 3.9Å; L1415-V1419 WeakPolarHBondContact O-CG2 3.33Å; L1415-V1419 PolarHBondContact O-N 3.02Å; V1419-M1464 HydrophobicContact CB-SD 4.22Å; V1419-M1464 HydrophobicContact CG1-CG 4.29Å; V1419-M1464 HydrophobicContact CG1-SD 3.33Å; V1419-M1464 WeakPolarHBondContact CG1-SD 3.49Å; V1419-L1465 HydrophobicContact CB-CD2 4.32Å
1420V91.8Very high92.1Very high4 Ų443.1 Ų43.12%0.02426%0.26CS..Iπ-helixtrans-85.3-51-176.4-177.90000110.9R1377 F1416 W1455 M1464 L1465R1377-V1420 VanDerWaalsContact CZ-O 3.28Å; R1377-V1420 PolarHBondContact NE-O 2.9Å; R1377-V1420 PolarHBondContact NH2-O 3.29Å; F1416-V1420 HydrophobicContact CD2-CB 4.01Å; F1416-V1420 HydrophobicContact CD2-CG2 3.74Å; F1416-V1420 HydrophobicContact CE2-CB 3.84Å; F1416-V1420 HydrophobicContact CE2-CG1 3.95Å; F1416-V1420 HydrophobicContact CE2-CG2 3.74Å; F1416-V1420 HydrophobicContact CZ-CB 4.32Å; F1416-V1420 HydrophobicContact CZ-CG1 4.16Å; F1416-V1420 WeakPolarHBondContact O-CB 3.37Å; F1416-V1420 PolarHBondContact O-N 3.41Å; V1420-W1455 HydrophobicContact CG1-CB 3.77Å; V1420-W1455 HydrophobicContact CG1-CD2 4.31Å; V1420-W1455 HydrophobicContact CG1-CG 3.67Å; V1420-W1455 HydrophobicContact CG2-CD2 4.42Å; V1420-W1455 HydrophobicContact CG2-CG 4.13Å; V1420-M1464 HydrophobicContact CG2-CE 3.99Å; V1420-M1464 HydrophobicContact CG2-SD 4.33Å; V1420-L1465 HydrophobicContact CG2-CD1 4.5Å; V1420-L1465 HydrophobicContact CG2-CD2 4.26Å
1421L91.9Very high92.2Very high1 Ų139.9 Ų39.91%0.00524%0.236CC..Iπ-helixtrans-92.3-20.7-170.9-73.8178.3000115.5R1377 F1416 G1417 M1423 V1428 P1448 R1451 L1452R1377-L1421 PolarHBondContact NH2-O 3.46Å; F1416-L1421 HydrophobicContact CD1-CD1 4.26Å; F1416-L1421 HydrophobicContact CE1-CD1 3.84Å; F1416-L1421 HydrophobicContact CE1-CG 4.2Å; F1416-L1421 PolarHBondContact O-N 3.5Å; G1417-L1421 CarbonylContact O-C 3.54Å; L1421-M1423 HydrophobicContact CB-CB 4.14Å; L1421-M1423 HydrophobicContact CB-CG 4.14Å; L1421-M1423 HydrophobicContact CB-SD 4.47Å; L1421-M1423 WeakPolarHBondContact O-CG 3.24Å; L1421-M1423 PolarHBondContact O-N 2.95Å; L1421-V1428 HydrophobicContact CD1-CB 4.42Å; L1421-V1428 HydrophobicContact CD1-CG1 4.12Å; L1421-V1428 HydrophobicContact CD1-CG2 3.82Å; L1421-P1448 HydrophobicContact CD2-CB 4.23Å; L1421-R1451 HydrophobicContact CD2-CB 4.13Å; L1421-L1452 HydrophobicContact CD1-CD2 4.04Å; L1421-L1452 HydrophobicContact CD2-CD2 3.9Å; L1421-L1452 HydrophobicContact CD2-CG 4.14Å; L1421-L1452 HydrophobicContact CG-CD2 4.16Å
1422G87.7Confident92.2Very high41 Ų4139.9 Ų39.942%0.42324%0.236SC..  trans5732.6-171.200000112.6G1417 D1418G1417-G1422 CarbonylContact O-C 3.58Å; G1417-G1422 WeakPolarHBondContact O-CA 2.95Å; G1417-G1422 PolarHBondContact O-N 3.47Å; D1418-G1422 PolarHBondContact O-N 2.94Å
1423M89.4Confident92.1Very high60 Ų6040.1 Ų40.130%0.29624%0.238SC..SBendtrans-127.5149.8-174.8-64.9-174.896.700110.7G1417 L1421 V1428 I1431 P1448G1417-M1423 CarbonylContact C-O 3.54Å; G1417-M1423 WeakPolarHBondContact CA-O 3.34Å; G1417-M1423 PolarHBondContact O-N 3.32Å; G1417-M1423 VanDerWaalsContact O-O 3.1Å; L1421-M1423 HydrophobicContact CB-CB 4.14Å; L1421-M1423 HydrophobicContact CB-CG 4.14Å; L1421-M1423 HydrophobicContact CB-SD 4.47Å; L1421-M1423 WeakPolarHBondContact O-CG 3.24Å; L1421-M1423 PolarHBondContact O-N 2.95Å; M1423-V1428 HydrophobicContact CB-CG2 4.12Å; M1423-I1431 HydrophobicContact CE-CD1 4.03Å; M1423-I1431 HydrophobicContact SD-CD1 3.76Å; M1423-P1448 HydrophobicContact SD-CB 4.15Å
1424C89.1Confident91.9Very high68 Ų6844.4 Ų44.446%0.45926%0.256SS..  trans-68.1152175.277.60000111.4A1426 S1427 V1428C1424-A1426 PolarHBondContact O-N 3.01Å; C1424-S1427 PolarHBondContact O-N 3.36Å; C1424-S1427 PolarHBondContact SG-OG 2.95Å; C1424-S1427 VanDerWaalsContact SG-OG 3.41Å; C1424-V1428 PolarHBondContact O-N 3.43Å; C1424-V1428 VanDerWaalsContact O-N 3.13Å
1425Q91Very high91.8Very high99 Ų9942.5 Ų42.546%0.46326%0.255SS..Hα-helixtrans-49.5-36-179.3-176.5-176.2-400113.6Q1413 R1414 V1428 S1429Q1413-Q1425 HydrophobicContact CB-CG 4.15Å; R1414-Q1425 HydrophobicContact CB-CB 4.31Å; R1414-Q1425 HydrophobicContact CB-CG 4.47Å; Q1425-V1428 PolarHBondContact O-N 2.83Å; Q1425-S1429 VanDerWaalsContact O-CB 3.31Å; Q1425-S1429 WeakPolarHBondContact O-CB 3.48Å; Q1425-S1429 PolarHBondContact O-N 3.33Å
1426A88.3Confident91.7Very high61 Ų6149.2 Ų49.250%0.50428%0.28SS..Hα-helixtrans-62.3-49.1177.700000111.7C1424 V1428 S1429 D1430C1424-A1426 PolarHBondContact O-N 3.01Å; A1426-V1428 VanDerWaalsContact C-N 3.33Å; A1426-V1428 PolarHBondContact O-N 3.14Å; A1426-S1429 PolarHBondContact O-N 2.93Å; A1426-D1430 PolarHBondContact O-N 3.35Å
1427S92.6Very high91.5Very high43 Ų4352.5 Ų52.530%0.30130%0.301SS..Hα-helixtrans-65.2-34.9177.9-52.60000112.9C1424 D1430 I1431C1424-S1427 PolarHBondContact O-N 3.36Å; C1424-S1427 PolarHBondContact SG-OG 2.95Å; C1424-S1427 VanDerWaalsContact SG-OG 3.41Å; S1427-D1430 PolarHBondContact O-N 2.88Å; S1427-I1431 WeakPolarHBondContact O-CB 3.42Å; S1427-I1431 WeakPolarHBondContact O-CG1 3.15Å; S1427-I1431 PolarHBondContact O-N 3.16Å
1428V94.8Very high91.5Very high0 Ų052.8 Ų52.80%030%0.302CS..Hα-helixtrans-64.4-46.7172.3179.40000110.7Q1413 F1416 G1417 L1421 M1423 C1424 Q1425 A1426 D1430 I1431 L1432Q1413-V1428 HydrophobicContact CB-CG1 4.18Å; Q1413-V1428 HydrophobicContact CG-CG1 4.29Å; F1416-V1428 HydrophobicContact CD1-CG1 4.02Å; G1417-V1428 VanDerWaalsContact CA-CG2 3.49Å; L1421-V1428 HydrophobicContact CD1-CB 4.42Å; L1421-V1428 HydrophobicContact CD1-CG1 4.12Å; L1421-V1428 HydrophobicContact CD1-CG2 3.82Å; M1423-V1428 HydrophobicContact CB-CG2 4.12Å; C1424-V1428 PolarHBondContact O-N 3.43Å; C1424-V1428 VanDerWaalsContact O-N 3.13Å; Q1425-V1428 PolarHBondContact O-N 2.83Å; A1426-V1428 VanDerWaalsContact C-N 3.33Å; A1426-V1428 PolarHBondContact O-N 3.14Å; V1428-D1430 VanDerWaalsContact C-N 3.33Å; V1428-D1430 PolarHBondContact O-N 2.95Å; V1428-I1431 PolarHBondContact O-N 3.34Å; V1428-L1432 HydrophobicContact CG1-CD1 3.83Å; V1428-L1432 HydrophobicContact CG1-CG 4.38Å; V1428-L1432 WeakPolarHBondContact O-CB 3.5Å; V1428-L1432 WeakPolarHBondContact O-CG 3.49Å; V1428-L1432 PolarHBondContact O-N 3.49Å
1429S95.1Very high91.6Very high50 Ų5054.2 Ų54.235%0.3532%0.316SS..Hα-helixtrans-63-39.6177.1-173.50000111.6Q1425 A1426 S1433Q1425-S1429 VanDerWaalsContact O-CB 3.31Å; Q1425-S1429 WeakPolarHBondContact O-CB 3.48Å; Q1425-S1429 PolarHBondContact O-N 3.33Å; A1426-S1429 PolarHBondContact O-N 2.93Å; S1429-S1433 WeakPolarHBondContact O-CB 3.11Å; S1429-S1433 PolarHBondContact O-N 3.01Å; S1429-S1433 PolarHBondContact O-OG 3.13Å
1430D94.1Very high91.6Very high71 Ų7157.4 Ų57.438%0.3833%0.328SS..Hα-helixtrans-63.4-45.8174.5-81.9-48.5000111.2A1426 S1427 V1428 S1433 K1434A1426-D1430 PolarHBondContact O-N 3.35Å; S1427-D1430 PolarHBondContact O-N 2.88Å; V1428-D1430 VanDerWaalsContact C-N 3.33Å; V1428-D1430 PolarHBondContact O-N 2.95Å; D1430-S1433 PolarHBondContact O-N 3.26Å; D1430-K1434 WeakPolarHBondContact O-CA 3.43Å; D1430-K1434 WeakPolarHBondContact O-CB 3.37Å; D1430-K1434 PolarHBondContact O-N 2.91Å; D1430-K1434 IonicContact OD1-NZ 3.17Å; D1430-K1434 PolarHBondContact OD1-NZ 2.87Å
1431I94.6Very high91.6Very high22 Ų2257.7 Ų57.711%0.11333%0.329CS..Hα-helixtrans-62.1-45.1176.6-73.3164.8000111.8M1423 S1427 V1428 S1433 T1435 P1448 Y1449 L1452M1423-I1431 HydrophobicContact CE-CD1 4.03Å; M1423-I1431 HydrophobicContact SD-CD1 3.76Å; S1427-I1431 WeakPolarHBondContact O-CB 3.42Å; S1427-I1431 WeakPolarHBondContact O-CG1 3.15Å; S1427-I1431 PolarHBondContact O-N 3.16Å; V1428-I1431 PolarHBondContact O-N 3.34Å; I1431-S1433 VanDerWaalsContact C-N 3.3Å; I1431-S1433 PolarHBondContact O-N 3.03Å; I1431-T1435 VanDerWaalsContact O-CG2 3.3Å; I1431-T1435 WeakPolarHBondContact O-CG2 3.45Å; I1431-P1448 HydrophobicContact CD1-CB 3.83Å; I1431-P1448 HydrophobicContact CD1-CG 4.03Å; I1431-Y1449 HydrophobicContact CG2-CE1 4.11Å; I1431-L1452 HydrophobicContact CG2-CD1 4.11Å
1432L94.7Very high91.6Very high6 Ų661.4 Ų61.43%0.03136%0.355CS..THydrogen-bonded Turntrans-81.2-0.6-178.7-63178.2000114.4C1399 I1402 L1406 Q1413 V1428 L1452C1399-L1432 HydrophobicContact CB-CD2 3.81Å; I1402-L1432 HydrophobicContact CB-CD2 4.44Å; I1402-L1432 HydrophobicContact CG2-CD2 4.22Å; L1406-L1432 HydrophobicContact CD1-CD1 3.98Å; Q1413-L1432 HydrophobicContact CG-CD1 4.47Å; V1428-L1432 HydrophobicContact CG1-CD1 3.83Å; V1428-L1432 HydrophobicContact CG1-CG 4.38Å; V1428-L1432 WeakPolarHBondContact O-CB 3.5Å; V1428-L1432 WeakPolarHBondContact O-CG 3.49Å; V1428-L1432 PolarHBondContact O-N 3.49Å; L1432-L1452 HydrophobicContact CD2-CD1 4.44Å
1433S90.7Very high91.6Very high68 Ų6862.9 Ų62.948%0.47635%0.353SS..THydrogen-bonded Turntrans-123.3-19.8176.265.50000114.7S1429 D1430 I1431S1429-S1433 WeakPolarHBondContact O-CB 3.11Å; S1429-S1433 PolarHBondContact O-N 3.01Å; S1429-S1433 PolarHBondContact O-OG 3.13Å; D1430-S1433 PolarHBondContact O-N 3.26Å; I1431-S1433 VanDerWaalsContact C-N 3.3Å; I1431-S1433 PolarHBondContact O-N 3.03Å
1434K89.2Confident91.5Very high137 Ų13766.5 Ų66.560%0.59637%0.367SS*.SBendtrans-128.351.1179.3-58.1164.1-170.2161.20109D1430 R1436D1430-K1434 WeakPolarHBondContact O-CA 3.43Å; D1430-K1434 WeakPolarHBondContact O-CB 3.37Å; D1430-K1434 PolarHBondContact O-N 2.91Å; D1430-K1434 IonicContact OD1-NZ 3.17Å; D1430-K1434 PolarHBondContact OD1-NZ 2.87Å; K1434-R1436 PolarHBondContact O-N 2.8Å
1435T91.9Very high91.6Very high52 Ų5265.1 Ų65.132%0.31936%0.361SS..PPolyproline II helixtrans-54.2118.7178.249.60000109.9C1399 I1431C1399-T1435 HydrophobicContact CB-CG2 3.33Å; I1431-T1435 VanDerWaalsContact O-CG2 3.3Å; I1431-T1435 WeakPolarHBondContact O-CG2 3.45Å
1436R90.6Very high91.8Very high154 Ų15462.2 Ų62.258%0.58135%0.346SS*.PPolyproline II helixtrans-97.1135.8176.3-75.2-179172.8-113.6-3.5109.7T1395 K1434 L1441 Y1449T1395-R1436 WeakPolarHBondContact CB-O 3.49Å; T1395-R1436 PolarHBondContact OG1-O 3.27Å; K1434-R1436 PolarHBondContact O-N 2.8Å; R1436-L1441 HydrophobicContact CB-CD2 3.84Å; R1436-L1441 HydrophobicContact CB-CG 4.32Å; R1436-Y1449 PolarHBondContact N-OH 2.94Å
1437P91.6Very high92Very high69 Ų6960.7 Ų60.745%0.44833%0.328SS..PPolyproline II helixtrans-60.2146.3176.826.6-34.5000111.3T1395 S1439 H1440T1395-P1437 WeakPolarHBondContact OG1-CA 3.48Å; P1437-S1439 VanDerWaalsContact C-N 3.29Å; P1437-S1439 PolarHBondContact O-N 2.99Å; P1437-H1440 HydrophobicContact CG-CB 4.15Å; P1437-H1440 PolarHBondContact O-N 2.89Å
1438W94Very high92.1Very high5 Ų559.4 Ų59.42%0.01932%0.319CS..G310 helixtrans-55-38.7-173.2-177.2-105.9000114.8L1390 T1391 L1393 T1395 H1440 L1441 R1446 V1450L1390-W1438 HydrophobicContact CB-CH2 4.1Å; L1390-W1438 HydrophobicContact CB-CZ2 3.55Å; L1390-W1438 HydrophobicContact CD1-CH2 4.34Å; L1390-W1438 VanDerWaalsContact O-CZ2 3.3Å; L1390-W1438 WeakPolarHBondContact O-CZ2 3.42Å; L1390-W1438 PolarHBondContact O-NE1 3.37Å; T1391-W1438 PolarHBondContact O-NE1 2.9Å; L1393-W1438 HydrophobicContact CB-CD2 3.77Å; L1393-W1438 HydrophobicContact CB-CE3 3.78Å; L1393-W1438 HydrophobicContact CB-CG 4.12Å; L1393-W1438 HydrophobicContact CB-CZ3 4.2Å; L1393-W1438 HydrophobicContact CD2-CE3 3.81Å; L1393-W1438 HydrophobicContact CD2-CH2 4.31Å; L1393-W1438 HydrophobicContact CD2-CZ3 3.62Å; L1393-W1438 HydrophobicContact CG-CE3 4.42Å; L1393-W1438 WeakPolarHBondContact O-CB 3.24Å; T1395-W1438 HydrophobicContact CG2-CB 4.19Å; T1395-W1438 HydrophobicContact CG2-CE3 3.99Å; W1438-H1440 PolarHBondContact O-N 2.99Å; W1438-L1441 HydrophobicContact CE3-CD1 4.32Å; W1438-L1441 PolarHBondContact O-N 3.26Å; W1438-L1441 VanDerWaalsContact O-N 3.16Å; W1438-R1446 HydrophobicContact CD2-CG 4.27Å; W1438-R1446 HydrophobicContact CE3-CB 4.41Å; W1438-R1446 HydrophobicContact CE3-CG 3.94Å; W1438-R1446 HydrophobicContact CH2-CB 3.72Å; W1438-R1446 HydrophobicContact CH2-CG 3.81Å; W1438-R1446 HydrophobicContact CZ2-CB 4.42Å; W1438-R1446 HydrophobicContact CZ2-CG 4.11Å; W1438-R1446 HydrophobicContact CZ3-CB 3.7Å; W1438-R1446 HydrophobicContact CZ3-CG 3.71Å; W1438-R1446 PolarHBondContact O-NH2 2.87Å; W1438-V1450 HydrophobicContact CH2-CG2 3.7Å; W1438-V1450 HydrophobicContact CZ3-CG2 4.17Å
1439S90.5Very high92.1Very high82 Ų8259.8 Ų59.857%0.57332%0.321SS*.G310 helixtrans-58.6-29.4174.352.80000113.8P1437P1437-S1439 VanDerWaalsContact C-N 3.29Å; P1437-S1439 PolarHBondContact O-N 2.99Å
1440H89.5Confident92.1Very high112 Ų11257.4 Ų57.452%0.51930%0.304SS..G310 helixtrans-97.818.1-179.1-62.461000112.7P1437 W1438P1437-H1440 HydrophobicContact CG-CB 4.15Å; P1437-H1440 PolarHBondContact O-N 2.89Å; W1438-H1440 PolarHBondContact O-N 2.99Å
1441L91.5Very high92.1Very high11 Ų1155.1 Ų55.16%0.05829%0.29CS..  trans-114.9123.4175.7-64.8174.5000110.4T1395 R1436 W1438 A1445 R1446 Y1449T1395-L1441 HydrophobicContact CG2-CD1 4.12Å; R1436-L1441 HydrophobicContact CB-CD2 3.84Å; R1436-L1441 HydrophobicContact CB-CG 4.32Å; W1438-L1441 HydrophobicContact CE3-CD1 4.32Å; W1438-L1441 PolarHBondContact O-N 3.26Å; W1438-L1441 VanDerWaalsContact O-N 3.16Å; L1441-A1445 HydrophobicContact CB-CB 4.3Å; L1441-A1445 HydrophobicContact CD2-CB 3.88Å; L1441-R1446 HydrophobicContact CB-CG 3.58Å; L1441-R1446 HydrophobicContact CD1-CG 4.34Å; L1441-R1446 PolarHBondContact O-NE 3.02Å; L1441-Y1449 HydrophobicContact CD1-CD2 3.4Å; L1441-Y1449 VanDerWaalsContact CD1-CD2 3.4Å; L1441-Y1449 HydrophobicContact CD1-CE2 3.42Å; L1441-Y1449 VanDerWaalsContact CD1-CE2 3.42Å; L1441-Y1449 HydrophobicContact CD1-CG 4.05Å; L1441-Y1449 HydrophobicContact CD2-CE2 3.89Å; L1441-Y1449 HydrophobicContact CG-CE2 4.33Å
1442S91.8Very high92.1Very high79 Ų7954 Ų5455%0.55229%0.285SS*.  trans-67.5158.5165.366.30000111.1K1444 A1445 R1446S1442-K1444 PolarHBondContact O-N 2.92Å; S1442-A1445 CarbonylContact O-C 3.48Å; S1442-A1445 WeakPolarHBondContact O-CA 3.37Å; S1442-A1445 WeakPolarHBondContact O-CB 3.36Å; S1442-A1445 PolarHBondContact O-N 2.84Å; S1442-R1446 WeakPolarHBondContact O-CG 3.24Å; S1442-R1446 PolarHBondContact O-N 3.32Å
1443N88.5Confident92.1Very high72 Ų7255.7 Ų55.739%0.38529%0.292SS..Hα-helixtrans-53.8-34.5-175.5-55.722.4000112.6T1388 R1446 I1447T1388-N1443 PolarHBondContact OG1-ND2 2.97Å; N1443-R1446 PolarHBondContact O-N 3.1Å; N1443-I1447 PolarHBondContact O-N 2.74Å
1444K88.2Confident92.3Very high136 Ų13653.2 Ų53.259%0.59127%0.273SS*.Hα-helixtrans-70.3-31.3174.5-165.5169.3-169.5167.40113.7S1190 S1442 I1447S1190-K1444 PolarHBondContact OG-NZ 3.45Å; S1442-K1444 PolarHBondContact O-N 2.92Å; K1444-I1447 HydrophobicContact CG-CD1 4.33Å
1445A91.5Very high92.5Very high38 Ų3846.7 Ų46.731%0.31425%0.245SC..Hα-helixtrans-82.4-21174.700000113.1L1441 S1442 P1448 Y1449L1441-A1445 HydrophobicContact CB-CB 4.3Å; L1441-A1445 HydrophobicContact CD2-CB 3.88Å; S1442-A1445 CarbonylContact O-C 3.48Å; S1442-A1445 WeakPolarHBondContact O-CA 3.37Å; S1442-A1445 WeakPolarHBondContact O-CB 3.36Å; S1442-A1445 PolarHBondContact O-N 2.84Å; A1445-P1448 VanDerWaalsContact O-CD 3.31Å; A1445-P1448 WeakPolarHBondContact O-CD 2.99Å; A1445-P1448 WeakPolarHBondContact O-CG 3.28Å; A1445-Y1449 WeakPolarHBondContact O-CD2 3.18Å
1446R94.6Very high92.5Very high39 Ų3946.4 Ų46.415%0.14724%0.241CC..Hα-helixtrans-71.2-31.8172.4-68.9174.5-177.8-164.3-6.3113.3A1387 W1438 L1441 S1442 N1443 Y1449 V1450A1387-R1446 HydrophobicContact CB-CB 3.93Å; A1387-R1446 WeakPolarHBondContact O-CD 3.19Å; A1387-R1446 PolarHBondContact O-NH1 3.25Å; W1438-R1446 HydrophobicContact CD2-CG 4.27Å; W1438-R1446 HydrophobicContact CE3-CB 4.41Å; W1438-R1446 HydrophobicContact CE3-CG 3.94Å; W1438-R1446 HydrophobicContact CH2-CB 3.72Å; W1438-R1446 HydrophobicContact CH2-CG 3.81Å; W1438-R1446 HydrophobicContact CZ2-CB 4.42Å; W1438-R1446 HydrophobicContact CZ2-CG 4.11Å; W1438-R1446 HydrophobicContact CZ3-CB 3.7Å; W1438-R1446 HydrophobicContact CZ3-CG 3.71Å; W1438-R1446 PolarHBondContact O-NH2 2.87Å; L1441-R1446 HydrophobicContact CB-CG 3.58Å; L1441-R1446 HydrophobicContact CD1-CG 4.34Å; L1441-R1446 PolarHBondContact O-NE 3.02Å; S1442-R1446 WeakPolarHBondContact O-CG 3.24Å; S1442-R1446 PolarHBondContact O-N 3.32Å; N1443-R1446 PolarHBondContact O-N 3.1Å; R1446-Y1449 WeakPolarHBondContact O-CA 3.41Å; R1446-Y1449 WeakPolarHBondContact O-CB 3.37Å; R1446-Y1449 PolarHBondContact O-N 3.13Å; R1446-V1450 PolarHBondContact O-N 2.98Å
1447I93.1Very high92.5Very high28 Ų2844.5 Ų44.514%0.14424%0.239CC..Hα-helixtrans-39.7-52.8179.2-69.8171.6000115V1383 M1384 N1443 K1444 V1450 R1451V1383-I1447 HydrophobicContact CG1-CB 4.37Å; V1383-I1447 HydrophobicContact CG1-CG1 4.5Å; V1383-I1447 HydrophobicContact CG1-CG2 3.88Å; M1384-I1447 HydrophobicContact CE-CD1 3.79Å; N1443-I1447 PolarHBondContact O-N 2.74Å; K1444-I1447 HydrophobicContact CG-CD1 4.33Å; I1447-V1450 PolarHBondContact O-N 3.1Å; I1447-R1451 PolarHBondContact O-N 2.9Å; I1447-R1451 VanDerWaalsContact O-N 3.15Å
1448P93.6Very high92.4Very high16 Ų1644.7 Ų44.710%0.10423%0.234CC..Hα-helixtrans-63.6-40.7177.123-33.9000112.8L1421 M1423 I1431 A1445 R1451 L1452L1421-P1448 HydrophobicContact CD2-CB 4.23Å; M1423-P1448 HydrophobicContact SD-CB 4.15Å; I1431-P1448 HydrophobicContact CD1-CB 3.83Å; I1431-P1448 HydrophobicContact CD1-CG 4.03Å; A1445-P1448 VanDerWaalsContact O-CD 3.31Å; A1445-P1448 WeakPolarHBondContact O-CD 2.99Å; A1445-P1448 WeakPolarHBondContact O-CG 3.28Å; P1448-R1451 WeakPolarHBondContact O-CB 3.15Å; P1448-R1451 PolarHBondContact O-N 3.1Å; P1448-L1452 WeakPolarHBondContact O-CG 3.49Å; P1448-L1452 PolarHBondContact O-N 2.92Å
1449Y95.8Very high91.4Very high9 Ų949.9 Ų49.94%0.03527%0.268CS..Hα-helixtrans-66.9-35.8178.4-64.5-89.1000112.2T1395 M1398 I1431 R1436 L1441 A1445 R1446 R1451 L1452 H1453T1395-Y1449 HydrophobicContact CG2-CD1 3.48Å; T1395-Y1449 VanDerWaalsContact CG2-CD1 3.48Å; T1395-Y1449 HydrophobicContact CG2-CE1 3.91Å; T1395-Y1449 HydrophobicContact CG2-CG 3.87Å; M1398-Y1449 HydrophobicContact CE-CD1 3.73Å; M1398-Y1449 HydrophobicContact CE-CG 4.3Å; M1398-Y1449 WeakPolarHBondContact CE-O 3.42Å; I1431-Y1449 HydrophobicContact CG2-CE1 4.11Å; R1436-Y1449 PolarHBondContact N-OH 2.94Å; L1441-Y1449 HydrophobicContact CD1-CD2 3.4Å; L1441-Y1449 VanDerWaalsContact CD1-CD2 3.4Å; L1441-Y1449 HydrophobicContact CD1-CE2 3.42Å; L1441-Y1449 VanDerWaalsContact CD1-CE2 3.42Å; L1441-Y1449 HydrophobicContact CD1-CG 4.05Å; L1441-Y1449 HydrophobicContact CD2-CE2 3.89Å; L1441-Y1449 HydrophobicContact CG-CE2 4.33Å; A1445-Y1449 WeakPolarHBondContact O-CD2 3.18Å; R1446-Y1449 WeakPolarHBondContact O-CA 3.41Å; R1446-Y1449 WeakPolarHBondContact O-CB 3.37Å; R1446-Y1449 PolarHBondContact O-N 3.13Å; Y1449-R1451 VanDerWaalsContact C-N 3.32Å; Y1449-R1451 PolarHBondContact O-N 3.1Å; Y1449-L1452 HydrophobicContact CD1-CD1 4.38Å; Y1449-L1452 WeakPolarHBondContact O-CB 3.47Å; Y1449-L1452 PolarHBondContact O-N 2.94Å; Y1449-H1453 WeakPolarHBondContact O-CB 3.35Å; Y1449-H1453 PolarHBondContact O-N 3.26Å
1450V95Very high91.1Very high0 Ų051 Ų510%027%0.268CS..Hα-helixtrans-62.6-38.9170.9175.60000111.7V1383 L1386 A1387 L1390 W1438 R1446 I1447 H1453 L1454V1383-V1450 HydrophobicContact CB-CG1 4.47Å; V1383-V1450 HydrophobicContact CG1-CB 4.19Å; V1383-V1450 HydrophobicContact CG1-CG1 4.04Å; L1386-V1450 HydrophobicContact CB-CG1 3.66Å; L1386-V1450 HydrophobicContact CD1-CG1 4.27Å; A1387-V1450 HydrophobicContact CB-CG2 3.91Å; L1390-V1450 HydrophobicContact CD1-CG2 4.21Å; W1438-V1450 HydrophobicContact CH2-CG2 3.7Å; W1438-V1450 HydrophobicContact CZ3-CG2 4.17Å; R1446-V1450 PolarHBondContact O-N 2.98Å; I1447-V1450 PolarHBondContact O-N 3.1Å; V1450-H1453 PolarHBondContact O-N 3.22Å; V1450-L1454 HydrophobicContact CG1-CD1 3.99Å; V1450-L1454 HydrophobicContact CG1-CG 4.43Å; V1450-L1454 WeakPolarHBondContact O-CB 3.43Å; V1450-L1454 WeakPolarHBondContact O-CG 3.28Å; V1450-L1454 PolarHBondContact O-N 3.27Å
1451R94.3Very high91Very high22 Ų2247.3 Ų47.38%0.08325%0.251CS..Hα-helixtrans-67.9-35.4174.9-73.7169.2165.9159.10.6112.6R1377 V1383 L1421 I1447 P1448 Y1449 W1455R1377-R1451 VanDerWaalsContact NH2-CZ 3.35Å; V1383-R1451 HydrophobicContact CG1-CG 3.9Å; V1383-R1451 HydrophobicContact CG2-CG 4.01Å; L1421-R1451 HydrophobicContact CD2-CB 4.13Å; I1447-R1451 PolarHBondContact O-N 2.9Å; I1447-R1451 VanDerWaalsContact O-N 3.15Å; P1448-R1451 WeakPolarHBondContact O-CB 3.15Å; P1448-R1451 PolarHBondContact O-N 3.1Å; Y1449-R1451 VanDerWaalsContact C-N 3.32Å; Y1449-R1451 PolarHBondContact O-N 3.1Å; R1451-W1455 WeakPolarHBondContact O-CB 3.31Å; R1451-W1455 PolarHBondContact O-N 3.19Å
1452L94.5Very high90.9Very high0 Ų047.7 Ų47.70%025%0.253CS..Hα-helixtrans-64.2-41171-68.3-178.1000111.8M1398 C1399 I1402 F1416 L1421 I1431 L1432 P1448 Y1449 L1456M1398-L1452 HydrophobicContact CE-CB 3.57Å; M1398-L1452 HydrophobicContact CE-CD1 3.92Å; M1398-L1452 HydrophobicContact CE-CG 4.38Å; M1398-L1452 HydrophobicContact SD-CB 3.83Å; C1399-L1452 WeakPolarHBondContact SG-CD1 3.35Å; I1402-L1452 HydrophobicContact CD1-CB 3.54Å; I1402-L1452 HydrophobicContact CD1-CD1 4.27Å; I1402-L1452 HydrophobicContact CD1-CD2 3.67Å; I1402-L1452 HydrophobicContact CD1-CG 4Å; I1402-L1452 HydrophobicContact CG2-CD2 4.38Å; F1416-L1452 HydrophobicContact CE1-CD2 3.64Å; F1416-L1452 HydrophobicContact CZ-CD2 3.47Å; F1416-L1452 VanDerWaalsContact CZ-CD2 3.47Å; L1421-L1452 HydrophobicContact CD1-CD2 4.04Å; L1421-L1452 HydrophobicContact CD2-CD2 3.9Å; L1421-L1452 HydrophobicContact CD2-CG 4.14Å; L1421-L1452 HydrophobicContact CG-CD2 4.16Å; I1431-L1452 HydrophobicContact CG2-CD1 4.11Å; L1432-L1452 HydrophobicContact CD2-CD1 4.44Å; P1448-L1452 WeakPolarHBondContact O-CG 3.49Å; P1448-L1452 PolarHBondContact O-N 2.92Å; Y1449-L1452 HydrophobicContact CD1-CD1 4.38Å; Y1449-L1452 WeakPolarHBondContact O-CB 3.47Å; Y1449-L1452 PolarHBondContact O-N 2.94Å; L1452-L1456 PolarHBondContact O-N 3.37Å; L1452-L1456 VanDerWaalsContact O-N 3.11Å
1453H94.3Very high90.7Very high41 Ų4149 Ų4919%0.1925%0.25CS..Hα-helixtrans-66.6-51.2179.2-179.350.9000112.1L1393 M1398 Y1449 V1450 W1455 L1456 Q1457L1393-H1453 HydrophobicContact CD1-CB 4.19Å; L1393-H1453 HydrophobicContact CD2-CB 4.22Å; M1398-H1453 VanDerWaalsContact SD-CA 3.59Å; M1398-H1453 HydrophobicContact SD-CB 3.71Å; M1398-H1453 PolarHBondContact SD-N 3.33Å; M1398-H1453 VanDerWaalsContact SD-N 3.42Å; Y1449-H1453 WeakPolarHBondContact O-CB 3.35Å; Y1449-H1453 PolarHBondContact O-N 3.26Å; V1450-H1453 PolarHBondContact O-N 3.22Å; H1453-W1455 VanDerWaalsContact C-N 3.32Å; H1453-W1455 PolarHBondContact O-N 3.29Å; H1453-L1456 PolarHBondContact O-N 2.9Å; H1453-Q1457 PolarHBondContact CE1-NE2 2.87Å; H1453-Q1457 PolarHBondContact NE2-NE2 3.29Å; H1453-Q1457 VanDerWaalsContact NE2-NE2 3.17Å; H1453-Q1457 WeakPolarHBondContact O-CG 3.48Å; H1453-Q1457 PolarHBondContact O-N 2.77Å
1454L93.5Very high90.5Very high15 Ų1546.4 Ų46.48%0.07924%0.236CC..Hα-helixtrans-59.3-42.5176.2-72.8168.9000111.7P1378 V1383 L1386 V1450 L1456 Q1457P1378-L1454 HydrophobicContact CB-CD1 3.84Å; P1378-L1454 HydrophobicContact CG-CB 4.36Å; P1378-L1454 HydrophobicContact CG-CD1 4.07Å; V1383-L1454 HydrophobicContact CG2-CD1 4.13Å; L1386-L1454 HydrophobicContact CD1-CD1 4.03Å; L1386-L1454 HydrophobicContact CD1-CD2 3.84Å; L1386-L1454 HydrophobicContact CD1-CG 4.23Å; V1450-L1454 HydrophobicContact CG1-CD1 3.99Å; V1450-L1454 HydrophobicContact CG1-CG 4.43Å; V1450-L1454 WeakPolarHBondContact O-CB 3.43Å; V1450-L1454 WeakPolarHBondContact O-CG 3.28Å; V1450-L1454 PolarHBondContact O-N 3.27Å; L1454-L1456 VanDerWaalsContact C-N 3.34Å; L1454-L1456 PolarHBondContact O-N 3.23Å; L1454-Q1457 WeakPolarHBondContact O-CB 3.24Å; L1454-Q1457 PolarHBondContact O-N 3.04Å
1455W93.4Very high90.6Very high0 Ų040 Ų400%021%0.208CC..Hα-helixtrans-61.9-40.3177.3179.570.2000112.3Y1375 I1402 L1405 F1416 V1420 R1451 H1453 Q1457 E1458 H1461 L1462 L1465Y1375-W1455 AromaticContact CZ-CD1 3.84Å; I1402-W1455 HydrophobicContact CB-CZ3 4.46Å; I1402-W1455 HydrophobicContact CD1-CE3 4.16Å; I1402-W1455 HydrophobicContact CD1-CZ3 4.36Å; I1402-W1455 HydrophobicContact CG1-CE3 4.24Å; I1402-W1455 HydrophobicContact CG1-CZ3 3.96Å; I1402-W1455 HydrophobicContact CG2-CZ3 4Å; L1405-W1455 HydrophobicContact CD1-CZ3 4.48Å; F1416-W1455 HydrophobicContact CD2-CH2 4.48Å; F1416-W1455 HydrophobicContact CD2-CZ2 4.39Å; F1416-W1455 AromaticContact CE2-CD2 3.76Å; F1416-W1455 HydrophobicContact CE2-CD2 3.76Å; F1416-W1455 AromaticContact CE2-CE2 3.85Å; F1416-W1455 AromaticContact CE2-CE3 3.68Å; F1416-W1455 HydrophobicContact CE2-CE3 3.68Å; F1416-W1455 AromaticContact CE2-CH2 3.86Å; F1416-W1455 HydrophobicContact CE2-CH2 3.86Å; F1416-W1455 AromaticContact CE2-CZ2 3.93Å; F1416-W1455 HydrophobicContact CE2-CZ2 3.93Å; F1416-W1455 AromaticContact CE2-CZ3 3.73Å; F1416-W1455 HydrophobicContact CE2-CZ3 3.73Å; F1416-W1455 HydrophobicContact CZ-CD2 4.41Å; F1416-W1455 HydrophobicContact CZ-CE3 4.03Å; F1416-W1455 HydrophobicContact CZ-CZ3 4.19Å; V1420-W1455 HydrophobicContact CG1-CB 3.77Å; V1420-W1455 HydrophobicContact CG1-CD2 4.31Å; V1420-W1455 HydrophobicContact CG1-CG 3.67Å; V1420-W1455 HydrophobicContact CG2-CD2 4.42Å; V1420-W1455 HydrophobicContact CG2-CG 4.13Å; R1451-W1455 WeakPolarHBondContact O-CB 3.31Å; R1451-W1455 PolarHBondContact O-N 3.19Å; H1453-W1455 VanDerWaalsContact C-N 3.32Å; H1453-W1455 PolarHBondContact O-N 3.29Å; W1455-Q1457 PolarHBondContact O-N 3.34Å; W1455-E1458 PolarHBondContact O-N 2.91Å; W1455-H1461 HydrophobicContact CD2-CB 4.26Å; W1455-H1461 AromaticContact CE2-CD2 3.96Å; W1455-H1461 HydrophobicContact CG-CB 4.37Å; W1455-H1461 AromaticContact CH2-CD2 3.66Å; W1455-H1461 HydrophobicContact CZ2-CB 4.21Å; W1455-H1461 AromaticContact CZ2-CD2 3.53Å; W1455-H1461 WeakPolarHBondContact CZ2-O 3.09Å; W1455-H1461 PolarHBondContact NE1-O 3.12Å; W1455-H1461 WeakPolarHBondContact O-CB 3.31Å; W1455-L1462 HydrophobicContact CH2-CD1 4.49Å; W1455-L1465 HydrophobicContact CH2-CD1 4.23Å; W1455-L1465 HydrophobicContact CZ2-CD1 3.4Å
1456L93.2Very high90.5Very high47 Ų4743.3 Ų43.325%0.24622%0.215CC..Hα-helixtrans-68.7-15.7174.2-80175.2000114.7M1398 I1402 L1405 L1452 H1453 L1454M1398-L1456 HydrophobicContact CG-CD1 3.56Å; I1402-L1456 HydrophobicContact CD1-CD1 3.73Å; I1402-L1456 HydrophobicContact CD1-CD2 4.42Å; I1402-L1456 HydrophobicContact CD1-CG 3.81Å; I1402-L1456 HydrophobicContact CG1-CD1 3.72Å; I1402-L1456 HydrophobicContact CG1-CD2 3.83Å; I1402-L1456 HydrophobicContact CG1-CG 3.77Å; L1405-L1456 HydrophobicContact CD1-CD2 3.74Å; L1452-L1456 PolarHBondContact O-N 3.37Å; L1452-L1456 VanDerWaalsContact O-N 3.11Å; H1453-L1456 PolarHBondContact O-N 2.9Å; L1454-L1456 VanDerWaalsContact C-N 3.34Å; L1454-L1456 PolarHBondContact O-N 3.23Å
1457Q91.2Very high90.1Very high113 Ų11343.7 Ų43.753%0.52823%0.227SC..Hα-helixtrans-88.1-12.7179.8-74.9171.7-33.500113.2H1453 L1454 W1455H1453-Q1457 PolarHBondContact CE1-NE2 2.87Å; H1453-Q1457 PolarHBondContact NE2-NE2 3.29Å; H1453-Q1457 VanDerWaalsContact NE2-NE2 3.17Å; H1453-Q1457 WeakPolarHBondContact O-CG 3.48Å; H1453-Q1457 PolarHBondContact O-N 2.77Å; L1454-Q1457 WeakPolarHBondContact O-CB 3.24Å; L1454-Q1457 PolarHBondContact O-N 3.04Å; W1455-Q1457 PolarHBondContact O-N 3.34Å
1458E87.8Confident89.6Confident73 Ų7343.3 Ų43.334%0.34123%0.228SC..SBendtrans-85.6135.1-179.9-70.9177.9-109.400110.8Y1375 W1455 D1460 H1461Y1375-E1458 WeakPolarHBondContact CE2-OE1 3.4Å; Y1375-E1458 WeakPolarHBondContact CE2-OE2 3.46Å; Y1375-E1458 PolarHBondContact OH-OE1 3.13Å; W1455-E1458 PolarHBondContact O-N 2.91Å; E1458-D1460 PolarHBondContact O-N 3.4Å; E1458-H1461 HydrophobicContact CB-CB 4.29Å; E1458-H1461 WeakPolarHBondContact O-CB 3.48Å; E1458-H1461 PolarHBondContact O-N 3.41Å; E1458-H1461 PolarHBondContact O-ND1 3.03Å
1459P74.8Confident89.3Confident115 Ų11544 Ų4475%0.74723%0.23SC*.THydrogen-bonded Turntrans-59.1-46.5-172.221.4-31.9000111.7
1460D83.9Confident88.6Confident106 Ų10645.8 Ų45.857%0.56725%0.246SC*.THydrogen-bonded Turntrans-104.729.6-175.6-56.7-70.1000113.1E1458 L1462 E1463E1458-D1460 PolarHBondContact O-N 3.4Å; D1460-L1462 PolarHBondContact O-N 3.13Å; D1460-E1463 HydrophobicContact CB-CB 4.23Å; D1460-E1463 PolarHBondContact O-N 2.87Å
1461H86.6Confident87.8Confident33 Ų3349.5 Ų49.515%0.15327%0.266CS..THydrogen-bonded Turntrans-47.9-28.5-179.362.3-95.4000114.7W1455 E1458 M1464W1455-H1461 HydrophobicContact CD2-CB 4.26Å; W1455-H1461 AromaticContact CE2-CD2 3.96Å; W1455-H1461 HydrophobicContact CG-CB 4.37Å; W1455-H1461 AromaticContact CH2-CD2 3.66Å; W1455-H1461 HydrophobicContact CZ2-CB 4.21Å; W1455-H1461 AromaticContact CZ2-CD2 3.53Å; W1455-H1461 WeakPolarHBondContact CZ2-O 3.09Å; W1455-H1461 PolarHBondContact NE1-O 3.12Å; W1455-H1461 WeakPolarHBondContact O-CB 3.31Å; E1458-H1461 HydrophobicContact CB-CB 4.29Å; E1458-H1461 WeakPolarHBondContact O-CB 3.48Å; E1458-H1461 PolarHBondContact O-N 3.41Å; E1458-H1461 PolarHBondContact O-ND1 3.03Å; H1461-M1464 WeakPolarHBondContact O-CE 3.35Å
1462L90Very high86.8Confident20 Ų2051.9 Ų51.911%0.10528%0.28CS..THydrogen-bonded Turntrans-87.4-26.7-179-157.582.7000113.7H1409 I1411 W1455 D1460 L1465 K1466H1409-L1462 HydrophobicContact CB-CD1 4.46Å; H1409-L1462 HydrophobicContact CB-CD2 4.23Å; H1409-L1462 WeakPolarHBondContact CD2-CD2 3.5Å; I1411-L1462 HydrophobicContact CD1-CD1 3.55Å; I1411-L1462 HydrophobicContact CD1-CG 4.05Å; W1455-L1462 HydrophobicContact CH2-CD1 4.49Å; D1460-L1462 PolarHBondContact O-N 3.13Å; L1462-L1465 PolarHBondContact O-N 2.93Å; L1462-K1466 PolarHBondContact O-N 3.37Å; L1462-K1466 VanDerWaalsContact O-N 3.09Å
1463E87Confident85.3Confident107 Ų10758 Ų5850%0.531%0.306SS..Hα-helixtrans-68.1-46.3-173.5-172.1177.1-126.500111.6D1460 L1465 K1466 A1467D1460-E1463 HydrophobicContact CB-CB 4.23Å; D1460-E1463 PolarHBondContact O-N 2.87Å; E1463-L1465 PolarHBondContact O-N 3.28Å; E1463-L1465 VanDerWaalsContact O-N 3.15Å; E1463-K1466 CarbonylContact O-C 3.59Å; E1463-K1466 WeakPolarHBondContact O-CA 3.4Å; E1463-K1466 WeakPolarHBondContact O-CB 3.32Å; E1463-K1466 PolarHBondContact O-N 3.45Å; E1463-A1467 PolarHBondContact O-N 3.12Å
1464M84.5Confident83.3Confident17 Ų1760.5 Ų60.58%0.08433%0.325CS..Hα-helixtrans-42.4-48.1167.6172.8-134.7-2100112.7Y1375 V1419 V1420 H1461 A1467 A1468Y1375-M1464 VanDerWaalsContact CB-CG 3.4Å; Y1375-M1464 HydrophobicContact CD1-CE 3.52Å; Y1375-M1464 HydrophobicContact CD1-SD 3.63Å; Y1375-M1464 HydrophobicContact CD2-CE 3.39Å; Y1375-M1464 HydrophobicContact CD2-SD 4.25Å; Y1375-M1464 HydrophobicContact CE1-CE 3.79Å; Y1375-M1464 HydrophobicContact CE1-SD 4.36Å; Y1375-M1464 HydrophobicContact CE2-CE 3.63Å; Y1375-M1464 HydrophobicContact CG-CB 4.44Å; Y1375-M1464 HydrophobicContact CG-CE 3.35Å; Y1375-M1464 HydrophobicContact CG-CG 3.95Å; Y1375-M1464 HydrophobicContact CG-SD 3.6Å; V1419-M1464 HydrophobicContact CB-SD 4.22Å; V1419-M1464 HydrophobicContact CG1-CG 4.29Å; V1419-M1464 HydrophobicContact CG1-SD 3.33Å; V1419-M1464 WeakPolarHBondContact CG1-SD 3.49Å; V1420-M1464 HydrophobicContact CG2-CE 3.99Å; V1420-M1464 HydrophobicContact CG2-SD 4.33Å; H1461-M1464 WeakPolarHBondContact O-CE 3.35Å; M1464-A1467 PolarHBondContact O-N 3.32Å; M1464-A1468 WeakPolarHBondContact O-CB 3.47Å; M1464-A1468 PolarHBondContact O-N 2.93Å
1465L90.5Very high81Confident0 Ų064.8 Ų64.80%034%0.343CS..Hα-helixtrans-73.1-34.3-177.4-67.7172.1000111.8I1411 L1415 F1416 V1419 V1420 W1455 L1462 E1463 Q1469I1411-L1465 HydrophobicContact CD1-CB 3.9Å; I1411-L1465 HydrophobicContact CD1-CD1 4.15Å; I1411-L1465 HydrophobicContact CG2-CB 4.19Å; I1411-L1465 HydrophobicContact CG2-CD1 4.23Å; L1415-L1465 HydrophobicContact CG-CD2 4.42Å; F1416-L1465 HydrophobicContact CD2-CD1 3.75Å; F1416-L1465 HydrophobicContact CE2-CD1 4.41Å; V1419-L1465 HydrophobicContact CB-CD2 4.32Å; V1420-L1465 HydrophobicContact CG2-CD1 4.5Å; V1420-L1465 HydrophobicContact CG2-CD2 4.26Å; W1455-L1465 HydrophobicContact CH2-CD1 4.23Å; W1455-L1465 HydrophobicContact CZ2-CD1 3.4Å; L1462-L1465 PolarHBondContact O-N 2.93Å; E1463-L1465 PolarHBondContact O-N 3.28Å; E1463-L1465 VanDerWaalsContact O-N 3.15Å; L1465-Q1469 WeakPolarHBondContact O-CB 3.47Å; L1465-Q1469 PolarHBondContact O-N 2.88Å
1466K88.7Confident78.4Confident109 Ų10969.8 Ų69.847%0.47437%0.373SS..Hα-helixtrans-63.1-45.8170.8-68171.9-179.3169.30110.9L1462 E1463 Q1469 A1470L1462-K1466 PolarHBondContact O-N 3.37Å; L1462-K1466 VanDerWaalsContact O-N 3.09Å; E1463-K1466 CarbonylContact O-C 3.59Å; E1463-K1466 WeakPolarHBondContact O-CA 3.4Å; E1463-K1466 WeakPolarHBondContact O-CB 3.32Å; E1463-K1466 PolarHBondContact O-N 3.45Å; K1466-Q1469 PolarHBondContact O-N 2.99Å; K1466-A1470 WeakPolarHBondContact O-CB 3.32Å; K1466-A1470 PolarHBondContact O-N 3.02Å
1467A86Confident75.3Confident46 Ų4676.6 Ų76.638%0.3840%0.396SS..Hα-helixtrans-61.2-49.7176.600000111.4E1463 M1464 Q1469 A1470 N1471E1463-A1467 PolarHBondContact O-N 3.12Å; M1464-A1467 PolarHBondContact O-N 3.32Å; A1467-Q1469 VanDerWaalsContact C-N 3.26Å; A1467-Q1469 PolarHBondContact O-N 2.97Å; A1467-A1470 PolarHBondContact O-N 3.29Å; A1467-N1471 WeakPolarHBondContact O-CB 3.39Å; A1467-N1471 VanDerWaalsContact O-CG 3.25Å; A1467-N1471 PolarHBondContact O-N 2.97Å; A1467-N1471 PolarHBondContact O-ND2 3.22Å
1468A83.8Confident72.4Confident20 Ų2076.9 Ų76.917%0.16541%0.408CS..Hα-helixtrans-62.2-31.7175.300000112.9L1415 M1464 I1472L1415-A1468 HydrophobicContact CD1-CB 3.99Å; L1415-A1468 HydrophobicContact CD2-CB 4.31Å; M1464-A1468 WeakPolarHBondContact O-CB 3.47Å; M1464-A1468 PolarHBondContact O-N 2.93Å; A1468-I1472 WeakPolarHBondContact O-CG1 3.4Å; A1468-I1472 PolarHBondContact O-N 3.31Å
1469Q86.1Confident69.6Low31 Ų3179.1 Ų79.115%0.14542%0.422CS..Hα-helixtrans-76-36.1175.2-167.3176.21000112.5S1410 L1415 L1465 K1466 A1467 I1472 K1473S1410-Q1469 PolarHBondContact O-NE2 2.79Å; L1415-Q1469 HydrophobicContact CD2-CB 3.63Å; L1415-Q1469 HydrophobicContact CD2-CG 4.23Å; L1465-Q1469 WeakPolarHBondContact O-CB 3.47Å; L1465-Q1469 PolarHBondContact O-N 2.88Å; K1466-Q1469 PolarHBondContact O-N 2.99Å; A1467-Q1469 VanDerWaalsContact C-N 3.26Å; A1467-Q1469 PolarHBondContact O-N 2.97Å; Q1469-I1472 PolarHBondContact O-N 3.17Å; Q1469-K1473 VanDerWaalsContact O-CG 3.28Å; Q1469-K1473 WeakPolarHBondContact O-CG 3.33Å; Q1469-K1473 PolarHBondContact O-N 3.46Å; Q1469-K1473 VanDerWaalsContact O-N 3.1Å
1470A82.4Confident67.4Low47 Ų4778.2 Ų78.239%0.38842%0.418SS..Hα-helixtrans-64-45.3172.700000110.7K1466 A1467 I1472 K1473 T1474K1466-A1470 WeakPolarHBondContact O-CB 3.32Å; K1466-A1470 PolarHBondContact O-N 3.02Å; A1467-A1470 PolarHBondContact O-N 3.29Å; A1470-I1472 VanDerWaalsContact C-N 3.27Å; A1470-I1472 PolarHBondContact O-N 2.95Å; A1470-K1473 WeakPolarHBondContact O-CA 3.22Å; A1470-K1473 WeakPolarHBondContact O-CB 3.47Å; A1470-K1473 PolarHBondContact O-N 2.65Å; A1470-T1474 PolarHBondContact O-N 3.35Å; A1470-T1474 PolarHBondContact O-OG1 3.06Å
1471N78.1Confident64.8Low77 Ų7780.5 Ų80.541%0.41243%0.431SS..Hα-helixtrans-55.4-36174.6-79.5-11.6000113.7I1259 A1467 T1474I1259-N1471 HydrophobicContact CD1-CB 3.37Å; I1259-N1471 HydrophobicContact CG1-CB 4.26Å; A1467-N1471 WeakPolarHBondContact O-CB 3.39Å; A1467-N1471 VanDerWaalsContact O-CG 3.25Å; A1467-N1471 PolarHBondContact O-N 2.97Å; A1467-N1471 PolarHBondContact O-ND2 3.22Å; N1471-T1474 PolarHBondContact O-OG1 2.79Å
1472I72.9Confident62.2Low72 Ų7285.5 Ų85.537%0.36946%0.463SS..Hα-helixtrans-79-30.5174.6-67.5167000112L1415 A1468 Q1469 A1470 T1476L1415-I1472 HydrophobicContact CD1-CD1 3.68Å; A1468-I1472 WeakPolarHBondContact O-CG1 3.4Å; A1468-I1472 PolarHBondContact O-N 3.31Å; Q1469-I1472 PolarHBondContact O-N 3.17Å; A1470-I1472 VanDerWaalsContact C-N 3.27Å; A1470-I1472 PolarHBondContact O-N 2.95Å; I1472-T1476 PolarHBondContact O-OG1 3.08Å
1473K62.2Low59.4Low128 Ų12893.3 Ų93.356%0.55750%0.496SS*.Hα-helixtrans-70.5-39177-75.4167.3177174.20112.3Q1469 A1470 F1475 T1476Q1469-K1473 VanDerWaalsContact O-CG 3.28Å; Q1469-K1473 WeakPolarHBondContact O-CG 3.33Å; Q1469-K1473 PolarHBondContact O-N 3.46Å; Q1469-K1473 VanDerWaalsContact O-N 3.1Å; A1470-K1473 WeakPolarHBondContact O-CA 3.22Å; A1470-K1473 WeakPolarHBondContact O-CB 3.47Å; A1470-K1473 PolarHBondContact O-N 2.65Å; K1473-F1475 PolarHBondContact O-N 3.34Å; K1473-T1476 PolarHBondContact O-N 2.79Å; K1473-T1476 PolarHBondContact O-OG1 3.42Å
1474T52.4Low56.5Low94 Ų9494.9 Ų94.958%0.57751%0.507SS*.Hα-helixtrans-62.5-42.6177.451.60000111.5A1470 N1471 T1476A1470-T1474 PolarHBondContact O-N 3.35Å; A1470-T1474 PolarHBondContact O-OG1 3.06Å; N1471-T1474 PolarHBondContact O-OG1 2.79Å; T1474-T1476 PolarHBondContact O-N 3.3Å
1475F46.6Very low53.9Low106 Ų106101.7 Ų101.747%0.46554%0.542SS..THydrogen-bonded Turntrans-75.43.6176.9-87.7-83000115.9I1258 I1259 K1473I1258-F1475 HydrophobicContact CB-CB 4.49Å; I1258-F1475 HydrophobicContact CB-CD1 3.83Å; I1258-F1475 HydrophobicContact CB-CE1 4.26Å; I1258-F1475 HydrophobicContact CB-CG 4.1Å; I1258-F1475 HydrophobicContact CD1-CD1 4.33Å; I1258-F1475 HydrophobicContact CG2-CD1 3.49Å; I1258-F1475 VanDerWaalsContact CG2-CD1 3.49Å; I1258-F1475 HydrophobicContact CG2-CE1 3.41Å; I1258-F1475 VanDerWaalsContact CG2-CE1 3.41Å; I1258-F1475 HydrophobicContact CG2-CG 4.15Å; I1258-F1475 HydrophobicContact CG2-CZ 4.02Å; I1258-F1475 WeakPolarHBondContact O-CD2 3.42Å; I1258-F1475 VanDerWaalsContact O-CG 3.26Å; I1258-F1475 WeakPolarHBondContact O-CG 3.34Å; I1259-F1475 HydrophobicContact CD1-CD2 4.28Å; I1259-F1475 HydrophobicContact CD1-CE2 4.18Å; I1259-F1475 HydrophobicContact CG1-CD2 3.79Å; I1259-F1475 HydrophobicContact CG1-CE2 3.73Å; K1473-F1475 PolarHBondContact O-N 3.34Å
1476T37.6Very low50.8Low104 Ų104110.4 Ų110.464%0.63858%0.583SS**THydrogen-bonded Turntrans-118.77.3178.5430000115.1I1472 K1473 T1474I1472-T1476 PolarHBondContact O-OG1 3.08Å; K1473-T1476 PolarHBondContact O-N 2.79Å; K1473-T1476 PolarHBondContact O-OG1 3.42Å; T1474-T1476 PolarHBondContact O-N 3.3Å
1477R29.1Very low47.9Very low190 Ų190108.5 Ų108.572%0.71759%0.594SS**  trans-96.2116.7175.3-147.1-178.9-160.6-134.512.5111.3N1479R1477-N1479 VanDerWaalsContact C-N 3.34Å; R1477-N1479 PolarHBondContact NH1-OD1 2.91Å; R1477-N1479 PolarHBondContact O-N 2.85Å
1478P29.1Very low45.2Very low120 Ų120114.2 Ų114.278%0.77961%0.612SS**  trans-77.185.9171.531.6-32.6000109.3S1480P1478-S1480 PolarHBondContact O-N 3.05Å
1479N29.9Very low42.6Very low119 Ų119122.5 Ų122.564%0.63665%0.648SS**  trans-72.288.5178-107.526.8000110.7R1477R1477-N1479 VanDerWaalsContact C-N 3.34Å; R1477-N1479 PolarHBondContact NH1-OD1 2.91Å; R1477-N1479 PolarHBondContact O-N 2.85Å
1480S28.9Very low39.9Very low96 Ų96127 Ų12767%0.67168%0.677SS**  trans-76.1139.2154.252.20000109.6P1478P1478-S1480 PolarHBondContact O-N 3.05Å
1481N27.6Very low37.2Very low155 Ų155130.3 Ų130.383%0.82970%0.698SS**  trans66.886.4173.5-54.3-21.9000117.2
1482V32.3Very low34.9Very low138 Ų138133.6 Ų133.684%0.83672%0.72SS**  -133.1136.7122.6178.20000107.5
1483K32.2Very low32.7Very low183 Ų183137.2 Ų137.280%0.79674%0.739SS**  trans-98.9134.6170.7-111.5-172.3176.9-177.30108.6
1484I26.2Very low31Very low141 Ų141139.2 Ų139.272%0.72375%0.75SS**  trans49.6105.8151-38168.8000116
1485I29Very low30.1Very low159 Ų159139.1 Ų139.182%0.81574%0.743SS**  -172.2115.2104.9-84.4157.2000105.8
1486Q25.9Very low29.3Very low184 Ų184138.5 Ų138.586%0.8674%0.742SS**  trans-152.9106.2157.2-144.4169.93.200107
1487G28.2Very low28.9Very low69 Ų69138.8 Ų138.871%0.71174%0.736SS**  trans-69.9131.6165.900000108.4
1488H28.6Very low28.9Very low165 Ų165134.8 Ų134.876%0.76473%0.726SS**  trans-69.6161.1143.7-70.2-150.2000106.3
1489E29.9Very low29Very low195 Ų195138 Ų13891%0.91173%0.73SS**  -144.4144.677.8-86.9157.3-163.400112.7
1490T29.2Very low28.8Very low124 Ų124138.2 Ų138.276%0.76174%0.736SS**  trans-89.7134166.245.30000109.8
1491S24.3Very low28.8Very low118 Ų118139 Ų13983%0.82574%0.736SS**  trans-42.2145.1-176.5-450000117.3
1492T30.3Very low28.8Very low145 Ų145138 Ų13889%0.8973%0.732SS**  trans-122.1145.3154.4-48.70000108.7
1493I26.8Very low28.7Very low149 Ų149139.7 Ų139.776%0.76474%0.735SS**  trans-110.8135.3-168.5-63.6168.7000111.6
1494Q27.2Very low28.4Very low169 Ų169135.8 Ų135.879%0.7973%0.731SS**  trans177141.7137.5-96.3166.516.200106.8
1495H32.5Very low28.5Very low92 Ų92133.6 Ų133.643%0.42673%0.728SS.*  cis-166.2177.141.2-133.7-61000110.4H1132H1132-H1495 VanDerWaalsContact CE1-CB 3.49Å; H1132-H1495 WeakPolarHBondContact CE1-CB 3.36Å; H1132-H1495 AromaticContact CE1-CD2 3.5Å; H1132-H1495 AromaticContact CE1-CG 3.45Å; H1132-H1495 VanDerWaalsContact CE1-CG 3.45Å; H1132-H1495 AromaticContact CE1-ND1 3.96Å; H1132-H1495 PolarHBondContact N-CE1 2.95Å; H1132-H1495 AromaticContact ND1-CD2 3.14Å; H1132-H1495 PolarHBondContact ND1-CD2 2.84Å; H1132-H1495 AromaticContact ND1-CE1 3.41Å; H1132-H1495 PolarHBondContact ND1-CE1 2.86Å; H1132-H1495 AromaticContact ND1-CG 3.3Å; H1132-H1495 VanDerWaalsContact ND1-CG 3.3Å; H1132-H1495 AromaticContact ND1-ND1 3.46Å; H1132-H1495 PolarHBondContact ND1-ND1 3.18Å; H1132-H1495 AromaticContact ND1-NE2 3.16Å; H1132-H1495 PolarHBondContact ND1-NE2 3.42Å; H1132-H1495 VanDerWaalsContact ND1-NE2 3.16Å
1496Q30.4Very low28.5Very low93 Ų93132.6 Ų132.644%0.43572%0.72SS.*  trans82108.1154.5-144.389.8151.900118.4V1131 H1132V1131-Q1496 HydrophobicContact CG2-CG 4.35Å; H1132-Q1496 VanDerWaalsContact CD2-CD 3.45Å; H1132-Q1496 PolarHBondContact CD2-NE2 3.45Å; H1132-Q1496 PolarHBondContact CD2-OE1 2.94Å; H1132-Q1496 PolarHBondContact CE1-NE2 2.84Å; H1132-Q1496 PolarHBondContact ND1-NE2 3.47Å; H1132-Q1496 PolarHBondContact NE2-NE2 3.43Å
1497Q28.5Very low28.6Very low110 Ų110130.8 Ų130.851%0.51471%0.706SS.*  trans-91.7163143.888.6-104.323.300108.8D1129 T1130D1129-Q1497 PolarHBondContact OD1-NE2 3.33Å; T1130-Q1497 HydrophobicContact CG2-CB 4.12Å; T1130-Q1497 VanDerWaalsContact CG2-CD 3.46Å; T1130-Q1497 HydrophobicContact CG2-CG 3.64Å; T1130-Q1497 WeakPolarHBondContact CG2-O 3.36Å; T1130-Q1497 VanDerWaalsContact CG2-OE1 3.3Å; T1130-Q1497 VanDerWaalsContact OG1-CG 3.27Å; T1130-Q1497 WeakPolarHBondContact OG1-CG 3.27Å; T1130-Q1497 PolarHBondContact OG1-NE2 2.91Å; T1130-Q1497 VanDerWaalsContact OG1-NE2 3.09Å
1498Q29.8Very low28.5Very low107 Ų107131.9 Ų131.950%0.570%0.695SS.*  176.6134.475.3-168.5-172.95.900108.3D1129D1129-Q1498 PolarHBondContact OD2-NE2 3.47Å
1499Q32.3Very low28.4Very low186 Ų186130 Ų13087%0.86969%0.69SS**  trans167.9150.8133.2-95.2-176.9-4.300111.8
1500T25Very low28.2Very low125 Ų125124.8 Ų124.877%0.76768%0.675SS**  trans-79.1163.917045.60000109.6
1501T29.4Very low28.3Very low111 Ų111126.1 Ų126.168%0.68168%0.676SS**  -158.616251.142.50000114.7
1502D25.9Very low28.6Very low136 Ų136130 Ų13073%0.72767%0.673SS**  trans47.8102.8143-51.8-17.1000121
1503L30.3Very low28.7Very low172 Ų172126 Ų12690%0.90165%0.649SS**  -176133.792-95.1165.9000114.8
1504S27.8Very low28.8Very low102 Ų102127.8 Ų127.871%0.71365%0.654SS**  trans-34.3131.7179.8-56.90000122.6
1505S28.1Very low28.9Very low94 Ų94124.8 Ų124.866%0.65765%0.652SS**  86.3116113.4-63.90000124.8
1506E28.4Very low28.7Very low139 Ų139125 Ų12565%0.6566%0.663SS**  86.1107114.3-63.9-114.3120.700124.7N1362N1362-E1506 VanDerWaalsContact O-O 3.11Å
1507Y28.1Very low28.6Very low146 Ų146127.4 Ų127.457%0.57368%0.68SS**  80.4106.3122.9-81.1-90.7000126.6N1362 N1363N1362-Y1507 CarbonylContact C-O 3.57Å; N1362-Y1507 VanDerWaalsContact C-O 3.29Å; N1363-Y1507 VanDerWaalsContact C-C 3.48Å; N1363-Y1507 PolarHBondContact N-O 3.08Å; N1363-Y1507 CarbonylContact O-C 3.56Å; N1363-Y1507 WeakPolarHBondContact O-CA 3.5Å; N1363-Y1507 PolarHBondContact O-N 3.38Å
1508L26.5Very low28.6Very low91 Ų91127.9 Ų127.948%0.47669%0.689SS.*BIsolated β-bridgetrans77177.8146.7-78.8172000123.7N1362 N1363N1362-L1508 CarbonylContact C-O 3.54Å; N1363-L1508 PolarHBondContact N-O 3.38Å; N1363-L1508 PolarHBondContact O-N 3.16Å
1509L26.1Very low28.5Very low125 Ų125127.7 Ų127.765%0.65469%0.691SS**  trans-114.3143.7-139.1-79.1161000115.3
1510S25.4Very low28.3Very low86 Ų86123.5 Ų123.560%0.60167%0.674SS**  trans71113.5133.5-174.80000122.8
1511I30.4Very low28.5Very low153 Ų153120.7 Ų120.779%0.78566%0.659SS**  trans64.4132.1136.3-61.6175.8000117.8
1512R32.4Very low28.7Very low200 Ų200120.5 Ų120.576%0.75566%0.662SS**  cis-159.1176.3-2.1-128.5179.7-177.5169-0.3108.8
1513P31.7Very low28.8Very low61 Ų61120.5 Ų120.540%0.39666%0.662SS.*  -147179.1117.338-22.9000116.2N1357N1357-P1513 HydrophobicContact CB-CB 3.72Å; N1357-P1513 HydrophobicContact CB-CG 4.32Å
1514E28.5Very low28.8Very low185 Ų185118.9 Ų118.986%0.86465%0.653SS**  trans-88.4166.4171.6-46.8-176.1137.200110.3
1515S28.4Very low29.2Very low107 Ų107125.8 Ų125.875%0.74866%0.664SS**  cis-146-154.618.957.40000109.6
1516S28.7Very low29.3Very low95 Ų95125.9 Ų125.966%0.66467%0.665SS**  cis-160.3168.28.322.30000112.2
1517D28.4Very low29.4Very low145 Ų145127.5 Ų127.578%0.77567%0.67SS**  trans45.4109.3152.4-60.6-36.4000124.6
1518V28.6Very low29.6Very low119 Ų119127.4 Ų127.472%0.72168%0.675SS**  79.3101.1122.7178.70000120.5
1519I27.7Very low29.7Very low104 Ų104129.1 Ų129.153%0.53368%0.68SS.*  trans78.484.7137.8-67.8177.4000119.3S1530I1519-S1530 VanDerWaalsContact CG2-OG 3.23Å; I1519-S1530 WeakPolarHBondContact CG2-OG 3.39Å; I1519-S1530 PolarHBondContact O-OG 3.21Å
1520I28.5Very low29.9Very low98 Ų98125.5 Ų125.550%0.50367%0.665SS.*  69.5155.3125.9-61.1162.6000114.5H1529I1520-H1529 VanDerWaalsContact O-CA 3.25Å; I1520-H1529 WeakPolarHBondContact O-CA 3.39Å; I1520-H1529 PolarHBondContact O-N 3.15Å; I1520-H1529 PolarHBondContact O-ND1 2.67Å
1521S28.6Very low30.1Very low65 Ų65125 Ų12546%0.45566%0.661SS.*  cis-135.6-176.224.8-140.40000115.8H1529S1521-H1529 VanDerWaalsContact CB-C 3.46Å
1522S35.1Very low30.2Very low107 Ų107123.2 Ų123.275%0.74866%0.663SS**  trans-118106164.957.10000111.5
1523D28Very low30.1Very low136 Ų136118.7 Ų118.773%0.72766%0.662SS**  -153.9169.8128.7-142.6-31.2000110
1524L28.5Very low30.1Very low138 Ų138123.1 Ų123.172%0.72368%0.68SS**SBendtrans40.697164.9-67.4170.7000117.3S1526L1524-S1526 CarbonylContact O-C 3.54Å; L1524-S1526 PolarHBondContact O-N 3.31Å
1525R37.5Very low30.2Very low247 Ų247118.5 Ų118.593%0.93267%0.674SS**SBendtrans43.458.8136.4-165.6176.9172.8173.9-3114.7
1526S29.2Very low30.3Very low97 Ų97120 Ų12068%0.67867%0.672SS**SBendtrans79.8128.7-175.482.10000116.5L1524L1524-S1526 CarbonylContact O-C 3.54Å; L1524-S1526 PolarHBondContact O-N 3.31Å
1527K31.4Very low30.5Very low173 Ų173120.9 Ų120.975%0.75267%0.673SS**  trans88.4117.8162.9-57.9176.2179.7178.60119.2
1528Q31.1Very low30.7Very low144 Ų144120.3 Ų120.367%0.67368%0.676SS**  trans91.1125.1135.6-68.3171.9-4500123
1529H30.3Very low30.8Very low127 Ų127118.1 Ų118.159%0.58867%0.67SS**  trans56106.6132.6-56.4-44.2000125.6I1520 S1521I1520-H1529 VanDerWaalsContact O-CA 3.25Å; I1520-H1529 WeakPolarHBondContact O-CA 3.39Å; I1520-H1529 PolarHBondContact O-N 3.15Å; I1520-H1529 PolarHBondContact O-ND1 2.67Å; S1521-H1529 VanDerWaalsContact CB-C 3.46Å
1530S30.4Very low31Very low48 Ų48119.2 Ų119.234%0.33668%0.681SS.*  68.683.7118.4-45.10000123.5I1519I1519-S1530 VanDerWaalsContact CG2-OG 3.23Å; I1519-S1530 WeakPolarHBondContact CG2-OG 3.39Å; I1519-S1530 PolarHBondContact O-OG 3.21Å
1531S29.7Very low31.5Very low75 Ų75121.2 Ų121.252%0.52470%0.698SS.*  trans60.8141.9135.9-620000123
1532S32.5Very low31.7Very low117 Ų117124.2 Ų124.282%0.81871%0.714SS**  trans62.9155.9158.248.60000118.9
1533S29.6Very low31.7Very low105 Ų105125.5 Ų125.573%0.73472%0.718SS**  cis-178160.3-33-101.40000108.9
1534I30.7Very low32.3Very low153 Ų153124.5 Ų124.579%0.78572%0.719SS**  trans74.9113.3163.5-60.7152.5000119.3I1536I1534-I1536 HydrophobicContact CG2-CD1 4.06Å
1535A32.2Very low32.5Very low89 Ų89124.1 Ų124.174%0.73673%0.727SS**  trans166.1104.2136.800000107.5
1536I30.5Very low32.5Very low139 Ų139123.5 Ų123.571%0.71373%0.725SS**  58.1114.359.5-44.5177.1000109.3I1534I1534-I1536 HydrophobicContact CG2-CD1 4.06Å
1537T31.7Very low32.7Very low112 Ų112127.9 Ų127.969%0.68773%0.732SS**  -168.5142.971.6-44.40000112.5
1538T32.4Very low32.8Very low134 Ų134130.6 Ų130.682%0.82274%0.738SS**  trans56.8148.1160.743.20000120.5
1539A32.2Very low32.9Very low73 Ų73129.6 Ų129.660%0.60374%0.741SS**  cis-164.9152.3-12.600000112.4
1540T31.8Very low33.1Very low126 Ų126128.8 Ų128.877%0.77375%0.748SS**  trans61.9150.3148.650.70000122.3
1541T37.8Very low33Very low140 Ų140131.2 Ų131.286%0.85977%0.765SS**  trans71112.1171.2660000117.3
1542T33.4Very low33.1Very low128 Ų128134.9 Ų134.979%0.78578%0.777SS**  trans-131.8177.5-174.750.30000111.9
1543T34.3Very low32.8Very low135 Ų135133.8 Ų133.883%0.82877%0.77SS**  trans86.2150.3-175.278.20000113.4
1544P40.3Very low32.9Very low115 Ų115133.8 Ų133.875%0.74777%0.77SS**  cis-143.4135.83339.5-18.5000120.3
1545S34.6Very low32.7Very low129 Ų129132 Ų13290%0.90277%0.77SS**  trans177145.7143.9-85.10000108.8
1546R35.9Very low32.9Very low234 Ų234133 Ų13388%0.88377%0.77SS**SBendcis-143.4106.213.5-177.7-171.6-168.2-166.75.1111.6
1547K34.7Very low32.7Very low189 Ų189131 Ų13182%0.82277%0.768SS**  trans50.2109.3159.3-65.2-175.3176.8-178.70121
1548R32.6Very low32.5Very low231 Ų231131.2 Ų131.287%0.87277%0.774SS**  61.6141.8128.4-63.8-169.9176173.8-2.7119.4
1549T33.6Very low32.3Very low122 Ų122129.8 Ų129.875%0.74877%0.77SS**  cis-161.4161.11.490000110
1550P33.9Very low32.2Very low111 Ų111133.4 Ų133.472%0.72178%0.778SS**  trans-102.1-175.7-178.540.8-35.6000114.7
1551S29.8Very low31.8Very low99 Ų99132 Ų13269%0.69277%0.772SS**  trans92146.215181.30000120.8
1552L31.2Very low31.5Very low151 Ų151131.1 Ų131.179%0.79176%0.762SS**  trans59.1111.2151.4-63.8161.9000117.6
1553S26.5Very low31.3Very low95 Ų95130.2 Ų130.266%0.66475%0.749SS**  90.2150.463.274.90000114.8
1554S31.1Very low31Very low105 Ų105131 Ų13173%0.73474%0.743SS**  trans59.2104.8170.849.20000119.3
1555S26.5Very low30.6Very low114 Ų114131.8 Ų131.880%0.79775%0.746SS**  18152.8114.7-51.60000120
1556P35.2Very low30.2Very low111 Ų111132.6 Ų132.672%0.72174%0.74SS**  cis-148.7173.730.940.8-19.5000120
1557S26.3Very low30Very low97 Ų97127.9 Ų127.968%0.67873%0.731SS**  trans64.6123.3139.362.50000123.8
1558S27.4Very low29.8Very low116 Ų116125.5 Ų125.581%0.81173%0.727SS**  trans75.1162.9141.383.40000117.7
1559S29.6Very low29.6Very low104 Ų104119.9 Ų119.973%0.72772%0.723SS**  cis-149177.614.368.60000116.1
1560L28.6Very low29.7Very low149 Ų149119.2 Ų119.278%0.7872%0.721SS**  trans-41.6158166.3-75.669.2000114.2
1561C25.1Very low29.8Very low97 Ų97121.4 Ų121.466%0.65573%0.725SS**  cis69.8116.349.6-170.70000115
1562N31.4Very low29.6Very low121 Ų121121.2 Ų121.265%0.64772%0.723SS**  trans64.9123.6157.9-65.62.2000123
1563Q29.3Very low29.3Very low110 Ų110120 Ų12051%0.51472%0.718SS.*  trans56.8110.5130.4-70.2178.7-97.600122.9
1564E27Very low29.6Very low150 Ų150123.5 Ų123.570%0.70172%0.721SS**  75.4149.4119.9-66.6178.6120.200122.5
1565T31.2Very low29.6Very low132 Ų132125.1 Ų125.181%0.8172%0.721SS**  trans67.5152.5175.269.30000117.3
1566L27.7Very low29.8Very low147 Ų147124.5 Ų124.577%0.7772%0.717SS**  -172156.7-54.2-110.8166.7000107.4
1567I30.6Very low30.1Very low134 Ų134128.5 Ų128.569%0.68772%0.723SS**  trans74.5108.8154.1-68.1160.4000118.7
1568N30.1Very low30.5Very low140 Ų140130.8 Ų130.875%0.74973%0.727SS**  trans66.187.6138.5-58.4-0.7000122.2
1569S28.8Very low30.7Very low113 Ų113133.1 Ų133.179%0.7973%0.73SS**  20.9136.6108.2-400000120.8
1570P37.2Very low30.6Very low108 Ų108137 Ų13770%0.70173%0.733SS**  trans-107.2149.5138.9-5.926.2000113.1
1571I35.2Very low30.7Very low157 Ų157137.4 Ų137.481%0.80574%0.735SS**  trans56.693.5133.8-59.9172.2000114.9
1572S25.8Very low30.9Very low94 Ų94138.1 Ų138.166%0.65773%0.732SS**  cis53.5118.342-145.50000110
1573N25.4Very low30.7Very low125 Ų125140.2 Ų140.267%0.66874%0.736SS**  cis-178.4-164.823.9-152.9-61000107.4
1574K31.8Very low30.7Very low169 Ų169140.1 Ų140.174%0.73575%0.747SS**  trans69.6145.8148.1-72.5158.3-169.2176.60116.8
1575N32.5Very low30.9Very low139 Ų139141 Ų14174%0.74375%0.751SS**  cis-128.8147.611.7-95.4-44.4000114.1
1576S30.3Very low30.8Very low102 Ų102141 Ų14171%0.71374%0.744SS**  trans-26.2123.3158.750.70000116.6
1577K41.1Very low30.8Very low194 Ų194140.6 Ų140.684%0.84374%0.742SS**  -118.5142.4129.4-86.4-172.1175.6179.10110.5
1578L34.5Very low30.9Very low146 Ų146142.2 Ų142.276%0.76475%0.751SS**SBendtrans-7.4139.3151.2-62.885.8000116
1579L31.1Very low30.9Very low165 Ų165140.7 Ų140.786%0.86475%0.751SS**  cis-126.1159.311.7-79.5170.7000113.9
1580K27.4Very low31.5Very low184 Ų184141 Ų14180%0.875%0.751SS**  trans-135.7165.2174.2-165.2-172.5-175.5-177.90105.5
1581I32.5Very low31.2Very low159 Ų159142.5 Ų142.582%0.81575%0.753SS**  trans73.3150.5171.4-55159.5000113
1582D28.3Very low31.1Very low112 Ų112140.4 Ų140.460%0.59974%0.743SS**  cis-163.6175.6-41-162.39.5000107.7
1583K26.8Very low31.5Very low165 Ų165142 Ų14272%0.71774%0.744SS**  trans-21.2127.5169-58.2152.5-161.273.20116.2
1584S28.8Very low31.8Very low107 Ų107142.1 Ų142.175%0.74875%0.745SS**  -167.6136.7114.7480000114.3
1585Q31.3Very low31.6Very low170 Ų170141.9 Ų141.979%0.79475%0.752SS**  trans53.5129.8136.7-67.6-172.55.400123.7
1586I29.1Very low31.5Very low130 Ų130144 Ų14467%0.66775%0.754SS**  81.1107.7128.1-68172.8000120.1
1587I27.9Very low31.3Very low140 Ų140146.2 Ų146.272%0.71876%0.757SS**  trans42.4110.7134.9-38.5172.1000119
1588L32.5Very low31Very low167 Ų167146 Ų14687%0.87476%0.756SS**  177.1147112.1-92.7173.9000111.4
1589S30.6Very low30.6Very low108 Ų108146.9 Ų146.976%0.75576%0.761SS**  trans-95.9165.2174.9-53.80000111.3
1590P42.6Very low30.6Very low121 Ų121143.2 Ų143.279%0.78676%0.755SS**  -143.9160.696.137.9-23.8000116.7
1591N30.6Very low30.6Very low139 Ų139139.1 Ų139.174%0.74375%0.75SS**  trans-12.5147.3153-62.4-1.7000117.1
1592N32.7Very low30.5Very low113 Ų113138.4 Ų138.460%0.60475%0.746SS**  cis-164-177.87.9-115.2-7.7000108.2
1593N34.2Very low30.4Very low127 Ų127139.5 Ų139.568%0.67975%0.752SS**  cis-160.3146.53.6-127.6-8.3000106.4
1594N31.3Very low30.4Very low127 Ų127138.6 Ų138.668%0.67976%0.755SS**  cis-156.5125.7-32.4-137.1-27.6000108
1595N27.1Very low30.5Very low164 Ų164138.7 Ų138.788%0.87776%0.756SS**  trans-159.262.2-175.1-146.5-6.7000114.8
1596K30Very low30.5Very low183 Ų183139 Ų13980%0.79676%0.757SS**  trans-167.9142.3164.9-99.3172.8-179.21780106.3
1597I27.5Very low30.4Very low149 Ų149140.3 Ų140.376%0.76476%0.764SS**  71.292.555.7-54.2176.6000114.5
1598K34.9Very low30.3Very low190 Ų190137.6 Ų137.683%0.82676%0.762SS**  trans56.3125.4145.5-62.7-173.4176.2-173.60122.6
1599N26Very low30.4Very low164 Ų164134.1 Ų134.188%0.87775%0.749SS**  trans179.3160.7133.4-85.3-18.7000107.3
1600A30.1Very low30.7Very low89 Ų89134 Ų13474%0.73674%0.739SS**  cis-121.3159.38.500000109.9
1601S28.7Very low30.1Very low98 Ų98134 Ų13469%0.68573%0.732SS**  cis76.7133.846-550000113.3
1602I28.8Very low30.4Very low144 Ų144136.1 Ų136.174%0.73874%0.738SS**  cis-157.5154.716.5-132.8160.7000114.2
1603N26.9Very low30.8Very low135 Ų135134.8 Ų134.872%0.72273%0.73SS**  trans69.6137.7160.6-68.6-0.3000124.5
1604N26.9Very low31.9Very low145 Ų145133.7 Ų133.778%0.77572%0.724SS**  trans6292.4146.6-62.43.6000122
1605S31.3Very low33.2Very low110 Ų110134 Ų13477%0.76972%0.722SS**  172.1155.1108.544.10000112.3
1606Q31.3Very low35.1Very low176 Ų176133.9 Ų133.982%0.82272%0.716SS**  trans50.9122.6169.2-70.6163.1-23.600118
1607I26.9Very low36.9Very low158 Ų158129.3 Ų129.381%0.8170%0.697SS**  cis80.3109.126.5-48.9174.6000114.7
1608A26.3Very low39Very low83 Ų83127.5 Ų127.569%0.68668%0.681SS**  trans63.5169.7162.500000117.4
1609P34.1Very low41Very low93 Ų93122.5 Ų122.560%0.60466%0.66SS**  cis-104.4179.2-17.7-2.426.3000111.7D1611P1609-D1611 HydrophobicContact CB-CB 4.01Å; P1609-D1611 WeakPolarHBondContact CB-OD2 3.4Å; P1609-D1611 VanDerWaalsContact CG-OD2 3.27Å; P1609-D1611 WeakPolarHBondContact CG-OD2 3.39Å
1610I36.8Very low43.2Very low106 Ų106117.4 Ų117.454%0.54464%0.637SS.*  cis6447.13.5-37.9178.4000116.5
1611D30Very low45.4Very low120 Ų120117.9 Ų117.964%0.64263%0.627SS**  trans-152.4108.3162.6-73.2-58000104.1P1609P1609-D1611 HydrophobicContact CB-CB 4.01Å; P1609-D1611 WeakPolarHBondContact CB-OD2 3.4Å; P1609-D1611 VanDerWaalsContact CG-OD2 3.27Å; P1609-D1611 WeakPolarHBondContact CG-OD2 3.39Å
1612H36.4Very low47.7Very low184 Ų184120.4 Ų120.485%0.85263%0.626SS**SBend-146.343.173.6-108-79.8000112.6
1613L40.4Very low50Low85 Ų85116.9 Ų116.945%0.44561%0.608SS.*SBendtrans-125.6112.8163.7-76.6172.7000107.1E1617 R1618 L1621L1613-E1617 WeakPolarHBondContact CA-OE2 3.17Å; L1613-E1617 HydrophobicContact CB-CB 4.41Å; L1613-E1617 HydrophobicContact CD2-CB 4.2Å; L1613-R1618 HydrophobicContact CB-CG 4.36Å; L1613-L1621 HydrophobicContact CD1-CD1 4.26Å
1614N57.8Low52.5Low105 Ų105115.3 Ų115.356%0.56160%0.599SS**  trans-59.2156.9-173.7-72.5-15.7000110.5H1616 E1617 R1618N1614-H1616 PolarHBondContact O-N 3.22Å; N1614-E1617 HydrophobicContact CB-CG 4.41Å; N1614-E1617 PolarHBondContact N-OE2 3.22Å; N1614-E1617 CarbonylContact O-C 3.54Å; N1614-E1617 WeakPolarHBondContact O-CA 3.27Å; N1614-E1617 WeakPolarHBondContact O-CB 3.14Å; N1614-E1617 PolarHBondContact O-N 2.95Å; N1614-R1618 PolarHBondContact O-N 2.94Å
1615E58.6Low54.8Low133 Ų133110.9 Ų110.962%0.62158%0.582SS**Hα-helixtrans-57.6-27.8177.1-169.364.7179.800111.6Q1619E1615-Q1619 WeakPolarHBondContact O-CB 3.43Å; E1615-Q1619 PolarHBondContact O-N 3.47Å
1616H66.6Low56.8Low162 Ų162111.3 Ų111.375%0.7557%0.57SS**Hα-helixtrans-69.7-28.5172.7-149.1-44.7000114N1614 S1620N1614-H1616 PolarHBondContact O-N 3.22Å; H1616-S1620 WeakPolarHBondContact O-CB 3.44Å; H1616-S1620 PolarHBondContact O-N 3.16Å
1617E69.2Low58.5Low86 Ų86105.4 Ų105.440%0.40255%0.552SS.*Hα-helixtrans-85.4-35.2174.5-65.5176.1107.500111.8L1613 N1614 S1620 L1621L1613-E1617 WeakPolarHBondContact CA-OE2 3.17Å; L1613-E1617 HydrophobicContact CB-CB 4.41Å; L1613-E1617 HydrophobicContact CD2-CB 4.2Å; N1614-E1617 HydrophobicContact CB-CG 4.41Å; N1614-E1617 PolarHBondContact N-OE2 3.22Å; N1614-E1617 CarbonylContact O-C 3.54Å; N1614-E1617 WeakPolarHBondContact O-CA 3.27Å; N1614-E1617 WeakPolarHBondContact O-CB 3.14Å; N1614-E1617 PolarHBondContact O-N 2.95Å; E1617-S1620 PolarHBondContact O-N 3.22Å; E1617-L1621 WeakPolarHBondContact O-CB 3.05Å; E1617-L1621 WeakPolarHBondContact O-CG 3.3Å; E1617-L1621 PolarHBondContact O-N 2.73Å
1618R71.1Confident60.5Low112 Ų11299.9 Ų99.942%0.42353%0.53SS..Hα-helixtrans-62.6-47.3168.9-69.1-175.8131.2-132.50110.9L1613 N1614 L1621 F1622L1613-R1618 HydrophobicContact CB-CG 4.36Å; N1614-R1618 PolarHBondContact O-N 2.94Å; R1618-L1621 PolarHBondContact O-N 3.09Å; R1618-F1622 WeakPolarHBondContact O-CB 3.47Å; R1618-F1622 PolarHBondContact O-N 2.9Å
1619Q77.2Confident62.6Low84 Ų8499.2 Ų99.239%0.39352%0.518SS..Hα-helixtrans-66.9-36.4174.3-172.758.334.300111.6E1615 F1622 D1623E1615-Q1619 WeakPolarHBondContact O-CB 3.43Å; E1615-Q1619 PolarHBondContact O-N 3.47Å; Q1619-F1622 PolarHBondContact O-N 2.86Å; Q1619-D1623 PolarHBondContact NE2-OD1 3.09Å; Q1619-D1623 PolarHBondContact NE2-OD2 3.34Å; Q1619-D1623 WeakPolarHBondContact O-CB 3.35Å; Q1619-D1623 PolarHBondContact O-N 3.36Å
1620S72.2Confident64.1Low57 Ų5798.1 Ų98.140%0.39951%0.509SS..Hα-helixtrans-61.9-46.3171.3-176.20000111.7H1616 E1617 F1622 D1623 I1624H1616-S1620 WeakPolarHBondContact O-CB 3.44Å; H1616-S1620 PolarHBondContact O-N 3.16Å; E1617-S1620 PolarHBondContact O-N 3.22Å; S1620-F1622 VanDerWaalsContact C-N 3.33Å; S1620-F1622 PolarHBondContact O-N 3.4Å; S1620-D1623 PolarHBondContact O-N 3.24Å; S1620-I1624 WeakPolarHBondContact O-CB 3.22Å; S1620-I1624 WeakPolarHBondContact O-CD1 3.47Å; S1620-I1624 WeakPolarHBondContact O-CG1 3.33Å; S1620-I1624 PolarHBondContact O-N 2.98Å
1621L75.7Confident65.4Low100 Ų10097.8 Ų97.852%0.52451%0.512SS..Hα-helixtrans-63.6-37.3174.2-79.5166000111.9L1613 E1617 R1618 A1625L1613-L1621 HydrophobicContact CD1-CD1 4.26Å; E1617-L1621 WeakPolarHBondContact O-CB 3.05Å; E1617-L1621 WeakPolarHBondContact O-CG 3.3Å; E1617-L1621 PolarHBondContact O-N 2.73Å; R1618-L1621 PolarHBondContact O-N 3.09Å; L1621-A1625 WeakPolarHBondContact O-CB 3.46Å; L1621-A1625 PolarHBondContact O-N 3.1Å
1622F76.6Confident66.9Low151 Ų15197.6 Ų97.666%0.66251%0.509SS*.Hα-helixtrans-69.8-41.3176.7-135.5-83.6000112R1618 Q1619 S1620 A1625 K1626R1618-F1622 WeakPolarHBondContact O-CB 3.47Å; R1618-F1622 PolarHBondContact O-N 2.9Å; Q1619-F1622 PolarHBondContact O-N 2.86Å; S1620-F1622 VanDerWaalsContact C-N 3.33Å; S1620-F1622 PolarHBondContact O-N 3.4Å; F1622-A1625 PolarHBondContact O-N 2.95Å; F1622-K1626 WeakPolarHBondContact O-CB 3.4Å; F1622-K1626 PolarHBondContact O-N 3.11Å
1623D78.1Confident67.4Low69 Ų6993.2 Ų93.237%0.36949%0.491SS..Hα-helixtrans-77.7-27.2176.7-78.8-34.3000112.6Q1619 S1620 K1626 A1627Q1619-D1623 PolarHBondContact NE2-OD1 3.09Å; Q1619-D1623 PolarHBondContact NE2-OD2 3.34Å; Q1619-D1623 WeakPolarHBondContact O-CB 3.35Å; Q1619-D1623 PolarHBondContact O-N 3.36Å; S1620-D1623 PolarHBondContact O-N 3.24Å; D1623-K1626 IonicContact OD1-NZ 3.2Å; D1623-K1626 PolarHBondContact OD1-NZ 2.7Å; D1623-A1627 WeakPolarHBondContact O-CA 3.45Å; D1623-A1627 WeakPolarHBondContact O-CB 3.42Å; D1623-A1627 PolarHBondContact O-N 2.76Å
1624I78.9Confident67.5Low102 Ų10296.1 Ų96.152%0.52351%0.506SS..Hα-helixtrans-67.6-46.3166.2-72.8165000109.5S1620 K1626 A1627 A1628S1620-I1624 WeakPolarHBondContact O-CB 3.22Å; S1620-I1624 WeakPolarHBondContact O-CD1 3.47Å; S1620-I1624 WeakPolarHBondContact O-CG1 3.33Å; S1620-I1624 PolarHBondContact O-N 2.98Å; I1624-K1626 VanDerWaalsContact C-N 3.33Å; I1624-K1626 PolarHBondContact O-N 3.05Å; I1624-A1627 PolarHBondContact O-N 2.97Å; I1624-A1628 WeakPolarHBondContact O-CB 3.47Å; I1624-A1628 PolarHBondContact O-N 2.89Å
1625A74.4Confident66.5Low52 Ų5294.8 Ų94.843%0.4351%0.51SS..Hα-helixtrans-62.6-39.9175.700000111.6L1621 F1622 T1629L1621-A1625 WeakPolarHBondContact O-CB 3.46Å; L1621-A1625 PolarHBondContact O-N 3.1Å; F1622-A1625 PolarHBondContact O-N 2.95Å; A1625-T1629 WeakPolarHBondContact O-CB 3.38Å; A1625-T1629 PolarHBondContact O-N 3.47Å; A1625-T1629 PolarHBondContact O-OG1 3.24Å
1626K73.5Confident65.2Low119 Ų11993.1 Ų93.152%0.51751%0.513SS..Hα-helixtrans-75.2-35178.4-175.7178.8171.6-165.70112.5F1622 D1623 I1624 T1630F1622-K1626 WeakPolarHBondContact O-CB 3.4Å; F1622-K1626 PolarHBondContact O-N 3.11Å; D1623-K1626 IonicContact OD1-NZ 3.2Å; D1623-K1626 PolarHBondContact OD1-NZ 2.7Å; I1624-K1626 VanDerWaalsContact C-N 3.33Å; I1624-K1626 PolarHBondContact O-N 3.05Å; K1626-T1630 VanDerWaalsContact O-CB 3.23Å; K1626-T1630 WeakPolarHBondContact O-CB 3.37Å; K1626-T1630 PolarHBondContact O-N 2.9Å; K1626-T1630 PolarHBondContact O-OG1 2.95Å
1627A68.7Low63.5Low52 Ų5290.6 Ų90.643%0.4351%0.505SS..Hα-helixtrans-71.5-43.4171.800000111.2D1623 I1624 T1629 T1630 V1631D1623-A1627 WeakPolarHBondContact O-CA 3.45Å; D1623-A1627 WeakPolarHBondContact O-CB 3.42Å; D1623-A1627 PolarHBondContact O-N 2.76Å; I1624-A1627 PolarHBondContact O-N 2.97Å; A1627-T1629 VanDerWaalsContact C-N 3.34Å; A1627-T1630 CarbonylContact O-C 3.53Å; A1627-T1630 PolarHBondContact O-N 3.25Å; A1627-V1631 WeakPolarHBondContact O-CB 3.11Å; A1627-V1631 WeakPolarHBondContact O-CG2 3.48Å; A1627-V1631 PolarHBondContact O-N 3.46Å
1628A67.5Low62Low43 Ų4391 Ų9136%0.35552%0.517SS..Hα-helixtrans-62.6-41.5172.500000111.2I1624 V1631 M1632I1624-A1628 WeakPolarHBondContact O-CB 3.47Å; I1624-A1628 PolarHBondContact O-N 2.89Å; A1628-V1631 PolarHBondContact O-N 3.24Å; A1628-M1632 HydrophobicContact CB-CE 4.13Å; A1628-M1632 VanDerWaalsContact O-CB 3.3Å; A1628-M1632 WeakPolarHBondContact O-CB 3.35Å; A1628-M1632 WeakPolarHBondContact O-CE 3.49Å; A1628-M1632 VanDerWaalsContact O-CG 3.32Å; A1628-M1632 WeakPolarHBondContact O-CG 3.45Å; A1628-M1632 PolarHBondContact O-N 2.93Å
1629T71.2Confident60Low69 Ų6994.2 Ų94.242%0.42354%0.543SS..Hα-helixtrans-66-36.3172.9-62.10000111.5A1625 A1627 L1633A1625-T1629 WeakPolarHBondContact O-CB 3.38Å; A1625-T1629 PolarHBondContact O-N 3.47Å; A1625-T1629 PolarHBondContact O-OG1 3.24Å; A1627-T1629 VanDerWaalsContact C-N 3.34Å; T1629-L1633 HydrophobicContact CG2-CD1 3.79Å; T1629-L1633 HydrophobicContact CG2-CG 4.29Å; T1629-L1633 WeakPolarHBondContact O-CB 3.44Å; T1629-L1633 VanDerWaalsContact O-CG 3.23Å; T1629-L1633 WeakPolarHBondContact O-CG 3.39Å; T1629-L1633 PolarHBondContact O-N 2.86Å
1630T66.3Low57.7Low70 Ų7095.6 Ų95.643%0.42956%0.561SS.*Hα-helixtrans-70.1-41.4175.1-60.70000111.4K1626 A1627 L1633 L1634K1626-T1630 VanDerWaalsContact O-CB 3.23Å; K1626-T1630 WeakPolarHBondContact O-CB 3.37Å; K1626-T1630 PolarHBondContact O-N 2.9Å; K1626-T1630 PolarHBondContact O-OG1 2.95Å; A1627-T1630 CarbonylContact O-C 3.53Å; A1627-T1630 PolarHBondContact O-N 3.25Å; T1630-L1633 PolarHBondContact O-N 2.96Å; T1630-L1634 HydrophobicContact CG2-CD1 3.88Å; T1630-L1634 HydrophobicContact CG2-CG 4.4Å; T1630-L1634 VanDerWaalsContact O-CB 3.28Å; T1630-L1634 WeakPolarHBondContact O-CB 3.43Å; T1630-L1634 WeakPolarHBondContact O-CG 3.02Å; T1630-L1634 PolarHBondContact O-N 2.96Å
1631V63.1Low55.7Low99 Ų9998.2 Ų98.260%0.658%0.579SS**Hα-helixtrans-67-38.7174.91700000110.8A1627 A1628 L1634 A1635A1627-V1631 WeakPolarHBondContact O-CB 3.11Å; A1627-V1631 WeakPolarHBondContact O-CG2 3.48Å; A1627-V1631 PolarHBondContact O-N 3.46Å; A1628-V1631 PolarHBondContact O-N 3.24Å; V1631-L1634 PolarHBondContact O-N 3.29Å; V1631-A1635 WeakPolarHBondContact O-CB 3.29Å; V1631-A1635 PolarHBondContact O-N 3.25Å
1632M61Low53.6Low116 Ų116104.2 Ų104.257%0.57159%0.594SS**Hα-helixtrans-70.6-37.7173.2-74.1-174.2-78.700112.5A1628 L1634 A1635 S1636A1628-M1632 HydrophobicContact CB-CE 4.13Å; A1628-M1632 VanDerWaalsContact O-CB 3.3Å; A1628-M1632 WeakPolarHBondContact O-CB 3.35Å; A1628-M1632 WeakPolarHBondContact O-CE 3.49Å; A1628-M1632 VanDerWaalsContact O-CG 3.32Å; A1628-M1632 WeakPolarHBondContact O-CG 3.45Å; A1628-M1632 PolarHBondContact O-N 2.93Å; M1632-L1634 VanDerWaalsContact C-N 3.34Å; M1632-A1635 CarbonylContact O-C 3.52Å; M1632-A1635 PolarHBondContact O-N 3.46Å; M1632-S1636 VanDerWaalsContact O-CB 3.27Å; M1632-S1636 WeakPolarHBondContact O-CB 3.43Å; M1632-S1636 PolarHBondContact O-N 2.87Å
1633L47.3Very low51.3Low92 Ų92105.6 Ų105.648%0.48260%0.603SS.*Hα-helixtrans-71.3-26.9173.5-76.2169.7000112.8T1629 T1630 N1637T1629-L1633 HydrophobicContact CG2-CD1 3.79Å; T1629-L1633 HydrophobicContact CG2-CG 4.29Å; T1629-L1633 WeakPolarHBondContact O-CB 3.44Å; T1629-L1633 VanDerWaalsContact O-CG 3.23Å; T1629-L1633 WeakPolarHBondContact O-CG 3.39Å; T1629-L1633 PolarHBondContact O-N 2.86Å; T1630-L1633 PolarHBondContact O-N 2.96Å; L1633-N1637 VanDerWaalsContact O-CB 3.25Å; L1633-N1637 WeakPolarHBondContact O-CB 3.01Å; L1633-N1637 PolarHBondContact O-N 3.14Å; L1633-N1637 PolarHBondContact O-ND2 3.49Å
1634L41.9Very low49Very low145 Ų145109.9 Ų109.976%0.75963%0.626SS**Hα-helixtrans-83.2-14.3170.4-69171.9000112.9T1630 V1631 M1632T1630-L1634 HydrophobicContact CG2-CD1 3.88Å; T1630-L1634 HydrophobicContact CG2-CG 4.4Å; T1630-L1634 VanDerWaalsContact O-CB 3.28Å; T1630-L1634 WeakPolarHBondContact O-CB 3.43Å; T1630-L1634 WeakPolarHBondContact O-CG 3.02Å; T1630-L1634 PolarHBondContact O-N 2.96Å; V1631-L1634 PolarHBondContact O-N 3.29Å; M1632-L1634 VanDerWaalsContact C-N 3.34Å
1635A37.6Very low46.8Very low78 Ų78114.2 Ų114.265%0.64564%0.641SS**SBendtrans-106.31.2174.100000113.8V1631 M1632V1631-A1635 WeakPolarHBondContact O-CB 3.29Å; V1631-A1635 PolarHBondContact O-N 3.25Å; M1632-A1635 CarbonylContact O-C 3.52Å; M1632-A1635 PolarHBondContact O-N 3.46Å
1636S30.8Very low44.9Very low97 Ų97116 Ų11668%0.67865%0.647SS**SBendtrans-146.425.6-179.8-66.80000113.9M1632M1632-S1636 VanDerWaalsContact O-CB 3.27Å; M1632-S1636 WeakPolarHBondContact O-CB 3.43Å; M1632-S1636 PolarHBondContact O-N 2.87Å
1637N31.5Very low43Very low110 Ų110118.6 Ų118.659%0.58866%0.658SS**  trans-107.4130.8158.3-87.8-46.9000110.4L1633L1633-N1637 VanDerWaalsContact O-CB 3.25Å; L1633-N1637 WeakPolarHBondContact O-CB 3.01Å; L1633-N1637 PolarHBondContact O-N 3.14Å; L1633-N1637 PolarHBondContact O-ND2 3.49Å
1638S37.6Very low41.1Very low94 Ų94120.9 Ų120.966%0.65767%0.671SS**  cis-150.593.7-14.2-45.10000108.9S1640S1638-S1640 PolarHBondContact O-N 3Å
1639N28.3Very low39.4Very low180 Ų180127.6 Ų127.696%0.96369%0.692SS**  trans-9867.4178.8-120.58.2000111.5
1640S30.2Very low37.3Very low112 Ų112131.9 Ų131.978%0.78371%0.711SS**  trans-176.1108.7151.4-174.40000111.6S1638S1638-S1640 PolarHBondContact O-N 3Å
1641C29.7Very low35.3Very low113 Ų113132.8 Ų132.876%0.76472%0.72SS**  trans-155.6124.2141.5-147.10000111.2
1642R30.6Very low33.7Very low225 Ų225136.1 Ų136.185%0.84973%0.732SS**  trans60.499.4163.4-65.4177.5179.8-162.9-3.5118.3
1643Q29.1Very low31.9Very low180 Ų180135.8 Ų135.884%0.84174%0.741SS**  -58.7140.7124-65.5177.4-12.100109.3
1644N30.4Very low31.5Very low159 Ų159136.9 Ų136.985%0.8575%0.753SS**  trans-171.7146.2133-98.5-9.1000111.6
1645K32.4Very low30.8Very low193 Ų193136.8 Ų136.884%0.83975%0.751SS**  trans-88.4163.3163.7-58.8170.8-179.8173.10107
1646T34.9Very low30.4Very low90 Ų90142.4 Ų142.455%0.55276%0.757SS**  cis-158172.618.5-24.10000111
1647K32.4Very low30.2Very low173 Ų173143.3 Ų143.375%0.75275%0.754SS**  trans0.1146.1150.5-70.7170.1-176.8-179.20119.2
1648S29.3Very low30.2Very low101 Ų101145.5 Ų145.571%0.70676%0.764SS**  cis-177.5167.44.350.70000115.4
1649K31.3Very low29.9Very low184 Ų184149.1 Ų149.180%0.877%0.768SS**  trans81133151.7-86.5-176.5174.9-178.90121.2
1650L28.3Very low30.1Very low158 Ų158149.1 Ų149.183%0.82776%0.762SS**  trans66150.3151.7-64.6164.1000116.8
1651S24.2Very low30.2Very low89 Ų89147.7 Ų147.762%0.62275%0.752SS**  cis-161.1177.1-19.9-167.50000109.2
1652M28.1Very low30.2Very low170 Ų170149.2 Ų149.284%0.83775%0.753SS**  trans74126.6166.4-57.6-55.2-169.900120.4
1653S24.3Very low30.4Very low109 Ų109147.1 Ų147.176%0.76275%0.75SS**  trans-97.7-177.8141.5-51.10000107.6
1654P38.8Very low30.4Very low115 Ų115144.4 Ų144.475%0.74774%0.74SS**  cis-141.5-161.66.330.5-3.6000114.9
1655M26.8Very low30.5Very low142 Ų142144.6 Ų144.670%0.774%0.741SS**  trans93.4115.5150.6-67.4-175.778.900123.1
1656Y29.1Very low30.4Very low196 Ų196140.7 Ų140.777%0.76973%0.733SS**  trans68.9157132.4-79.6-128.8000120.3
1657N26.5Very low30.1Very low116 Ų116143.5 Ų143.562%0.6275%0.745SS**  cis-169.8-171.1-37.5-150.3-42.2000107.8
1658I31.7Very low30.1Very low157 Ų157140.1 Ų140.181%0.80574%0.743SS**  trans80.4143170.5-50.1169.7000114.6
1659K31Very low30.1Very low170 Ų170144.6 Ų144.674%0.73975%0.749SS**  cis-174.4167.6-50-118-179.5179.3178.50109.2
1660Q32.1Very low30Very low179 Ų179145.6 Ų145.684%0.83675%0.754SS**  trans70.5149.1163.6-71169.6-11.100117.7
1661S32.7Very low30Very low82 Ų82144.2 Ų144.257%0.57374%0.741SS**  cis-172.4150.9-17.855.40000114
1662N30.9Very low30.2Very low145 Ų145144.5 Ų144.578%0.77574%0.743SS**  trans65.7159.8153.4-59.8-29.8000116.2
1663K34.9Very low30.2Very low181 Ų181143.5 Ų143.579%0.78774%0.741SS**  cis-164.9177.9-1.1-127179.6-177.6-177.60107.1
1664L29.3Very low30.5Very low124 Ų124146.5 Ų146.565%0.64975%0.748SS**  cis-166.5133.7-6-156.4-174.7000107
1665L32Very low30Very low163 Ų163148.2 Ų148.285%0.85375%0.752SS**  trans-176.5151.9143.2-129.669.2000115.3
1666T29.6Very low30.2Very low110 Ų110148.5 Ų148.568%0.67576%0.755SS**  trans-153.9139.6174.553.30000113.1
1667N28.6Very low30.1Very low150 Ų150145.4 Ų145.480%0.80276%0.762SS**  trans68154.8164.2-51.2-38.2000116.3
1668S32Very low30.2Very low101 Ų101148.5 Ų148.571%0.70677%0.77SS**  cis-14914819.5-63.50000115.9
1669K29Very low29.9Very low195 Ų195147.3 Ų147.385%0.84877%0.774SS**  trans32.1125.4138.7-57.2171.1-179.4171.60121.3
1670K30.7Very low29.9Very low206 Ų206149 Ų14990%0.89678%0.782SS**  -171.7163.1104.5-107173.9-177.5175.30115.7
1671K28Very low29.8Very low129 Ų129150.9 Ų150.956%0.56178%0.781SS**  trans-37.4151.2172.9-66.8166.3169.8170.90114N579 N580N579-K1671 PolarHBondContact OD1-NZ 3.06Å; N580-K1671 PolarHBondContact OD1-NZ 3.01Å
1672S28.2Very low29.8Very low95 Ų95154.4 Ų154.466%0.66479%0.788SS**  -165.1164.564.1-157.10000116.4
1673N28Very low29.5Very low149 Ų149151.9 Ų151.980%0.79777%0.772SS**  trans42.8107.6160.2-67.6-8.8000120.3
1674N31.5Very low29.4Very low171 Ų171149.1 Ų149.191%0.91477%0.77SS**  trans-141.8109147.2-126.8-37.5000110
1675N26.9Very low29.3Very low152 Ų152147.6 Ų147.681%0.81376%0.761SS**  trans-93.2173.8175.7-112.8-40000110.4
1676L32.4Very low29Very low148 Ų148144.5 Ų144.578%0.77575%0.753SS**  trans7257168.1-153.873.8000117.5K1678L1676-K1678 PolarHBondContact O-N 3.27Å
1677S26.3Very low29Very low131 Ų131149.9 Ų149.992%0.91676%0.761SS**  trans-73.246.7160.3520000113.6
1678K27.9Very low29Very low181 Ų181148.9 Ų148.979%0.78777%0.766SS**  trans-122.7152.1175-91.2175.3179166.40112.2L1676L1676-K1678 PolarHBondContact O-N 3.27Å
1679C25.2Very low28.9Very low132 Ų132154.4 Ų154.489%0.89277%0.771SS**  trans67.382.2179.7-150.10000116.8
1680K32.1Very low29.1Very low205 Ų205154.6 Ų154.689%0.89177%0.767SS**  trans-112.8130.5158.7-109.5170.7-179166.20110.1
1681R30.2Very low29.3Very low219 Ų219156.9 Ų156.983%0.82677%0.77SS**SBendtrans63103.6169.6-85.6179178.1151.60.4116.3
1682H32.8Very low30Very low155 Ų155155.7 Ų155.772%0.71877%0.769SS**  cis-161.111548.2-79.790.8000114.1
1683Q24.6Very low31.1Very low93 Ų93153.7 Ų153.744%0.43576%0.755SS.*  trans-94.8126.9136.3-85.9175.9-6.400107.8S1156 F1157S1156-Q1683 PolarHBondContact OG-NE2 3.42Å; S1156-Q1683 VanDerWaalsContact OG-NE2 3.16Å; S1156-Q1683 PolarHBondContact OG-OE1 2.99Å; F1157-Q1683 HydrophobicContact CD2-CG 4.2Å; F1157-Q1683 HydrophobicContact CE1-CG 4.37Å; F1157-Q1683 HydrophobicContact CE2-CG 3.37Å; F1157-Q1683 VanDerWaalsContact CE2-NE2 3.29Å; F1157-Q1683 HydrophobicContact CZ-CG 3.48Å; F1157-Q1683 VanDerWaalsContact CZ-CG 3.48Å
1684V32.3Very low32.5Very low123 Ų123154.3 Ų154.375%0.74576%0.758SS**  trans-149.4106.3146.5-1790000107.5
1685I26.8Very low34.9Very low92 Ų92146.9 Ų146.947%0.47272%0.718SS.*  trans-84.6147.3160.4-64.2174.8000107.5
1686S26Very low37.8Very low98 Ų98141.9 Ų141.969%0.68570%0.695SS**  trans46.8102.316659.80000118.3
1687R30Very low40.1Very low222 Ų222140.5 Ų140.584%0.83868%0.684SS**  -162.3115124.6-108.6159.6-175.1-177.71.5110.2R1689R1687-R1689 PolarHBondContact O-N 3.31Å
1688S27.3Very low43Very low130 Ų130138 Ų13891%0.90967%0.667SS**  trans-74.160170.6-630000111.1R1690S1688-R1690 VanDerWaalsContact C-N 3.27Å; S1688-R1690 PolarHBondContact O-N 3.22Å
1689R31.4Very low46Very low217 Ų217131.2 Ų131.282%0.81964%0.638SS**  trans-64.597.4159.2-81.1-167.9175-171.8-0.7106.8R1687 R1691R1687-R1689 PolarHBondContact O-N 3.31Å; R1689-R1691 PolarHBondContact O-N 3Å
1690R33.5Very low49.1Very low199 Ų199127.9 Ų127.975%0.75161%0.609SS**  trans-45136.4152.1-65.5-179.1-177.2174.12.2106.1S1688 L1692S1688-R1690 VanDerWaalsContact C-N 3.27Å; S1688-R1690 PolarHBondContact O-N 3.22Å; R1690-L1692 PolarHBondContact O-N 3.46Å
1691R35Very low51.9Low253 Ų253121.8 Ų121.896%0.95559%0.587SS**  trans-72.172.4162.6-71.4-173.6-179.7-171.8-1.6108.4R1689 C1693R1689-R1691 PolarHBondContact O-N 3Å; R1691-C1693 PolarHBondContact O-N 2.78Å
1692L41.9Very low54.7Low105 Ų105114.7 Ų114.755%0.5557%0.567SS.*  trans-54.9127.7141.7-74.4160.8000105.2R1690R1690-L1692 PolarHBondContact O-N 3.46Å
1693C51.2Low57.6Low53 Ų53107.3 Ų107.336%0.35853%0.533SS..  trans-58.1142.1162.5-60.30000107.2R1691 I1695 T1732R1691-C1693 PolarHBondContact O-N 2.78Å; C1693-I1695 PolarHBondContact O-N 3.16Å; C1693-T1732 HydrophobicContact CB-CG2 3.9Å; C1693-T1732 PolarHBondContact SG-OG1 3.35Å
1694N57.6Low60.7Low161 Ų161105.8 Ų105.886%0.86153%0.527SS*.  trans-70.789.6166.7-76.310.2000107S1696N1694-S1696 PolarHBondContact O-N 3.24Å
1695I81.3Confident63.5Low16 Ų16102.4 Ų102.48%0.08251%0.509CS..  trans-66.9120.4168.6-55.8178000105.9C1693 Q1699 Q1700 L1703 L1728 T1732 W1736C1693-I1695 PolarHBondContact O-N 3.16Å; I1695-Q1699 HydrophobicContact CG2-CB 3.38Å; I1695-Q1700 HydrophobicContact CB-CG 4.04Å; I1695-Q1700 HydrophobicContact CG2-CG 3.55Å; I1695-Q1700 PolarHBondContact O-NE2 3.03Å; I1695-L1703 HydrophobicContact CD1-CD1 4.43Å; I1695-L1703 HydrophobicContact CG2-CD1 4.34Å; I1695-L1728 HydrophobicContact CD1-CD1 4.47Å; I1695-L1728 HydrophobicContact CG1-CD1 4.25Å; I1695-L1728 HydrophobicContact CG1-CD2 4.42Å; I1695-L1728 HydrophobicContact CG2-CD1 4.07Å; I1695-T1732 HydrophobicContact CD1-CG2 3.91Å; I1695-T1732 HydrophobicContact CG1-CG2 4.15Å; I1695-W1736 HydrophobicContact CD1-CB 4.09Å; I1695-W1736 HydrophobicContact CD1-CG 3.93Å
1696S88Confident66.4Low47 Ų4798.6 Ų98.633%0.32949%0.491SS..  trans-60.8161.1178.968.40000110.6N1694 S1698 Q1699 Q1700N1694-S1696 PolarHBondContact O-N 3.24Å; S1696-S1698 VanDerWaalsContact C-N 3.29Å; S1696-S1698 PolarHBondContact O-N 3.49Å; S1696-S1698 PolarHBondContact OG-OG 3.02Å; S1696-Q1699 PolarHBondContact O-N 3.16Å; S1696-Q1699 VanDerWaalsContact O-N 3.14Å; S1696-Q1699 WeakPolarHBondContact OG-CB 3.32Å; S1696-Q1699 VanDerWaalsContact OG-CG 3.28Å; S1696-Q1699 WeakPolarHBondContact OG-CG 3.45Å; S1696-Q1699 PolarHBondContact OG-N 3.38Å; S1696-Q1699 VanDerWaalsContact OG-N 3.11Å; S1696-Q1699 PolarHBondContact OG-OE1 3.45Å; S1696-Q1700 WeakPolarHBondContact O-CG 3.3Å; S1696-Q1700 PolarHBondContact O-N 3.13Å
1697Q80.8Confident69.2Low118 Ų11894.5 Ų94.555%0.55146%0.463SS*.Hα-helixtrans-56.4-47.5176.6-170.257.44900110.6Q1699 Q1700 D1701Q1697-Q1699 VanDerWaalsContact C-N 3.33Å; Q1697-Q1699 PolarHBondContact O-N 2.97Å; Q1697-Q1700 CarbonylContact O-C 3.54Å; Q1697-Q1700 WeakPolarHBondContact O-CA 3.4Å; Q1697-Q1700 WeakPolarHBondContact O-CB 3.49Å; Q1697-Q1700 PolarHBondContact O-N 2.99Å; Q1697-D1701 PolarHBondContact NE2-OD1 2.93Å; Q1697-D1701 PolarHBondContact O-N 3.26Å; Q1697-D1701 VanDerWaalsContact O-OD2 3.08Å
1698S86.6Confident71.7Confident78 Ų7888.2 Ų88.255%0.54545%0.453SS..Hα-helixtrans-56-39.517551.30000114.6S1696 Q1700 D1701 V1702S1696-S1698 VanDerWaalsContact C-N 3.29Å; S1696-S1698 PolarHBondContact O-N 3.49Å; S1696-S1698 PolarHBondContact OG-OG 3.02Å; S1698-Q1700 VanDerWaalsContact C-N 3.35Å; S1698-D1701 PolarHBondContact O-N 3.34Å; S1698-V1702 WeakPolarHBondContact O-CG2 3.5Å; S1698-V1702 PolarHBondContact O-N 2.92Å; S1698-V1702 VanDerWaalsContact O-N 3.13Å
1699Q92.3Very high74.4Confident40 Ų4088.3 Ų88.319%0.18744%0.439CS..Hα-helixtrans-70.1-31.2174.5-73.8170.7-3500112.1I1695 S1696 Q1697 L1703 L1726 L1728I1695-Q1699 HydrophobicContact CG2-CB 3.38Å; S1696-Q1699 PolarHBondContact O-N 3.16Å; S1696-Q1699 VanDerWaalsContact O-N 3.14Å; S1696-Q1699 WeakPolarHBondContact OG-CB 3.32Å; S1696-Q1699 VanDerWaalsContact OG-CG 3.28Å; S1696-Q1699 WeakPolarHBondContact OG-CG 3.45Å; S1696-Q1699 PolarHBondContact OG-N 3.38Å; S1696-Q1699 VanDerWaalsContact OG-N 3.11Å; S1696-Q1699 PolarHBondContact OG-OE1 3.45Å; Q1697-Q1699 VanDerWaalsContact C-N 3.33Å; Q1697-Q1699 PolarHBondContact O-N 2.97Å; Q1699-L1703 WeakPolarHBondContact O-CB 3.25Å; Q1699-L1703 WeakPolarHBondContact O-CD1 2.68Å; Q1699-L1703 VanDerWaalsContact O-CG 3.22Å; Q1699-L1703 WeakPolarHBondContact O-CG 3.32Å; Q1699-L1703 PolarHBondContact O-N 2.99Å; Q1699-L1726 HydrophobicContact CG-CB 4.39Å; Q1699-L1726 HydrophobicContact CG-CD2 4.26Å; Q1699-L1726 PolarHBondContact NE2-O 3.09Å; Q1699-L1728 HydrophobicContact CB-CD1 4.37Å
1700Q90.6Very high76.3Confident61 Ų6182.3 Ų82.329%0.28542%0.42SS..Hα-helixtrans-71.1-41.5172.3-65.6179.761.700111I1695 S1696 Q1697 S1698 V1702 L1703 I1704I1695-Q1700 HydrophobicContact CB-CG 4.04Å; I1695-Q1700 HydrophobicContact CG2-CG 3.55Å; I1695-Q1700 PolarHBondContact O-NE2 3.03Å; S1696-Q1700 WeakPolarHBondContact O-CG 3.3Å; S1696-Q1700 PolarHBondContact O-N 3.13Å; Q1697-Q1700 CarbonylContact O-C 3.54Å; Q1697-Q1700 WeakPolarHBondContact O-CA 3.4Å; Q1697-Q1700 WeakPolarHBondContact O-CB 3.49Å; Q1697-Q1700 PolarHBondContact O-N 2.99Å; S1698-Q1700 VanDerWaalsContact C-N 3.35Å; Q1700-V1702 PolarHBondContact O-N 3.33Å; Q1700-L1703 CarbonylContact O-C 3.5Å; Q1700-L1703 PolarHBondContact O-N 3.31Å; Q1700-I1704 VanDerWaalsContact O-CG1 3.27Å; Q1700-I1704 WeakPolarHBondContact O-CG1 3.18Å; Q1700-I1704 PolarHBondContact O-N 3.46Å
1701D89.8Confident78.1Confident78 Ų7881.5 Ų81.542%0.41743%0.425SS..Hα-helixtrans-62.1-42-179.9-55.1-32.1000111.3Q1697 S1698 I1704 S1705Q1697-D1701 PolarHBondContact NE2-OD1 2.93Å; Q1697-D1701 PolarHBondContact O-N 3.26Å; Q1697-D1701 VanDerWaalsContact O-OD2 3.08Å; S1698-D1701 PolarHBondContact O-N 3.34Å; D1701-I1704 PolarHBondContact O-N 3.16Å; D1701-S1705 PolarHBondContact O-N 3.13Å
1702V90.1Very high80.2Confident70 Ų7072.6 Ų72.642%0.42440%0.396SS..Hα-helixtrans-66.5-40.5173.5176.20000112S1698 Q1700 I1704 S1705 A1706 L1722 L1726S1698-V1702 WeakPolarHBondContact O-CG2 3.5Å; S1698-V1702 PolarHBondContact O-N 2.92Å; S1698-V1702 VanDerWaalsContact O-N 3.13Å; Q1700-V1702 PolarHBondContact O-N 3.33Å; V1702-I1704 VanDerWaalsContact C-N 3.29Å; V1702-I1704 PolarHBondContact O-N 2.97Å; V1702-S1705 PolarHBondContact O-N 2.9Å; V1702-A1706 PolarHBondContact O-N 2.87Å; V1702-L1722 HydrophobicContact CG1-CD2 4.42Å; V1702-L1726 HydrophobicContact CB-CD2 4.02Å; V1702-L1726 HydrophobicContact CG1-CD2 3.92Å; V1702-L1726 HydrophobicContact CG2-CD2 4.47Å
1703L93.1Very high82Confident0 Ų073.3 Ų73.30%041%0.407CS..Hα-helixtrans-64.7-33.1174.6-74170.6000112.5I1695 Q1699 Q1700 C1707 L1722 L1726 L1728 I1733 W1736I1695-L1703 HydrophobicContact CD1-CD1 4.43Å; I1695-L1703 HydrophobicContact CG2-CD1 4.34Å; Q1699-L1703 WeakPolarHBondContact O-CB 3.25Å; Q1699-L1703 WeakPolarHBondContact O-CD1 2.68Å; Q1699-L1703 VanDerWaalsContact O-CG 3.22Å; Q1699-L1703 WeakPolarHBondContact O-CG 3.32Å; Q1699-L1703 PolarHBondContact O-N 2.99Å; Q1700-L1703 CarbonylContact O-C 3.5Å; Q1700-L1703 PolarHBondContact O-N 3.31Å; L1703-C1707 WeakPolarHBondContact O-CB 3.31Å; L1703-C1707 PolarHBondContact O-N 3.18Å; L1703-C1707 PolarHBondContact O-SG 2.97Å; L1703-L1722 HydrophobicContact CD2-CB 4.43Å; L1703-L1722 HydrophobicContact CD2-CD1 4.35Å; L1703-L1726 HydrophobicContact CD1-CD1 4.19Å; L1703-L1726 HydrophobicContact CD2-CD1 3.7Å; L1703-L1726 HydrophobicContact CG-CD1 3.6Å; L1703-L1728 HydrophobicContact CD1-CD1 4.48Å; L1703-I1733 HydrophobicContact CD1-CG1 4.44Å; L1703-I1733 HydrophobicContact CD2-CD1 4.08Å; L1703-I1733 HydrophobicContact CD2-CG1 4.15Å; L1703-I1733 HydrophobicContact CD2-CG2 3.97Å; L1703-W1736 HydrophobicContact CB-CD2 4.45Å; L1703-W1736 HydrophobicContact CB-CE3 3.91Å; L1703-W1736 HydrophobicContact CB-CH2 3.78Å; L1703-W1736 HydrophobicContact CB-CZ2 4.29Å; L1703-W1736 HydrophobicContact CB-CZ3 3.57Å; L1703-W1736 HydrophobicContact CD1-CD2 3.96Å; L1703-W1736 HydrophobicContact CD1-CE3 4Å; L1703-W1736 HydrophobicContact CD1-CG 4.31Å; L1703-W1736 HydrophobicContact CG-CE3 4.43Å
1704I90.4Very high83.6Confident61 Ų6171.3 Ų71.331%0.31339%0.392SS..Hα-helixtrans-66.7-49.6172.4-70.2167000109.8Q1700 D1701 V1702 A1706 C1707 S1708 W1736 Y1740Q1700-I1704 VanDerWaalsContact O-CG1 3.27Å; Q1700-I1704 WeakPolarHBondContact O-CG1 3.18Å; Q1700-I1704 PolarHBondContact O-N 3.46Å; D1701-I1704 PolarHBondContact O-N 3.16Å; V1702-I1704 VanDerWaalsContact C-N 3.29Å; V1702-I1704 PolarHBondContact O-N 2.97Å; I1704-A1706 VanDerWaalsContact C-N 3.34Å; I1704-A1706 PolarHBondContact O-N 2.94Å; I1704-C1707 CarbonylContact O-C 3.57Å; I1704-C1707 WeakPolarHBondContact O-CA 3.41Å; I1704-C1707 PolarHBondContact O-N 2.75Å; I1704-S1708 PolarHBondContact O-N 2.84Å; I1704-S1708 PolarHBondContact O-OG 3.39Å; I1704-W1736 HydrophobicContact CG1-CH2 3.75Å; I1704-W1736 HydrophobicContact CG1-CZ2 4.13Å; I1704-Y1740 HydrophobicContact CG1-CE2 4.03Å
1705S89.7Confident85.1Confident52 Ų5266.5 Ų66.536%0.36437%0.371SS..Hα-helixtrans-55.8-48.2179.4-150.70000111.7D1701 V1702 C1707 S1708 E1709D1701-S1705 PolarHBondContact O-N 3.13Å; V1702-S1705 PolarHBondContact O-N 2.9Å; S1705-C1707 VanDerWaalsContact C-N 3.25Å; S1705-C1707 PolarHBondContact O-N 3.02Å; S1705-S1708 WeakPolarHBondContact CA-OG 3.48Å; S1705-S1708 PolarHBondContact O-N 2.9Å; S1705-S1708 PolarHBondContact O-OG 3.47Å; S1705-E1709 WeakPolarHBondContact CB-OE1 3.47Å; S1705-E1709 WeakPolarHBondContact O-CG 3.43Å; S1705-E1709 PolarHBondContact O-N 3.17Å; S1705-E1709 PolarHBondContact OG-OE1 3.04Å
1706A87.8Confident85.5Confident11 Ų1169.3 Ų69.39%0.09139%0.389CS..Hα-helixtrans-63.8-25.8176.700000114V1702 I1704 H1710 L1714 L1722V1702-A1706 PolarHBondContact O-N 2.87Å; I1704-A1706 VanDerWaalsContact C-N 3.34Å; I1704-A1706 PolarHBondContact O-N 2.94Å; A1706-H1710 WeakPolarHBondContact O-CB 3.35Å; A1706-H1710 PolarHBondContact O-N 2.89Å; A1706-H1710 VanDerWaalsContact O-N 3.11Å; A1706-L1714 HydrophobicContact CB-CD2 4.39Å; A1706-L1722 HydrophobicContact CB-CD1 3.8Å; A1706-L1722 HydrophobicContact CB-CD2 4.01Å
1707C85.8Confident85.5Confident13 Ų1374.2 Ų74.29%0.08841%0.407CS..Hα-helixtrans-83.7-15172.9-66.50000114L1703 I1704 S1705 L1714 Y1740L1703-C1707 WeakPolarHBondContact O-CB 3.31Å; L1703-C1707 PolarHBondContact O-N 3.18Å; L1703-C1707 PolarHBondContact O-SG 2.97Å; I1704-C1707 CarbonylContact O-C 3.57Å; I1704-C1707 WeakPolarHBondContact O-CA 3.41Å; I1704-C1707 PolarHBondContact O-N 2.75Å; S1705-C1707 VanDerWaalsContact C-N 3.25Å; S1705-C1707 PolarHBondContact O-N 3.02Å; C1707-L1714 HydrophobicContact CB-CD1 4.4Å; C1707-Y1740 HydrophobicContact CB-CD1 4.15Å; C1707-Y1740 HydrophobicContact CB-CE1 3.79Å
1708S82Confident85.9Confident90 Ų9070.2 Ų70.263%0.62939%0.391SS*.Hα-helixtrans-90.8-31.9168.544.30000113.2I1704 S1705I1704-S1708 PolarHBondContact O-N 2.84Å; I1704-S1708 PolarHBondContact O-OG 3.39Å; S1705-S1708 WeakPolarHBondContact CA-OG 3.48Å; S1705-S1708 PolarHBondContact O-N 2.9Å; S1705-S1708 PolarHBondContact O-OG 3.47Å
1709E82.8Confident86.3Confident131 Ų13167.2 Ų67.261%0.61237%0.368SS*.Hα-helixtrans-78-37.6177.6-70.5160.9-133.100112S1705S1705-E1709 WeakPolarHBondContact CB-OE1 3.47Å; S1705-E1709 WeakPolarHBondContact O-CG 3.43Å; S1705-E1709 PolarHBondContact O-N 3.17Å; S1705-E1709 PolarHBondContact OG-OE1 3.04Å
1710H71.4Confident86.3Confident92 Ų9270.9 Ų70.943%0.42638%0.383SS..SBendtrans-112.3112.1173.4-59.5-46.4000110.2A1706 L1712 L1714A1706-H1710 WeakPolarHBondContact O-CB 3.35Å; A1706-H1710 PolarHBondContact O-N 2.89Å; A1706-H1710 VanDerWaalsContact O-N 3.11Å; H1710-L1712 PolarHBondContact O-N 3.49Å; H1710-L1714 HydrophobicContact CB-CG 4.14Å
1711Q72.2Confident86.4Confident182 Ų18270.9 Ų70.985%0.8539%0.39SS*.PPolyproline II helixtrans-52.5133.8178-63.9-176.46.900111P1713Q1711-P1713 CarbonylContact O-C 3.58Å
1712L79.6Confident86.6Confident66 Ų6668.1 Ų68.135%0.34638%0.376SS..SBendtrans-66.1134.7-178.6-75.4165.2000111.1H1710 L1714 I1737 I1744H1710-L1712 PolarHBondContact O-N 3.49Å; L1712-L1714 HydrophobicContact CD2-CD1 3.68Å; L1712-L1714 HydrophobicContact CG-CD1 4.49Å; L1712-I1737 HydrophobicContact CD2-CG2 3.68Å; L1712-I1744 HydrophobicContact CD1-CD1 4.2Å
1713P78.1Confident86.8Confident120 Ų12065.4 Ų65.478%0.77936%0.36SS*.SBendcis-87.7139.56.733.9-34.2000114.4Q1711Q1711-P1713 CarbonylContact O-C 3.58Å
1714L86Confident86.7Confident10 Ų1072.7 Ų72.75%0.05239%0.394CS..PPolyproline II helixtrans-59.2149.8170.5-8476000111.9A1706 C1707 H1710 L1712 M1719 L1722 I1737A1706-L1714 HydrophobicContact CB-CD2 4.39Å; C1707-L1714 HydrophobicContact CB-CD1 4.4Å; H1710-L1714 HydrophobicContact CB-CG 4.14Å; L1712-L1714 HydrophobicContact CD2-CD1 3.68Å; L1712-L1714 HydrophobicContact CG-CD1 4.49Å; L1714-M1719 HydrophobicContact CB-CG 3.88Å; L1714-L1722 HydrophobicContact CD2-CD1 3.64Å; L1714-I1737 HydrophobicContact CD2-CD1 4.2Å
1715S89.7Confident86.7Confident60 Ų6074.8 Ų74.842%0.4241%0.406SS..PPolyproline II helixtrans-66.8158.1175.486.80000112E1717 T1718 M1719S1715-E1717 PolarHBondContact O-N 2.73Å; S1715-E1717 PolarHBondContact OG-N 3.3Å; S1715-T1718 PolarHBondContact N-OG1 3.48Å; S1715-T1718 PolarHBondContact O-N 2.89Å; S1715-T1718 PolarHBondContact O-OG1 2.74Å; S1715-T1718 PolarHBondContact OG-N 3.29Å; S1715-T1718 VanDerWaalsContact OG-N 3.09Å; S1715-T1718 PolarHBondContact OG-OG1 2.85Å; S1715-M1719 WeakPolarHBondContact O-CB 3.44Å; S1715-M1719 WeakPolarHBondContact O-CG 3.37Å; S1715-M1719 PolarHBondContact O-N 3.29Å
1716T89.1Confident86.7Confident76 Ų7673.4 Ų73.447%0.46640%0.395SS..THydrogen-bonded Turntrans-63.1-22.7175.2-69.30000112.2K1720T1716-K1720 HydrophobicContact CG2-CD 4.45Å; T1716-K1720 WeakPolarHBondContact O-CD 3.39Å; T1716-K1720 WeakPolarHBondContact O-CG 3.25Å; T1716-K1720 PolarHBondContact O-N 2.71Å
1717E88.4Confident86.8Confident149 Ų14978.5 Ų78.570%0.69643%0.428SS*.THydrogen-bonded Turntrans-85.7-43.7-179.1-64.6-178.8162.300111.6S1715 M1719 K1720 S1721S1715-E1717 PolarHBondContact O-N 2.73Å; S1715-E1717 PolarHBondContact OG-N 3.3Å; E1717-M1719 VanDerWaalsContact C-N 3.31Å; E1717-M1719 PolarHBondContact O-N 3.44Å; E1717-K1720 WeakPolarHBondContact O-CA 3.23Å; E1717-K1720 WeakPolarHBondContact O-CB 3.43Å; E1717-K1720 PolarHBondContact O-N 2.81Å; E1717-S1721 PolarHBondContact O-N 2.8Å
1718T89.5Confident87.1Confident35 Ų3578.6 Ų78.622%0.21543%0.428CS..Hα-helixtrans-63-39.1172.353.60000111.3S1715 K1720 S1721 L1722S1715-T1718 PolarHBondContact N-OG1 3.48Å; S1715-T1718 PolarHBondContact O-N 2.89Å; S1715-T1718 PolarHBondContact O-OG1 2.74Å; S1715-T1718 PolarHBondContact OG-N 3.29Å; S1715-T1718 VanDerWaalsContact OG-N 3.09Å; S1715-T1718 PolarHBondContact OG-OG1 2.85Å; T1718-K1720 VanDerWaalsContact C-N 3.26Å; T1718-K1720 PolarHBondContact O-N 3.43Å; T1718-S1721 PolarHBondContact O-N 3.02Å; T1718-L1722 WeakPolarHBondContact O-CB 3.36Å; T1718-L1722 VanDerWaalsContact O-CG 3.28Å; T1718-L1722 WeakPolarHBondContact O-CG 3.29Å; T1718-L1722 PolarHBondContact O-N 3.34Å
1719M93Very high87.5Confident14 Ų1477.9 Ų77.97%0.06942%0.421CS..Hα-helixtrans-65.1-23.9171.8-72.1-168.3-70.700114.3L1714 S1715 E1717 A1723 Y1730 L1734 I1737L1714-M1719 HydrophobicContact CB-CG 3.88Å; S1715-M1719 WeakPolarHBondContact O-CB 3.44Å; S1715-M1719 WeakPolarHBondContact O-CG 3.37Å; S1715-M1719 PolarHBondContact O-N 3.29Å; E1717-M1719 VanDerWaalsContact C-N 3.31Å; E1717-M1719 PolarHBondContact O-N 3.44Å; M1719-A1723 WeakPolarHBondContact O-CB 3.49Å; M1719-A1723 PolarHBondContact O-N 2.89Å; M1719-Y1730 HydrophobicContact CB-CD2 4.34Å; M1719-Y1730 HydrophobicContact CB-CE2 3.63Å; M1719-Y1730 WeakPolarHBondContact O-CD2 3.49Å; M1719-L1734 HydrophobicContact CE-CD1 4.01Å; M1719-L1734 HydrophobicContact SD-CD1 3.81Å; M1719-I1737 HydrophobicContact CG-CD1 3.72Å; M1719-I1737 HydrophobicContact SD-CD1 3.82Å
1720K93.6Very high88Confident117 Ų11775.4 Ų75.451%0.50941%0.406SS..Hα-helixtrans-80.3-40.9172-78.7167.8-175.3172.60111.8T1716 E1717 T1718 A1723 Q1724 Y1730T1716-K1720 HydrophobicContact CG2-CD 4.45Å; T1716-K1720 WeakPolarHBondContact O-CD 3.39Å; T1716-K1720 WeakPolarHBondContact O-CG 3.25Å; T1716-K1720 PolarHBondContact O-N 2.71Å; E1717-K1720 WeakPolarHBondContact O-CA 3.23Å; E1717-K1720 WeakPolarHBondContact O-CB 3.43Å; E1717-K1720 PolarHBondContact O-N 2.81Å; T1718-K1720 VanDerWaalsContact C-N 3.26Å; T1718-K1720 PolarHBondContact O-N 3.43Å; K1720-A1723 WeakPolarHBondContact O-CB 3.48Å; K1720-A1723 PolarHBondContact O-N 3.24Å; K1720-Q1724 PolarHBondContact O-N 3.01Å; K1720-Q1724 VanDerWaalsContact O-N 3.13Å; K1720-Y1730 HydrophobicContact CG-CD2 3.93Å; K1720-Y1730 HydrophobicContact CG-CE2 3.88Å
1721S93.2Very high88.8Confident62 Ų6279.1 Ų79.143%0.43442%0.422SS..Hα-helixtrans-57.3-57.5173.3-160.80000109.4E1717 T1718 A1723 Q1724 D1725E1717-S1721 PolarHBondContact O-N 2.8Å; T1718-S1721 PolarHBondContact O-N 3.02Å; S1721-A1723 PolarHBondContact O-N 3.4Å; S1721-Q1724 CarbonylContact O-C 3.29Å; S1721-Q1724 WeakPolarHBondContact O-CA 3.29Å; S1721-Q1724 WeakPolarHBondContact O-CB 3.3Å; S1721-Q1724 PolarHBondContact O-N 3.25Å; S1721-D1725 WeakPolarHBondContact CB-OD2 3.35Å; S1721-D1725 PolarHBondContact O-N 3.1Å; S1721-D1725 PolarHBondContact OG-OD2 2.93Å
1722L93.5Very high89.7Confident20 Ų2071.6 Ų71.611%0.10539%0.388CS..Hα-helixtrans-55.1-28.8178.8-66.7165.7000113.4V1702 L1703 A1706 L1714 T1718 D1725 L1726 I1733V1702-L1722 HydrophobicContact CG1-CD2 4.42Å; L1703-L1722 HydrophobicContact CD2-CB 4.43Å; L1703-L1722 HydrophobicContact CD2-CD1 4.35Å; A1706-L1722 HydrophobicContact CB-CD1 3.8Å; A1706-L1722 HydrophobicContact CB-CD2 4.01Å; L1714-L1722 HydrophobicContact CD2-CD1 3.64Å; T1718-L1722 WeakPolarHBondContact O-CB 3.36Å; T1718-L1722 VanDerWaalsContact O-CG 3.28Å; T1718-L1722 WeakPolarHBondContact O-CG 3.29Å; T1718-L1722 PolarHBondContact O-N 3.34Å; L1722-D1725 PolarHBondContact N-OD2 3.38Å; L1722-L1726 WeakPolarHBondContact O-CB 3.43Å; L1722-L1726 VanDerWaalsContact O-CG 3.27Å; L1722-L1726 WeakPolarHBondContact O-CG 3.33Å; L1722-L1726 PolarHBondContact O-N 3.34Å; L1722-L1726 VanDerWaalsContact O-N 3.1Å; L1722-I1733 HydrophobicContact CB-CD1 3.93Å; L1722-I1733 VanDerWaalsContact O-CD1 3.22Å; L1722-I1733 WeakPolarHBondContact O-CD1 3.49Å
1723A93.8Very high90.3Very high13 Ų1368.5 Ų68.511%0.10737%0.372CS..Hα-helixtrans-71-40.1174.200000112.6M1719 K1720 S1721 C1727 L1728 Y1730 I1733M1719-A1723 WeakPolarHBondContact O-CB 3.49Å; M1719-A1723 PolarHBondContact O-N 2.89Å; K1720-A1723 WeakPolarHBondContact O-CB 3.48Å; K1720-A1723 PolarHBondContact O-N 3.24Å; S1721-A1723 PolarHBondContact O-N 3.4Å; A1723-C1727 PolarHBondContact O-N 2.79Å; A1723-L1728 CarbonylContact C-O 3.15Å; A1723-L1728 WeakPolarHBondContact CA-O 3.47Å; A1723-L1728 WeakPolarHBondContact CB-O 3.24Å; A1723-L1728 PolarHBondContact O-N 3.49Å; A1723-Y1730 HydrophobicContact CB-CD2 4.5Å; A1723-I1733 VanDerWaalsContact CA-CD1 3.44Å; A1723-I1733 HydrophobicContact CB-CD1 4.01Å
1724Q90.5Very high91Very high152 Ų15266.4 Ų66.471%0.7135%0.353SS*.Hα-helixtrans-69.7-52.3173.5-164.366.62200110.7K1720 S1721 L1726 C1727K1720-Q1724 PolarHBondContact O-N 3.01Å; K1720-Q1724 VanDerWaalsContact O-N 3.13Å; S1721-Q1724 CarbonylContact O-C 3.29Å; S1721-Q1724 WeakPolarHBondContact O-CA 3.29Å; S1721-Q1724 WeakPolarHBondContact O-CB 3.3Å; S1721-Q1724 PolarHBondContact O-N 3.25Å; Q1724-L1726 PolarHBondContact O-N 3.08Å; Q1724-C1727 PolarHBondContact O-N 3.26Å; Q1724-C1727 VanDerWaalsContact O-N 3.09Å
1725D90.6Very high91.1Very high106 Ų10668.3 Ų68.357%0.56737%0.368SS*.Hα-helixtrans-63.2-38-173.4-56.7-36.9000112.5S1721 L1722S1721-D1725 WeakPolarHBondContact CB-OD2 3.35Å; S1721-D1725 PolarHBondContact O-N 3.1Å; S1721-D1725 PolarHBondContact OG-OD2 2.93Å; L1722-D1725 PolarHBondContact N-OD2 3.38Å
1726L91Very high91.2Very high23 Ų2366.9 Ų66.912%0.1235%0.353CS..THydrogen-bonded Turntrans-91.10.2178-58.3174.3000113.5Q1699 V1702 L1703 L1722 Q1724 L1728 I1733Q1699-L1726 HydrophobicContact CG-CB 4.39Å; Q1699-L1726 HydrophobicContact CG-CD2 4.26Å; Q1699-L1726 PolarHBondContact NE2-O 3.09Å; V1702-L1726 HydrophobicContact CB-CD2 4.02Å; V1702-L1726 HydrophobicContact CG1-CD2 3.92Å; V1702-L1726 HydrophobicContact CG2-CD2 4.47Å; L1703-L1726 HydrophobicContact CD1-CD1 4.19Å; L1703-L1726 HydrophobicContact CD2-CD1 3.7Å; L1703-L1726 HydrophobicContact CG-CD1 3.6Å; L1722-L1726 WeakPolarHBondContact O-CB 3.43Å; L1722-L1726 VanDerWaalsContact O-CG 3.27Å; L1722-L1726 WeakPolarHBondContact O-CG 3.33Å; L1722-L1726 PolarHBondContact O-N 3.34Å; L1722-L1726 VanDerWaalsContact O-N 3.1Å; Q1724-L1726 PolarHBondContact O-N 3.08Å; L1726-L1728 HydrophobicContact CB-CB 4.43Å; L1726-L1728 HydrophobicContact CB-CD1 3.9Å; L1726-L1728 HydrophobicContact CB-CG 4.02Å; L1726-L1728 HydrophobicContact CD1-CD1 4.23Å; L1726-L1728 PolarHBondContact O-N 2.96Å; L1726-I1733 HydrophobicContact CD1-CD1 4.29Å
1727C89.6Confident91.3Very high117 Ų11764 Ų6479%0.79133%0.334SS*.THydrogen-bonded Turntrans52.937.4-171.5-70.10000113.5A1723 Q1724A1723-C1727 PolarHBondContact O-N 2.79Å; Q1724-C1727 PolarHBondContact O-N 3.26Å; Q1724-C1727 VanDerWaalsContact O-N 3.09Å
1728L90.8Very high91.2Very high16 Ų1663.7 Ų63.78%0.08433%0.333CS..  trans-111.5140.7-177.9-71.5174.8000111.3I1695 Q1699 L1703 A1723 L1726 Y1730 I1733I1695-L1728 HydrophobicContact CD1-CD1 4.47Å; I1695-L1728 HydrophobicContact CG1-CD1 4.25Å; I1695-L1728 HydrophobicContact CG1-CD2 4.42Å; I1695-L1728 HydrophobicContact CG2-CD1 4.07Å; Q1699-L1728 HydrophobicContact CB-CD1 4.37Å; L1703-L1728 HydrophobicContact CD1-CD1 4.48Å; A1723-L1728 CarbonylContact C-O 3.15Å; A1723-L1728 WeakPolarHBondContact CA-O 3.47Å; A1723-L1728 WeakPolarHBondContact CB-O 3.24Å; A1723-L1728 PolarHBondContact O-N 3.49Å; L1726-L1728 HydrophobicContact CB-CB 4.43Å; L1726-L1728 HydrophobicContact CB-CD1 3.9Å; L1726-L1728 HydrophobicContact CB-CG 4.02Å; L1726-L1728 HydrophobicContact CD1-CD1 4.23Å; L1726-L1728 PolarHBondContact O-N 2.96Å; L1728-Y1730 PolarHBondContact O-N 3.41Å; L1728-I1733 HydrophobicContact CB-CD1 4.09Å; L1728-I1733 HydrophobicContact CB-CG1 4.07Å; L1728-I1733 HydrophobicContact CD1-CD1 4.39Å; L1728-I1733 HydrophobicContact CD1-CG1 4.16Å
1729P90.6Very high91Very high74 Ų7465.5 Ų65.548%0.48134%0.341SS..  trans-57.9132.5173.6-22.232.3000111.1K1731 T1732 I1733P1729-K1731 PolarHBondContact O-N 2.91Å; P1729-T1732 WeakPolarHBondContact O-CA 3.37Å; P1729-T1732 WeakPolarHBondContact O-CB 3.46Å; P1729-T1732 PolarHBondContact O-N 3.41Å; P1729-I1733 PolarHBondContact O-N 3.44Å
1730Y93.4Very high90.7Very high79 Ų7967.4 Ų67.431%0.3135%0.348SS..Hα-helixtrans-47.1-39.7177.9176.5-97.2000113.4M1719 K1720 A1723 L1728 T1732 I1733 L1734M1719-Y1730 HydrophobicContact CB-CD2 4.34Å; M1719-Y1730 HydrophobicContact CB-CE2 3.63Å; M1719-Y1730 WeakPolarHBondContact O-CD2 3.49Å; K1720-Y1730 HydrophobicContact CG-CD2 3.93Å; K1720-Y1730 HydrophobicContact CG-CE2 3.88Å; A1723-Y1730 HydrophobicContact CB-CD2 4.5Å; L1728-Y1730 PolarHBondContact O-N 3.41Å; Y1730-T1732 VanDerWaalsContact C-N 3.29Å; Y1730-T1732 PolarHBondContact O-N 3.44Å; Y1730-I1733 PolarHBondContact O-N 3.2Å; Y1730-L1734 HydrophobicContact CE1-CD2 4.14Å; Y1730-L1734 WeakPolarHBondContact O-CB 3.31Å; Y1730-L1734 PolarHBondContact O-N 2.65Å
1731K89.8Confident90.4Very high171 Ų17162.6 Ų62.674%0.74333%0.332SS*.Hα-helixtrans-66.5-26.4177.1-172.3165.1-174.9164.10114P1729 S1735P1729-K1731 PolarHBondContact O-N 2.91Å; K1731-S1735 VanDerWaalsContact O-CB 3.22Å; K1731-S1735 WeakPolarHBondContact O-CB 3.33Å; K1731-S1735 PolarHBondContact O-N 3.36Å; K1731-S1735 VanDerWaalsContact O-N 3.12Å
1732T90.6Very high89.7Confident24 Ų2461.4 Ų61.415%0.14733%0.326CS..Hα-helixtrans-71-47.2172.6-61.30000110.3C1693 I1695 P1729 Y1730 S1735 W1736C1693-T1732 HydrophobicContact CB-CG2 3.9Å; C1693-T1732 PolarHBondContact SG-OG1 3.35Å; I1695-T1732 HydrophobicContact CD1-CG2 3.91Å; I1695-T1732 HydrophobicContact CG1-CG2 4.15Å; P1729-T1732 WeakPolarHBondContact O-CA 3.37Å; P1729-T1732 WeakPolarHBondContact O-CB 3.46Å; P1729-T1732 PolarHBondContact O-N 3.41Å; Y1730-T1732 VanDerWaalsContact C-N 3.29Å; Y1730-T1732 PolarHBondContact O-N 3.44Å; T1732-S1735 PolarHBondContact O-N 3Å; T1732-W1736 WeakPolarHBondContact O-CB 3.37Å; T1732-W1736 PolarHBondContact O-N 3.12Å
1733I91.8Very high89.1Confident0 Ų066.6 Ų66.60%035%0.345CS..Hα-helixtrans-64.3-49.3176.7-70.6-178.2000111.1L1703 L1722 A1723 L1726 L1728 P1729 Y1730 S1735 W1736 I1737L1703-I1733 HydrophobicContact CD1-CG1 4.44Å; L1703-I1733 HydrophobicContact CD2-CD1 4.08Å; L1703-I1733 HydrophobicContact CD2-CG1 4.15Å; L1703-I1733 HydrophobicContact CD2-CG2 3.97Å; L1722-I1733 HydrophobicContact CB-CD1 3.93Å; L1722-I1733 VanDerWaalsContact O-CD1 3.22Å; L1722-I1733 WeakPolarHBondContact O-CD1 3.49Å; A1723-I1733 VanDerWaalsContact CA-CD1 3.44Å; A1723-I1733 HydrophobicContact CB-CD1 4.01Å; L1726-I1733 HydrophobicContact CD1-CD1 4.29Å; L1728-I1733 HydrophobicContact CB-CD1 4.09Å; L1728-I1733 HydrophobicContact CB-CG1 4.07Å; L1728-I1733 HydrophobicContact CD1-CD1 4.39Å; L1728-I1733 HydrophobicContact CD1-CG1 4.16Å; P1729-I1733 PolarHBondContact O-N 3.44Å; Y1730-I1733 PolarHBondContact O-N 3.2Å; I1733-S1735 PolarHBondContact O-N 3.36Å; I1733-W1736 CarbonylContact O-C 3.56Å; I1733-W1736 WeakPolarHBondContact O-CA 3.32Å; I1733-W1736 PolarHBondContact O-N 2.85Å; I1733-I1737 HydrophobicContact CG2-CD1 3.56Å; I1733-I1737 HydrophobicContact CG2-CG1 4.14Å; I1733-I1737 WeakPolarHBondContact O-CG1 3.47Å; I1733-I1737 PolarHBondContact O-N 3.43Å
1734L91.9Very high88.4Confident76 Ų7668.5 Ų68.540%0.39835%0.353SS..Hα-helixtrans-55.4-40.7176-176.168.3000112M1719 Y1730 H1738M1719-L1734 HydrophobicContact CE-CD1 4.01Å; M1719-L1734 HydrophobicContact SD-CD1 3.81Å; Y1730-L1734 HydrophobicContact CE1-CD2 4.14Å; Y1730-L1734 WeakPolarHBondContact O-CB 3.31Å; Y1730-L1734 PolarHBondContact O-N 2.65Å; L1734-H1738 WeakPolarHBondContact O-CB 3.45Å; L1734-H1738 PolarHBondContact O-N 2.91Å; L1734-H1738 VanDerWaalsContact O-N 3.14Å
1735S88.1Confident87.3Confident50 Ų5067.8 Ų67.835%0.3535%0.349SS..Hα-helixtrans-74.9-22.8175.7-1740000113.8K1731 T1732 I1733 N1739K1731-S1735 VanDerWaalsContact O-CB 3.22Å; K1731-S1735 WeakPolarHBondContact O-CB 3.33Å; K1731-S1735 PolarHBondContact O-N 3.36Å; K1731-S1735 VanDerWaalsContact O-N 3.12Å; T1732-S1735 PolarHBondContact O-N 3Å; I1733-S1735 PolarHBondContact O-N 3.36Å; S1735-N1739 PolarHBondContact O-ND2 3.43Å
1736W93Very high85.8Confident31 Ų3169 Ų6912%0.11735%0.352CS..Hα-helixtrans-78.7-50.1174.6-175.794.5000110I1695 L1703 I1704 T1732 I1733 H1738 N1739 Y1740I1695-W1736 HydrophobicContact CD1-CB 4.09Å; I1695-W1736 HydrophobicContact CD1-CG 3.93Å; L1703-W1736 HydrophobicContact CB-CD2 4.45Å; L1703-W1736 HydrophobicContact CB-CE3 3.91Å; L1703-W1736 HydrophobicContact CB-CH2 3.78Å; L1703-W1736 HydrophobicContact CB-CZ2 4.29Å; L1703-W1736 HydrophobicContact CB-CZ3 3.57Å; L1703-W1736 HydrophobicContact CD1-CD2 3.96Å; L1703-W1736 HydrophobicContact CD1-CE3 4Å; L1703-W1736 HydrophobicContact CD1-CG 4.31Å; L1703-W1736 HydrophobicContact CG-CE3 4.43Å; I1704-W1736 HydrophobicContact CG1-CH2 3.75Å; I1704-W1736 HydrophobicContact CG1-CZ2 4.13Å; T1732-W1736 WeakPolarHBondContact O-CB 3.37Å; T1732-W1736 PolarHBondContact O-N 3.12Å; I1733-W1736 CarbonylContact O-C 3.56Å; I1733-W1736 WeakPolarHBondContact O-CA 3.32Å; I1733-W1736 PolarHBondContact O-N 2.85Å; W1736-H1738 VanDerWaalsContact C-N 3.32Å; W1736-H1738 PolarHBondContact O-N 2.91Å; W1736-N1739 CarbonylContact O-C 3.59Å; W1736-N1739 WeakPolarHBondContact O-CA 2.93Å; W1736-N1739 WeakPolarHBondContact O-CB 3.07Å; W1736-N1739 PolarHBondContact O-N 2.89Å; W1736-Y1740 HydrophobicContact CE3-CG 4.47Å; W1736-Y1740 AromaticContact CH2-CD1 3.91Å; W1736-Y1740 HydrophobicContact CH2-CD1 3.91Å; W1736-Y1740 AromaticContact CH2-CD2 3.65Å; W1736-Y1740 HydrophobicContact CH2-CD2 3.65Å; W1736-Y1740 HydrophobicContact CH2-CE1 4.3Å; W1736-Y1740 HydrophobicContact CH2-CE2 4.08Å; W1736-Y1740 AromaticContact CH2-CG 3.57Å; W1736-Y1740 HydrophobicContact CH2-CG 3.57Å; W1736-Y1740 AromaticContact CZ2-CD2 3.98Å; W1736-Y1740 HydrophobicContact CZ2-CD2 3.98Å; W1736-Y1740 HydrophobicContact CZ2-CG 4.22Å; W1736-Y1740 AromaticContact CZ3-CD1 3.87Å; W1736-Y1740 HydrophobicContact CZ3-CD1 3.87Å; W1736-Y1740 HydrophobicContact CZ3-CD2 4.27Å; W1736-Y1740 AromaticContact CZ3-CG 3.71Å; W1736-Y1740 HydrophobicContact CZ3-CG 3.71Å; W1736-Y1740 WeakPolarHBondContact O-CB 3.43Å; W1736-Y1740 PolarHBondContact O-N 3.23Å
1737I91.9Very high84Confident14 Ų1471 Ų717%0.07236%0.362CS..Hα-helixtrans-57.7-43.3177.8-67175.4000110.9L1712 L1714 M1719 I1733 N1739 Y1740 G1741L1712-I1737 HydrophobicContact CD2-CG2 3.68Å; L1714-I1737 HydrophobicContact CD2-CD1 4.2Å; M1719-I1737 HydrophobicContact CG-CD1 3.72Å; M1719-I1737 HydrophobicContact SD-CD1 3.82Å; I1733-I1737 HydrophobicContact CG2-CD1 3.56Å; I1733-I1737 HydrophobicContact CG2-CG1 4.14Å; I1733-I1737 WeakPolarHBondContact O-CG1 3.47Å; I1733-I1737 PolarHBondContact O-N 3.43Å; I1737-N1739 VanDerWaalsContact C-N 3.32Å; I1737-N1739 PolarHBondContact O-N 3.5Å; I1737-Y1740 PolarHBondContact O-N 3.42Å; I1737-G1741 PolarHBondContact O-N 3.45Å
1738H85.9Confident82.1Confident144 Ų14470.2 Ų70.267%0.66735%0.35SS*.Hα-helixtrans-62.1-36.8175-174.8-51.9000112.8L1734 W1736 A1742L1734-H1738 WeakPolarHBondContact O-CB 3.45Å; L1734-H1738 PolarHBondContact O-N 2.91Å; L1734-H1738 VanDerWaalsContact O-N 3.14Å; W1736-H1738 VanDerWaalsContact C-N 3.32Å; W1736-H1738 PolarHBondContact O-N 2.91Å; H1738-A1742 WeakPolarHBondContact O-CB 3.43Å; H1738-A1742 PolarHBondContact O-N 2.88Å
1739N85Confident79.7Confident72 Ų7276.8 Ų76.839%0.38538%0.381SS..Hα-helixtrans-74.5-35.7175.7-68.4-25.6000111.5S1735 W1736 I1737 A1742 Y1743S1735-N1739 PolarHBondContact O-ND2 3.43Å; W1736-N1739 CarbonylContact O-C 3.59Å; W1736-N1739 WeakPolarHBondContact O-CA 2.93Å; W1736-N1739 WeakPolarHBondContact O-CB 3.07Å; W1736-N1739 PolarHBondContact O-N 2.89Å; I1737-N1739 VanDerWaalsContact C-N 3.32Å; I1737-N1739 PolarHBondContact O-N 3.5Å; N1739-A1742 PolarHBondContact O-N 3.38Å; N1739-Y1743 WeakPolarHBondContact O-CB 3.49Å; N1739-Y1743 PolarHBondContact O-N 3.37Å
1740Y87Confident77.2Confident54 Ų5476.8 Ų76.821%0.21238%0.382CS..Hα-helixtrans-68.8-44.8-180-173.9-112.1000111.7I1704 C1707 W1736 I1737 A1742 Y1743 I1744I1704-Y1740 HydrophobicContact CG1-CE2 4.03Å; C1707-Y1740 HydrophobicContact CB-CD1 4.15Å; C1707-Y1740 HydrophobicContact CB-CE1 3.79Å; W1736-Y1740 HydrophobicContact CE3-CG 4.47Å; W1736-Y1740 AromaticContact CH2-CD1 3.91Å; W1736-Y1740 HydrophobicContact CH2-CD1 3.91Å; W1736-Y1740 AromaticContact CH2-CD2 3.65Å; W1736-Y1740 HydrophobicContact CH2-CD2 3.65Å; W1736-Y1740 HydrophobicContact CH2-CE1 4.3Å; W1736-Y1740 HydrophobicContact CH2-CE2 4.08Å; W1736-Y1740 AromaticContact CH2-CG 3.57Å; W1736-Y1740 HydrophobicContact CH2-CG 3.57Å; W1736-Y1740 AromaticContact CZ2-CD2 3.98Å; W1736-Y1740 HydrophobicContact CZ2-CD2 3.98Å; W1736-Y1740 HydrophobicContact CZ2-CG 4.22Å; W1736-Y1740 AromaticContact CZ3-CD1 3.87Å; W1736-Y1740 HydrophobicContact CZ3-CD1 3.87Å; W1736-Y1740 HydrophobicContact CZ3-CD2 4.27Å; W1736-Y1740 AromaticContact CZ3-CG 3.71Å; W1736-Y1740 HydrophobicContact CZ3-CG 3.71Å; W1736-Y1740 WeakPolarHBondContact O-CB 3.43Å; W1736-Y1740 PolarHBondContact O-N 3.23Å; I1737-Y1740 PolarHBondContact O-N 3.42Å; Y1740-A1742 PolarHBondContact O-N 2.8Å; Y1740-Y1743 WeakPolarHBondContact O-CB 3.42Å; Y1740-Y1743 PolarHBondContact O-N 2.6Å; Y1740-Y1743 VanDerWaalsContact O-N 3.17Å; Y1740-I1744 HydrophobicContact CD1-CD1 3.92Å; Y1740-I1744 HydrophobicContact CE1-CD1 3.47Å; Y1740-I1744 VanDerWaalsContact CE1-CD1 3.47Å; Y1740-I1744 HydrophobicContact CE1-CG1 4.47Å; Y1740-I1744 HydrophobicContact CE2-CD1 4.48Å; Y1740-I1744 WeakPolarHBondContact O-CG1 3.13Å; Y1740-I1744 PolarHBondContact O-N 3.01Å
1741G86.5Confident74.5Confident17 Ų1782 Ų8218%0.17541%0.407CS..Hα-helixtrans-60.6-41.7171.800000112.8I1737 Y1743 I1744 Q1745I1737-G1741 PolarHBondContact O-N 3.45Å; G1741-Y1743 VanDerWaalsContact C-N 3.33Å; G1741-Y1743 PolarHBondContact O-N 2.88Å; G1741-I1744 PolarHBondContact O-N 2.93Å; G1741-Q1745 WeakPolarHBondContact O-CG 3.48Å; G1741-Q1745 PolarHBondContact O-N 2.95Å
1742A79.4Confident71.6Confident36 Ų3681.6 Ų81.630%0.29841%0.412SS..Hα-helixtrans-65.2-35.2174.300000112.8H1738 N1739 Y1740 Q1745 Q1746H1738-A1742 WeakPolarHBondContact O-CB 3.43Å; H1738-A1742 PolarHBondContact O-N 2.88Å; N1739-A1742 PolarHBondContact O-N 3.38Å; Y1740-A1742 PolarHBondContact O-N 2.8Å; A1742-Q1745 PolarHBondContact O-N 3.21Å; A1742-Q1746 WeakPolarHBondContact O-CG 3.39Å; A1742-Q1746 PolarHBondContact O-N 3.46Å
1743Y81Confident68.5Low129 Ų12983.4 Ų83.451%0.50644%0.435SS..Hα-helixtrans-68.3-42.1174.7177.6-107.9000112.2N1739 Y1740 G1741 Q1746 N1747N1739-Y1743 WeakPolarHBondContact O-CB 3.49Å; N1739-Y1743 PolarHBondContact O-N 3.37Å; Y1740-Y1743 WeakPolarHBondContact O-CB 3.42Å; Y1740-Y1743 PolarHBondContact O-N 2.6Å; Y1740-Y1743 VanDerWaalsContact O-N 3.17Å; G1741-Y1743 VanDerWaalsContact C-N 3.33Å; G1741-Y1743 PolarHBondContact O-N 2.88Å; Y1743-Q1746 PolarHBondContact O-N 3.27Å; Y1743-N1747 VanDerWaalsContact CE1-ND2 3.31Å; Y1743-N1747 WeakPolarHBondContact CE1-ND2 3.35Å; Y1743-N1747 PolarHBondContact O-N 3.01Å; Y1743-N1747 PolarHBondContact OH-ND2 3.3Å; Y1743-N1747 VanDerWaalsContact OH-ND2 3.11Å
1744I77.5Confident65.4Low53 Ų5390.6 Ų90.627%0.27247%0.472SS..Hα-helixtrans-61.6-43.8172.9-70.8172.2000110.8L1712 Y1740 G1741 Q1746 N1747 N1748L1712-I1744 HydrophobicContact CD1-CD1 4.2Å; Y1740-I1744 HydrophobicContact CD1-CD1 3.92Å; Y1740-I1744 HydrophobicContact CE1-CD1 3.47Å; Y1740-I1744 VanDerWaalsContact CE1-CD1 3.47Å; Y1740-I1744 HydrophobicContact CE1-CG1 4.47Å; Y1740-I1744 HydrophobicContact CE2-CD1 4.48Å; Y1740-I1744 WeakPolarHBondContact O-CG1 3.13Å; Y1740-I1744 PolarHBondContact O-N 3.01Å; G1741-I1744 PolarHBondContact O-N 2.93Å; I1744-Q1746 VanDerWaalsContact C-N 3.34Å; I1744-Q1746 PolarHBondContact O-N 2.88Å; I1744-N1747 PolarHBondContact O-N 3.2Å; I1744-N1748 WeakPolarHBondContact O-CB 3.44Å; I1744-N1748 PolarHBondContact O-N 3.31Å
1745Q68.5Low62.3Low138 Ų13893.8 Ų93.865%0.64549%0.494SS*.Hα-helixtrans-60.3-41.5176-75.1177.2-1200112.4G1741 A1742 Q1749G1741-Q1745 WeakPolarHBondContact O-CG 3.48Å; G1741-Q1745 PolarHBondContact O-N 2.95Å; A1742-Q1745 PolarHBondContact O-N 3.21Å; Q1745-Q1749 WeakPolarHBondContact O-CG 3.39Å; Q1745-Q1749 PolarHBondContact O-N 3.33Å; Q1745-Q1749 VanDerWaalsContact O-N 3.15Å
1746Q57.7Low59.3Low131 Ų13196.8 Ų96.861%0.61252%0.515SS*.Hα-helixtrans-67.6-41.5176-74.2-179.2-10.200112.9A1742 Y1743 I1744 Q1749 S1750A1742-Q1746 WeakPolarHBondContact O-CG 3.39Å; A1742-Q1746 PolarHBondContact O-N 3.46Å; Y1743-Q1746 PolarHBondContact O-N 3.27Å; I1744-Q1746 VanDerWaalsContact C-N 3.34Å; I1744-Q1746 PolarHBondContact O-N 2.88Å; Q1746-Q1749 PolarHBondContact O-N 2.94Å; Q1746-S1750 PolarHBondContact O-N 3.19Å; Q1746-S1750 PolarHBondContact O-OG 3.34Å
1747N53.3Low56.2Low64 Ų64103.3 Ų103.334%0.34255%0.553SS.*Hα-helixtrans-68.9-36.3177.4-82.40.8000112.7Y1743 I1744 Q1749 S1750 K1751Y1743-N1747 VanDerWaalsContact CE1-ND2 3.31Å; Y1743-N1747 WeakPolarHBondContact CE1-ND2 3.35Å; Y1743-N1747 PolarHBondContact O-N 3.01Å; Y1743-N1747 PolarHBondContact OH-ND2 3.3Å; Y1743-N1747 VanDerWaalsContact OH-ND2 3.11Å; I1744-N1747 PolarHBondContact O-N 3.2Å; N1747-Q1749 VanDerWaalsContact C-N 3.31Å; N1747-Q1749 PolarHBondContact O-N 3.47Å; N1747-S1750 WeakPolarHBondContact CA-OG 3.28Å; N1747-S1750 PolarHBondContact O-N 2.92Å; N1747-S1750 PolarHBondContact O-OG 3.48Å; N1747-K1751 WeakPolarHBondContact O-CB 3.39Å; N1747-K1751 PolarHBondContact O-N 3.3Å
1748N49.5Very low53.3Low102 Ų102107.4 Ų107.455%0.54559%0.588SS.*Hα-helixtrans-70.3-29.5176.7-72.3-0.6000111.8I1744I1744-N1748 WeakPolarHBondContact O-CB 3.44Å; I1744-N1748 PolarHBondContact O-N 3.31Å
1749Q41.3Very low50.6Low154 Ų154105.5 Ų105.572%0.7260%0.597SS**Hα-helixtrans-71-35.8169.4-74.2178.4-13.700112.6Q1745 Q1746 N1747Q1745-Q1749 WeakPolarHBondContact O-CG 3.39Å; Q1745-Q1749 PolarHBondContact O-N 3.33Å; Q1745-Q1749 VanDerWaalsContact O-N 3.15Å; Q1746-Q1749 PolarHBondContact O-N 2.94Å; N1747-Q1749 VanDerWaalsContact C-N 3.31Å; N1747-Q1749 PolarHBondContact O-N 3.47Å
1750S38.9Very low47.9Very low73 Ų73109.7 Ų109.751%0.5162%0.62SS.*Hα-helixtrans-78.6-19.1178.367.40000114.4Q1746 N1747Q1746-S1750 PolarHBondContact O-N 3.19Å; Q1746-S1750 PolarHBondContact O-OG 3.34Å; N1747-S1750 WeakPolarHBondContact CA-OG 3.28Å; N1747-S1750 PolarHBondContact O-N 2.92Å; N1747-S1750 PolarHBondContact O-OG 3.48Å
1751K35.2Very low45.2Very low190 Ų190112.1 Ų112.183%0.82665%0.645SS**THydrogen-bonded Turntrans-91.97.9175.8-148.1179.6179.7-174.60114.3N1747N1747-K1751 WeakPolarHBondContact O-CB 3.39Å; N1747-K1751 PolarHBondContact O-N 3.3Å
1752L29Very low42.4Very low161 Ų161120.4 Ų120.484%0.84368%0.679SS**THydrogen-bonded Turntrans-114.621.5176.8-126151.5000112
1753G26.9Very low40Very low62 Ų62123.1 Ų123.164%0.63970%0.696SS**SBendtrans-153.826.7-173.200000115.8
1754I26.4Very low37.4Very low152 Ų152123.6 Ų123.678%0.77971%0.707SS**SBendtrans-143.962.9168.3-43.4177.7000111.2
1755V25.7Very low35.1Very low142 Ų142131.2 Ų131.286%0.86173%0.734SS**SBendtrans-156.996.5142.5-179.10000107.5
1756S25.1Very low33.2Very low113 Ų113129 Ų12979%0.7973%0.734SS**  trans-177.7151.3156.1-78.40000107.5
1757D28.9Very low31.7Very low169 Ų169129.7 Ų129.790%0.90474%0.74SS**  trans98.783.6-179.5-58.4-4.4000115.4
1758A29.8Very low30.4Very low100 Ų100134.5 Ų134.583%0.82676%0.76SS**  trans-150.679.5164.800000111.1
1759A30.5Very low29.3Very low103 Ų103137.6 Ų137.685%0.85177%0.772SS**  trans65.5121.8166.600000119.5
1760D27.3Very low28.6Very low160 Ų160134.4 Ų134.486%0.85677%0.766SS**  trans-71.2142.1156.7-56.1-80.3000111.5
1761S30.6Very low28Very low106 Ų106138.4 Ų138.474%0.74178%0.782SS**  176121.8127.328.20000111.7
1762E28.7Very low27.6Very low190 Ų190134 Ų13489%0.88877%0.768SS**  trans52.8141150.8-59.9177.3163.900119.9
1763S28.7Very low27.8Very low93 Ų93131.7 Ų131.765%0.6575%0.751SS**  cis-172.5149.5-14.150.30000108.2
1764D26.3Very low27.9Very low139 Ų139133.4 Ų133.474%0.74375%0.745SS**  trans42.7123.4163.2-47.9-25.9000119
1765Y29.6Very low28.2Very low213 Ų213135 Ų13584%0.83574%0.742SS**  -166.3151.366.7-107.2-99.1000111.5
1766S27.1Very low28.5Very low92 Ų92135.4 Ų135.464%0.64374%0.74SS**  trans32.1131.1151.4-53.20000121.5
1767I27.4Very low29Very low146 Ų146136.9 Ų136.975%0.74974%0.738SS**  62.8119.758.1-59.4173.3000110.6
1768E25.9Very low29.2Very low164 Ų164136.1 Ų136.177%0.76673%0.734SS**  cis-155.21571.8-132.9166.7-151.800113.5
1769E26.1Very low29.4Very low168 Ų168137 Ų13779%0.78573%0.729SS**  trans58.4165.9141.4-118.2-160.8-150.500125.8
1770S26.3Very low29.5Very low86 Ų86136.3 Ų136.360%0.60172%0.719SS**  trans66.499151.4-79.60000120.9
1771N26.2Very low29.7Very low158 Ų158135.8 Ų135.885%0.84572%0.715SS**  trans-9.8133.5151.2-49.2-77.7000117.1
1772D27.5Very low29.8Very low98 Ų98137.5 Ų137.552%0.52471%0.711SS.*  trans-155.1173.8143.4-138.3-9.9000117T1793D1772-T1793 WeakPolarHBondContact OD1-CB 2.93Å; D1772-T1793 PolarHBondContact OD1-OG1 3.22Å
1773K32.2Very low30.1Very low111 Ų111136 Ų13648%0.48370%0.702SS.*  trans-167.9174-172-90.3-176.4-174.6179.10108.5S1792 T1793 I1794K1773-S1792 WeakPolarHBondContact CD-OG 3.45Å; K1773-S1792 PolarHBondContact NZ-OG 2.97Å; K1773-T1793 VanDerWaalsContact C-OG1 3.3Å; K1773-T1793 WeakPolarHBondContact CB-OG1 3.09Å; K1773-T1793 PolarHBondContact N-OG1 3.16Å; K1773-T1793 WeakPolarHBondContact O-CB 3.11Å; K1773-T1793 PolarHBondContact O-N 3.14Å; K1773-T1793 PolarHBondContact O-OG1 3.49Å; K1773-I1794 PolarHBondContact O-N 3.31Å
1774L29.2Very low30.3Very low98 Ų98139.5 Ų139.551%0.51371%0.708SS.*  cis-118.3-100-11.1-156.3164.7000105.6T1791 S1792L1774-T1791 WeakPolarHBondContact CD1-O 3.3Å; L1774-S1792 WeakPolarHBondContact CB-O 2.96Å
1775Y33.2Very low30.7Very low185 Ų185140.1 Ų140.173%0.72571%0.706SS**  trans-155.1153.2-178.3-91.8-103.1000106.6
1776D31.6Very low30.9Very low152 Ų152139.1 Ų139.181%0.81371%0.706SS**  -166163.192.2-102.4-38.3000113.2
1777N35.4Very low31.5Very low143 Ų143140 Ų14077%0.76571%0.709SS**  trans-109.8153.3168.9-74.7-77.6000110
1778D33.1Very low32Very low153 Ų153137.8 Ų137.882%0.81870%0.704SS**  trans-52.7157.1170.3-73.3-63.6000114.1
1779V34.2Very low32.3Very low118 Ų118137.9 Ų137.972%0.71571%0.708SS**  cis-157.8152.81394.20000114.5
1780S33.1Very low32.4Very low90 Ų90136.4 Ų136.463%0.62971%0.711SS**  trans55.5122.7151.7-61.80000125.5
1781L31.6Very low32.6Very low149 Ų149137.1 Ų137.178%0.7871%0.712SS**  trans69.7143132.7-62.7169.5000119.7
1782E32.4Very low32.8Very low142 Ų142132.3 Ų132.366%0.66469%0.691SS**  cis-143.9123.79.7-176.6159.2-159.900115.1
1783K35.2Very low33.2Very low158 Ų158131.7 Ų131.769%0.68769%0.691SS**  trans44.2129.1146.9-62.2168.6-163.2154.30123.9
1784Q33Very low33.5Very low167 Ų167131.7 Ų131.778%0.7870%0.695SS**  trans119.1125.2135.1-65.6-123.610.500119.9
1785H33.7Very low33.6Very low152 Ų152133.5 Ų133.570%0.70471%0.71SS**  trans76.4106.6154.6-93.9-59.6000123.9
1786K33.9Very low33.6Very low191 Ų191128.6 Ų128.683%0.8371%0.708SS**  trans82.8161141.1-95.7-175.2174.9177.50118.1
1787P39.4Very low33.5Very low111 Ų111127.4 Ų127.472%0.72171%0.706SS**  -127.9-160.7-121.149-34000112.8
1788P39.2Very low33.6Very low99 Ų99126.8 Ų126.864%0.64371%0.708SS**  cis-138163.9-3.939.6-20.7000118.6
1789I32Very low33.6Very low166 Ų166125 Ų12585%0.85170%0.702SS**  trans70.2133.6152-65.6157.4000119.7
1790T28.8Very low33.5Very low137 Ų137125.2 Ų125.284%0.8470%0.7SS**  trans-146-178.9-172.851.40000113
1791T30.1Very low33.5Very low101 Ų101128.1 Ų128.162%0.6270%0.703SS**  trans-151.1149.4173.438.20000114.3L1774L1774-T1791 WeakPolarHBondContact CD1-O 3.3Å
1792S31.2Very low33.5Very low57 Ų57127.2 Ų127.240%0.39970%0.699SS.*  trans66.2153.5153.538.70000120.5K1773 L1774K1773-S1792 WeakPolarHBondContact CD-OG 3.45Å; K1773-S1792 PolarHBondContact NZ-OG 2.97Å; L1774-S1792 WeakPolarHBondContact CB-O 2.96Å
1793T33.9Very low33.6Very low86 Ų86126.3 Ų126.353%0.52870%0.703SS.*  cis-144.4-89.2-20.810.90000116.7D1772 K1773D1772-T1793 WeakPolarHBondContact OD1-CB 2.93Å; D1772-T1793 PolarHBondContact OD1-OG1 3.22Å; K1773-T1793 VanDerWaalsContact C-OG1 3.3Å; K1773-T1793 WeakPolarHBondContact CB-OG1 3.09Å; K1773-T1793 PolarHBondContact N-OG1 3.16Å; K1773-T1793 WeakPolarHBondContact O-CB 3.11Å; K1773-T1793 PolarHBondContact O-N 3.14Å; K1773-T1793 PolarHBondContact O-OG1 3.49Å
1794I38.6Very low33.5Very low110 Ų110123.7 Ų123.756%0.56470%0.704SS**  trans-139.6156.3-141.3-79.4158.6000117.8K1773K1773-I1794 PolarHBondContact O-N 3.31Å
1795T32.3Very low33.4Very low136 Ų136120.4 Ų120.483%0.83470%0.7SS**  trans-164.9133.1142.7-1.60000116
1796A32.8Very low33.3Very low83 Ų83118.5 Ų118.569%0.68670%0.704SS**  trans49.4156.7141.900000124.1
1797T30.4Very low33.1Very low126 Ų126113.7 Ų113.777%0.77369%0.694SS**  cis-170.5148.6-29.334.50000109.3
1798T36.6Very low32.7Very low130 Ų130114.2 Ų114.280%0.79869%0.691SS**  trans179.9122.614715.10000115.7
1799T34Very low32.1Very low115 Ų115116.5 Ų116.571%0.70669%0.693SS**  35.8140.5126.359.30000122
1800D30.9Very low32Very low123 Ų123118.1 Ų118.166%0.65869%0.69SS**  cis-173.2-178.4-2.8-136.8-61.8000113.8
1801H34.1Very low31.9Very low151 Ų151117 Ų11770%0.69968%0.682SS**  trans78143.9148.9-70.43.9000120.6
1802L31.1Very low32Very low131 Ų131117.9 Ų117.969%0.68668%0.683SS**  cis-166.9171.1-14.7-121.7176.7000113.1
1803T34.6Very low32.1Very low123 Ų123122.3 Ų122.376%0.75570%0.695SS**  trans70.7146162.656.20000119.3
1804S32.8Very low31.9Very low102 Ų102125.9 Ų125.971%0.71371%0.706SS**  cis-178.9157.5-14.250.90000108.5
1805S31.8Very low31.6Very low98 Ų98129 Ų12969%0.68572%0.718SS**  cis-179.1147.4-12.448.90000109.3
1806S31.2Very low31.4Very low113 Ų113129.8 Ų129.879%0.7972%0.716SS**  trans63165150.7-74.40000119.4
1807S29.8Very low31.6Very low89 Ų89130.8 Ų130.862%0.62272%0.716SS**  cis-168.5159.2-26.6-100.10000109.9
1808D29.9Very low31.7Very low123 Ų123132.5 Ų132.566%0.65872%0.715SS**  trans60.6121.5145.4-73.9-68.3000123.6
1809Q27.8Very low31.5Very low147 Ų147132.2 Ų132.269%0.68771%0.708SS**  93.7137.3121.1-78.7176.754.100124.8
1810Y29Very low31.5Very low199 Ų199132.3 Ų132.378%0.7870%0.696SS**  trans62.4129.4160.5-75.6-126.6000117.8
1811V27.2Very low31.6Very low113 Ų113137.9 Ų137.969%0.68571%0.707SS**  cis89.887.832.5-1780000114.6
1812D31.9Very low31.5Very low120 Ų120140.1 Ų140.164%0.64272%0.715SS**  -174.1135.5122.9-100.2-17.1000110.1
1813K32.5Very low31.9Very low150 Ų150138.8 Ų138.865%0.65272%0.715SS**  63.1135.379.1-64.1-164.5-153.991.60113.7
1814Q30.2Very low31.7Very low162 Ų162140.6 Ų140.676%0.75772%0.718SS**  cis-164.1178.9-0.6-125.6173.60.200113
1815H33Very low31.4Very low174 Ų174142.7 Ų142.781%0.80672%0.721SS**  trans95.4150.3160.4-100.8-93.1000121.9
1816L28.2Very low31.7Very low153 Ų153143.3 Ų143.380%0.80172%0.723SS**  trans-97.1172.2-159.7-108.272.8000113
1817P36.9Very low31.5Very low105 Ų105144 Ų14468%0.68272%0.723SS**  cis-145.1177.335.841.4-20.7000120.1
1818H32.8Very low31.6Very low162 Ų162150.6 Ų150.675%0.7573%0.734SS**  trans82.8125.7158.6-75.5-60.2000123.2
1819N32.5Very low31.6Very low124 Ų124151.6 Ų151.666%0.66374%0.739SS**  trans80.697138.9-72.1-14.6000123.2
1820R32.6Very low31.6Very low117 Ų117148.2 Ų148.244%0.44274%0.735SS.*  103.2160.2120.8-74.2-163.4-174.3-164.910.8119.9E1345 N1346E1345-R1820 VanDerWaalsContact O-CZ 3.3Å; E1345-R1820 PolarHBondContact O-NH1 3Å; E1345-R1820 PolarHBondContact O-NH2 2.93Å; E1345-R1820 IonicContact OE2-CZ 3.77Å; E1345-R1820 IonicContact OE2-NH1 2.71Å; E1345-R1820 PolarHBondContact OE2-NH1 3Å; N1346-R1820 PolarHBondContact OD1-NH1 2.75Å; N1346-R1820 VanDerWaalsContact OD1-NH1 3.08Å; N1346-R1820 PolarHBondContact OD1-NH2 2.84Å
1821R32.8Very low31.6Very low239 Ų239144.6 Ų144.690%0.90274%0.738SS**  trans-109.4153-156.5-71.4178.8170.9162.3-3.9112.6
1822K32.5Very low31.8Very low198 Ų198143.4 Ų143.486%0.86174%0.74SS**  trans-78.7-176.4160.6-108.8173.4-175.1175.80109.7
1823P38.8Very low31.9Very low104 Ų104145 Ų14568%0.67575%0.754SS**  cis-142-166.1-723.14.5000115.3
1824I31.3Very low31.8Very low161 Ų161142 Ų14283%0.82676%0.757SS**  trans105.6133.9147.9-51.7-167000117.7
1825N27.2Very low32Very low145 Ų145140.7 Ų140.778%0.77576%0.76SS**  trans-121.9-171.7-174.8-128.9-14.9000107
1826P37.2Very low31.9Very low112 Ų112138.1 Ų138.173%0.72776%0.756SS**  cis-132.3171.92.839.2-20.7000116.5
1827T27.8Very low32.2Very low128 Ų128137.5 Ų137.579%0.78575%0.753SS**  trans-126.8142.3152.2-68.10000107.7
1828R31.8Very low31.9Very low226 Ų226137.8 Ų137.885%0.85376%0.758SS**  trans145.2157.2161.5-89.3-172.3174.2-143-2.9111.7
1829L30Very low32.5Very low145 Ų145135.5 Ų135.576%0.75976%0.757SS**  cis-154.2-171.5-24.4-161.3103.3000107.3
1830A27.7Very low32.4Very low75 Ų75135.2 Ų135.262%0.6276%0.756SS**  trans-90.4156.1179.100000113.9
1831C28Very low32.5Very low123 Ų123138.4 Ų138.483%0.83177%0.773SS**  trans52.1106.2151.9-60.70000121.3
1832A33Very low32.5Very low89 Ų89131.6 Ų131.674%0.73676%0.762SS**  71.2110.1116.100000122
1833V32.6Very low32.5Very low152 Ų152129.2 Ų129.292%0.92176%0.757SS**  trans68.8146139.2-171.30000117.7
1834A31.9Very low32.1Very low87 Ų87132.6 Ų132.672%0.71976%0.764SS**  trans-124.9173.9-171.100000112.2
1835V32.9Very low32.7Very low135 Ų135130.2 Ų130.282%0.81876%0.759SS**  trans172.1119.6130.1149.80000113.2
1836V32.4Very low33Very low120 Ų120127 Ų12773%0.72775%0.752SS**  trans56.1100.1142.2-1730000123
1837N33.8Very low32.9Very low140 Ų140127.9 Ų127.975%0.74976%0.756SS**  40.7126.5117-56.6-4.3000126.1
1838S31.1Very low32.9Very low111 Ų111128.9 Ų128.978%0.77676%0.755SS**  73.6164.4126.9-58.70000121
1839P44.3Very low32.7Very low114 Ų114122.2 Ų122.274%0.7474%0.743SS**  cis-134.6164.33.943.1-26.7000118.9
1840D31Very low32.6Very low118 Ų118122.5 Ų122.563%0.63175%0.746SS**  trans54130.8141.1-82.712.1000127.7
1841K35.2Very low32.7Very low184 Ų184124.1 Ų124.180%0.875%0.753SS**  trans71.8138.1139.9-68.9162.3-176.11410118.8
1842S32.1Very low32.8Very low96 Ų96125.9 Ų125.967%0.67175%0.754SS**  cis-156.5133.23.854.80000115.8
1843I32.3Very low32.7Very low148 Ų148129.4 Ų129.476%0.75976%0.755SS**  trans73.8125.2136-62.3170.3000120.9
1844H31.4Very low32.8Very low175 Ų175128.6 Ų128.681%0.8174%0.741SS**  trans72.6147.6162.6-78.4-49.1000120.2
1845P42.8Very low32.7Very low112 Ų112132.2 Ų132.273%0.72774%0.743SS**  -142.6179.4-124.143.1-23.8000118.6
1846A34.3Very low32.8Very low77 Ų77131.4 Ų131.464%0.63673%0.734SS**  trans90.4109.7147.500000120.7
1847T34.1Very low32.9Very low130 Ų130134.1 Ų134.180%0.79874%0.744SS**  trans67.7141.7141.256.10000119.3
1848L28Very low33Very low149 Ų149134.3 Ų134.378%0.7874%0.743SS**  cis-156.9155.96.8-125.9164.1000112.8
1849S28.2Very low33.1Very low86 Ų86135.4 Ų135.460%0.60175%0.745SS**  trans65.6114.5153.851.70000123.1
1850N28.2Very low33.2Very low152 Ų152134.6 Ų134.681%0.81374%0.74SS**  trans90.4134.1130.2-64.52.5000123.5
1851S28.3Very low33.4Very low109 Ų109135.2 Ų135.276%0.76275%0.747SS**  trans92.794151.6-55.90000120.4
1852N30.8Very low33.2Very low159 Ų159136.1 Ų136.185%0.8577%0.769SS**  trans19.8141.6137.8-48.9-8.3000121.6
1853E30.8Very low33.3Very low164 Ų164138.2 Ų138.277%0.76677%0.773SS**  -170149.8110.8-107.2177.4-155.700115.7
1854H34.6Very low33.3Very low135 Ų135137.6 Ų137.663%0.62577%0.774SS**  trans51.8152.3158.3-74.5-70.8000125
1855E30.9Very low33.4Very low162 Ų162135.6 Ų135.676%0.75777%0.772SS**  trans-122.3170179.9-69.3-168.8148.900113.1
1856N35Very low32.9Very low119 Ų119136.9 Ų136.964%0.63678%0.775SS**  trans86.3106.7149.8-68.3-56.2000120.4
1857L33.4Very low32.8Very low177 Ų177140.7 Ų140.793%0.92778%0.784SS**  -155.5149.2121.3-107.3158.1000110.5
1858I35.4Very low32.7Very low143 Ų143141.4 Ų141.473%0.73378%0.783SS**  trans-128144.3-171-62.4167.2000109
1859V34.2Very low33.1Very low134 Ų134140.9 Ų140.981%0.81278%0.783SS**  trans173.3146.2157.3131.30000110.6
1860P47.3Very low33.4Very low98 Ų98145.1 Ų145.164%0.63680%0.797SS**  cis-147.2-172.5-23.646.9-30.1000115.8
1861V35Very low33.9Very low131 Ų131144.5 Ų144.579%0.79480%0.795SS**  trans65.3136.3154.71730000118
1862T31Very low34.4Very low203 Ų203147.7 Ų147.7100%1.24580%0.798SS**  cis-101.60-451.10000112.4

Retrieved 1,862 of 1,862 residues in 1767 ms (Link to these results)