A0A096M789_POEFO Loading...

DUF4592 domain-containing protein

AlphaFold DB , UniProt , Accession A0A096M789, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,216 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M39.8Very low44.5Very low227 Ų227150.3 Ų150.3100%1.11872%0.717SS**  01270-76.1178.7174.700106.9
2L42.5Very low44.4Very low136 Ų136146.8 Ų146.871%0.71272%0.721SS**  63.4110.3110.7-60.5169.6000112.5
3Q45.9Very low45.4Very low173 Ų173144.2 Ų144.281%0.80872%0.722SS**  97.8142.180.6-174.8176.149.500110
4G47.8Very low45.2Very low60 Ų60146.8 Ų146.862%0.61974%0.738SS**  cis-113.2-160.6-1.700000113.8
5Q47.5Very low44.8Very low160 Ų160141.6 Ų141.675%0.74874%0.736SS**  cis59.3125.637.8-117.5-175.481.600110.6M7Q5-M7 HydrophobicContact CG-CE 4.14Å
6E49.4Very low44.4Very low123 Ų123139.4 Ų139.458%0.57575%0.745SS**  cis-132.214422.3-76.7-171.6112.300111.3K8E6-K8 WeakPolarHBondContact OE1-CE 2.99Å; E6-K8 IonicContact OE1-NZ 2.69Å; E6-K8 PolarHBondContact OE1-NZ 2.69Å; E6-K8 IonicContact OE2-NZ 2.63Å; E6-K8 PolarHBondContact OE2-NZ 2.63Å
7M42Very low44Very low127 Ų127136.3 Ų136.363%0.62674%0.737SS**  69.1122.753.9-168.4-151.9-62.400112.9Q5Q5-M7 HydrophobicContact CG-CE 4.14Å
8K47.8Very low43.8Very low114 Ų114140.1 Ų140.150%0.49675%0.745SS.*  171112.4122.8-86.5146.6-164.5165.70114.3E6E6-K8 WeakPolarHBondContact OE1-CE 2.99Å; E6-K8 IonicContact OE1-NZ 2.69Å; E6-K8 PolarHBondContact OE1-NZ 2.69Å; E6-K8 IonicContact OE2-NZ 2.63Å; E6-K8 PolarHBondContact OE2-NZ 2.63Å
9R44.1Very low43.5Very low181 Ų181136.7 Ų136.768%0.68375%0.747SS**  43.5133.9128.4-48.2171.7-64-163.5-3.8118
10R42.8Very low43.1Very low200 Ų200135.5 Ų135.576%0.75575%0.75SS**  171.1147.985.4-90.4-172.1-161.4-100.35.6108.7
11M39.6Very low42.9Very low152 Ų152132.1 Ų132.175%0.74975%0.746SS**  cis-145.5156.1-12.7-65.7-158.950.600109.9
12S43Very low43Very low109 Ų109130.2 Ų130.276%0.76273%0.734SS**  trans-91168.2158.8-400000110.9
13P58.2Low43Very low113 Ų113129.4 Ų129.473%0.73474%0.739SS**  trans-141.5132136.434-18.3000115.3
14L42.1Very low43.2Very low180 Ų180126 Ų12694%0.94274%0.735SS**  trans63.9141.7149.2-52.9166.4000119.1
15G39.5Very low43.1Very low69 Ų69130.3 Ų130.371%0.71174%0.743SS**  cis137.3132.1-1600000115.5
16A38Very low42.8Very low107 Ų107127.4 Ų127.488%0.88474%0.741SS**  trans75.2152.6171.500000117.8
17S38.5Very low42.4Very low86 Ų86126.2 Ų126.260%0.60175%0.752SS**  cis-172.8179.5-25.7-165.90000110.2
18F39.2Very low42.3Very low204 Ų204124.1 Ų124.190%0.89576%0.755SS**  trans68.1149.3176.1-39.8-74.9000115
19G37.8Very low41.9Very low76 Ų76127.5 Ų127.578%0.78478%0.775SS**  cis165.5170.2-5.400000107.5
20S37.1Very low41.7Very low113 Ų113122.4 Ų122.479%0.7977%0.771SS**  cis167.596.5-8.6163.20000107.6
21G38.5Very low41.6Very low65 Ų65119.1 Ų119.167%0.6778%0.779SS**  trans72.4171.3172.300000115.9
22H41.4Very low41.4Very low187 Ų187114.9 Ų114.987%0.86677%0.774SS**  cis-150.2-176.5-7.9-73115.1000106.8
23S42.6Very low41Very low118 Ų118113.9 Ų113.983%0.82577%0.767SS**  cis-156.5175.219.549.80000112.3
24S50.3Low40.8Very low102 Ų102114.3 Ų114.371%0.71377%0.77SS**  trans-110.7-164.4-170.656.80000114.7
25D45.7Very low40.3Very low150 Ų150111.5 Ų111.580%0.80276%0.756SS**  trans88.2140.9171.1-69.3-27.9000117.9
26S41.2Very low40.1Very low100 Ų100113.2 Ų113.270%0.69975%0.753SS**  cis-169.5167.1-11.253.30000113
27A41.9Very low40Very low97 Ų97111.1 Ų111.180%0.80274%0.735SS**  trans70.9150.7152.500000119.3
28A38.5Very low39.9Very low83 Ų83112.8 Ų112.869%0.68674%0.742SS**  cis-171145.2-15.400000112.8
29M39Very low39.5Very low186 Ų186109.2 Ų109.292%0.91673%0.732SS**  trans54161148.8-56.8-63.1-173.200121.3
30A40.1Very low39.4Very low74 Ų74114.3 Ų114.361%0.61274%0.736SS**  cis172.1139.9-44.100000109.5
31S42.2Very low38.9Very low130 Ų130117.6 Ų117.691%0.90974%0.738SS**  trans64.3141.4162.2710000120.3
32G33.7Very low39.2Very low64 Ų64119.6 Ų119.666%0.6674%0.739SS**  trans159.389.6163.700000118.4
33S35.3Very low38.9Very low87 Ų87114.2 Ų114.261%0.60873%0.728SS**  trans-136.7143.4159.2-73.50000106.8
34P53.6Low38.4Very low122 Ų122116.9 Ų116.979%0.79273%0.727SS**  -153.3166.869.542.3-22.7000118.4
35D33.4Very low37.5Very low122 Ų122117.8 Ų117.865%0.65273%0.728SS**  trans43.7149.9134.6-156.927.9000125.4
36V33.6Very low36.8Very low105 Ų105117.3 Ų117.364%0.63672%0.721SS**  trans98.2124.6143.7114.60000122.7
37A37Very low36.5Very low63 Ų63116 Ų11652%0.52170%0.704SS.*  trans78.9118144.500000124.7
38T35.7Very low36.3Very low121 Ų121119.1 Ų119.174%0.74271%0.707SS**  trans78.4125.7130.4540000125.1
39N30.9Very low36.1Very low129 Ų129121.1 Ų121.169%0.6972%0.715SS**  trans69.7115.1138.1-75.6-58.8000123.6
40Q36.5Very low36.2Very low183 Ų183118.2 Ų118.286%0.85571%0.712SS**  trans77.7150.9134.8-67.2-176.947.900122.7
41E26Very low36Very low182 Ų182117.8 Ų117.885%0.8572%0.716SS**  trans-56.4174.3173.3-96-174.574.500116.1
42P44.9Very low36.7Very low106 Ų106121.7 Ų121.769%0.68872%0.716SS**  cis-134.7172.313.441.4-24.7000117.4
43A34.5Very low37.3Very low75 Ų75127 Ų12762%0.6272%0.721SS**  trans37.4147.7135.900000122.6
44E32.4Very low37.9Very low173 Ų173131.7 Ų131.781%0.80873%0.73SS**  cis-176.6154.2-3.7-109.5178.9106.500106.7
45V32.4Very low37.2Very low121 Ų121130.9 Ų130.973%0.73373%0.728SS**  cis-148.4148.4-19-128.90000106.2
46Q29.2Very low37.5Very low141 Ų141132.8 Ų132.866%0.65973%0.73SS**  trans-153.9120.1164-113.7176.3-75.900112.6N1016Q46-N1016 WeakPolarHBondContact CB-O 3.48Å; Q46-N1016 WeakPolarHBondContact CG-O 3.42Å; Q46-N1016 PolarHBondContact NE2-O 2.6Å
47E36.5Very low38.3Very low73 Ų73135.9 Ų135.934%0.34174%0.735SS.*SBendtrans51.5141.9177-130.3156.3-121.300122.7G1015 N1016 K1017E47-G1015 VanDerWaalsContact CA-O 3.28Å; E47-G1015 WeakPolarHBondContact CA-O 3.49Å; E47-G1015 WeakPolarHBondContact CB-O 3.17Å; E47-G1015 WeakPolarHBondContact CG-O 3.36Å; E47-G1015 PolarHBondContact N-O 2.76Å; E47-N1016 VanDerWaalsContact CD-CA 3.5Å; E47-N1016 WeakPolarHBondContact OE1-CA 3.31Å; E47-K1017 VanDerWaalsContact OE2-CE 3.25Å; E47-K1017 WeakPolarHBondContact OE2-CE 3.49Å; E47-K1017 WeakPolarHBondContact OE2-CG 3.44Å; E47-K1017 PolarHBondContact OE2-N 2.61Å
48D37.3Very low39.2Very low161 Ų161139.5 Ų139.586%0.86174%0.742SS**  trans-62.2128.2-163.9-64.9-99.2000117.1
49C33.7Very low39.6Very low126 Ų126139.4 Ų139.485%0.85174%0.741SS**  trans-105.3120.9170.8-78.90000113.1
50S41.8Very low40.7Very low124 Ų124142.7 Ų142.787%0.86775%0.75SS**  trans22.6121.3139168.80000119.1
51G35.2Very low41.7Very low66 Ų66143 Ų14368%0.6875%0.748SS**  trans-158.974.3173.500000118.4K53G51-K53 PolarHBondContact O-N 3.36Å
52K56.6Low43.4Very low212 Ų212143 Ų14392%0.92275%0.745SS**  trans-55.6124160.3-70.4176.9178.31750110
53K46.9Very low43.6Very low174 Ų174145.6 Ų145.676%0.75775%0.752SS**  trans-154.3111.8172.1-105.8154.4-169.4167.60114.9G51G51-K53 PolarHBondContact O-N 3.36Å
54K46.8Very low44.5Very low186 Ų186152.2 Ų152.281%0.80977%0.767SS**  trans17.6129139.373.6-160.3-177.1177.80119.9
55S39.6Very low44.8Very low106 Ų106147.9 Ų147.974%0.74176%0.761SS**  trans-158.5135.7139.1-140.90000107.1
56K40.3Very low45.7Very low162 Ų162152.9 Ų152.970%0.70477%0.767SS**  cis64.9104.337.8-151.5172.8-174.2177.80108.5
57F50.8Low46.5Very low169 Ų169156.2 Ų156.274%0.74178%0.779SS**  -125137.255.7-70.3-91.3000111.6
58Q55.1Low47.2Very low140 Ų140161 Ų16165%0.65480%0.799SS**  84.3117.161.9-173.2178.183.100113.1
59T44.8Very low47.2Very low118 Ų118164.9 Ų164.972%0.72480%0.802SS**  trans-66.7129.8179.550.80000113.1K61T59-K61 PolarHBondContact O-N 2.72Å
60F52.3Low47.1Very low199 Ų199166.2 Ų166.287%0.87379%0.793SS**  trans-76.238.6177-61.5-79.3000114.8K62F60-K62 PolarHBondContact O-N 3.01Å
61K58.3Low46.6Very low189 Ų189165.9 Ų165.982%0.82278%0.778SS**  trans-76.172.8168.1-79.7-173.967.4167.80110.7T59T59-K61 PolarHBondContact O-N 2.72Å
62K61.4Low46.6Very low182 Ų182168.7 Ų168.779%0.79178%0.784SS**  trans179.795.3157.7-106.2168.263.9177.60112.2F60F60-K62 PolarHBondContact O-N 3.01Å
63L50.4Low45.1Very low160 Ų160165.4 Ų165.484%0.83877%0.772SS**SBendtrans-132.7-25.2160.1-79.8178.6000114.3
64F52.7Low44.2Very low214 Ų214164.5 Ų164.594%0.93978%0.775SS**SBendtrans-109.677.8176.8-66.6-74.3000112.7
65A38Very low43.3Very low82 Ų82160.3 Ų160.368%0.67878%0.775SS**  trans-14994.9170.700000111.8
66R51.8Low42.9Very low226 Ų226158.5 Ų158.585%0.85377%0.773SS**  trans-10.6124.3172.8-92146.456.4147.2-13.4117.9
67K45Very low42.6Very low211 Ų211157.2 Ų157.292%0.91778%0.779SS**  trans-104.2107.7159.3-175.5177.469.1-177.80110.3
68K52.4Low41.5Very low174 Ų174157.9 Ų157.976%0.75778%0.784SS**  trans-83.6144.8172.7-79.2-142.5-179.5-172.30112.5
69R36.8Very low40.4Very low243 Ų243159.4 Ų159.492%0.91779%0.791SS**  trans159.7134159.3178.5-176.2-57.6-176.12108.6
70K32.2Very low39.8Very low154 Ų154157 Ų15767%0.6779%0.79SS**  cis-163.9150.4-7.2159.570.6-176.4172.50109.4
71E30.7Very low39.3Very low117 Ų117155.8 Ų155.855%0.54779%0.791SS.*  trans-39162.8170.5-67.9157.782.800118.2Q73E71-Q73 HydrophobicContact CB-CG 4.27Å; E71-Q73 WeakPolarHBondContact OE1-CG 2.76Å
72P34.8Very low38.1Very low125 Ų125156.9 Ų156.981%0.81280%0.796SS**  -111.2142.566.435.8-33.1000113.9
73Q26.8Very low36.6Very low142 Ų142151.6 Ų151.666%0.66479%0.794SS**  cis87.995.649.2-78.4-157.5-9400116.4E71E71-Q73 HydrophobicContact CB-CG 4.27Å; E71-Q73 WeakPolarHBondContact OE1-CG 2.76Å
74N26.3Very low35.8Very low155 Ų155149.3 Ų149.383%0.82979%0.791SS**  -175.6123.2126.3-90.9-17.5000107.5
75A28.9Very low34.8Very low98 Ų98147.4 Ų147.481%0.8179%0.785SS**  79.8115.664.300000112.5
76G31.5Very low34.5Very low68 Ų68148.4 Ų148.470%0.70179%0.787SS**  cis165-162.9-3.200000112.8
77V32.8Very low33.8Very low135 Ų135142 Ų14282%0.81878%0.777SS**  trans72.7115178.6-158.20000112.6
78E28.9Very low33.4Very low183 Ų183138 Ų13886%0.85577%0.765SS**  cis75.2159.447.6-80.3-78.2-164.500116.3
79E32.6Very low32.4Very low173 Ų173135.9 Ų135.981%0.80876%0.762SS**  trans83.296.8159.4-162157.7-134.400120.6
80G32Very low32.5Very low67 Ų67129.8 Ų129.869%0.69175%0.752SS**  trans94.6163.1146.100000117.5
81L40.2Very low32.6Very low173 Ų173127.1 Ų127.191%0.90675%0.753SS**  cis-142.8158.2-2.5-72.2173.9000110.6
82K33.8Very low32.7Very low213 Ų213130.3 Ų130.393%0.92677%0.765SS**  trans-85.2126165.1-80.5-167.7174.4-169.80110.8
83G30.6Very low32.9Very low71 Ų71130.5 Ų130.573%0.73276%0.764SS**  trans73.6113.1143.100000119.8
84S32.8Very low33.2Very low111 Ų111127.9 Ų127.978%0.77676%0.761SS**  trans-163.6132.8137.6-74.50000106.7
85Q32Very low33.8Very low174 Ų174127.9 Ų127.981%0.81376%0.756SS**  cis90.6121.235.9-167.1-162.26.300113
86S30.9Very low34.1Very low103 Ų103129.6 Ų129.672%0.7275%0.752SS**  trans72.3151.5162.181.20000116.8
87S38.3Very low34.1Very low92 Ų92132.6 Ų132.664%0.64375%0.752SS**  cis-173.4163-8-114.50000112.6
88D35.4Very low34Very low126 Ų126131.3 Ų131.367%0.67474%0.744SS**  trans40.4143.1135.2-63.3-111.9000121.4
89N33.2Very low34.1Very low130 Ų130130.2 Ų130.270%0.69574%0.744SS**  cis-174.4158.717.3-128.7-29.3000117.5
90V37Very low34.2Very low116 Ų116128 Ų12870%0.70374%0.742SS**  trans47.2138.7155.4-1450000124.8
91S34.7Very low34.1Very low98 Ų98134.9 Ų134.969%0.68575%0.747SS**  trans86.2136145.841.60000120.4
92K33.8Very low33.8Very low183 Ų183130 Ų13080%0.79673%0.727SS**  cis-163.1146.314.2-126.3166.8-173.1176.80113.3
93T38.9Very low33.6Very low129 Ų129126.8 Ų126.879%0.79172%0.716SS**  trans57.8140.6155.245.90000119.6
94S32Very low33.8Very low88 Ų88130.6 Ų130.662%0.61571%0.712SS**  cis-163124.9-2.953.70000109
95E38.6Very low33.8Very low154 Ų154131 Ų13172%0.7270%0.702SS**  79.6144.79594.7-178.273.800116.1
96N35.4Very low34.2Very low134 Ų134131.5 Ų131.572%0.71770%0.701SS**  cis-112.2-106.6-2.1-75.5-74.6000112.9
97N32Very low34.5Very low131 Ų131129.8 Ų129.870%0.70170%0.699SS**  cis-161127.1-3.4179.768.8000114.4
98T30Very low34.3Very low108 Ų108131.8 Ų131.866%0.66371%0.714SS**  trans25.1128.5135.3-36.70000120.8
99L31.5Very low34.2Very low161 Ų161128.7 Ų128.784%0.84371%0.712SS**  cis-151.1170.13.4-16460.9000111.6
100T34.8Very low34.5Very low126 Ų126128.3 Ų128.377%0.77372%0.719SS**  trans-119.4157.4179.152.60000114
101R29.7Very low34.8Very low211 Ų211132.4 Ų132.480%0.79672%0.722SS**  trans167.3169.6148.1-93.6-161.791.5-173.44.3109.3E103R101-E103 IonicContact CZ-OE2 2.72Å; R101-E103 IonicContact NH2-OE2 3.07Å; R101-E103 PolarHBondContact NH2-OE2 3.31Å
102S34.3Very low34.8Very low70 Ų70134.6 Ų134.649%0.4972%0.724SS.*  167.8153.9-51.660.20000109.2
103E30.2Very low35.1Very low147 Ų147130.6 Ų130.669%0.68772%0.72SS**  trans68.8166163.1-68.2178.896.700117.5R101R101-E103 IonicContact CZ-OE2 2.72Å; R101-E103 IonicContact NH2-OE2 3.07Å; R101-E103 PolarHBondContact NH2-OE2 3.31Å
104K34Very low35.5Very low151 Ų151132.2 Ų132.266%0.65772%0.722SS**  cis179.7153.9-31.5-171.7-162179-154.40109.1
105E33.2Very low35.8Very low118 Ų118130.8 Ų130.855%0.55172%0.722SS**  trans75.1137.9148.9-108.1-178.1131.800123.3
106K41.3Very low36Very low186 Ų186130.8 Ų130.881%0.80973%0.727SS**  trans64.3148.1157.5-55.3178.5-161.4-178.30118
107G35.2Very low36.5Very low66 Ų66133.1 Ų133.168%0.6873%0.731SS**  cis158.9151.5-1000000113.4
108S35.2Very low37.6Very low135 Ų135131.8 Ų131.894%0.94474%0.738SS**  trans69.2152.9-179.3-141.90000115.7
109G33.5Very low38.4Very low61 Ų61134.1 Ų134.163%0.62975%0.746SS**  cis158108.1-19.300000116.4
110S38.4Very low38.9Very low122 Ų122132 Ų13285%0.85374%0.744SS**  trans70.5165168.4-132.10000114.7
111R44.1Very low39.9Very low201 Ų201135.2 Ų135.276%0.75875%0.75SS**  cis-167.4152.520.8-162.3-173.1166.1148-3.1112.5
112I35.2Very low40.4Very low144 Ų144132.7 Ų132.774%0.73875%0.752SS**  trans54.9167.7159.158.5169.6000118.2
113S39.7Very low41.1Very low100 Ų100133.2 Ų133.270%0.69976%0.756SS**  cis-139.1161.21.1-37.70000112.2
114L46.5Very low41.8Very low162 Ų162132.9 Ų132.985%0.84876%0.764SS**  trans-76.9146.1169.4-66.881.4000111.8
115G39.3Very low42.1Very low59 Ų59134.3 Ų134.361%0.60877%0.77SS**  trans-143.548.6-177.800000115.2K117G115-K117 PolarHBondContact O-N 2.58Å
116N43.1Very low42Very low154 Ų154135.1 Ų135.182%0.82478%0.783SS**  trans-39.4119.9-175.3-67-18.3000115
117K46.5Very low42.1Very low182 Ų182131.4 Ų131.479%0.79178%0.78SS**  trans-151.3132.2153.224.8-173171.9-65.70109.4G115G115-K117 PolarHBondContact O-N 2.58Å
118A54.9Low41.9Very low103 Ų103135.1 Ų135.185%0.85178%0.784SS**  trans-99.6120.3178.100000108.9
119L45.3Very low42.3Very low158 Ų158134 Ų13483%0.82778%0.777SS**  trans-113.7151.6162.7-97.781000110
120S43Very low42.6Very low116 Ų116136.6 Ų136.681%0.81179%0.785SS**  trans-95.3116.6-176.749.90000111.1D122S120-D122 PolarHBondContact O-N 3.27Å
121H55.9Low42.9Very low193 Ų193139.2 Ų139.289%0.89478%0.784SS**  trans-77.6109.9158.2-66-86.9000108.4
122D39.7Very low42.6Very low158 Ų158133.5 Ų133.585%0.84578%0.78SS**  trans-80.9161.9155.6-148.9-21.1000108.9S120S120-D122 PolarHBondContact O-N 3.27Å
123S49.3Very low42.6Very low81 Ų81132.4 Ų132.457%0.56678%0.775SS**  trans-97.3125.5-161.4-175.70000113F125S123-F125 WeakPolarHBondContact OG-CE2 3.41Å
124V44.4Very low42.9Very low140 Ų140132.7 Ų132.785%0.84877%0.765SS**  trans-105.7131.1154.4-69.30000109.2
125F40.8Very low42.5Very low182 Ų182127.6 Ų127.680%0.79875%0.752SS**  trans-97.2127.4168.8-81.7-105.1000107.8S123S123-F125 WeakPolarHBondContact OG-CE2 3.41Å
126V31.4Very low42.8Very low134 Ų134131.3 Ų131.381%0.81276%0.758SS**  trans-107.8122.6152.6-178.20000106.2
127S43.2Very low42.7Very low108 Ų108127 Ų12776%0.75575%0.749SS**  trans-94.1107.6169.4-640000107.4
128D31.8Very low42.6Very low144 Ų144122.9 Ų122.977%0.7775%0.749SS**  trans-92152.3168-147-22.7000110.1
129S41.5Very low42.2Very low113 Ų113123.6 Ų123.679%0.7975%0.748SS**  trans-154105.9-176.5-72.30000110.4
130S39.9Very low42.2Very low115 Ų115124.8 Ų124.880%0.80475%0.749SS**  trans-122.4134.4170.747.70000110.2
131E44.9Very low42.6Very low177 Ų177124.3 Ų124.383%0.82774%0.737SS**  trans-136119.7-179170.1-17486.500105.4
132A37.5Very low42.8Very low80 Ų80118.2 Ų118.266%0.66172%0.716SS**  trans-175.7119.1163.900000113.9E982A132-E982 WeakPolarHBondContact CA-OE1 3.49Å; A132-E982 VanDerWaalsContact N-CD 3.3Å; A132-E982 PolarHBondContact N-OE1 2.59Å; A132-E982 VanDerWaalsContact N-OE1 3.13Å; A132-E982 PolarHBondContact N-OE2 3.47Å
133N36.1Very low44.2Very low121 Ų121116.9 Ų116.965%0.64771%0.708SS**  trans76.299.2158.4-17994.8000116.8E982N133-E982 VanDerWaalsContact N-CD 3.28Å; N133-E982 PolarHBondContact N-OE1 2.86Å
134E45.3Very low45.5Very low106 Ų106119.7 Ų119.750%0.49571%0.712SS.*  85.3113.162.5-70.4-164.9153.800114.9E984E134-E984 CarbonylContact C-O 3.6Å
135G39.2Very low47.5Very low55 Ų55114.7 Ų114.757%0.56769%0.689SS**  trans-178.555.5-17500000119.6S983 E984G135-S983 CarbonylContact C-O 3.52Å; G135-S983 PolarHBondContact N-O 3.05Å; G135-E984 CarbonylContact C-O 3.57Å; G135-E984 WeakPolarHBondContact CA-O 3.41Å; G135-E984 PolarHBondContact N-O 3.46Å
136L45.3Very low49.7Very low138 Ų138111.1 Ų111.172%0.72367%0.673SS**  trans80.768.1160.2-65.4160.2000121.5S983 E984L136-S983 PolarHBondContact N-O 2.81Å; L136-S983 VanDerWaalsContact N-O 3.08Å; L136-E984 PolarHBondContact N-O 2.96Å
137G41.6Very low52.5Low63 Ų63108.1 Ų108.165%0.64966%0.655SS**  25.5107.5128.100000123.7S983G137-S983 PolarHBondContact N-O 3.26Å
138A42.8Very low54.7Low95 Ų95109.9 Ų109.979%0.78565%0.649SS**SBendtrans-154141.7134.400000111.3
139S48.3Very low57.5Low118 Ų118106.6 Ų106.683%0.82564%0.637SS**  trans61.942.6173.1-60.70000117.4D141S139-D141 VanDerWaalsContact C-N 3.34Å; S139-D141 PolarHBondContact O-N 2.68Å
140Q44.2Very low59.9Low183 Ų183106.4 Ų106.486%0.85563%0.627SS**  trans-66.794163.1-162-164.55900110.1S142Q140-S142 PolarHBondContact O-N 2.91Å
141D51.2Low62.3Low106 Ų106106.1 Ų106.157%0.56761%0.612SS**  trans-83.477.2-161.3-156.4-10.1000111.7S139 I143 K146S139-D141 VanDerWaalsContact C-N 3.34Å; S139-D141 PolarHBondContact O-N 2.68Å; D141-I143 PolarHBondContact O-N 3.3Å; D141-I143 VanDerWaalsContact O-N 3.1Å; D141-K146 WeakPolarHBondContact OD1-CE 3.07Å; D141-K146 IonicContact OD1-NZ 3.31Å; D141-K146 PolarHBondContact OD1-NZ 2.8Å; D141-K146 WeakPolarHBondContact OD2-CE 3.19Å; D141-K146 IonicContact OD2-NZ 2.58Å; D141-K146 PolarHBondContact OD2-NZ 2.85Å
142S60.3Low64.5Low65 Ų65102.4 Ų102.446%0.45560%0.598SS.*  trans-32.5106.5-166.7-173.90000114.5Q140 H144 G145 K146Q140-S142 PolarHBondContact O-N 2.91Å; S142-H144 PolarHBondContact O-N 3.29Å; S142-G145 CarbonylContact O-C 2.92Å; S142-G145 WeakPolarHBondContact O-CA 2.97Å; S142-G145 PolarHBondContact O-N 3.06Å; S142-G145 PolarHBondContact OG-N 3.31Å; S142-K146 PolarHBondContact O-N 3.31Å
143I70Confident67.1Low131 Ų131104.3 Ų104.367%0.67259%0.593SS**Hα-helixtrans-57.6-40.4179.8-53.9173.3000110D141 G145 K146 V147D141-I143 PolarHBondContact O-N 3.3Å; D141-I143 VanDerWaalsContact O-N 3.1Å; I143-G145 PolarHBondContact O-N 2.84Å; I143-K146 PolarHBondContact O-N 3.44Å; I143-V147 HydrophobicContact CG2-CG2 4.44Å; I143-V147 WeakPolarHBondContact O-CB 3.44Å; I143-V147 VanDerWaalsContact O-CG2 3.31Å; I143-V147 WeakPolarHBondContact O-CG2 3.42Å; I143-V147 PolarHBondContact O-N 3.27Å
144H75.5Confident69.7Low139 Ų139103.2 Ų103.264%0.64459%0.587SS**Hα-helixtrans-64.1-37.2173.6-69.1105.5000113.2S142 K148S142-H144 PolarHBondContact O-N 3.29Å; H144-K148 VanDerWaalsContact O-CB 3.3Å; H144-K148 WeakPolarHBondContact O-CB 3.19Å; H144-K148 WeakPolarHBondContact O-CD 3.25Å; H144-K148 WeakPolarHBondContact O-CG 3.07Å; H144-K148 PolarHBondContact O-N 3.46Å
145G87.3Confident71.5Confident35 Ų35105.3 Ų105.336%0.36159%0.594SS.*Hα-helixtrans-63.6-46.7171.700000112.1S142 I143 K148 S149S142-G145 CarbonylContact O-C 2.92Å; S142-G145 WeakPolarHBondContact O-CA 2.97Å; S142-G145 PolarHBondContact O-N 3.06Å; S142-G145 PolarHBondContact OG-N 3.31Å; I143-G145 PolarHBondContact O-N 2.84Å; G145-K148 PolarHBondContact O-N 3.14Å; G145-S149 VanDerWaalsContact O-CB 3.28Å; G145-S149 WeakPolarHBondContact O-CB 3.3Å; G145-S149 PolarHBondContact O-N 2.99Å
146K85.8Confident73.5Confident107 Ų107108.8 Ų108.847%0.46560%0.596SS.*Hα-helixtrans-62.1-44.2175.4-73.9177174.3167.40112.7D141 S142 I143 S149 L150D141-K146 WeakPolarHBondContact OD1-CE 3.07Å; D141-K146 IonicContact OD1-NZ 3.31Å; D141-K146 PolarHBondContact OD1-NZ 2.8Å; D141-K146 WeakPolarHBondContact OD2-CE 3.19Å; D141-K146 IonicContact OD2-NZ 2.58Å; D141-K146 PolarHBondContact OD2-NZ 2.85Å; S142-K146 PolarHBondContact O-N 3.31Å; I143-K146 PolarHBondContact O-N 3.44Å; K146-S149 PolarHBondContact O-N 3.37Å; K146-L150 VanDerWaalsContact O-CB 3.29Å; K146-L150 WeakPolarHBondContact O-CB 3.27Å; K146-L150 PolarHBondContact O-N 3.41Å
147V91.9Very high74.6Confident71 Ų71105.9 Ų105.943%0.4359%0.592SS.*Hα-helixtrans-65.7-41.9176.8169.70000111.4I143 L150 Q151I143-V147 HydrophobicContact CG2-CG2 4.44Å; I143-V147 WeakPolarHBondContact O-CB 3.44Å; I143-V147 VanDerWaalsContact O-CG2 3.31Å; I143-V147 WeakPolarHBondContact O-CG2 3.42Å; I143-V147 PolarHBondContact O-N 3.27Å; V147-L150 PolarHBondContact O-N 3.4Å; V147-Q151 WeakPolarHBondContact O-CB 3.09Å; V147-Q151 WeakPolarHBondContact O-CG 3.32Å; V147-Q151 PolarHBondContact O-N 3.18Å
148K89Confident76Confident146 Ų146107.7 Ų107.764%0.63559%0.586SS**Hα-helixtrans-65.5-40.8174.6-74.4169.8-177.5174.80111.9H144 G145 Q151 L152H144-K148 VanDerWaalsContact O-CB 3.3Å; H144-K148 WeakPolarHBondContact O-CB 3.19Å; H144-K148 WeakPolarHBondContact O-CD 3.25Å; H144-K148 WeakPolarHBondContact O-CG 3.07Å; H144-K148 PolarHBondContact O-N 3.46Å; G145-K148 PolarHBondContact O-N 3.14Å; K148-Q151 PolarHBondContact O-N 2.91Å; K148-L152 WeakPolarHBondContact O-CB 3.47Å; K148-L152 PolarHBondContact O-N 3Å
149S89.8Confident76.7Confident74 Ų74113 Ų11352%0.51759%0.585SS.*Hα-helixtrans-61.9-46.8173.8-173.20000111.3G145 K146 Q151 L152 Q153G145-S149 VanDerWaalsContact O-CB 3.28Å; G145-S149 WeakPolarHBondContact O-CB 3.3Å; G145-S149 PolarHBondContact O-N 2.99Å; K146-S149 PolarHBondContact O-N 3.37Å; S149-Q151 PolarHBondContact O-N 3.03Å; S149-L152 PolarHBondContact O-N 2.89Å; S149-Q153 VanDerWaalsContact O-CB 3.29Å; S149-Q153 WeakPolarHBondContact O-CB 3.33Å; S149-Q153 PolarHBondContact O-N 3.33Å
150L91.3Very high77.2Confident110 Ų110114.7 Ų114.758%0.57658%0.584SS**Hα-helixtrans-64.4-40.6176.8-17761.2000112.1K146 V147 L154K146-L150 VanDerWaalsContact O-CB 3.29Å; K146-L150 WeakPolarHBondContact O-CB 3.27Å; K146-L150 PolarHBondContact O-N 3.41Å; V147-L150 PolarHBondContact O-N 3.4Å; L150-L154 WeakPolarHBondContact O-CB 3.48Å; L150-L154 PolarHBondContact O-N 2.76Å
151Q92.3Very high77.3Confident108 Ų108109.3 Ų109.351%0.50558%0.578SS.*Hα-helixtrans-64.2-39.1172.8-77.7-1715.900112.3V147 K148 S149 L154 K155V147-Q151 WeakPolarHBondContact O-CB 3.09Å; V147-Q151 WeakPolarHBondContact O-CG 3.32Å; V147-Q151 PolarHBondContact O-N 3.18Å; K148-Q151 PolarHBondContact O-N 2.91Å; S149-Q151 PolarHBondContact O-N 3.03Å; Q151-L154 PolarHBondContact O-N 3.33Å; Q151-K155 WeakPolarHBondContact O-CB 3.4Å; Q151-K155 VanDerWaalsContact O-CG 3.28Å; Q151-K155 WeakPolarHBondContact O-CG 3.34Å; Q151-K155 PolarHBondContact O-N 2.85Å
152L90.6Very high77.3Confident100 Ų100109.5 Ų109.552%0.52459%0.587SS.*Hα-helixtrans-69.2-44.3177.1-177.761.3000111.2K148 S149 L154 K155 Q156K148-L152 WeakPolarHBondContact O-CB 3.47Å; K148-L152 PolarHBondContact O-N 3Å; S149-L152 PolarHBondContact O-N 2.89Å; L152-L154 VanDerWaalsContact C-N 3.31Å; L152-L154 PolarHBondContact O-N 3.19Å; L152-K155 PolarHBondContact O-N 3.19Å; L152-Q156 WeakPolarHBondContact O-CG 3.48Å; L152-Q156 PolarHBondContact O-N 2.82Å
153Q91.8Very high76.9Confident120 Ų120112.1 Ų112.156%0.56160%0.603SS**Hα-helixtrans-61.2-40.2173.8-172.4178.910.600110.9S149 Q156 A157S149-Q153 VanDerWaalsContact O-CB 3.29Å; S149-Q153 WeakPolarHBondContact O-CB 3.33Å; S149-Q153 PolarHBondContact O-N 3.33Å; Q153-Q156 CarbonylContact O-C 3.6Å; Q153-Q156 PolarHBondContact O-N 3.25Å; Q153-A157 WeakPolarHBondContact O-CB 3.49Å; Q153-A157 PolarHBondContact O-N 3.26Å
154L90.1Very high75.7Confident98 Ų98111.1 Ų111.151%0.51361%0.605SS.*Hα-helixtrans-68.3-38.3175.4-165.968.3000111.7L150 Q151 L152 Q156 A157 I158L150-L154 WeakPolarHBondContact O-CB 3.48Å; L150-L154 PolarHBondContact O-N 2.76Å; Q151-L154 PolarHBondContact O-N 3.33Å; L152-L154 VanDerWaalsContact C-N 3.31Å; L152-L154 PolarHBondContact O-N 3.19Å; L154-Q156 VanDerWaalsContact C-N 3.3Å; L154-Q156 PolarHBondContact O-N 3.07Å; L154-A157 PolarHBondContact O-N 2.75Å; L154-I158 HydrophobicContact CD1-CD1 3.71Å; L154-I158 HydrophobicContact CD1-CG1 3.95Å; L154-I158 HydrophobicContact CD2-CD1 4.34Å; L154-I158 HydrophobicContact CG-CD1 3.75Å; L154-I158 HydrophobicContact CG-CG1 4.15Å; L154-I158 WeakPolarHBondContact O-CA 3.28Å; L154-I158 WeakPolarHBondContact O-CB 3.36Å; L154-I158 WeakPolarHBondContact O-CG1 3.39Å; L154-I158 PolarHBondContact O-N 3.11Å
155K82.6Confident74.3Confident150 Ų150109.6 Ų109.665%0.65261%0.61SS**Hα-helixtrans-66-29.1171.7-76.1170.9178176.40113Q151 L152Q151-K155 WeakPolarHBondContact O-CB 3.4Å; Q151-K155 VanDerWaalsContact O-CG 3.28Å; Q151-K155 WeakPolarHBondContact O-CG 3.34Å; Q151-K155 PolarHBondContact O-N 2.85Å; L152-K155 PolarHBondContact O-N 3.19Å
156Q81Confident72.7Confident127 Ų127115.6 Ų115.659%0.59363%0.633SS**Hα-helixtrans-84.5-32.3175.1-70.5179.910.900113.2L152 Q153 L154 R159L152-Q156 WeakPolarHBondContact O-CG 3.48Å; L152-Q156 PolarHBondContact O-N 2.82Å; Q153-Q156 CarbonylContact O-C 3.6Å; Q153-Q156 PolarHBondContact O-N 3.25Å; L154-Q156 VanDerWaalsContact C-N 3.3Å; L154-Q156 PolarHBondContact O-N 3.07Å; Q156-R159 VanDerWaalsContact O-CG 3.29Å; Q156-R159 WeakPolarHBondContact O-CG 3.49Å
157A70.3Confident70.5Confident78 Ų78118.2 Ų118.265%0.64565%0.649SS**Hα-helixtrans-80.2-43.5178.100000111.8Q153 L154 R159Q153-A157 WeakPolarHBondContact O-CB 3.49Å; Q153-A157 PolarHBondContact O-N 3.26Å; L154-A157 PolarHBondContact O-N 2.75Å; A157-R159 PolarHBondContact O-N 2.97Å
158I69.4Low68.2Low101 Ų101120.9 Ų120.952%0.51867%0.669SS.*THydrogen-bonded Turntrans-82.248.3163.8-41.1178000109.2L154 L160L154-I158 HydrophobicContact CD1-CD1 3.71Å; L154-I158 HydrophobicContact CD1-CG1 3.95Å; L154-I158 HydrophobicContact CD2-CD1 4.34Å; L154-I158 HydrophobicContact CG-CD1 3.75Å; L154-I158 HydrophobicContact CG-CG1 4.15Å; L154-I158 WeakPolarHBondContact O-CA 3.28Å; L154-I158 WeakPolarHBondContact O-CB 3.36Å; L154-I158 WeakPolarHBondContact O-CG1 3.39Å; L154-I158 PolarHBondContact O-N 3.11Å; I158-L160 VanDerWaalsContact C-N 3.26Å; I158-L160 HydrophobicContact CG2-CD2 4.29Å; I158-L160 PolarHBondContact O-N 3.31Å
159R58.8Low66Low205 Ų205120.5 Ų120.577%0.77468%0.679SS**  trans-63.3100.2152-88.2-177.872.6162.45.2106.2Q156 A157 G161Q156-R159 VanDerWaalsContact O-CG 3.29Å; Q156-R159 WeakPolarHBondContact O-CG 3.49Å; A157-R159 PolarHBondContact O-N 2.97Å; R159-G161 PolarHBondContact O-N 2.91Å
160L57.8Low63.8Low154 Ų154126 Ų12681%0.80669%0.693SS**  trans-48.9105.6168.3-66.1171.4000107.4I158 S162I158-L160 VanDerWaalsContact C-N 3.26Å; I158-L160 HydrophobicContact CG2-CD2 4.29Å; I158-L160 PolarHBondContact O-N 3.31Å; L160-S162 PolarHBondContact O-N 3.3Å; L160-S162 VanDerWaalsContact O-N 3.09Å
161G46.8Very low61.8Low70 Ų70130.3 Ų130.372%0.72271%0.707SS**PPolyproline II helixtrans-62.1116.7177.300000107.5R159R159-G161 PolarHBondContact O-N 2.91Å
162S52.1Low59.6Low110 Ų110130.9 Ų130.977%0.76972%0.719SS**PPolyproline II helixtrans-47.4126.7176.3-56.10000108.4L160L160-S162 PolarHBondContact O-N 3.3Å; L160-S162 VanDerWaalsContact O-N 3.09Å
163P51.4Low56.8Low120 Ų120134.9 Ų134.978%0.77974%0.735SS**PPolyproline II helixtrans-54.9128.9-170.720.7-32.6000109.1S165P163-S165 PolarHBondContact O-N 2.81Å
164P44.7Very low54.8Low110 Ų110137.2 Ų137.271%0.71475%0.751SS**  trans-62.6111.8-168.723.1-33.3000109.9L166P164-L166 PolarHBondContact O-N 3.48Å
165S46.7Very low52.8Low107 Ų107136.9 Ų136.975%0.74876%0.763SS**  trans-58.4112.8172-175.50000108.2P163 M167P163-S165 PolarHBondContact O-N 2.81Å; S165-M167 PolarHBondContact O-N 2.78Å
166L52Low50.9Low161 Ų161133.3 Ų133.384%0.84377%0.768SS**  trans-74.677-174.7-69.2178.8000110.6P164 C168P164-L166 PolarHBondContact O-N 3.48Å; L166-C168 PolarHBondContact O-N 2.85Å
167M40.6Very low49Very low162 Ų162131.5 Ų131.580%0.79878%0.775SS**  trans-61.7132.3167.6-62.5-139.874.100109.7S165 V169S165-M167 PolarHBondContact O-N 2.78Å; M167-V169 PolarHBondContact O-N 2.94Å
168C43.3Very low48.3Very low128 Ų128134.4 Ų134.487%0.86579%0.785SS**  trans-70.1112.2-170.4-65.40000111.8L166 K170L166-C168 PolarHBondContact O-N 2.85Å; C168-K170 PolarHBondContact O-N 2.81Å
169V42.1Very low47.1Very low138 Ų138135 Ų13584%0.83680%0.798SS**  trans-82.9101.2173.8-178.60000110.4M167M167-V169 PolarHBondContact O-N 2.94Å
170K43.4Very low46.5Very low188 Ų188135 Ų13582%0.81781%0.807SS**  trans-54.4124.8172.5179.6176.8176.8178.50111.9C168C168-K170 PolarHBondContact O-N 2.81Å
171K50.8Low46.4Very low201 Ų201135.4 Ų135.487%0.87481%0.81SS**  trans-106.1147.5161.9-72.9-167.669.2178.80110.1
172T44.9Very low47.3Very low121 Ų121139 Ų13974%0.74281%0.813SS**  trans-94.5130.6-173.2480000112.7
173E33.5Very low47.6Very low184 Ų184137 Ų13786%0.8681%0.81SS**  trans58.4102.6131.4-159.8157.1-167.400119.4
174D48.9Very low47.6Very low168 Ų168137.7 Ų137.790%0.89881%0.806SS**  trans-133.8150.5141.5-173.617.4000107.4
175A48.8Very low48.5Very low92 Ų92138.7 Ų138.776%0.7681%0.812SS**  trans-112.7109.5-158.900000113.6
176G42.2Very low48.2Very low75 Ų75138.3 Ų138.377%0.77381%0.809SS**  trans-162.737.6-167.800000120.3
177A40.3Very low47.6Very low89 Ų89135.2 Ų135.274%0.73680%0.8SS**  trans59.4115.6156.300000122.4
178T55.4Low47.8Very low139 Ų139132.6 Ų132.685%0.85380%0.795SS**  trans65.496.3133.861.30000122.7
179S44.8Very low48.2Very low113 Ų113132.9 Ų132.979%0.7980%0.796SS**  -165.2106.6123.1570000107.4
180E46.1Very low48Very low204 Ų204132 Ų13295%0.95379%0.786SS**  57.673.782.2-162.4166.9103.900113.1
181D56.1Low47.5Very low164 Ų164133.1 Ų133.188%0.87779%0.787SS**  trans-140.8126.5149.2-171.432000106.4
182D66.1Low47.1Very low146 Ų146130 Ų13078%0.78179%0.785SS**  trans-95.7107.9-157.6-16616.7000112.7L184D182-L184 PolarHBondContact O-N 3.24Å; D182-L184 VanDerWaalsContact O-N 3.12Å
183G58.7Low47Very low68 Ų68130.2 Ų130.270%0.70179%0.788SS**  trans-82.785.4-169.900000114.5
184L50.3Low47Very low133 Ų133128.4 Ų128.470%0.69678%0.783SS**  trans-123.5114.6165.5-75.4179.9000113.1D182 C186D182-L184 PolarHBondContact O-N 3.24Å; D182-L184 VanDerWaalsContact O-N 3.12Å; L184-C186 PolarHBondContact O-N 2.93Å
185P63.2Low46.2Very low132 Ų132128.3 Ų128.386%0.85778%0.777SS**  trans-80.182.9171.832.8-33.1000110.6
186C41.4Very low45.4Very low99 Ų99128.6 Ų128.667%0.66977%0.774SS**  trans-143.9138.9177.7-72.10000109.7L184L184-C186 PolarHBondContact O-N 2.93Å
187S39.8Very low44.9Very low96 Ų96130.3 Ų130.367%0.67177%0.769SS**  cis-156.1166.8-13-80.70000107.5
188P44Very low44.6Very low106 Ų106134.8 Ų134.869%0.68877%0.772SS**  trans-60.6136.1172.2-19.732.5000111.3D190P188-D190 PolarHBondContact O-N 3.42Å
189P52.7Low43.5Very low135 Ų135133.6 Ų133.688%0.87777%0.769SS**  trans-76.289.7168.830.7-32.5000109.8
190D36.4Very low42.8Very low118 Ų118136.7 Ų136.763%0.63177%0.769SS**  trans-69174.3167.1-97.5-51.4000112.5P188P188-D190 PolarHBondContact O-N 3.42Å
191Y34.3Very low42.2Very low213 Ų213131.2 Ų131.284%0.83576%0.758SS**  trans84.8100.8166.4-45.8-63000118
192T40.6Very low41Very low135 Ų135129.7 Ų129.783%0.82875%0.746SS**  trans-62.9162.5153.754.10000111.3
193P43Very low39.6Very low125 Ų125132.8 Ų132.881%0.81275%0.747SS**  -143.1164.2107.736.7-22.9000115.7
194L34.1Very low38.3Very low146 Ų146134.4 Ų134.476%0.76475%0.747SS**  trans-66.4142.8179.1-63.7154.4000113.3
195H33.1Very low37.7Very low166 Ų166132.7 Ų132.777%0.76975%0.746SS**  166.7145.6106.7-94.6-64.1000115.4
196S31.3Very low36.4Very low98 Ų98130.9 Ų130.969%0.68574%0.737SS**  trans25.7144.9131-81.30000121.1
197V31.8Very low35.9Very low112 Ų112133.7 Ų133.768%0.67975%0.745SS**  cis-161.6153.423.9-118.90000112.4
198K34.3Very low35.6Very low183 Ų183134.5 Ų134.580%0.79675%0.751SS**  trans37.7121.6139.1-64169-176.5174.60121
199S31.1Very low35.5Very low114 Ų114136.9 Ų136.980%0.79776%0.757SS**  87.9131.3120.875.70000122.7
200K31.5Very low34.6Very low178 Ų178139.3 Ų139.377%0.77476%0.756SS**  trans70.884.1130.6-163.3179.6176.8-178.60119.9
201A32Very low34.4Very low89 Ų89136.7 Ų136.774%0.73676%0.757SS**  69.6175.2118.700000121
202E31.4Very low34.4Very low131 Ų131133.4 Ų133.461%0.61276%0.759SS**  trans82.4104.5160.7-65.9-161.177.200120.9
203R37.1Very low33.9Very low212 Ų212135 Ų13580%0.876%0.763SS**  99.5137.2123-70.8169.1123.2120.6-3.7121.4
204S31.9Very low33.6Very low102 Ų102131.8 Ų131.871%0.71375%0.752SS**  trans70.1127.3154.3-69.70000118
205S37.7Very low33.9Very low97 Ų97132.7 Ų132.768%0.67876%0.758SS**  cis78.7139.24089.90000113.3
206S34.6Very low34.2Very low94 Ų94133.4 Ų133.466%0.65776%0.762SS**  cis-157.7147.820.9-46.20000115
207N31.1Very low34.6Very low157 Ų157137.5 Ų137.584%0.8477%0.77SS**  trans54.7153.3133.9-6129.7000125.1
208S33.3Very low35Very low114 Ų114138.8 Ų138.880%0.79777%0.772SS**  trans93.4142.8160.1-124.30000116.4
209L42Very low35.1Very low156 Ų156135.7 Ų135.782%0.81777%0.774SS**  cis-145.1171.219.6-163.5133.9000113.9
210H33.3Very low35.2Very low185 Ų185133.9 Ų133.986%0.85677%0.773SS**  trans-60.7151.9-175-78.95.5000119
211G33.2Very low35.6Very low64 Ų64137.3 Ų137.366%0.6678%0.781SS**  trans162108.1156.500000108.4
212V34.6Very low35.6Very low144 Ų144137.5 Ų137.587%0.87378%0.782SS**  47.8128.968.6-30.80000112.5
213D29.9Very low36.4Very low168 Ų168139.5 Ų139.590%0.89880%0.796SS**  cis-158157-4.3-169.415.4000107.8
214G35.7Very low36.2Very low58 Ų58134.7 Ų134.760%0.59880%0.795SS**  trans140.498.9172.600000117.8
215D40.9Very low36.6Very low165 Ų165135.1 Ų135.188%0.88280%0.796SS**  trans52.6109.8140.7-54.5-13.8000120.7Q217D215-Q217 PolarHBondContact O-N 3.21Å
216E39.8Very low36.8Very low181 Ų181136.5 Ų136.585%0.84680%0.802SS**  trans-71.6103-179-61.4172.591.700114.1
217Q39.1Very low37.1Very low183 Ų183136.3 Ų136.386%0.85581%0.806SS**  trans-97.387.7153.1-169172.96.300110.4D215 S219D215-Q217 PolarHBondContact O-N 3.21Å; Q217-S219 PolarHBondContact O-N 3.29Å
218L39.8Very low37.9Very low140 Ų140135.2 Ų135.273%0.73381%0.805SS**  trans-59.1115.8166.9-56.7175.4000107.8
219S37.5Very low39Very low118 Ų118135.4 Ų135.483%0.82580%0.804SS**  65.1109.650.3-161.40000112.1Q217Q217-S219 PolarHBondContact O-N 3.29Å
220G33.2Very low39.1Very low75 Ų75131.1 Ų131.177%0.77380%0.797SS**  trans174.334-169.800000114.9A222G220-A222 PolarHBondContact O-N 2.73Å
221R38.9Very low39.7Very low251 Ų251128.4 Ų128.495%0.94779%0.789SS**  trans-68.9108.1177.2171.6-174.8168-174-3.1110.4
222A31.8Very low40.7Very low92 Ų92135.3 Ų135.376%0.7680%0.801SS**  trans-150.582.4168.100000112.2G220G220-A222 PolarHBondContact O-N 2.73Å
223L49.3Very low41.9Very low173 Ų173132.4 Ų132.491%0.90679%0.787SS**  trans-92.796.2161.1-78.8177000109
224S32Very low43Very low112 Ų112132.1 Ų132.178%0.78378%0.78SS**  trans-179.4146.7161.1-81.70000110.6
225P40.8Very low44.4Very low111 Ų111135.3 Ų135.372%0.72179%0.79SS**  cis-108.6176.2-31.819.41.9000110.5A227P225-A227 PolarHBondContact O-N 3.34Å
226P42.4Very low45.3Very low125 Ų125132.3 Ų132.381%0.81279%0.788SS**PPolyproline II helixtrans-59125.9157.527.4-33.3000108.7
227A39.7Very low46.1Very low90 Ų90127.2 Ų127.274%0.74477%0.773SS**PPolyproline II helixtrans-64.1138176.600000110.1P225 P229P225-A227 PolarHBondContact O-N 3.34Å; A227-P229 WeakPolarHBondContact O-CD 3.34Å
228V49.7Very low46.8Very low135 Ų135124.2 Ų124.282%0.81877%0.769SS**PPolyproline II helixtrans-59.5124.5174.1179.90000108.4G230V228-G230 PolarHBondContact O-N 3.19Å
229P54.5Low47.2Very low118 Ų118126 Ų12677%0.76677%0.772SS**PPolyproline II helixtrans-56.6131171.3-24.935.5000110A227A227-P229 WeakPolarHBondContact O-CD 3.34Å
230G45.9Very low47.9Very low65 Ų65126.1 Ų126.167%0.6777%0.767SS**PPolyproline II helixtrans-63.9160.1-173.400000114V228V228-G230 PolarHBondContact O-N 3.19Å
231D45.9Very low48.8Very low129 Ų129128.1 Ų128.169%0.6977%0.767SS**  trans-39.9140.8174.6-179.112.7000114.7S233D231-S233 VanDerWaalsContact C-N 3.27Å; D231-S233 PolarHBondContact O-N 3.27Å; D231-S233 PolarHBondContact OD1-N 2.95Å; D231-S233 WeakPolarHBondContact OD2-CB 3.41Å; D231-S233 PolarHBondContact OD2-OG 2.89Å
232F53.4Low49.7Very low208 Ų208123.3 Ų123.391%0.91276%0.76SS**SBendtrans-800.2178.2-103.5-99.4000113.7Q234F232-Q234 PolarHBondContact O-N 3.33Å; F232-Q234 VanDerWaalsContact O-N 3.09Å
233S59.9Low50.9Low84 Ų84124.9 Ų124.959%0.58776%0.755SS**  trans-67.7-0.1-177.968.20000116.5D231D231-S233 VanDerWaalsContact C-N 3.27Å; D231-S233 PolarHBondContact O-N 3.27Å; D231-S233 PolarHBondContact OD1-N 2.95Å; D231-S233 WeakPolarHBondContact OD2-CB 3.41Å; D231-S233 PolarHBondContact OD2-OG 2.89Å
234Q53.3Low51.2Low162 Ų162122.1 Ų122.176%0.75774%0.742SS**SBendtrans-120.7133.6177.7-62.9-171.2600112.1F232F232-Q234 PolarHBondContact O-N 3.33Å; F232-Q234 VanDerWaalsContact O-N 3.09Å
235P64.4Low52.5Low124 Ų124120.3 Ų120.381%0.80573%0.729SS**PPolyproline II helixtrans-64.9144.2173.228.5-34.5000110.7S237P235-S237 PolarHBondContact O-N 3.04Å; P235-S237 VanDerWaalsContact O-N 3.16Å
236A60.6Low53.2Low102 Ų102119.2 Ų119.284%0.84373%0.729SS**PPolyproline II helixtrans-59.8117.9-175.500000111.9P238A236-P238 WeakPolarHBondContact O-CD 3.31Å
237S55.9Low53.9Low75 Ų75117.4 Ų117.452%0.52473%0.725SS.*PPolyproline II helixtrans-66.8122.8-179.7-175.90000111.3P235 F239P235-S237 PolarHBondContact O-N 3.04Å; P235-S237 VanDerWaalsContact O-N 3.16Å; S237-F239 PolarHBondContact O-N 3.03Å
238P54Low54.8Low119 Ų119121.2 Ų121.277%0.77373%0.725SS**THydrogen-bonded Turntrans-71.60.7-175.428.9-35.7000114.4A236A236-P238 WeakPolarHBondContact O-CD 3.31Å
239F48.1Very low55.1Low179 Ų179123.2 Ų123.279%0.78572%0.724SS**THydrogen-bonded Turntrans-100.94.4-177.1-69.5-76.7000114.8S237 C241S237-F239 PolarHBondContact O-N 3.03Å; F239-C241 PolarHBondContact O-N 2.88Å
240V51.9Low55.5Low119 Ų119126.9 Ų126.972%0.72173%0.728SS**  trans-75.876.4170.5-171.40000109.5L242V240-L242 PolarHBondContact O-N 3.46Å; V240-L242 VanDerWaalsContact O-N 3.12Å
241C52.3Low55.8Low117 Ų117131.2 Ų131.279%0.79174%0.735SS**  trans-62.5112177.450.70000110.9F239 D243F239-C241 PolarHBondContact O-N 2.88Å; C241-D243 PolarHBondContact O-N 2.93Å
242L58.7Low56Low150 Ų150127.8 Ų127.879%0.78573%0.731SS**  trans-57.7124.7172.9-77.5165.1000109.8V240 N244V240-L242 PolarHBondContact O-N 3.46Å; V240-L242 VanDerWaalsContact O-N 3.12Å; L242-N244 PolarHBondContact O-N 3.12Å; L242-N244 PolarHBondContact O-ND2 2.86Å
243D55.7Low56Low125 Ų125124.4 Ų124.467%0.66872%0.722SS**  trans-68.1104.1-178.9-171.6-16.2000110.2C241 S245C241-D243 PolarHBondContact O-N 2.93Å; D243-S245 PolarHBondContact O-N 2.92Å; D243-S245 WeakPolarHBondContact OD1-CB 3.32Å; D243-S245 PolarHBondContact OD1-N 3.23Å; D243-S245 PolarHBondContact OD1-OG 2.9Å
244N57.2Low56Low116 Ų116130.2 Ų130.262%0.6273%0.731SS**THydrogen-bonded Turntrans-68.21.8-177.3-82.1-95.2000113.5L242 A246 A247L242-N244 PolarHBondContact O-N 3.12Å; L242-N244 PolarHBondContact O-ND2 2.86Å; N244-A246 PolarHBondContact O-N 3.37Å; N244-A247 PolarHBondContact O-N 3.49Å; N244-A247 VanDerWaalsContact O-N 3.11Å
245S58.1Low55.8Low73 Ų73129.9 Ų129.951%0.5173%0.734SS.*THydrogen-bonded Turntrans-56.5-34.6175.9-63.90000113.3D243 A247 K248D243-S245 PolarHBondContact O-N 2.92Å; D243-S245 WeakPolarHBondContact OD1-CB 3.32Å; D243-S245 PolarHBondContact OD1-N 3.23Å; D243-S245 PolarHBondContact OD1-OG 2.9Å; S245-A247 PolarHBondContact O-N 3.4Å; S245-K248 PolarHBondContact O-N 3.3Å
246A56.2Low55.1Low88 Ų88132.5 Ų132.573%0.72773%0.733SS**G310 helixtrans-64-37.7175.800000112.8N244 K248 H249N244-A246 PolarHBondContact O-N 3.37Å; A246-K248 PolarHBondContact O-N 2.97Å; A246-H249 PolarHBondContact O-N 3.19Å
247A57.4Low54.6Low87 Ų87132 Ų13272%0.71973%0.729SS**G310 helixtrans-71.5-13.8179.400000113.5N244 S245N244-A247 PolarHBondContact O-N 3.49Å; N244-A247 VanDerWaalsContact O-N 3.11Å; S245-A247 PolarHBondContact O-N 3.4Å
248K58.5Low54Low171 Ų171134.8 Ų134.874%0.74375%0.746SS**G310 helixtrans-85.7-0.5179.3-73.8-179.7175173.50114.4S245 A246 K250S245-K248 PolarHBondContact O-N 3.3Å; A246-K248 PolarHBondContact O-N 2.97Å; K248-K250 VanDerWaalsContact C-N 3.29Å; K248-K250 PolarHBondContact O-N 2.95Å
249H56.1Low53.4Low176 Ų176135.3 Ų135.382%0.81574%0.743SS**  trans-76.376.9-177-126.7-94.9000113.2A246 L251A246-H249 PolarHBondContact O-N 3.19Å; H249-L251 PolarHBondContact O-N 2.88Å
250K62.3Low53.1Low195 Ų195137.2 Ų137.285%0.84875%0.745SS**  trans-53.8111.2-173.9-175.3176-178.3174.30113.7K248 G252K248-K250 VanDerWaalsContact C-N 3.29Å; K248-K250 PolarHBondContact O-N 2.95Å; K250-G252 PolarHBondContact O-N 3.04Å
251L51.9Low52.8Low156 Ų156142.8 Ų142.882%0.81775%0.753SS**  trans-61.196.3171.5-93.4164.6000111.6H249 L253H249-L251 PolarHBondContact O-N 2.88Å; L251-L253 VanDerWaalsContact C-N 3.25Å; L251-L253 HydrophobicContact CB-CD1 4.47Å; L251-L253 HydrophobicContact CD2-CD1 4.13Å; L251-L253 PolarHBondContact O-N 3.43Å
252G50.8Low52.9Low58 Ų58146.6 Ų146.660%0.59876%0.756SS**  trans-77.954.5-176.900000115.1K250 R254K250-G252 PolarHBondContact O-N 3.04Å; G252-R254 PolarHBondContact O-N 3.18Å
253L53.2Low52.4Low137 Ų137145.4 Ų145.472%0.71776%0.757SS**  trans-63.6107.6172.7-95.873.6000110.2L251 N255L251-L253 VanDerWaalsContact C-N 3.25Å; L251-L253 HydrophobicContact CB-CD1 4.47Å; L251-L253 HydrophobicContact CD2-CD1 4.13Å; L251-L253 PolarHBondContact O-N 3.43Å; L253-N255 PolarHBondContact O-N 3.49Å
254R59.1Low51.3Low206 Ų206144 Ų14478%0.77776%0.763SS**  trans-97.580.9-171.745.6-179.263.1178.1-4.8110.9G252 K256G252-R254 PolarHBondContact O-N 3.18Å; R254-K256 PolarHBondContact O-N 2.82Å
255N48.8Very low50.3Low155 Ų155149.7 Ų149.783%0.82978%0.776SS**  trans-62.4113.5177.4-68.3-9.4000111.2L253L253-N255 PolarHBondContact O-N 3.49Å
256K50Low49.2Very low179 Ų179156.6 Ų156.678%0.77879%0.791SS**  trans-152.280.1173.448.5177.2175.1174.60114.3R254R254-K256 PolarHBondContact O-N 2.82Å
257A50.7Low48.1Very low92 Ų92157.9 Ų157.976%0.7678%0.784SS**  trans-146.7103.7152.700000107.2
258C43.6Very low46.9Very low132 Ų132160.5 Ų160.589%0.89278%0.782SS**  94.177.896.1-74.50000113.9
259N40.9Very low45.7Very low131 Ų131158.7 Ų158.770%0.70178%0.779SS**  trans-95.6105.3172.7173.3-14.6000111.1
260R41.3Very low44.5Very low219 Ų219159.9 Ų159.983%0.82678%0.782SS**  trans-142.6144162.5-61.6-72.675.4166.57.9106
261R47.1Very low43Very low235 Ų235154.5 Ų154.589%0.88778%0.775SS**  cis-133.7175.116.9-66.1171.9150.8122.8-9.2111.2
262K53.9Low41.8Very low198 Ų198156.5 Ų156.586%0.86178%0.78SS**  trans-125.4-170161.9-46.4-169.9172.4-173.90110.1
263P48.6Very low41.1Very low125 Ų125157.2 Ų157.281%0.81279%0.787SS**  -130.3172.9-123.732.4-7.9000117.3
264A32.6Very low40.1Very low94 Ų94160.5 Ų160.578%0.77780%0.798SS**  trans-149.3140.8155.300000107.2
265R36.3Very low38.5Very low237 Ų237155.5 Ų155.589%0.89480%0.795SS**  cis87115.123.5-80.9-162.8159.5-154.6-6.8117.1
266R34.1Very low37.4Very low218 Ų218154.3 Ų154.382%0.82379%0.793SS**  trans69.6151.6169.9-62.8179.961.4159.70.4115.9
267L33Very low36.4Very low114 Ų114149.3 Ų149.360%0.59779%0.785SS**  cis-173.7-179-29.1-105.5169.5000104.2L269L267-L269 HydrophobicContact CD2-CB 4.45Å; L267-L269 HydrophobicContact CD2-CD1 4.46Å
268E33.2Very low35.5Very low142 Ų142152.1 Ų152.166%0.66478%0.783SS**  cis-112174.5-3-95.674.9-148.500109.1
269L32.8Very low35Very low133 Ų133153.5 Ų153.570%0.69678%0.776SS**  cis103.3121.519.9-143.2173.1000114.2L267L267-L269 HydrophobicContact CD2-CB 4.45Å; L267-L269 HydrophobicContact CD2-CD1 4.46Å
270K29.9Very low34.6Very low201 Ų201155.6 Ų155.687%0.87478%0.782SS**  trans82.3148.2-172.4-59.1-167.5174.5-168.30115.7
271A31.2Very low34.3Very low83 Ų83153 Ų15369%0.68678%0.779SS**  cis-123.9-179.8-8.600000108.8
272E27.6Very low33.6Very low198 Ų198148 Ų14893%0.92577%0.77SS**  cis-159.315622.1-142.5154.312400108.6
273G35.9Very low32.3Very low72 Ų72144.1 Ų144.174%0.74276%0.762SS**  trans141.4137.9-179.800000113.7
274E31Very low31.3Very low207 Ų207144.3 Ų144.397%0.96776%0.761SS**  trans-65.6161.3-167.5-83.2148.1100.900117
275S26.2Very low31.3Very low101 Ų101145 Ų14571%0.70676%0.76SS**  trans-157.4176.6-179.971.20000111
276T25.8Very low30.9Very low129 Ų129138.6 Ų138.679%0.79174%0.743SS**  trans72.3146.3-172.371.50000113.5
277A28.9Very low30.7Very low74 Ų74135.4 Ų135.461%0.61275%0.748SS**  cis-135.3140.95.900000109.1
278E31.4Very low30.4Very low152 Ų152134.8 Ų134.871%0.7176%0.759SS**  79.3118.695.5-68158.1-151.600112.5
279E33Very low30.3Very low161 Ų161132.4 Ų132.475%0.75276%0.764SS**  82.8108.3112.1-68.6-178.1177.600112.8
280E33.3Very low30.1Very low175 Ų175133.1 Ų133.182%0.81877%0.769SS**  89.1171.7104.4-70-155.415500113.2
281E33.8Very low30.3Very low164 Ų164129 Ų12977%0.76676%0.76SS**  trans58.9113.8168.9-66.3-156.2120.300122.5
282L32.2Very low30.3Very low131 Ų131130.1 Ų130.169%0.68676%0.758SS**  75.5143.9120.5-64.2176.4000124
283T27.6Very low30.7Very low115 Ų115128.9 Ų128.971%0.70675%0.752SS**  trans69.2106.9141.445.90000122.5
284V28.4Very low30.5Very low129 Ų129132.1 Ų132.178%0.78275%0.748SS**  64141.8103.9169.10000120.1
285S31.4Very low30.7Very low108 Ų108129.1 Ų129.176%0.75573%0.734SS**  trans85.1107.8163.1-72.90000120
286L27.8Very low31.1Very low104 Ų104131.8 Ų131.855%0.54574%0.736SS.*  -7.6141.6125.9-73.6164.5000117.1S847L286-S847 WeakPolarHBondContact CD1-O 3.24Å
287T29.9Very low31.3Very low150 Ų150132.5 Ų132.592%0.9273%0.728SS**  -162.5155120.99.60000111.2
288A27.3Very low31.5Very low101 Ų101133.3 Ų133.384%0.83573%0.734SS**  trans-126.3140.7173.500000110.8
289A31.6Very low31.3Very low93 Ų93133 Ų13377%0.76973%0.733SS**  trans-164.3129.9159.700000105.9
290D28.7Very low31.3Very low148 Ų148131.2 Ų131.279%0.79173%0.732SS**  cis83.6162.148.3-151.6-81000112.9
291V34.2Very low31.2Very low113 Ų113131.1 Ų131.169%0.68573%0.732SS**  trans67.590.9-172.5-169.10000113.7
292T30.8Very low31.1Very low108 Ų108128.2 Ų128.266%0.66373%0.73SS**  73.315667.171.10000115.9
293E34.8Very low31.1Very low171 Ų171132.5 Ų132.580%0.79974%0.737SS**  trans72.5150.3165.7-75.8178.3153.800116.8
294E33.4Very low31.3Very low140 Ų140132 Ų13265%0.65473%0.73SS**  cis-167.1146.1-4.8162.4-176.7-158.300110.8
295Q34.1Very low31.6Very low144 Ų144132.7 Ų132.767%0.67372%0.724SS**  trans60.8172.1159-77.2-178.942.600120.7
296Q34.1Very low31.8Very low158 Ų158134.2 Ų134.274%0.73872%0.724SS**  cis-161162.5-48.5-117.5-178.237.600110.8
297K30.5Very low32Very low144 Ų144137.1 Ų137.163%0.62673%0.732SS**  trans53.692.8142.7-166-169.9168.1-67.70121E299K297-E299 IonicContact NZ-OE2 3.63Å; K297-E299 PolarHBondContact NZ-OE2 3.3Å
298A32.9Very low32.2Very low90 Ų90133.2 Ų133.274%0.74471%0.714SS**  59.8179.3113.200000123.1
299E28.2Very low32.3Very low147 Ų147135.7 Ų135.769%0.68771%0.709SS**  trans77.9111.1-179.1-75.9166.68100115.7K297K297-E299 IonicContact NZ-OE2 3.63Å; K297-E299 PolarHBondContact NZ-OE2 3.3Å
300V32.3Very low32.2Very low122 Ų122136.2 Ų136.274%0.73970%0.703SS**  78.796.574.4165.80000109.4
301E32.2Very low32.3Very low173 Ų173137 Ų13781%0.80870%0.701SS**  92.915581.1-171172.2-168.200112.2
302S31Very low32.2Very low103 Ų103139.2 Ų139.272%0.7271%0.705SS**  trans61.2114.2-176.339.30000116.1
303R31.5Very low32.5Very low222 Ų222141.8 Ų141.884%0.83871%0.709SS**  78.2151.450.3-168-142.3163.1120.7-2.2111.2
304D32.9Very low32.5Very low105 Ų105141 Ų14156%0.56171%0.705SS**  trans77144175.1-71.42.1000115.1
305Q33.4Very low32.5Very low142 Ų142140.6 Ų140.666%0.66471%0.708SS**  cis-150.7162.9-2.8-124171.376.600111.3
306L37Very low32.9Very low141 Ų141141.6 Ų141.674%0.73871%0.712SS**  trans17152135-64.5175.5000119.1
307K30.3Very low32.8Very low165 Ų165142 Ų14272%0.71771%0.714SS**  cis173.7-177.80.7166.1-179.4166-163.60104.7
308A34.5Very low33Very low67 Ų67141.5 Ų141.555%0.55472%0.719SS**  trans85.7123.4159.100000111.2
309E29.8Very low33Very low153 Ų153145.8 Ų145.872%0.71572%0.72SS**  75.6136.783.3-64.8149.5-139.200110.3
310T30Very low33.9Very low104 Ų104143.4 Ų143.464%0.63872%0.717SS**  cis-145.4-157.614.8-15.10000112.1
311E30.1Very low33.8Very low164 Ų164145.2 Ų145.277%0.76672%0.718SS**  trans-12154146.4-53.6132.4164.400116.1
312E33Very low33.7Very low161 Ų161143.9 Ų143.975%0.75271%0.71SS**  cis-140.8154.137.4-75.6173.9159.200110.6
313E36.3Very low33.6Very low161 Ų161144.1 Ų144.175%0.75270%0.702SS**  59153.8100.5-44.9-171.4144.400115
314E35.5Very low33.4Very low154 Ų154139.4 Ų139.472%0.7270%0.704SS**  cis-157.3156.110.9-148.5171.9-162.100109.3
315D32.6Very low33.4Very low133 Ų133139.1 Ų139.171%0.71172%0.716SS**  trans48165.2149.6-86.9-19.1000123.2
316E42.1Very low33.2Very low164 Ų164137 Ų13777%0.76672%0.723SS**  cis-137.7-174.68.7-145.8-176.3-148.300112.5
317E32Very low32.9Very low166 Ų166140 Ų14078%0.77673%0.73SS**  trans-59.4176.1170.9-54.5-172.3110.100112.8
318D36.4Very low33.7Very low135 Ų135137 Ų13772%0.72273%0.728SS**  cis-151.5169.218.5-166.85.6000111.7
319K32.8Very low33.6Very low180 Ų180141.9 Ų141.978%0.78374%0.744SS**  trans-94.4-146.1161.4-63-179.2172.5170.60107.6
320P46.8Very low33.5Very low96 Ų96137.4 Ų137.462%0.62374%0.738SS**  cis-116.3-155.7-41.715.28.9000110.1
321Q30.4Very low33.6Very low161 Ų161139.3 Ų139.375%0.75275%0.745SS**  trans83.4143.1150.4-58.6-156.811.200118.5
322K28.9Very low33.7Very low145 Ų145137.4 Ų137.463%0.6374%0.74SS**  cis-168.8170.7-22.7-123.8174.3155.9-74.40111.4
323D28.4Very low33.9Very low107 Ų107137 Ų13757%0.57274%0.743SS**  trans53.5107.8143-61.1-13.5000121.8
324S28.8Very low33.7Very low123 Ų123132.8 Ų132.886%0.8674%0.742SS**  85.1156.3118.578.40000120.6
325A32.7Very low33.6Very low99 Ų99134 Ų13482%0.81875%0.748SS**  trans-110.6150177.900000111.5
326A27.8Very low33.8Very low98 Ų98134.5 Ų134.581%0.8175%0.751SS**  trans-153.9150.3163.200000111.8
327F31.6Very low33.6Very low205 Ų205133.7 Ų133.790%0.89975%0.752SS**  trans-83.7-164.8164.3-50.7-104.3000109.1
328P48.1Very low33.9Very low102 Ų102129.1 Ų129.166%0.66274%0.742SS**  cis-136.7-167.3-11.636.3-14.6000114.1
329L31.4Very low33.7Very low169 Ų169130.6 Ų130.689%0.88575%0.745SS**  trans69.5153.1163.8-58.3154.5000116.6
330G27.1Very low33.8Very low59 Ų59125.4 Ų125.461%0.60874%0.736SS**  cis146.6109.5-13.800000114.8
331D32.7Very low33.1Very low144 Ų144128.4 Ų128.477%0.7774%0.741SS**  trans-158.5138.1163.3-88.2-48.4000107.2
332N33Very low33Very low124 Ų124127.5 Ų127.566%0.66374%0.737SS**  81.4129.850.7-60-23.3000111.7
333D36.7Very low33.1Very low152 Ų152127.3 Ų127.381%0.81374%0.743SS**  cis-157.1162.44-81.1-41.7000112.6
334G31.4Very low33.4Very low72 Ų72127.5 Ų127.574%0.74275%0.748SS**  trans82.8152.815000000120.5
335E34.7Very low33.6Very low180 Ų180125.8 Ų125.884%0.84174%0.735SS**  cis-157.8143.7-8.3-93.1170.6129.600109.5
336D36.8Very low33.7Very low144 Ų144129.9 Ų129.977%0.7774%0.737SS**  trans40155.9149.8-52.5-14.7000123.1
337D36.7Very low34Very low146 Ų146129.5 Ų129.578%0.78174%0.735SS**  cis-148.7-167.27.7-156.1-100000112.3
338A39.5Very low34.7Very low70 Ų70125.2 Ų125.258%0.57973%0.727SS**  trans-90.2-165.9-176.600000113.2
339E31Very low33.9Very low167 Ų167128 Ų12878%0.7874%0.736SS**  cis-142.3149.814.9-74.4-78.313300107.3
340A35.4Very low33.8Very low71 Ų71123.7 Ų123.759%0.58773%0.726SS**  72.5135.768.600000116.9
341E31.3Very low33.7Very low158 Ų158126.7 Ų126.774%0.73874%0.737SS**  trans67.2159.8160.8-51.6-67.580.900118.7
342Q29.6Very low33.4Very low142 Ų142125.5 Ų125.566%0.66474%0.739SS**  cis-161.1-167.1-35-114-156.378.600110.2
343D29.7Very low34.3Very low141 Ų141125.2 Ų125.275%0.75474%0.743SS**  trans70138.3169.9-67.9-46.4000119.4
344V35.7Very low34.5Very low112 Ų112122.8 Ų122.868%0.67974%0.736SS**  cis108.784.510.2-176.40000116.2
345S32.5Very low34.3Very low86 Ų86127.8 Ų127.860%0.60174%0.74SS**  85.3154.3129.879.80000124.3
346H36.1Very low34.1Very low185 Ų185123.8 Ų123.886%0.85673%0.732SS**  trans79.6155.4153.5-64.5-52.3000122
347A32.6Very low33.7Very low91 Ų91120 Ų12075%0.75273%0.727SS**  trans-109.1-168.2-176.100000110.8
348P46.8Very low33.2Very low115 Ų115122.5 Ų122.575%0.74773%0.732SS**  -159.417277.943.7-23.1000119.3
349D31.3Very low32.8Very low159 Ų159123.3 Ų123.385%0.8573%0.733SS**  trans86.3151.3135-109.7-44.9000127.2
350A28.6Very low33Very low80 Ų80122.2 Ų122.266%0.66173%0.728SS**  trans86.2114.9149.500000124.7
351S26.4Very low33Very low121 Ų121126.1 Ų126.185%0.84673%0.734SS**  trans95.8150.4138.276.40000122.6
352C26.7Very low33.4Very low119 Ų119126 Ų12680%0.80473%0.733SS**  trans-142.9-166.5-178.5-27.70000107.6
353P50.5Low33.7Very low118 Ų118126.9 Ų126.977%0.76674%0.737SS**  cis-124.4-134.4-34.129.8-4.3000107.5
354P42.1Very low34.1Very low102 Ų102127.7 Ų127.766%0.66274%0.737SS**  cis-143.1178.8-18.948-31.1000117.1
355E26.9Very low34.2Very low177 Ų177130 Ų13083%0.82774%0.74SS**  trans51.3167.3146.1-48.9-119.378.400122.7
356S29.3Very low34.5Very low96 Ų96134.7 Ų134.767%0.67175%0.752SS**  cis-176.6144.7-40.9-80.40000111.2
357G28.2Very low34.6Very low65 Ų65133.7 Ų133.767%0.6775%0.748SS**  trans109.515814400000122.7
358F26.6Very low34.8Very low198 Ų198137.7 Ų137.787%0.86875%0.751SS**  trans73.2119.8153.4-56.9-66.9000118.3
359S31.9Very low34.1Very low87 Ų87139.5 Ų139.561%0.60876%0.755SS**  75.1159.274.363.60000113.6
360E35.1Very low34.5Very low143 Ų143139.3 Ų139.367%0.66875%0.749SS**  cis-158.1-173.924.7-130.6127.3160.200111.4
361E35.3Very low35Very low154 Ų154142.5 Ų142.572%0.7275%0.75SS**  trans61.3167.6150.6-78.9134.9-166.800120.8
362E39.8Very low35.4Very low154 Ų154146 Ų14672%0.7275%0.753SS**  cis-147.8143.512.4-121.6150.2-151.300107.7
363E35.7Very low36Very low161 Ų161147.3 Ų147.375%0.75275%0.747SS**  66.3152.692.8-65.5-173.7-176.200117.7
364E37.1Very low35.2Very low158 Ų158148.1 Ų148.174%0.73875%0.745SS**  cis-170.2168.6-34.8-147.1165.4-13900110.5
365E38.1Very low35.2Very low162 Ų162146.4 Ų146.476%0.75774%0.74SS**  trans58.5172.8164.9-48.1-163.7135.800119
366E39.8Very low35.5Very low183 Ų183143.1 Ų143.186%0.85574%0.736SS**  cis-141.9169.28.6-55.8169.410000108
367E38.2Very low36Very low164 Ų164143.8 Ų143.877%0.76674%0.736SS**  cis-170.8172.1-25.5-102.8-79.8-125.800108.8
368E36Very low36.1Very low176 Ų176146.1 Ų146.182%0.82273%0.733SS**  trans65.2-173.6170.7-64.1-172.9149.900118
369D32Very low36.2Very low153 Ų153145.2 Ų145.282%0.81872%0.724SS**  -163.5170.3-86.6-100.922.4000108.6
370E39.4Very low36Very low154 Ų154151 Ų15172%0.7273%0.732SS**  cis-170.1175.7-41-116.9-80.446.600109.1
371E39.1Very low35.8Very low147 Ų147148.1 Ų148.169%0.68773%0.733SS**  trans80.4151.6164.8-55.3-149117.800119.9
372E36.5Very low36.2Very low195 Ų195146.7 Ų146.791%0.91174%0.737SS**  cis-107.1158.519.2-67.6-166.9130.100118.2
373Q38.9Very low35.7Very low146 Ų146145.1 Ų145.168%0.68274%0.743SS**  trans-119.7-160170.7-55.1169.581.200108.8
374D33.3Very low35.4Very low136 Ų136142.9 Ų142.973%0.72775%0.745SS**  cis-149.1-174.7-14.9-162.624.2000103.6
375A41.8Very low35Very low66 Ų66140.3 Ų140.355%0.54575%0.745SS.*  cis-153.3164.76.800000106.8
376S33.9Very low34.6Very low107 Ų107138.6 Ų138.675%0.74875%0.751SS**  cis-171.3143.548.5-52.80000107.3
377V38.4Very low34.1Very low110 Ų110133.7 Ų133.767%0.66775%0.749SS**  cis75.8104.531-172.90000114.4
378D31.8Very low33.7Very low115 Ų115131.6 Ų131.662%0.61575%0.753SS**  -166.5125.8107.8-136.128.1000116.5
379R28.6Very low33.5Very low179 Ų179129.6 Ų129.668%0.67575%0.753SS**  trans50.4148.7136.8-70.9175.2-138.1-107.5-25.4121.8
380R28.3Very low33.5Very low208 Ų208127 Ų12779%0.78575%0.746SS**  cis-161.5156.71.2-134168.4-170.1-169.31.2112.3
381A30.6Very low33Very low83 Ų83125.2 Ų125.269%0.68675%0.751SS**  trans-75.4172.9158.800000111.9
382P43.4Very low32.5Very low124 Ų124122.8 Ų122.881%0.80575%0.75SS**  -150.9166.795.640.7-24.1000118.6
383S29.2Very low32.3Very low120 Ų120121.3 Ų121.384%0.83975%0.748SS**  trans-31.7160.2168.5-42.60000121.4
384S28.8Very low32Very low114 Ų114120.8 Ų120.880%0.79775%0.75SS**  trans-72.2147.6172.4-44.40000115.3
385S29.6Very low32.2Very low105 Ų105118.7 Ų118.773%0.73475%0.746SS**  139.6146.1124.270.90000115.8
386S29Very low33Very low125 Ų125121 Ų12187%0.87476%0.756SS**  trans65.6139.5156.8-52.60000120
387G28.9Very low32.8Very low80 Ų80121.6 Ų121.683%0.82576%0.76SS**  trans128.457156.100000118.6
388S31Very low32.6Very low120 Ų120123 Ų12384%0.83977%0.768SS**  trans-83123.6167-49.70000112
389T30.8Very low32.7Very low134 Ų134122 Ų12282%0.82277%0.77SS**  trans-166122.2148.619.90000114.6
390S31.1Very low33.8Very low98 Ų98119.1 Ų119.169%0.68578%0.775SS**  trans51.2124.714163.20000123.8
391S30.5Very low34Very low118 Ų118117.3 Ų117.383%0.82578%0.775SS**  trans72.5159.8136.1730000120.2
392S28.6Very low35.6Very low96 Ų96117.9 Ų117.967%0.67177%0.772SS**  cis178.3120-31.6171.10000109.6
393L32.3Very low36.4Very low164 Ų164117.4 Ų117.486%0.85977%0.769SS**  trans48144.2156.7-49.2174.2000118.4
394D31.9Very low37Very low134 Ų134116.6 Ų116.672%0.71777%0.769SS**  cis-176.3147.941.9-173.726.8000112.8
395S37.4Very low37.2Very low93 Ų93114.3 Ų114.365%0.6576%0.763SS**  trans58.9167.6144.3-80.50000123.9
396P59.4Low37.4Very low115 Ų115117.7 Ų117.775%0.74777%0.768SS**  cis-132.6168.8-4.224.3-1.2000118.1
397S29.1Very low37.6Very low119 Ų119116.6 Ų116.683%0.83276%0.756SS**  trans76.6142.6159.9-1030000119.1
398V33.1Very low37.8Very low138 Ų138120.5 Ų120.584%0.83675%0.753SS**  cis-152.6159.82.772.50000112.6
399S34.1Very low37.8Very low96 Ų96121.2 Ų121.267%0.67174%0.742SS**  trans-79.6178.6177.4-108.20000114.4
400P53.1Low38.1Very low118 Ų118122.3 Ų122.377%0.76674%0.742SS**  cis-125166.118.328.1-4.9000116
401E31.9Very low38.5Very low169 Ų169124 Ų12479%0.7975%0.749SS**  cis99.4160.643.5-131.6-157.392.200113.1
402P64.8Low38.3Very low96 Ų96121.3 Ų121.362%0.62374%0.74SS**  -123.9-150.5-86.846.3-32.2000113
403P60.5Low39.4Very low114 Ų114122.8 Ų122.874%0.7475%0.747SS**  cis-143.3172.2-4.541-20.4000120.7
404A40.3Very low39.4Very low102 Ų102120 Ų12084%0.84375%0.748SS**  trans73.3141.8148.900000121.5
405G33.3Very low39.3Very low66 Ų66117.3 Ų117.368%0.6875%0.752SS**  cis164.6166.3-12.700000116.6
406Q33.4Very low38.8Very low177 Ų177122.3 Ų122.383%0.82776%0.762SS**  trans73123.7167.6-61.2162.161.400116.3
407T33.5Very low37.2Very low102 Ų102120.9 Ų120.963%0.62675%0.754SS**  cis78.9148.640.8740000112.9
408E32.9Very low37.2Very low162 Ų162121.1 Ų121.176%0.75776%0.755SS**  cis-152.1-161.429.1-65.9-173.7-17000110
409H32.2Very low36.8Very low134 Ų134118.7 Ų118.762%0.6275%0.749SS**  -168.7151.3-68.2-72-39.7000108.8
410L35.8Very low36.4Very low157 Ų157119.8 Ų119.882%0.82275%0.751SS**  trans69.3127.6139.4-77.2169.9000125.7
411T39.8Very low35.2Very low133 Ų133122.2 Ų122.282%0.81675%0.752SS**  trans84.1138143.3-31.40000121.1
412G27Very low35.2Very low63 Ų63119 Ų11965%0.64975%0.748SS**  trans-101.8-143.4166.500000112.6
413P51.1Low33.6Very low126 Ų126122.2 Ų122.282%0.81876%0.755SS**  cis-131.3177.9-4.143.1-27.6000115
414A32.1Very low32.2Very low107 Ų107121.9 Ų121.988%0.88476%0.755SS**  trans39.3120.1151.700000121.7
415G30.9Very low31.6Very low77 Ų77123.5 Ų123.579%0.79475%0.75SS**  trans-176.790.2167.300000118.3
416F26.4Very low31.5Very low198 Ų198124.5 Ų124.587%0.86875%0.746SS**  trans41.2122.6138.8-144.6-112.3000122.9
417C25.2Very low31.3Very low85 Ų85123.4 Ų123.457%0.57475%0.745SS**  trans48.5123.2145.7-68.60000123.2
418C29Very low31.1Very low124 Ų124124.5 Ų124.584%0.83875%0.752SS**  43.5145.4118.9-50.90000122.4
419A24.5Very low30.8Very low87 Ų87119.7 Ų119.772%0.71975%0.746SS**  trans111.591.214100000118.8
420V26.9Very low30.8Very low118 Ų118121.6 Ų121.672%0.71576%0.755SS**  trans56140.9133.5-90.50000124.5
421H27.8Very low31Very low169 Ų169122.1 Ų122.178%0.78275%0.753SS**  trans80.8138.3145.9-67.8-47.5000120.9
422S32.3Very low31.1Very low102 Ų102124.3 Ų124.371%0.71375%0.754SS**  trans70143.4156.8-72.70000118.3
423E29.9Very low31.3Very low164 Ų164128.8 Ų128.877%0.76676%0.763SS**  cis-164.6146.5-10.251.4-161.583.100109.8
424S31.5Very low30.5Very low107 Ų107127 Ų12775%0.74875%0.75SS**  trans55.1151.4161.1-58.10000119.2
425D28.2Very low30.7Very low136 Ų136128.4 Ų128.473%0.72774%0.742SS**  cis-157.9155.723.6-143.4-50.4000113.1
426S30.7Very low31.3Very low86 Ų86132.9 Ų132.960%0.60174%0.743SS**  trans58.5113.1150.7-71.50000123.8
427L29.8Very low32.1Very low154 Ų154126.2 Ų126.281%0.80673%0.73SS**  trans71.9144.6135.8-52.9168.4000118.2
428T28.9Very low32.7Very low126 Ų126128.2 Ų128.277%0.77375%0.745SS**  cis-158.3143.13.9-5.10000110.2
429G27.8Very low33.4Very low61 Ų61124.9 Ų124.963%0.62972%0.723SS**  trans69.2159169.200000115.1
430E32.2Very low34.5Very low173 Ų173127.2 Ų127.281%0.80872%0.723SS**  cis-158.8-161.8-21.133.9-140.74900106.7
431E39.5Very low35.7Very low168 Ų168127.4 Ų127.479%0.78572%0.719SS**  trans70.6158.5174.1-41.1-55.573.900119.6
432E42.1Very low36.7Very low180 Ų180125.8 Ų125.884%0.84171%0.712SS**  trans55.3108.3160.4-152.3170.3175.400119.8
433N30.2Very low38Very low157 Ų157127.3 Ų127.384%0.8471%0.708SS**  trans-121.4144.7147.7-169.529.1000109.1
434V35.6Very low39.6Very low89 Ų89123.7 Ų123.754%0.53970%0.697SS.*  trans-88.1164.3-173.2-65.10000112.6
435D35.4Very low40.8Very low135 Ų135124.3 Ų124.372%0.72269%0.691SS**  trans61.4160157.5-74.5-57.8000117.3
436E43.7Very low41.8Very low171 Ų171121.5 Ų121.580%0.79968%0.682SS**  cis-115.8170.8-18.6-86.3109.8163.800107
437G42.6Very low43.1Very low59 Ų59121.7 Ų121.761%0.60868%0.683SS**  cis91.6110.627.900000110.3
438S38.3Very low43.9Very low126 Ų126121.6 Ų121.688%0.88168%0.683SS**  trans77.2157.6-167-37.10000113.1
439S43.7Very low44.4Very low54 Ų54124.1 Ų124.138%0.37868%0.683SS.*  cis-146.4104.421.4-175.10000114.9L441 E442S439-L441 PolarHBondContact O-N 3.5Å; S439-L441 PolarHBondContact OG-N 2.86Å; S439-E442 WeakPolarHBondContact O-CB 3.34Å; S439-E442 PolarHBondContact O-N 2.9Å; S439-E442 VanDerWaalsContact O-N 3.14Å; S439-E442 PolarHBondContact OG-N 3.26Å
440L46.8Very low44.9Very low136 Ų136127.2 Ų127.271%0.71269%0.69SS**Hα-helixtrans-60.8-20163.3-177.962.3000112.3E442L440-E442 VanDerWaalsContact C-N 3.27Å; L440-E442 PolarHBondContact O-N 3.04Å
441L52Low45.2Very low123 Ų123124 Ų12464%0.64469%0.687SS**Hα-helixtrans-75.4-15.8177.6-57.4174.4000112.5S439 L445S439-L441 PolarHBondContact O-N 3.5Å; S439-L441 PolarHBondContact OG-N 2.86Å; L441-L445 WeakPolarHBondContact O-CG 3.22Å; L441-L445 PolarHBondContact O-N 3.47Å
442E48.8Very low44.8Very low135 Ų135125.1 Ų125.163%0.63169%0.691SS**Hα-helixtrans-77.2-35.2179.1-162.3158.915600112.2S439 L440 L445 S446S439-E442 WeakPolarHBondContact O-CB 3.34Å; S439-E442 PolarHBondContact O-N 2.9Å; S439-E442 VanDerWaalsContact O-N 3.14Å; S439-E442 PolarHBondContact OG-N 3.26Å; L440-E442 VanDerWaalsContact C-N 3.27Å; L440-E442 PolarHBondContact O-N 3.04Å; E442-L445 PolarHBondContact O-N 3.3Å; E442-S446 WeakPolarHBondContact O-CB 3.45Å; E442-S446 PolarHBondContact O-N 3.44Å; E442-S446 PolarHBondContact O-OG 3.17Å
443E59.1Low44.7Very low134 Ų134121.7 Ų121.763%0.62669%0.688SS**Hα-helixtrans-63.5-43.9171.5-170.5-175.6120.600111.6L445 S446 S447E443-L445 PolarHBondContact O-N 3.39Å; E443-S446 PolarHBondContact O-N 2.93Å; E443-S447 PolarHBondContact O-N 2.93Å; E443-S447 PolarHBondContact O-OG 2.94Å; E443-S447 VanDerWaalsContact O-OG 3.07Å
444V65.1Low45.4Very low87 Ų87120.3 Ų120.353%0.52769%0.687SS.*Hα-helixtrans-65.5-37.9179.6178.90000111.7
445L55.4Low45.2Very low121 Ų121122.9 Ų122.963%0.63470%0.698SS**Hα-helixtrans-78.3-25.4176.8-70.3175.5000113.5L441 E442 E443L441-L445 WeakPolarHBondContact O-CG 3.22Å; L441-L445 PolarHBondContact O-N 3.47Å; E442-L445 PolarHBondContact O-N 3.3Å; E443-L445 PolarHBondContact O-N 3.39Å
446S50.5Low45.2Very low76 Ų76121.8 Ų121.853%0.53170%0.696SS.*Hα-helixtrans-70.8-39.9172.6-61.70000111.8E442 E443 L448 K449E442-S446 WeakPolarHBondContact O-CB 3.45Å; E442-S446 PolarHBondContact O-N 3.44Å; E442-S446 PolarHBondContact O-OG 3.17Å; E443-S446 PolarHBondContact O-N 2.93Å; S446-L448 PolarHBondContact O-N 2.72Å; S446-L448 VanDerWaalsContact O-N 3.13Å; S446-K449 PolarHBondContact O-N 2.79Å
447S56.8Low44.6Very low91 Ų91119.9 Ų119.964%0.63670%0.696SS**THydrogen-bonded Turntrans-65.7-12.8179.5-62.40000115.1E443E443-S447 PolarHBondContact O-N 2.93Å; E443-S447 PolarHBondContact O-OG 2.94Å; E443-S447 VanDerWaalsContact O-OG 3.07Å
448L46.6Very low44.1Very low152 Ų152123 Ų12380%0.79671%0.708SS**THydrogen-bonded Turntrans-98.911.2-177.7-117.474.4000114.1S446S446-L448 PolarHBondContact O-N 2.72Å; S446-L448 VanDerWaalsContact O-N 3.13Å
449K40.8Very low43.7Very low178 Ų178120 Ų12077%0.77470%0.696SS**  trans-133.530.8-158.3-125.3164.7-171.4169.50117.8S446S446-K449 PolarHBondContact O-N 2.79Å
450T37.7Very low43Very low126 Ų126124.2 Ų124.277%0.77372%0.72SS**  trans-127.485.1175.745.20000113.1
451S37.5Very low42.3Very low106 Ų106123 Ų12374%0.74172%0.717SS**  trans-160.1134.8157.8-830000112.7
452H32.5Very low41.3Very low191 Ų191123.4 Ų123.488%0.88472%0.718SS**  trans81.3147.4174.3-51.9-61.9000118.3
453S38.8Very low40.5Very low109 Ų109124.6 Ų124.676%0.76272%0.723SS**  trans-103.4-179.5-161.353.70000113.5
454P45.7Very low39.3Very low127 Ų127123.4 Ų123.483%0.82573%0.725SS**  -135.3-179.1110.139.8-30.9000114.3
455D31.8Very low37.7Very low143 Ų143127.8 Ų127.877%0.76574%0.74SS**  trans-99.8-179.6-178.7-173.720.7000112.1
456V34.3Very low36.8Very low112 Ų112130.6 Ų130.668%0.67975%0.75SS**  trans79.6105162.2-59.10000122.6
457V32.3Very low36Very low132 Ų132133 Ų13380%0.876%0.762SS**  87.1124.4123.8172.30000121.8
458S31.4Very low35Very low125 Ų125137.2 Ų137.287%0.87477%0.771SS**  trans72136.3157.4-168.10000118.2
459G30.6Very low34.5Very low61 Ų61137.2 Ų137.263%0.62977%0.772SS**  cis163.3174.6-2.600000112.1
460V29.3Very low34.4Very low143 Ų143137.1 Ų137.187%0.86778%0.775SS**  trans71.4142.5-176.4169.30000114.9
461V30.7Very low34.3Very low110 Ų110135.5 Ų135.567%0.66777%0.774SS**  cis157.2159.1-30.4150.80000108.2
462M31.7Very low34.3Very low132 Ų132135.8 Ų135.865%0.6577%0.771SS**  trans88.4112.6-171.9-46.2-81.372.400112
463E31.2Very low34.3Very low160 Ų160134.5 Ų134.575%0.74877%0.765SS**  76.4138.674.8-72.8172.2-172.400111.8
464T34.8Very low34.2Very low109 Ų109134 Ų13467%0.66976%0.757SS**  cis-138.9139.420.948.30000111.8
465E31.9Very low33.8Very low180 Ų180132.7 Ų132.784%0.84174%0.743SS**  77.4171.598-54.3-161.7126.300116.4
466E36.2Very low34Very low179 Ų179133.2 Ų133.284%0.83674%0.741SS**  trans70.7108-172.5-52.8-176.5163.600113.6
467T33.9Very low34.1Very low127 Ų127135.9 Ų135.978%0.77974%0.739SS**  cis70.4146.138.483.50000113.3
468E35.2Very low34.3Very low179 Ų179137.1 Ų137.184%0.83673%0.734SS**  cis-130.4-177-4.9-62.1177.811500106.9
469D37.3Very low34.6Very low152 Ų152137.7 Ų137.781%0.81372%0.722SS**  cis-97.3-166.5-1-44.1-80.6000111.3
470E37.7Very low34.9Very low177 Ų177143.3 Ų143.383%0.82773%0.732SS**  cis86.9102.73.4-156.6178.1-144.700121.6
471A36.4Very low35.2Very low91 Ų91145.1 Ų145.175%0.75273%0.731SS**  trans178.6116.8139.300000109.6
472V37Very low35.3Very low113 Ų113146.9 Ų146.969%0.68574%0.737SS**  74.3122.668.6171.60000112.2
473E33.1Very low36.2Very low164 Ų164145.6 Ų145.677%0.76674%0.738SS**  cis-157.3156.5-4.6-121.2-175.1140.600113.4
474V34.8Very low36.4Very low98 Ų98144.9 Ų144.959%0.59475%0.745SS**  trans14.7122.2134175.70000120.1
475D37.7Very low36.1Very low100 Ų100142.8 Ų142.854%0.53575%0.745SS.*  -174.2126.1109.7-125.8-156.2000107.6R477D475-R477 IonicContact OD1-CZ 3.48Å; D475-R477 IonicContact OD1-NE 3.21Å; D475-R477 PolarHBondContact OD1-NE 3.29Å; D475-R477 IonicContact OD1-NH1 3.63Å; D475-R477 IonicContact OD1-NH2 2.67Å; D475-R477 PolarHBondContact OD1-NH2 3.19Å; D475-R477 IonicContact OD2-CZ 2.79Å; D475-R477 IonicContact OD2-NE 3.39Å; D475-R477 PolarHBondContact OD2-NE 2.87Å; D475-R477 IonicContact OD2-NH1 2.65Å; D475-R477 PolarHBondContact OD2-NH1 3.43Å; D475-R477 IonicContact OD2-NH2 2.99Å; D475-R477 PolarHBondContact OD2-NH2 3.28Å
476E35.8Very low36.2Very low153 Ų153140 Ų14072%0.71574%0.744SS**  cis58142.445.3-61.4-148.814000112.8
477R36.8Very low35.9Very low169 Ų169141.2 Ų141.264%0.63875%0.75SS**  cis-167.9173.925.733.3-104.9176.6168.1-18112.3D475D475-R477 IonicContact OD1-CZ 3.48Å; D475-R477 IonicContact OD1-NE 3.21Å; D475-R477 PolarHBondContact OD1-NE 3.29Å; D475-R477 IonicContact OD1-NH1 3.63Å; D475-R477 IonicContact OD1-NH2 2.67Å; D475-R477 PolarHBondContact OD1-NH2 3.19Å; D475-R477 IonicContact OD2-CZ 2.79Å; D475-R477 IonicContact OD2-NE 3.39Å; D475-R477 PolarHBondContact OD2-NE 2.87Å; D475-R477 IonicContact OD2-NH1 2.65Å; D475-R477 PolarHBondContact OD2-NH1 3.43Å; D475-R477 IonicContact OD2-NH2 2.99Å; D475-R477 PolarHBondContact OD2-NH2 3.28Å
478K37Very low36Very low158 Ų158137.7 Ų137.769%0.68774%0.739SS**  trans80.2144.2158.6-52.4-171.4147.2-730116.7
479E36.8Very low36.1Very low136 Ų136135 Ų13564%0.63674%0.737SS**  cis-151.3174.8-5.4-137.692.3-9100106
480E37.3Very low35.5Very low180 Ų180131.9 Ų131.984%0.84173%0.732SS**  cis-135.8126.413.7-62.2179.4126.300112.6
481E34.9Very low35.1Very low181 Ų181131 Ų13185%0.84673%0.732SS**  trans37.1106.6133.1-92.3-173.1112.300122.7
482D34.1Very low35.1Very low146 Ų146132.1 Ų132.178%0.78174%0.735SS**  -60.8169.3129.7-123.4-19.4000109.5
483P49.4Very low35.1Very low105 Ų105132.6 Ų132.668%0.68274%0.74SS**  cis-144.3169.122.641.5-21.5000118.5
484T35.6Very low34.9Very low145 Ų145131.5 Ų131.589%0.8974%0.739SS**  trans-161.7138.8145.4-6.70000111.6
485G30.1Very low34.7Very low65 Ų65132.2 Ų132.267%0.6774%0.744SS**  cis159.798.3-7.300000112.6
486C32.3Very low34.3Very low122 Ų122132.2 Ų132.282%0.82475%0.752SS**  trans38.6113.7162.4-59.30000120.6
487E29.7Very low34.2Very low205 Ų205130.9 Ų130.996%0.95875%0.749SS**  trans-90.9128138.8-95.2-76.1111.500108.7
488G36Very low33.7Very low52 Ų52131.9 Ų131.954%0.53675%0.753SS.*  trans124.9128.5-171.400000110.8
489P38.8Very low33.2Very low124 Ų124130.2 Ų130.281%0.80576%0.756SS**  cis-106.6152.642.838.6-35.1000113.6
490A25Very low32.9Very low85 Ų85128 Ų12870%0.70276%0.762SS**  cis77.612443.400000115.2
491L29.5Very low32.4Very low160 Ų160126.7 Ų126.784%0.83876%0.755SS**  trans80.994.1162.8-50.3-178.1000121
492S34.6Very low32.1Very low114 Ų114124.7 Ų124.780%0.79775%0.746SS**  trans73.3165.9130.779.50000120.4
493P38.8Very low32Very low122 Ų122124.8 Ų124.879%0.79274%0.742SS**  cis-118.1-168.6-17.438.9-23.9000112.8
494D27.8Very low31.1Very low141 Ų141127.1 Ų127.175%0.75474%0.744SS**  trans-75.8166.6-175.4-151.9-47.1000114.7
495T31.7Very low30.9Very low114 Ų114127.4 Ų127.470%0.69974%0.735SS**  trans72.9144.3170.175.30000116.1
496S28.3Very low30.8Very low100 Ų100129 Ų12970%0.69973%0.731SS**  cis-157.8159.340.4-68.60000115.2
497D33.1Very low30.6Very low124 Ų124130 Ų13066%0.66373%0.728SS**  trans72.1141.1150.9-97.5-35000118.7
498R27.4Very low31.1Very low191 Ų191124.7 Ų124.772%0.72171%0.711SS**  cis-158.41527.5-159.9149.5-174.198.7-5.9114
499T26.7Very low30.9Very low122 Ų122130.2 Ų130.275%0.74872%0.723SS**  trans58.493.115739.60000121
500A29.3Very low30.3Very low91 Ų91129 Ų12975%0.75272%0.718SS**  62153.5104.700000123.3
501Q27Very low30.6Very low151 Ų151131.3 Ų131.371%0.70672%0.717SS**  trans77.3130.8170.7-86.2173.5-93.100118.6
502E30.1Very low30.4Very low139 Ų139131.2 Ų131.265%0.6571%0.712SS**  trans65.6145.2138.6-69.6149.6-16400118.3
503E30.2Very low30.2Very low149 Ų149132.1 Ų132.170%0.69670%0.704SS**  cis-159.3-161.4-9.4-126.4165.6165.700109.6
504E32.3Very low29.8Very low153 Ų153134.5 Ų134.572%0.71571%0.705SS**  trans19.7149.6139.6-65-170.4138.200121.8
505E30.2Very low29.9Very low152 Ų152135.7 Ų135.771%0.7171%0.706SS**  cis-161.7167.37.8-132-161.214800112.2
506V27.3Very low29.7Very low97 Ų97135.4 Ų135.459%0.58870%0.703SS**  trans38.7130.1139.8161.10000120.6
507L28.4Very low29.5Very low145 Ų145136 Ų13676%0.75970%0.703SS**  57.7179.167.8-87.1173.4000113
508P41.7Very low29.3Very low92 Ų92135.4 Ų135.460%0.59770%0.704SS**  cis-1101491.643.2-31.8000114.7
509Q30Very low29.5Very low169 Ų169134.1 Ų134.179%0.7971%0.706SS**  67.4145.8108.9-58.4168.5-6.900115.7
510S26.6Very low29.9Very low99 Ų99136 Ų13669%0.69271%0.706SS**  cis-148134.19.9-179.20000106.9
511L31.4Very low29.9Very low133 Ų133140 Ų14070%0.69671%0.709SS**  48.4130.181.4-80170.7000112.7E513L511-E513 HydrophobicContact CD2-CG 4.08Å; L511-E513 WeakPolarHBondContact CD2-OE1 2.99Å
512Q26Very low30.3Very low157 Ų157141.6 Ų141.673%0.73472%0.717SS**  cis-136.1143.729.4-68.2-178.8-97.600111.1
513E30.6Very low30.5Very low134 Ų134144.4 Ų144.463%0.62673%0.73SS**  65.3142.391.7-50.9156.9166.400113.1L511L511-E513 HydrophobicContact CD2-CG 4.08Å; L511-E513 WeakPolarHBondContact CD2-OE1 2.99Å
514E29.9Very low30.8Very low171 Ų171146.1 Ų146.180%0.79974%0.738SS**  cis-151-167.614-144.1174.9116.500113.2
515E30.8Very low31Very low167 Ų167147.7 Ų147.778%0.7875%0.745SS**  trans-71.8-162-176.9-164.6178.3111.800114.6
516V27Very low31.1Very low107 Ų107148.5 Ų148.565%0.64875%0.749SS**  trans80.885.5164.7-171.10000114.9
517T24.4Very low31.4Very low114 Ų114147.8 Ų147.870%0.69975%0.753SS**  81.1154.674.365.90000116.3
518V28.9Very low31.7Very low111 Ų111150.3 Ų150.367%0.67376%0.758SS**  trans80.8120.2155.6160.50000118.1
519E31.5Very low31.2Very low163 Ų163150.8 Ų150.876%0.76276%0.764SS**  trans50.6163.1142-63.7157.1-15900119.2
520E33.6Very low31.2Very low163 Ų163150.7 Ų150.776%0.76277%0.767SS**  cis-157.8-165.7-23.3-112.1-178.216500106.2
521E30.2Very low31.6Very low173 Ų173154.8 Ų154.881%0.80878%0.775SS**  trans69.9116.9166.2-54.2-174151.700115
522E35.2Very low31.8Very low186 Ų186156.5 Ų156.587%0.86978%0.779SS**  63.6112.875.7-71.6-163.7169.900114.9
523E34.3Very low32.4Very low198 Ų198157.9 Ų157.993%0.92579%0.786SS**  -157148.2118.4-122.3175.9177.800110.1
524E35.5Very low32.9Very low184 Ų184157.3 Ų157.386%0.8679%0.794SS**  trans-78.1169.2166.6-62.1178.9108.700110.2
525E37.3Very low33Very low186 Ų186158 Ų15887%0.86980%0.797SS**  -168.3164.2126.5-105.1-67.5173.600111
526E33Very low33.2Very low169 Ų169157.8 Ų157.879%0.7980%0.796SS**  trans-99.9159.5-157.8-152.9-164.499.200113.8
527A32.3Very low33.5Very low82 Ų82157.8 Ų157.868%0.67879%0.792SS**  trans63.4143.3160.500000117.1
528K35.4Very low33.8Very low198 Ų198160.3 Ų160.386%0.86179%0.794SS**  cis-162.8141.933.1-170.1170.4-177.9171.30110.6
529S30.7Very low34Very low103 Ų103161.2 Ų161.272%0.7280%0.799SS**  trans-82.3139.3173.945.80000112.8
530I30.8Very low33.9Very low166 Ų166158.3 Ų158.385%0.85180%0.797SS**  trans159.395.8132.6-80.1159.7000109.7
531E35.3Very low34.1Very low185 Ų185159 Ų15986%0.86480%0.8SS**  trans-158142.6159.5-110.6178.817000103.3
532E35.1Very low34.3Very low169 Ų169158.3 Ų158.379%0.7980%0.797SS**  cis-134.91675.7-54.6172.399.300109.9
533E39.1Very low34.1Very low186 Ų186156.7 Ų156.787%0.86979%0.787SS**  trans-86.1151.6146.4-77.3-163156.100108.7
534P40.6Very low34.6Very low122 Ų122154.7 Ų154.779%0.79278%0.781SS**  trans-136.9150.3134.335.9-24.8000116.3
535E31.8Very low34.4Very low185 Ų185153.5 Ų153.586%0.86478%0.776SS**  trans-50.3149.6-178.4-54.8172.9124.300117.5
536E35.2Very low34Very low164 Ų164152.5 Ų152.577%0.76677%0.771SS**  trans-22.1144.5149.4-50.2172.1171.700118
537N32.3Very low34Very low106 Ų106150.8 Ų150.857%0.56777%0.765SS**  158.1156106.6-95.3-81.1000117.5
538K31.6Very low33.9Very low168 Ų168153.8 Ų153.873%0.7377%0.766SS**  trans75.3134.4158.8-61.4130.6-160.8149.30116.8
539V32.6Very low33.6Very low129 Ų129151.9 Ų151.978%0.78276%0.76SS**  cis72.5120.940.9-176.90000110.4
540S30.6Very low33.4Very low102 Ų102153.1 Ų153.171%0.71376%0.763SS**  cis-139.8166.144.6-44.80000111.1
541E37.8Very low33.4Very low178 Ų178147.7 Ų147.783%0.83274%0.743SS**  cis66.494.139.8-166.5-172.9-114.400114.9
542Q33.9Very low33.3Very low159 Ų159146.3 Ų146.374%0.74374%0.736SS**  trans178.5153155-101.8170.611.300109.1
543F30.8Very low33.1Very low152 Ų152146 Ų14667%0.66774%0.735SS**  cis-143.1148.86.1-141.2-71.3000110.3
544I45.8Very low32.7Very low156 Ų156146.1 Ų146.180%0.874%0.735SS**  trans-118.4124.6168.3-61.8170.9000108.2
545Q30.5Very low32.3Very low158 Ų158149.1 Ų149.174%0.73874%0.739SS**  trans175.3127.5147.6-104.5161.64.200113.9
546H29Very low32.3Very low165 Ų165149 Ų14976%0.76474%0.738SS**  -175.3115.6119.5-95.668.2000105.8
547I33.8Very low32.1Very low133 Ų133147.1 Ų147.168%0.68274%0.738SS**  79.7136.684.4-78.8177.9000113
548Q30.1Very low32.2Very low146 Ų146151.4 Ų151.468%0.68276%0.755SS**  cis-178.3145-28.6-139.2173.7-13.300110.1
549H28.5Very low32Very low158 Ų158147.7 Ų147.773%0.73175%0.749SS**  trans61.7164.8177.2-64.7-93.2000114.9
550T27Very low31.8Very low129 Ų129150.1 Ų150.179%0.79175%0.752SS**  cis-115.3157.93.346.90000111.1
551A30.3Very low31.7Very low52 Ų52153.9 Ų153.943%0.4376%0.759SS.*  cis93.6134.922.400000114.2
552E32.1Very low31.3Very low156 Ų156152.1 Ų152.173%0.72975%0.75SS**  trans63145176.6-68.763.8-87.300115
553E31.8Very low30.9Very low161 Ų161150.1 Ų150.175%0.75275%0.745SS**  cis-153145.1-4.7-96.4145.6-176.900106.8
554E31.6Very low30.8Very low189 Ų189151 Ų15188%0.88375%0.751SS**  62.3144.6101.8-55.7-176.6-175.800115
555E31Very low29.9Very low185 Ų185149.1 Ų149.186%0.86475%0.747SS**  cis-156.2-176.144-165.5168.1-153.800113.2
556E32.1Very low29.9Very low182 Ų182148 Ų14885%0.8575%0.745SS**  trans-81.2177.1167.1-61175.4118.300112.4
557V30.8Very low29.8Very low126 Ų126146.7 Ų146.776%0.76474%0.743SS**  trans163.4146.8130.4157.10000112
558E34.5Very low29.5Very low196 Ų196149.9 Ų149.992%0.91676%0.755SS**  trans-119.5119.4175.3176177.4-146.900109.6
559S27.3Very low29.6Very low89 Ų89151 Ų15162%0.62276%0.761SS**  trans-171.6125.5171.254.30000107.7
560E28.4Very low29.6Very low181 Ų181152.9 Ų152.985%0.84677%0.77SS**  64.9117.464.6-66.8-164.5135.200114.5
561E29.3Very low29.8Very low180 Ų180151.8 Ų151.884%0.84176%0.762SS**  trans61158.2160.7-64.6-168.3135.900118.1
562E28.8Very low29.8Very low141 Ų141157.8 Ų157.866%0.65978%0.782SS**  cis-150.7-176-10.3-134.8-140.7101.100111.3
563N26.5Very low29.8Very low118 Ų118153.6 Ų153.663%0.63178%0.781SS**  trans-57.5141.6175.1-58.5-80.6000115.5
564Q28.5Very low30Very low170 Ų170151.8 Ų151.879%0.79477%0.772SS**  -179.6127.1114.1-94153.176.500112.3
565T26.7Very low30.1Very low117 Ų117151.3 Ų151.372%0.71876%0.762SS**  78.8143.862.9-280000115.7
566I29.6Very low30.5Very low134 Ų134149.8 Ų149.869%0.68776%0.76SS**  trans79.6114.6163.7-53169.4000116.9
567N26.5Very low30.5Very low137 Ų137147 Ų14773%0.73376%0.76SS**  -164.8104.2119.7-103.1-60.9000112.8
568Q29.2Very low30.4Very low201 Ų201144.8 Ų144.894%0.93976%0.763SS**  -150.4139.6118.7-121159.4103.900111.2
569E30.7Very low30.3Very low169 Ų169144.3 Ų144.379%0.7976%0.761SS**  trans-107.4121.4-165.2171.7-167.3141.400109.6V571E569-V571 HydrophobicContact CG-CG2 4.46Å
570E29.5Very low31Very low197 Ų197149.1 Ų149.192%0.92177%0.774SS**  trans-147.1147.6147.9-158.5163.3-160.600109.6
571V30.3Very low31.4Very low106 Ų106148.5 Ų148.564%0.64277%0.771SS**  trans-135.5148.8-157.1165.60000111.6E569E569-V571 HydrophobicContact CG-CG2 4.46Å
572E30.6Very low31.9Very low179 Ų179147.8 Ų147.884%0.83677%0.768SS**  trans75142.2168-82.6166.9-15700119.8
573G33.1Very low32.5Very low68 Ų68148 Ų14870%0.70177%0.769SS**  trans135.439.7175.900000114.8
574E35.1Very low33.2Very low122 Ų122149.6 Ų149.657%0.5777%0.772SS**  75.1134.671.4-154.4-155.3142.400114.8
575R34Very low33.8Very low180 Ų180149.2 Ų149.268%0.67977%0.77SS**  trans61.3104.7156.359-177.6134.357.211.9121.9
576D39.2Very low34.7Very low153 Ų153150.8 Ų150.882%0.81877%0.769SS**  38120.3106-177.433.3000120
577S32.9Very low35.5Very low122 Ų122151.8 Ų151.885%0.85377%0.771SS**  trans179139.2135.243.40000112.6
578G27Very low36.2Very low81 Ų81153 Ų15384%0.83577%0.773SS**  trans155.1116.5169.300000114.4
579E33.1Very low36.7Very low186 Ų186147.5 Ų147.587%0.86976%0.762SS**  trans-107.3152.6-174.7-60.7160.4131.500112
580E42.5Very low37Very low189 Ų189145.7 Ų145.788%0.88376%0.762SS**  trans40.4151.5145.7-66174.1-167.800120.7
581E37.5Very low37.6Very low169 Ų169143.9 Ų143.979%0.7975%0.753SS**  cis-143.5151.440.3-61.2171.3151.900113.2
582E38.6Very low38.1Very low165 Ų165144.4 Ų144.477%0.77176%0.757SS**  trans42.7143.5138.5-61.1178.5179.900122.1
583E41.5Very low38.5Very low145 Ų145143.2 Ų143.268%0.67875%0.749SS**  cis-166167.9-4-122.3177.7177.500111.2
584E40.3Very low38.6Very low151 Ų151146.1 Ų146.171%0.70674%0.744SS**  trans58123154.4-74.2-177.4178.600120.6
585E42.6Very low38.7Very low162 Ų162148 Ų14876%0.75775%0.753SS**  75.9144.284.6-92.1-179-165.900114.6
586E45Very low40.2Very low150 Ų150143.9 Ų143.970%0.70175%0.749SS**  cis-163.5-175.30.3-149.9-177.1-169.700111.1
587E45.4Very low39.9Very low156 Ų156145.4 Ų145.473%0.72975%0.751SS**  trans85145.4148.1-65.2-100.781.200125.5
588E41.9Very low40Very low162 Ų162143.7 Ų143.776%0.75775%0.745SS**  trans41.7108.5154.7-64.5-155.4122.700127.1
589A39Very low40.3Very low86 Ų86145.4 Ų145.471%0.71174%0.739SS**  56.1163.797.300000125.6
590V38.6Very low40.4Very low131 Ų131142.7 Ų142.779%0.79473%0.73SS**  trans81.6145.8162.3178.30000117.8
591E41.9Very low40.1Very low159 Ų159139.8 Ų139.874%0.74372%0.716SS**  cis179.8-178.3-27.8-162.1-165.512800109
592V40.7Very low39.9Very low117 Ų117137.7 Ų137.771%0.70971%0.705SS**  trans78.3141.1155.9172.10000117.7
593K39.6Very low39.6Very low154 Ų154132.4 Ų132.467%0.6769%0.685SS**  cis-175.5-165-15.9-99.7-122.8-178.7179.80108.6
594E35.2Very low39.1Very low129 Ų129131.5 Ų131.560%0.60368%0.681SS**  cis-148.6-124.511.1-168.150-6200113.3
595E36.8Very low38.6Very low162 Ų162129.5 Ų129.576%0.75768%0.675SS**  trans-166.2-171.7-161.1-99.8-171.313600108.9
596P65.2Low38.3Very low92 Ų92129.7 Ų129.760%0.59768%0.676SS**  cis-143.5-164.1-49.544.7-26.3000115.1
597E31.9Very low37.8Very low185 Ų185127.4 Ų127.486%0.86467%0.672SS**  trans65.1167.2154.1-71.5-177.2128.200121.6
598A36.3Very low37.4Very low87 Ų87127.7 Ų127.772%0.71967%0.674SS**  cis175.7177.1-38.500000108.3
599V33.2Very low37Very low116 Ų116127.1 Ų127.170%0.70367%0.671SS**  cis-167.9161.82.673.80000110.6
600D35.1Very low37Very low129 Ų129131.1 Ų131.169%0.6967%0.668SS**  trans63.8171.9164.4-60.8-28.1000117.6
601E36.7Very low36.9Very low128 Ų128131 Ų13160%0.59866%0.659SS**  cis-167.6121.1-27.8-111.5-157.4121.800111.1E833E601-E833 VanDerWaalsContact C-OE2 3.31Å
602K33.4Very low36.6Very low126 Ų126132.2 Ų132.255%0.54866%0.664SS.*  93112.5117.5-164.1170.6-179.3169.20124.5E833 E834K602-E833 PolarHBondContact N-OE2 2.89Å; K602-E834 VanDerWaalsContact C-OE2 3.29Å; K602-E834 VanDerWaalsContact CA-CD 3.47Å; K602-E834 WeakPolarHBondContact CA-OE2 3.44Å; K602-E834 VanDerWaalsContact N-CD 3.29Å; K602-E834 PolarHBondContact N-OE1 3.45Å; K602-E834 PolarHBondContact N-OE2 3.23Å
603C31.1Very low36.1Very low53 Ų53130.4 Ų130.436%0.35867%0.669SS.*  trans89.9128137.4-84.50000125.1E834 E835C603-E834 PolarHBondContact N-OE2 3.2Å; C603-E835 WeakPolarHBondContact CA-O 3.46Å
604Q32.2Very low35.6Very low126 Ų126129 Ų12959%0.58968%0.678SS**  103.2126.5121-83.6168.756.300123.3E835Q604-E835 PolarHBondContact N-O 3.47Å
605N28.7Very low35.1Very low110 Ų110128.2 Ų128.259%0.58869%0.686SS**  95128.5128.5-85.527000123.4
606E35.6Very low34.7Very low165 Ų165125.9 Ų125.977%0.77168%0.683SS**  trans71.1152135.4-66.8-178.6115.200118.5
607V35.5Very low33Very low103 Ų103129.5 Ų129.562%0.62469%0.691SS**  cis-166.7174.2-10.11230000110
608E36.3Very low32.9Very low161 Ų161126.8 Ų126.875%0.75269%0.687SS**  trans74.7127.8164.4-90.1157.6-147.200117.3
609E35.1Very low32.8Very low151 Ų151131 Ų13171%0.70669%0.692SS**  77144.181.3-77.5-157.2-165.500113.8
610R38.2Very low32.6Very low169 Ų169132.8 Ų132.864%0.63869%0.693SS**  cis177.8171.6-2.5157.5176.2158.9-140.6-21.4111.2
611E36.5Very low32.4Very low130 Ų130131.2 Ų131.261%0.60769%0.688SS**  trans67.5123.2162.4-89.5155-165.100116.7
612E34.9Very low32.1Very low184 Ų184134.1 Ų134.186%0.8669%0.693SS**  87.5148.478.5-84.7-152.914400114.9
613G31Very low31.8Very low78 Ų78134 Ų13480%0.80470%0.698SS**  trans86.1157.4-174.800000113.4
614S28.1Very low32.1Very low124 Ų124139 Ų13987%0.86772%0.716SS**  cis-145.4179.8-10.9-164.30000110.3
615C25.2Very low32.2Very low113 Ų113141.9 Ų141.976%0.76473%0.73SS**  trans-90.5-178.4-179.6-61.90000112.6
616V29.5Very low32.5Very low113 Ų113146 Ų14669%0.68575%0.746SS**  trans102.1132154.7-171.60000116.7
617E28.3Very low32.5Very low168 Ų168142 Ų14279%0.78574%0.74SS**  trans44.5136.3163.5-73.2131.4-153.800120.4
618V30.4Very low32.4Very low128 Ų128145.6 Ų145.678%0.77675%0.751SS**  cis84.1135.139.8179.20000112.6
619E33.5Very low32.6Very low175 Ų175146.3 Ų146.382%0.81875%0.754SS**  trans72153.2-169.1-55.7-164152.500114.1
620E29.9Very low32.7Very low155 Ų155146.7 Ų146.772%0.72476%0.756SS**  cis-160.4148.6-21.2-118.8-151.7141.800110.4
621V29.7Very low32.6Very low95 Ų95142 Ų14258%0.57675%0.753SS**  trans63.1162.2140.6170.40000120.6
622R30.7Very low32.4Very low190 Ų190144.5 Ų144.572%0.71777%0.765SS**  trans78.5114.6178-82.6166165.863.525.8116.4
623D27.4Very low32.6Very low122 Ų122139.7 Ų139.765%0.65276%0.757SS**  cis89.4154.240-58.8-47.7000112.4
624E37.6Very low32.9Very low158 Ų158144 Ų14474%0.73876%0.756SS**  trans68.798.6174.8-62.7145.4-13800113.2
625E34.6Very low33.4Very low188 Ų188145.2 Ų145.288%0.87975%0.752SS**  80.6149.661.5-68.4-156.412800115.1
626E34.5Very low34.2Very low196 Ų196147.2 Ų147.292%0.91675%0.75SS**  trans66.1149.5175.8-68.7-177.2171.200116.9
627A36.7Very low34.8Very low80 Ų80149.1 Ų149.166%0.66175%0.752SS**  cis-157.5152.9-15.500000111.4
628E33.3Very low35.7Very low180 Ų180146.5 Ų146.584%0.84174%0.74SS**  trans43.8167.3139.3-58.4-173.8161.800123.8
629E39Very low35.7Very low176 Ų176147.3 Ų147.382%0.82274%0.737SS**  trans68.2148.7168.7-60.6-155.6144.100118.3
630E36.9Very low36Very low159 Ų159143.8 Ų143.874%0.74373%0.728SS**  cis-160.5-167.1-18.7-115.6-61.2140.300109.3
631A36.3Very low36.2Very low70 Ų70145.3 Ų145.358%0.57974%0.735SS**  trans-5.2138.2156.600000119.3
632E33.6Very low36.2Very low183 Ų183144.2 Ų144.286%0.85574%0.743SS**  65.5151.860.3-76-77.6-174.200114.4
633A38.6Very low36.4Very low83 Ų83142.8 Ų142.869%0.68675%0.747SS**  trans71.7148.7171.600000115.9
634E37.7Very low38.1Very low169 Ų169142.2 Ų142.279%0.7975%0.75SS**  cis-142.4141.1-13.2-66.2-157133.500106.7
635D38.9Very low37.7Very low148 Ų148142 Ų14279%0.79175%0.754SS**  87.4177.573.2-151.77.3000113.9
636E41.3Very low37.8Very low155 Ų155136.2 Ų136.272%0.72474%0.739SS**  trans79.3135.2166.8-55.6-164.4-133.500119.7
637E41.3Very low37.8Very low153 Ų153135.9 Ų135.972%0.71574%0.737SS**  cis-158.8161.6-21-113.1-109.6111.800112
638E47.3Very low37.9Very low114 Ų114139.3 Ų139.353%0.53375%0.745SS.*  trans28.8142.5149.8-128.1-155.1165.100124.7T640E638-T640 WeakPolarHBondContact OE1-CG2 2.68Å
639M31.1Very low38.1Very low144 Ų144139 Ų13971%0.70974%0.743SS**  176.2104.2110.3-94-72.9165.500113.2
640T39.2Very low38.2Very low102 Ų102138.7 Ų138.763%0.62674%0.741SS**  trans47.5164.6133.9640000121.4E638E638-T640 WeakPolarHBondContact OE1-CG2 2.68Å
641E34.2Very low38.3Very low187 Ų187138 Ų13887%0.87474%0.743SS**  cis-154.2165.89.7-154.6-172.7177.500110
642G29.7Very low39.1Very low72 Ų72138.7 Ų138.774%0.74274%0.742SS**  trans141.292.2160.300000117.8
643I34.8Very low39.1Very low160 Ų160136.1 Ų136.182%0.82174%0.739SS**  trans-97.2-170.6-168.6-23179000113
644P63.5Low38.8Very low109 Ų109136 Ų13671%0.70874%0.737SS**  -112.5-170.5-115.844.3-28.6000115.7
645D29.1Very low38.6Very low153 Ų153133.6 Ų133.682%0.81874%0.739SS**  -173.8164.8114.1-131.9-29.8000116.5
646A37.2Very low38.3Very low68 Ų68130.7 Ų130.756%0.56273%0.731SS**  trans52.1112.9144.800000126.1
647E34.1Very low37.9Very low189 Ų189130.4 Ų130.488%0.88373%0.732SS**  66.9167.6116.2-64.8171.9-155.200124.1
648D38.3Very low37.5Very low152 Ų152129.7 Ų129.781%0.81373%0.733SS**  trans60.1125-166.9-82-1000116.8
649E38.7Very low36.8Very low172 Ų172131.2 Ų131.280%0.80474%0.74SS**  cis92.9163.133.9-72.3-73.3-177.500115.8
650E40.7Very low37Very low170 Ų170133.1 Ų133.179%0.79475%0.747SS**  trans78.871.4175.7-55.2-85.4124.100118.5
651D38.7Very low36.7Very low145 Ų145131.9 Ų131.978%0.77575%0.754SS**  -66.7153.3127.4-16447.9000106.5
652P52.7Low36.8Very low85 Ų85132.5 Ų132.555%0.55276%0.757SS**  cis-154-165.637.630.9-2.2000117.7
653T34Very low37.1Very low129 Ų129132.1 Ų132.179%0.79175%0.754SS**  trans101.5155.2144.673.10000120.4
654A32.6Very low37.3Very low80 Ų80131.7 Ų131.766%0.66175%0.753SS**  cis178.1150.3-4100000108.7
655S33.4Very low36.1Very low118 Ų118133.6 Ų133.683%0.82576%0.757SS**  trans64161.6156.3-87.90000116.7
656S32.4Very low36.6Very low88 Ų88133.2 Ų133.262%0.61576%0.755SS**  cis-148161.3-9.2-105.90000106.9
657I32.3Very low37Very low148 Ų148133.3 Ų133.376%0.75976%0.756SS**  47.5126.676.2-90.7174.6000111.9
658L32.9Very low37.2Very low138 Ų138129.9 Ų129.972%0.72375%0.748SS**  cis-170.9-169.1-11.1-138.7-177.9000106.4
659E33.3Very low37.4Very low146 Ų146129.1 Ų129.168%0.68274%0.743SS**  trans71.7142.2145.3-75.6-73.575.400121.3
660E34.4Very low37.4Very low185 Ų185128.5 Ų128.586%0.86474%0.74SS**  trans57.2143.4159.2-12.9-168.1-133.600121.8
661G33.2Very low37.3Very low75 Ų75126.5 Ų126.577%0.77374%0.74SS**  trans158.6102.7163.700000116.5
662E37.6Very low37.4Very low200 Ų200126.4 Ų126.494%0.93574%0.74SS**  trans-57.6157147-67.814399.400109.4
663G35.6Very low36.7Very low65 Ų65129 Ų12967%0.6775%0.749SS**  cis131.4150.615.900000109.5
664D37.9Very low36.9Very low151 Ų151129.7 Ų129.781%0.80774%0.743SS**  trans62.2138.5168.5-64.6-36.2000121.6
665D40.1Very low37Very low149 Ų149133.1 Ų133.180%0.79775%0.749SS**  trans64.5158.6145.7-59.1-20.2000121.3
666D38.3Very low37.1Very low144 Ų144134.7 Ų134.777%0.7775%0.747SS**  cis-138.7171.33.5-164.914.3000112.7
667A44.9Very low38Very low71 Ų71135.8 Ų135.859%0.58775%0.752SS**  trans-69.3178.2-176.400000116.1
668T39.9Very low37.9Very low117 Ų117137.7 Ų137.772%0.71876%0.758SS**  166.7166.891.141.80000109.1
669L41.5Very low37.8Very low135 Ų135133.9 Ų133.971%0.70775%0.752SS**  cis-165124.9-25.3-95169.2000105.6
670E39.7Very low37.8Very low159 Ų159133.1 Ų133.174%0.74375%0.752SS**  99164.491.8-165.7168.7-13100114.7
671T38.2Very low37.8Very low128 Ų128131.3 Ų131.379%0.78574%0.744SS**  trans74.1121.6-177.669.10000115.6
672D40Very low37.9Very low144 Ų144135.2 Ų135.277%0.7774%0.742SS**  cis82.898.45.9-143.2-39.3000117.6
673D37.9Very low37.7Very low140 Ų140132.4 Ų132.475%0.74973%0.729SS**  trans-177.4172.6154.8-108-21.9000108.5
674Q39.3Very low37.5Very low142 Ų142136.7 Ų136.766%0.66473%0.731SS**  -166.2164-72.8-110.4-169.5111.400110.2
675I33.2Very low37.4Very low152 Ų152135 Ų13578%0.77973%0.726SS**  trans79.4148.1152.3-71.7158.2000120
676L37.5Very low37.1Very low151 Ų151135 Ų13579%0.79173%0.726SS**  trans-91.1-178.2-179.5-69.6160.8000112.1
677P49.6Very low36.9Very low112 Ų112133.6 Ų133.673%0.72772%0.718SS**  -129.7154.795.942.3-35.2000111
678E32Very low36.4Very low188 Ų188135.5 Ų135.588%0.87972%0.715SS**  cis64.7128.147.1-165173.9-135.500111.9
679G30.7Very low36.1Very low57 Ų57134.8 Ų134.859%0.58871%0.707SS**  cis175.6169.3-5.900000109.4
680N31.8Very low35.8Very low130 Ų130134.2 Ų134.270%0.69571%0.714SS**  trans162.9124.1153.2-90.412000109.8
681E34.6Very low35.3Very low148 Ų148130 Ų13069%0.69271%0.713SS**  87.4135.783104.1-160.6138.800110.7
682E35.1Very low35.1Very low156 Ų156128 Ų12873%0.72971%0.709SS**  cis-140.2137.99.1-95163.3-168.100108.4
683Q33.2Very low34.7Very low141 Ų141129.2 Ų129.266%0.65971%0.711SS**  85.5131.786.7-158.5174.318.200115.7
684E33Very low34.5Very low155 Ų155130.7 Ų130.772%0.72471%0.713SS**  trans22.2144154-53.7160.3-14300121
685V34.8Very low34.2Very low115 Ų115131.8 Ų131.870%0.69772%0.718SS**  cis-159.7158.745.3-82.50000113.2
686L33.9Very low34.2Very low150 Ų150132.8 Ų132.879%0.78572%0.72SS**  trans17151.1131.7-45.4176.1000120.2
687N33.6Very low33.9Very low114 Ų114134.3 Ų134.361%0.6172%0.723SS**  cis-161.214823.5-149.237.8000116.2
688E35.1Very low33.3Very low112 Ų112137.6 Ų137.652%0.52373%0.728SS.*  trans26.6131.8142.7-70.5-174.3116.900126.1
689N33.7Very low33.2Very low102 Ų102136.8 Ų136.855%0.54572%0.724SS.*  75.2127126.9-62.8-27.7000123.4
690S35.1Very low33.3Very low122 Ų122138.4 Ų138.485%0.85372%0.722SS**  trans56.8136.1143.8550000120.8
691G29.9Very low33.4Very low70 Ų70138.6 Ų138.672%0.72272%0.719SS**  cis127.9137.6-4.200000113.3
692A33.5Very low33.4Very low87 Ų87139.1 Ų139.172%0.71973%0.726SS**  trans64.6152.5-172.100000114
693E31.7Very low33.1Very low170 Ų170135 Ų13579%0.79471%0.707SS**  cis-159177.9-22.5-114.7159.3-106.300106.1
694E34Very low33.3Very low171 Ų171135.2 Ų135.280%0.79971%0.712SS**  trans63.6174.9171-64.9163-168.400115.5
695E31.7Very low33.2Very low164 Ų164136.6 Ų136.677%0.76671%0.711SS**  -152.1174.2-52.1-106.3-176.2170.300107.8
696E33.7Very low32.9Very low174 Ų174139.5 Ų139.581%0.81371%0.714SS**  trans63131.4169.4-67.7177.9165.400116.6
697E31.2Very low32.8Very low183 Ų183137.5 Ų137.586%0.85571%0.713SS**  72.890.858.7-68.7-163-166.100115.1
698E37.5Very low32.7Very low181 Ų181139.6 Ų139.685%0.84672%0.719SS**  trans-174.8138.5130.9-96.1-169.513600105.4
699E29.7Very low32.3Very low171 Ų171140.9 Ų140.980%0.79973%0.729SS**  49.914364.9-75.7-155.398.700112.8
700V31.9Very low32Very low90 Ų90141.5 Ų141.555%0.54574%0.737SS.*  cis-148.2179.612.1-1300000109.7
701E33.9Very low32.1Very low134 Ų134142.7 Ų142.763%0.62673%0.729SS**  trans71.6144.7151.3-78.7172.3155.800119.2Q703E701-Q703 HydrophobicContact CG-CB 4.06Å; E701-Q703 HydrophobicContact CG-CG 3.67Å; E701-Q703 VanDerWaalsContact CG-NE2 3.25Å; E701-Q703 PolarHBondContact OE1-NE2 3.48Å
702L35.7Very low32.1Very low159 Ų159149.5 Ų149.583%0.83273%0.732SS**  cis-104.2128.12.4-67164.5000108.9
703Q28.5Very low32Very low71 Ų71150.4 Ų150.433%0.33273%0.734SS.*  50.79052.7-61.7-147.288.500114.1E701E701-Q703 HydrophobicContact CG-CB 4.06Å; E701-Q703 HydrophobicContact CG-CG 3.67Å; E701-Q703 VanDerWaalsContact CG-NE2 3.25Å; E701-Q703 PolarHBondContact OE1-NE2 3.48Å
704D36.3Very low32.8Very low144 Ų144147.7 Ų147.777%0.7773%0.731SS**  -158.5131.9103.1-91.2-29.3000108.2
705R31.3Very low32.7Very low184 Ų184146.4 Ų146.469%0.69473%0.729SS**  65.5116.854.6-59.8-178.1175.4-1643.5110.7
706K28.4Very low32.8Very low176 Ų176141.4 Ų141.477%0.76572%0.722SS**  66.299.364-174.4-167.2170.1-174.20111.4
707S32.5Very low32.8Very low108 Ų108139.9 Ų139.976%0.75572%0.72SS**  trans-135.9118.8148.5-50.30000103.9
708E30.4Very low33Very low159 Ų159139.2 Ų139.274%0.74372%0.717SS**  64.511680.6-74.8169.276.800111
709D27.6Very low32.8Very low139 Ų139135 Ų13574%0.74371%0.707SS**  106.3157.655.5-168.674.4000107.9
710V28.1Very low33Very low115 Ų115133.6 Ų133.670%0.69770%0.7SS**  trans70.8156.8165.2102.50000119
711E36.7Very low33.2Very low146 Ų146135.9 Ų135.968%0.68271%0.71SS**  trans55.5101.9174.3-63.5-69.978.800117.3
712R29.5Very low33.2Very low213 Ų213136.2 Ų136.280%0.80472%0.715SS**  89.4138.462.4173.9170.9-82-113.8-11.2112.6
713S32.1Very low33.2Very low106 Ų106133.9 Ų133.974%0.74171%0.708SS**  trans-55.8163.8176.7-39.80000113.7
714P48.4Very low33.5Very low113 Ų113138.2 Ų138.273%0.73473%0.728SS**  -125.1155.2110.636.3-33.5000114.6
715D32.3Very low33.7Very low144 Ų144138 Ų13877%0.7773%0.726SS**  trans32.9139.3151.6-66.3-112.6000123.3
716G33.5Very low33.9Very low60 Ų60132.4 Ų132.462%0.61973%0.726SS**  cis153.2164.4-8.500000116.1
717N34.1Very low34.4Very low142 Ų142132.2 Ų132.276%0.75973%0.725SS**  trans72140.7167.2-40.7-69.3000114.4
718Q35Very low34.6Very low169 Ų169134.4 Ų134.479%0.7973%0.728SS**  cis-129.3158.17.7-54170.7-77.700107.1
719S34Very low34.7Very low92 Ų92130 Ų13064%0.64373%0.725SS**  cis52.5145.844.577.10000112.7
720E33.1Very low35Very low142 Ų142130 Ų13066%0.66473%0.731SS**  cis-140.1168.9-6.340.9-108.759.300105.6
721D35.6Very low35.4Very low138 Ų138129.8 Ų129.874%0.73873%0.734SS**  cis-154.1170.640.4-76.5-66.3000108.8
722D34.3Very low36Very low140 Ų140128.2 Ų128.275%0.74974%0.737SS**  45136.570.3-97.8-149000114.1
723V36.5Very low35.9Very low111 Ų111124.7 Ų124.767%0.67373%0.733SS**  cis-152.8142.115.4-114.90000112.7
724E34.8Very low36Very low162 Ų162125.9 Ų125.976%0.75773%0.729SS**  66.8158.3124.7-141.4-164162.100124
725L40.2Very low35.3Very low139 Ų139128 Ų12873%0.72873%0.73SS**  trans87.6103.3159.2-54.6176.3000120.9
726G34Very low35.4Very low67 Ų67128.4 Ų128.469%0.69173%0.727SS**  trans139.4104.9160.100000112.9
727K39.1Very low35.5Very low171 Ų171131.8 Ų131.874%0.74372%0.724SS**  cis64.7117.349.3-53.1174.4-174.81700112
728D36.8Very low35.5Very low155 Ų155132 Ų13283%0.82972%0.721SS**  cis-148.2169.7-2.3-59.2-63.4000107
729G33.6Very low35.4Very low65 Ų65128.3 Ų128.367%0.6772%0.72SS**  cis118.584.34.400000113.3
730T33.3Very low35.3Very low141 Ų141132.9 Ų132.987%0.86573%0.731SS**  trans-173.8130.5155.2-790000113.1
731S36Very low35.4Very low110 Ų110129.6 Ų129.677%0.76973%0.728SS**  trans-128.6176.6148.9-47.70000105.6
732P50.9Low35.2Very low113 Ų113132 Ų13273%0.73474%0.735SS**  cis-137.4-136.57.743.6-23.4000112
733L27.4Very low35.3Very low139 Ų139133.9 Ų133.973%0.72874%0.739SS**  trans116.9116.7134.2-150.373.3000117.7
734I32.2Very low35.2Very low130 Ų130137.6 Ų137.667%0.66775%0.749SS**  trans48.7149.1138.2-53.8175.4000118
735E35Very low34.9Very low159 Ų159133.7 Ų133.774%0.74375%0.752SS**  cis-137160.728.1-119.8114.4174.100109.3
736E34Very low34.5Very low151 Ų151133 Ų13371%0.70676%0.758SS**  46.3141.278.8-57.3-154.7122.600116
737K34.8Very low34.2Very low131 Ų131137.1 Ų137.157%0.5777%0.769SS**  cis-162.8154.9-6.4-121178.3-179.6-73.60112.6
738E34.3Very low33.9Very low147 Ų147134.3 Ų134.369%0.68777%0.771SS**  trans13.4136.5143.3-65.7148.9-151.800124.1
739A34.1Very low33.6Very low92 Ų92131.9 Ų131.976%0.7677%0.766SS**  -166.4113129.100000108.2
740E32.1Very low33.3Very low187 Ų187139.7 Ų139.787%0.87478%0.775SS**  80.1136.377-81.6-171.8-168.400114.6
741A35.1Very low33.4Very low73 Ų73140.5 Ų140.560%0.60377%0.773SS**  cis-159.2158.4-3.500000113.1
742E31.1Very low34.1Very low189 Ų189140.6 Ų140.688%0.88377%0.772SS**  trans55.2163.2140.6-70.2167.8-169.600120.9
743E35.6Very low33.8Very low179 Ų179141.5 Ų141.584%0.83678%0.777SS**  cis-137.217612.2-151.7-161.9164.200112.3
744E33.9Very low33.7Very low190 Ų190142.2 Ų142.289%0.88878%0.781SS**  trans-80.7-172.9177.4-54.9-167.6129.200114
745G29.5Very low33.5Very low80 Ų80142.7 Ų142.783%0.82578%0.784SS**  trans158.487.1168.100000115.1
746C31.3Very low33.1Very low125 Ų125141.8 Ų141.885%0.84578%0.784SS**  trans-118.7128.3176.1178.30000111.5
747V28.5Very low33.3Very low152 Ų152140.1 Ų140.192%0.92179%0.786SS**  trans-160.4163.7160.7-97.80000110.8
748S31.5Very low32.8Very low112 Ų112141.3 Ų141.378%0.78379%0.793SS**  trans-144.9163.1-177.7-178.60000111.8
749S30.9Very low32.6Very low104 Ų104139.3 Ų139.373%0.72780%0.796SS**  trans100.2124159.4-49.70000121.4
750R28.1Very low32.4Very low230 Ų230146 Ų14687%0.86880%0.801SS**  trans53.4118.9139.5-76.8-178.2163.2-164.3-4.4123.6
751L34.8Very low32.3Very low157 Ų157142 Ų14282%0.82279%0.794SS**  28157.4115.9-56.9174.2000121.6
752P50.3Low31.9Very low113 Ų113145.7 Ų145.773%0.73481%0.809SS**  cis-125.4-164.6-29.740.1-22.1000111.4
753P44.7Very low31.6Very low131 Ų131141.9 Ų141.985%0.85180%0.803SS**  -156.7-154.887.943.7-21.3000116.4
754L26.3Very low31.3Very low155 Ų155138.9 Ų138.981%0.81280%0.801SS**  trans-112.4161.9-152.2-84.2168.3000117.8
755L27.2Very low31.2Very low140 Ų140134.7 Ų134.773%0.73379%0.792SS**  trans79.3122.9144.7-70.3155.8000124.7
756L27.4Very low31.3Very low140 Ų140136.9 Ų136.973%0.73379%0.785SS**  trans60.5169.3136.8-67.2174.7000120.8
757P37.1Very low31.3Very low115 Ų115138.7 Ų138.775%0.74778%0.781SS**  cis-122.4155.6-0.643.1-28.7000114.6
758E25.8Very low31.6Very low156 Ų156136.6 Ų136.673%0.72977%0.773SS**  8391.177.1-152.8-177.4122.500118.7
759S28.8Very low32.3Very low106 Ų106136.3 Ų136.374%0.74177%0.769SS**  66.9159.9127.3-48.80000126
760R31.4Very low32.2Very low232 Ų232138 Ų13888%0.87578%0.775SS**  trans86.7146.1156.3-77.7-175.7169.9140.2-1.6119.5
761S29.6Very low32.3Very low103 Ų103132.3 Ų132.372%0.7277%0.77SS**  cis-167.3151.3-1.6420000115.8
762V25.3Very low32.2Very low151 Ų151129.9 Ų129.992%0.91577%0.767SS**  trans-142171150.8-77.70000109.5
763S25.3Very low32.1Very low108 Ų108130.7 Ų130.776%0.75577%0.771SS**  trans-167.8157.8-176.3-171.90000115.1
764C30.1Very low31.3Very low117 Ų117129.8 Ų129.879%0.79177%0.768SS**  trans75.1138.3169.9-48.90000115.6
765S31.3Very low31.6Very low102 Ų102127.9 Ų127.971%0.71375%0.754SS**  cis-162.7-176.17.3-131.50000109.4
766D32Very low31.9Very low125 Ų125123.7 Ų123.767%0.66873%0.734SS**  cis-158.8-15012.1-142.4-82.7000113.8
767Q30.4Very low32.2Very low164 Ų164120.3 Ų120.377%0.76672%0.722SS**  trans-71.3133-171.4-7615883.800121.4
768S35Very low32Very low108 Ų108120.4 Ų120.476%0.75572%0.72SS**  50.2160.9114.6-50.20000123.9
769P45.4Very low32.7Very low106 Ų106119.3 Ų119.369%0.68872%0.719SS**  cis-138.9177.4-12.641.2-23.5000117.3
770T30.7Very low32.8Very low139 Ų139123.5 Ų123.585%0.85373%0.726SS**  trans61.1163.7157.852.10000119.5
771S29.7Very low33.6Very low110 Ų110118.7 Ų118.777%0.76972%0.717SS**  cis-168.1156.4-25.7174.10000108.7
772S32.2Very low33.8Very low107 Ų107122.5 Ų122.575%0.74872%0.723SS**  trans-67.2163170.6-39.80000112.8
773P48Very low34.3Very low129 Ų129122.7 Ų122.784%0.83872%0.718SS**  -149.7-166.877.442-22000116.5
774S28.5Very low34.6Very low112 Ų112121 Ų12178%0.78371%0.711SS**  trans-89.8-171.9-163.7-34.90000117.2
775K32.1Very low34.8Very low116 Ų116119 Ų11950%0.50470%0.698SS.*  trans95.9126.7162.5-56172.9176.4-83.70115.9E950K775-E950 HydrophobicContact CB-CB 4.36Å; K775-E950 WeakPolarHBondContact CD-OE1 3.46Å; K775-E950 WeakPolarHBondContact CD-OE2 3.48Å; K775-E950 WeakPolarHBondContact CE-OE2 2.96Å; K775-E950 WeakPolarHBondContact CG-OE1 3.34Å; K775-E950 IonicContact NZ-OE1 3.77Å; K775-E950 PolarHBondContact NZ-OE1 3.4Å; K775-E950 IonicContact NZ-OE2 2.63Å; K775-E950 PolarHBondContact NZ-OE2 3.08Å
776T33.4Very low35.2Very low52 Ų52118.7 Ų118.732%0.31969%0.694SS.*  trans-77.6-159.3-168.6-29.90000114.3T948 P949 E950 S951 A952T776-T948 WeakPolarHBondContact O-CB 3.4Å; T776-P949 CarbonylContact O-C 3.48Å; T776-P949 WeakPolarHBondContact O-CA 3.41Å; T776-E950 PolarHBondContact O-N 3.45Å; T776-S951 WeakPolarHBondContact OG1-CA 3.42Å; T776-A952 HydrophobicContact CG2-CB 4.22Å; T776-A952 WeakPolarHBondContact OG1-CB 3.2Å; T776-A952 PolarHBondContact OG1-N 3.34Å
777S33.8Very low35.2Very low69 Ų69119.4 Ų119.448%0.48370%0.702SS.*  trans-171.1161.2138-144.10000109.3P949S777-P949 WeakPolarHBondContact CB-O 3.48Å; S777-P949 PolarHBondContact OG-O 3Å
778T34Very low35.3Very low116 Ų116116.3 Ų116.371%0.71270%0.699SS**  trans-88.8138.6-169.1-60.70000113.8
779L39.9Very low35.3Very low133 Ų133119 Ų11970%0.69670%0.7SS**  trans25.2129.1161.9-63.4168.9000120.1
780H30.9Very low34.7Very low195 Ų195123.3 Ų123.390%0.90371%0.707SS**  -158.2154.5120.4-109.472.9000111.1
781I48.8Very low35.8Very low131 Ų131121.6 Ų121.667%0.67270%0.699SS**  trans-121.5134.5-169.7-61.4167.8000109.8
782H32.3Very low35.9Very low182 Ų182121.3 Ų121.384%0.84370%0.697SS**  trans170.9162.3131.7-97.5-74.2000112.1
783L37.5Very low35.9Very low155 Ų155121.8 Ų121.881%0.81270%0.7SS**  trans-91.9123.3-171.3-64.8156.3000112.5
784A31.1Very low35Very low74 Ų74122.9 Ų122.961%0.61270%0.698SS**  trans-163.7153.7159.500000112.6T942 A943A784-T942 CarbonylContact C-O 3.44Å; A784-T942 CarbonylContact O-C 3.43Å; A784-A943 PolarHBondContact O-N 2.75Å
785S33.3Very low35.2Very low74 Ų74123.7 Ų123.752%0.51769%0.693SS.*  trans-93.1155.1-172-80.30000114.9Q941 T942S785-Q941 PolarHBondContact OG-O 2.9Å; S785-T942 PolarHBondContact N-O 2.87Å; S785-T942 PolarHBondContact OG-O 2.79Å; S785-T942 VanDerWaalsContact OG-O 3.1Å; S785-T942 PolarHBondContact OG-OG1 2.87Å
786P41Very low35.3Very low96 Ų96125.4 Ų125.462%0.62370%0.703SS**  trans-92.4137.2-166.834.6-35.7000115.6
787T30.8Very low35.2Very low139 Ų139129.3 Ų129.385%0.85372%0.721SS**  trans-147.8121.1160.4550000113.9
788S32.9Very low35Very low99 Ų99132.1 Ų132.169%0.69274%0.735SS**  trans49.3141.4149.3-120.30000124.6
789E34.3Very low35.2Very low165 Ų165130.5 Ų130.577%0.77173%0.734SS**  trans62.491.6141.3-72.6162.1106.600122.7
790K33.8Very low34.7Very low196 Ų196130.5 Ų130.585%0.85274%0.739SS**  41.7135.794.3-165-179-172.1174.10118.2
791P52.7Low34.7Very low103 Ų103127.1 Ų127.167%0.66973%0.732SS**  cis-141.2-176-28.543.1-25.9000114.9
792S32.8Very low33.8Very low105 Ų105128.5 Ų128.573%0.73474%0.736SS**  trans75.6108.3147.3-61.10000122.2
793S32.4Very low34.4Very low116 Ų116125.2 Ų125.281%0.81173%0.731SS**  92.3135.3124.5-57.20000122.9
794L28.7Very low34.1Very low153 Ų153124.4 Ų124.480%0.80173%0.727SS**  trans102100.5135.2-14675.6000120.6
795L33.6Very low34.2Very low129 Ų129125.9 Ų125.968%0.67573%0.733SS**  trans57.7119.5138.6-60.5176.1000122.6
796Q32.4Very low35.2Very low152 Ų152128.3 Ų128.371%0.7175%0.747SS**  95.1124.2118.7-79178.9-14.400123.8
797L31.8Very low35Very low134 Ų134128.3 Ų128.370%0.70276%0.755SS**  79.2120129.7-68167.3000122.5
798T30.5Very low35Very low127 Ų127131 Ų13178%0.77976%0.757SS**  trans68.5147.8137.656.70000120.9
799A37.2Very low35.1Very low83 Ų83135.7 Ų135.769%0.68677%0.765SS**  cis-174.6173.9-1900000111.3
800V30.2Very low35.9Very low133 Ų133132.8 Ų132.881%0.80676%0.761SS**  trans85.3144143.1148.20000122
801T29.7Very low35.7Very low124 Ų124129.8 Ų129.876%0.76176%0.759SS**  trans78.4112.2165.427.40000122.9
802E31.1Very low34.5Very low159 Ų159132 Ų13274%0.74376%0.76SS**  7.1166.2113.6-91.8-161100.200121.8
803P44.8Very low34.5Very low114 Ų114135.2 Ų135.274%0.7476%0.761SS**  cis-139.9-178.418.239.5-18.7000119.2
804L31.7Very low34.4Very low138 Ų138135.2 Ų135.272%0.72375%0.753SS**  trans-29.1145.3166-64.6153.6000123
805S33.6Very low34.5Very low105 Ų105134.7 Ų134.773%0.73476%0.755SS**  57.1-175.7129.985.50000120.3
806P53Low34.5Very low125 Ų125133.7 Ų133.781%0.81276%0.755SS**  cis-129.7-159.4-7.741.6-22.5000114.9
807A36.7Very low34.6Very low96 Ų96135 Ų13579%0.79376%0.761SS**  trans-119.8166.7-178.900000113.4
808E31.6Very low34.7Very low195 Ų195137.2 Ų137.291%0.91176%0.76SS**  trans-160.1160.6170.5-121.7168.7-166.300114.8
809K33.9Very low35Very low197 Ų197139.3 Ų139.386%0.85777%0.765SS**  trans-123.6-167.3168.9-58.8-177.4177.8177.60107.6
810P52.8Low34.8Very low104 Ų104141.9 Ų141.968%0.67576%0.762SS**  cis-137-179.4-10.642.9-25.6000116.3
811T27.7Very low34.9Very low133 Ų133138.6 Ų138.682%0.81676%0.755SS**  trans68.4171.1164.457.10000117
812E28.3Very low35Very low149 Ų149139 Ų13970%0.69676%0.757SS**  cis-156.4176.916.3-148.5-102.4-72.100113.3
813F33.2Very low35Very low173 Ų173138.2 Ų138.276%0.75975%0.751SS**  trans94.5160.8160.7-138.3-103.1000121.1
814N29.5Very low34.4Very low117 Ų117139 Ų13963%0.62674%0.743SS**  trans-111147.2-152.8-68.7-107.2000115.1
815V32Very low34.4Very low142 Ų142138.2 Ų138.286%0.86175%0.746SS**  trans164.9147.1144.61440000109.9
816T32.5Very low34.4Very low108 Ų108137.8 Ų137.866%0.66373%0.733SS**  cis-168.7139.8-32.7-76.10000107.6
817E34.8Very low33.4Very low179 Ų179139.4 Ų139.484%0.83673%0.729SS**  trans63.9112.1-179.1-85168.5117.700114.9
818R34.2Very low33.1Very low181 Ų181142.9 Ų142.968%0.68373%0.729SS**  cis8812640.3-175.1179.7-81.2-164.5-17.8111.1E820R818-E820 HydrophobicContact CG-CB 4.38Å; R818-E820 IonicContact CZ-OE1 2.8Å; R818-E820 IonicContact CZ-OE2 2.73Å; R818-E820 VanDerWaalsContact CZ-OE2 3.24Å; R818-E820 IonicContact NE-OE1 2.71Å; R818-E820 IonicContact NE-OE2 2.68Å; R818-E820 PolarHBondContact NE-OE2 2.82Å; R818-E820 VanDerWaalsContact NH2-CD 3.26Å; R818-E820 IonicContact NH2-OE1 3.03Å; R818-E820 PolarHBondContact NH2-OE1 3.21Å; R818-E820 IonicContact NH2-OE2 3.56Å; R818-E820 PolarHBondContact NH2-OE2 2.94Å
819I36.3Very low33Very low171 Ų171140.8 Ų140.888%0.87772%0.719SS**  cis-82.617939.7-68.7175.3000116
820E33.6Very low33Very low136 Ų136138.3 Ų138.364%0.63671%0.711SS**  trans-15219.2-141.6-149.3159.188.300117.1R818R818-E820 HydrophobicContact CG-CB 4.38Å; R818-E820 IonicContact CZ-OE1 2.8Å; R818-E820 IonicContact CZ-OE2 2.73Å; R818-E820 VanDerWaalsContact CZ-OE2 3.24Å; R818-E820 IonicContact NE-OE1 2.71Å; R818-E820 IonicContact NE-OE2 2.68Å; R818-E820 PolarHBondContact NE-OE2 2.82Å; R818-E820 VanDerWaalsContact NH2-CD 3.26Å; R818-E820 IonicContact NH2-OE1 3.03Å; R818-E820 PolarHBondContact NH2-OE1 3.21Å; R818-E820 IonicContact NH2-OE2 3.56Å; R818-E820 PolarHBondContact NH2-OE2 2.94Å
821G31.7Very low32.1Very low64 Ų64140.6 Ų140.666%0.6671%0.712SS**  trans172.8176.1-179.900000117.2
822V31.7Very low32.5Very low132 Ų132141.3 Ų141.380%0.871%0.707SS**  cis-161.3130.76.9113.80000108.9
823K32.3Very low32.8Very low143 Ų143139 Ų13962%0.62270%0.696SS**  56.3117.989.1-138-166.3-179.1-151.50113.2E826K823-E826 IonicContact NZ-OE1 3.47Å; K823-E826 PolarHBondContact NZ-OE1 2.65Å
824K31.9Very low32.9Very low132 Ų132134.6 Ų134.657%0.57468%0.678SS**  170.2160.394.2-90.6-169.1-167.2-169.60108E826K824-E826 HydrophobicContact CD-CB 4.33Å; K824-E826 HydrophobicContact CD-CG 4.19Å; K824-E826 WeakPolarHBondContact CE-OE1 3.39Å; K824-E826 WeakPolarHBondContact CE-OE2 3.48Å; K824-E826 IonicContact NZ-OE1 3.27Å; K824-E826 PolarHBondContact NZ-OE1 3.04Å; K824-E826 VanDerWaalsContact NZ-OE1 3.07Å; K824-E826 IonicContact NZ-OE2 2.72Å; K824-E826 PolarHBondContact NZ-OE2 3.48Å
825P31.7Very low33Very low120 Ų120134.3 Ų134.378%0.77967%0.673SS**  -82.1155.656.823.3-34.5000116.2
826E32.3Very low33Very low96 Ų96132.2 Ų132.245%0.44965%0.653SS.*  trans-98.3124.5132.4-87.4153-153.700103K823 K824K823-E826 IonicContact NZ-OE1 3.47Å; K823-E826 PolarHBondContact NZ-OE1 2.65Å; K824-E826 HydrophobicContact CD-CB 4.33Å; K824-E826 HydrophobicContact CD-CG 4.19Å; K824-E826 WeakPolarHBondContact CE-OE1 3.39Å; K824-E826 WeakPolarHBondContact CE-OE2 3.48Å; K824-E826 IonicContact NZ-OE1 3.27Å; K824-E826 PolarHBondContact NZ-OE1 3.04Å; K824-E826 VanDerWaalsContact NZ-OE1 3.07Å; K824-E826 IonicContact NZ-OE2 2.72Å; K824-E826 PolarHBondContact NZ-OE2 3.48Å
827E32.4Very low32.9Very low159 Ų159133.2 Ų133.274%0.74365%0.649SS**  68.9130.175.8-75.9-179.6148.600111.7
828E30.7Very low32.7Very low169 Ų169132.5 Ų132.579%0.7965%0.645SS**  trans69.8130.7171.9-63.4163.4-168.500114.7
829E30.5Very low32.4Very low151 Ų151129.4 Ų129.471%0.70665%0.651SS**  cis-164-177.8-3.3-134.7161.7-173.900111.1
830E33.7Very low32.1Very low146 Ų146125.4 Ų125.468%0.68264%0.644SS**  trans73.4129.7156.2-70.7162.4175.200120
831E33.3Very low32.4Very low151 Ų151124.7 Ų124.771%0.70665%0.651SS**  58.7144.3124.5-61167.6-177.100119.5
832E36.4Very low32.2Very low148 Ų148129.1 Ų129.169%0.69266%0.655SS**  cis-161.2-165.82-127.9166.7-173.800111.4
833E34.5Very low32.7Very low100 Ų100128.8 Ų128.847%0.46766%0.655SS.*  trans-5155.9138-66.8-171.3176.600119.3E601 K602E601-E833 VanDerWaalsContact C-OE2 3.31Å; K602-E833 PolarHBondContact N-OE2 2.89Å
834E35.2Very low32.6Very low82 Ų82124.8 Ų124.838%0.38366%0.655SS.*  cis-166.7179.64.9-128.3-165.5-159.100113.8K602 C603K602-E834 VanDerWaalsContact C-OE2 3.29Å; K602-E834 VanDerWaalsContact CA-CD 3.47Å; K602-E834 WeakPolarHBondContact CA-OE2 3.44Å; K602-E834 VanDerWaalsContact N-CD 3.29Å; K602-E834 PolarHBondContact N-OE1 3.45Å; K602-E834 PolarHBondContact N-OE2 3.23Å; C603-E834 PolarHBondContact N-OE2 3.2Å
835E31.8Very low32.4Very low111 Ų111126 Ų12652%0.51967%0.667SS.*  -0.8157.6120.9-75.3-142.7157.100119.3C603 Q604C603-E835 WeakPolarHBondContact CA-O 3.46Å; Q604-E835 PolarHBondContact N-O 3.47Å
836E31.2Very low32.4Very low98 Ų98125.3 Ų125.346%0.45867%0.665SS.*  cis-169.4-175.2-10.5-124.2-161.415100112.8
837K29.9Very low32.6Very low129 Ų129125.5 Ų125.556%0.56168%0.677SS**  trans34.2117.2142-72-177.7-171.6110.60120.5
838Q30.8Very low32.6Very low164 Ų164120.5 Ų120.577%0.76667%0.668SS**  46.7123110.2-54.3162.61.400119.3
839S29.3Very low32.7Very low116 Ų116120.6 Ų120.681%0.81167%0.669SS**  -140.6132.3124.2-81.70000108.7
840A29.9Very low32.7Very low87 Ų87120.5 Ų120.572%0.71967%0.668SS**  71.3144.251.500000111.5
841P38.8Very low32.3Very low121 Ų121118.5 Ų118.579%0.78667%0.671SS**  cis-129.8159.125.242.3-27.8000118.1
842E28.3Very low32.7Very low157 Ų157116.4 Ų116.473%0.73467%0.67SS**  trans-32.7162.1140.6-84-69.2114.600114.2G844E842-G844 PolarHBondContact OE2-N 3.28Å
843P42.3Very low32.3Very low124 Ų124114.5 Ų114.581%0.80567%0.673SS**  cis-143.6165.932.740.8-21.7000119.5
844G28.6Very low32Very low60 Ų60116 Ų11662%0.61969%0.689SS**  trans134.487.1130.700000120.2E842E842-G844 PolarHBondContact OE2-N 3.28Å
845D29Very low32.7Very low157 Ų157117.2 Ų117.284%0.8470%0.704SS**  65148129.1-142-14.8000122.4
846S32.3Very low32.6Very low106 Ų106117.4 Ų117.474%0.74171%0.713SS**  trans75135.3164.1750000121.1
847S35.1Very low33Very low99 Ų99119.4 Ų119.469%0.69273%0.727SS**  trans-75.9166.8-17043.20000117.4L286L286-S847 WeakPolarHBondContact CD1-O 3.24Å
848G33.1Very low33.3Very low54 Ų54121.4 Ų121.456%0.55774%0.738SS**  trans14177.9146.100000121.3
849Q31.9Very low33.5Very low171 Ų171118.6 Ų118.680%0.79974%0.736SS**  trans57.5137.6139.3-159.5166.7-30.800123.3
850E30.3Very low33.9Very low150 Ų150122 Ų12270%0.70174%0.737SS**  trans44109.9158.6-73.8177.296.800123.4
851S26.1Very low34.6Very low104 Ų104123.3 Ų123.373%0.72774%0.735SS**  49.3161.7122.393.20000123
852P41.1Very low34.7Very low107 Ų107128.7 Ų128.770%0.69574%0.74SS**  cis-135.8156.8-18.636.7-18.6000116.5
853S28.3Very low35.2Very low107 Ų107130.1 Ų130.175%0.74874%0.744SS**  trans65.6145.6141.3-62.30000125.2
854T29.6Very low35.3Very low132 Ų132129.8 Ų129.881%0.8174%0.74SS**  trans95.1161153.7790000118.3
855P48Very low36.5Very low108 Ų108133 Ų13370%0.70175%0.748SS**  cis-131-164.1-9.428.8-5.1000114.7
856T30.6Very low37.6Very low115 Ų115127.6 Ų127.671%0.70672%0.724SS**  trans75.396.6152.8-50.20000117.1
857D39.2Very low38.5Very low139 Ų139127.1 Ų127.174%0.74372%0.719SS**  55110.367.8-171.326.9000116.4
858Q36Very low39.2Very low172 Ų172126.2 Ų126.280%0.80472%0.717SS**  trans-165.697135-115.4175.4111.300114.9
859S35.5Very low40.2Very low104 Ų104135.4 Ų135.473%0.72774%0.735SS**  trans63.8162.3153.288.60000117.6
860K38.8Very low41.4Very low189 Ų189135.1 Ų135.182%0.82273%0.734SS**  cis-152.7171.60.6-157.7170.3177.8177.60108.7
861V43.7Very low42.3Very low113 Ų113137.7 Ų137.769%0.68574%0.737SS**  trans81.6113.4179.8-1710000114.2F863V861-F863 HydrophobicContact CG1-CD2 3.64Å; V861-F863 HydrophobicContact CG1-CE2 3.72Å
862R40.5Very low43.3Very low235 Ų235140.4 Ų140.489%0.88774%0.743SS**  trans-115.690.9170.1-80.9-172168.8-153.6-2.6110.3T864R862-T864 VanDerWaalsContact C-N 3.32Å; R862-T864 PolarHBondContact O-N 3.11Å; R862-T864 PolarHBondContact O-OG1 2.72Å
863F39Very low43.5Very low186 Ų186144 Ų14482%0.81675%0.75SS**  trans-68.193163.2-84.7-75.9000109.5V861 V865V861-F863 HydrophobicContact CG1-CD2 3.64Å; V861-F863 HydrophobicContact CG1-CE2 3.72Å; F863-V865 PolarHBondContact O-N 2.8Å; F863-V865 VanDerWaalsContact O-N 3.12Å
864T45.2Very low43.8Very low117 Ų117146.5 Ų146.572%0.71876%0.755SS**  trans-83.289.5180-53.50000109.1R862 A866R862-T864 VanDerWaalsContact C-N 3.32Å; R862-T864 PolarHBondContact O-N 3.11Å; R862-T864 PolarHBondContact O-OG1 2.72Å; T864-A866 VanDerWaalsContact C-N 3.26Å; T864-A866 PolarHBondContact O-N 3.06Å
865V53.4Low44.4Very low129 Ų129149.3 Ų149.378%0.78276%0.759SS**  trans-72.184.4172.8-175.40000109F863F863-V865 PolarHBondContact O-N 2.8Å; F863-V865 VanDerWaalsContact O-N 3.12Å
866A51.1Low44.1Very low42 Ų42149.7 Ų149.735%0.34776%0.761SS.*  trans-62.3136.5172.200000110.2T864 A868T864-A866 VanDerWaalsContact C-N 3.26Å; T864-A866 PolarHBondContact O-N 3.06Å; A866-A868 PolarHBondContact O-N 3.27Å
867P52.6Low44.1Very low96 Ų96150.6 Ų150.662%0.62377%0.767SS**  trans-52.7136179.9-29.135.8000112.9W869 Q870P867-W869 PolarHBondContact O-N 2.76Å; P867-Q870 PolarHBondContact O-N 3.46Å
868A49.8Very low44.1Very low80 Ų80149.1 Ų149.166%0.66177%0.767SS**G310 helixtrans-55.3-22.1-166.400000115.5A866 Q870 R871A866-A868 PolarHBondContact O-N 3.27Å; A868-Q870 PolarHBondContact O-N 2.81Å; A868-Q870 VanDerWaalsContact O-N 3.17Å; A868-R871 PolarHBondContact O-N 2.81Å
869W54.5Low44.3Very low248 Ų248146.9 Ų146.994%0.93977%0.768SS**G310 helixtrans-71.2-3.4-175.8-5779.8000114.9P867P867-W869 PolarHBondContact O-N 2.76Å
870Q55.8Low44Very low165 Ų165146.4 Ų146.477%0.77177%0.765SS**G310 helixtrans-99.6-6176.5-88.9-173.4-15.500115.8P867 A868 L872P867-Q870 PolarHBondContact O-N 3.46Å; A868-Q870 PolarHBondContact O-N 2.81Å; A868-Q870 VanDerWaalsContact O-N 3.17Å; Q870-L872 VanDerWaalsContact C-N 3.32Å; Q870-L872 PolarHBondContact O-N 3.41Å
871R49.2Very low43.6Very low203 Ų203144.4 Ų144.477%0.76676%0.763SS**  trans-8943.8-177.5-64.5-173-175.8157.31.3114.4A868A868-R871 PolarHBondContact O-N 2.81Å
872L48.3Very low43Very low162 Ų162143.5 Ų143.585%0.84877%0.767SS**  trans-132.824.3-174.5-107170.1000116.3Q870Q870-L872 VanDerWaalsContact C-N 3.32Å; Q870-L872 PolarHBondContact O-N 3.41Å
873Q43.8Very low43.2Very low182 Ų182138 Ų13885%0.8576%0.761SS**  trans-141106.4157.2-68.1-169.411.900110.7
874N35.7Very low42.7Very low159 Ų159133.6 Ų133.685%0.8576%0.76SS**  trans172128.8142.5-89.1-13.4000109.4
875H42.2Very low41.7Very low191 Ų191135.1 Ų135.188%0.88476%0.763SS**  trans-111149.3171.2-52.1-86.4000109.6
876P41.3Very low40.5Very low117 Ų117138.5 Ų138.576%0.7676%0.762SS**  trans-122.2114.8147.927.7-12.6000111.8
877T31.6Very low39.3Very low134 Ų134142.5 Ų142.582%0.82278%0.777SS**  trans30119.9142.652.60000120.4
878S37.3Very low38.1Very low107 Ų107142.8 Ų142.875%0.74878%0.781SS**  trans-79.5167.1155.1105.60000111.4
879P41.3Very low37.1Very low126 Ų126149.1 Ų149.182%0.81879%0.788SS**  trans-107175.5140.635.2-29.9000111.3
880S28.7Very low35.9Very low94 Ų94141.3 Ų141.366%0.65778%0.777SS**  trans-133.7176.1-174.7-163.90000111.1
881D30.6Very low34.6Very low147 Ų147140.4 Ų140.479%0.78677%0.773SS**  trans77.8113.3155.3-51.3-24000119.2
882A30.9Very low33.7Very low93 Ų93136.8 Ų136.877%0.76977%0.772SS**  trans-87163.714600000108.2
883P44.2Very low32.9Very low119 Ų119136.6 Ų136.677%0.77377%0.767SS**  -151.7156.257.540.1-19.3000119.2
884A29.2Very low32.4Very low94 Ų94133.9 Ų133.978%0.77776%0.764SS**  trans37.9122.3141.100000122.5
885L24.7Very low32.3Very low149 Ų149131 Ų13178%0.7876%0.761SS**  trans-154.5159.9134-144.668.5000113.6
886W27.3Very low31.7Very low201 Ų201127.7 Ų127.776%0.76175%0.75SS**  trans-74.8165.5163.242.8-71.2000109.2
887D25.9Very low31.3Very low125 Ų125132.2 Ų132.267%0.66875%0.752SS**  cis-159.5172.430.4-158.2-6.2000113.2
888S29Very low31.4Very low103 Ų103133.8 Ų133.872%0.7275%0.748SS**  trans-40.5148.9168.3-39.20000117.5
889R27.5Very low31Very low212 Ų212134.6 Ų134.680%0.874%0.74SS**  -169.8149111.8-159.9163.8-175.4-79-3.6112.5E891R889-E891 IonicContact CZ-OE1 3.24Å; R889-E891 IonicContact NH1-OE1 2.71Å; R889-E891 PolarHBondContact NH1-OE1 3.38Å; R889-E891 IonicContact NH2-OE1 2.94Å
890A29.3Very low30.8Very low85 Ų85137.6 Ų137.670%0.70274%0.735SS**  trans-116.6162.2179.600000113.9
891E28.9Very low30.8Very low146 Ų146139.1 Ų139.168%0.68274%0.736SS**  trans-160.7123.7158.6-107.5154.9-137.300106.8R889R889-E891 IonicContact CZ-OE1 3.24Å; R889-E891 IonicContact NH1-OE1 2.71Å; R889-E891 PolarHBondContact NH1-OE1 3.38Å; R889-E891 IonicContact NH2-OE1 2.94Å
892V30.9Very low30.9Very low126 Ų126138 Ų13876%0.76473%0.734SS**  78.9131.686.5153.70000113
893E29.8Very low30.8Very low158 Ų158142.5 Ų142.574%0.73874%0.736SS**  cis-171.7179.1-8.1-171.7-177.1129.500109.3
894T33.3Very low30.2Very low126 Ų126140.9 Ų140.977%0.77373%0.733SS**  trans93.6143.3161.173.30000118.1
895A33.8Very low30.1Very low97 Ų97144.6 Ų144.680%0.80273%0.734SS**  cis-175.9158.4-1900000108.1
896D30.9Very low31.3Very low123 Ų123142.9 Ų142.966%0.65873%0.732SS**  cis-152.3162.32.3170.7-143.8000108
897R31.3Very low31.3Very low211 Ų211136.7 Ų136.780%0.79673%0.731SS**  trans79.1145.9169.7-70.1147.6-165.5-141.2-5.9119.2
898K34Very low31.6Very low167 Ų167136.7 Ų136.773%0.72674%0.74SS**  cis-147.7130.49.9-150.9176.3173.6-174.20115
899E30.2Very low32.8Very low125 Ų125137.3 Ų137.358%0.58474%0.742SS**  trans22.8141.7145.1-51.7177.2-91.900120.6
900R37.5Very low33.1Very low188 Ų188131.2 Ų131.271%0.70974%0.737SS**  cis-177.5144.7-3.3170.9-176.7-70.7102.93.4104.9
901N28.4Very low33.2Very low127 Ų127136.3 Ų136.368%0.67975%0.746SS**  164.5125.296.8-16234.9000113.8
902V31.9Very low33.3Very low123 Ų123133.3 Ų133.375%0.74575%0.746SS**  trans57.9131.5138.7156.10000119.8
903K29.3Very low33.4Very low187 Ų187131.9 Ų131.981%0.81375%0.748SS**  cis-178132.39.2170.171.6170.3-178.50115.3
904A31.8Very low34.5Very low86 Ų86130.2 Ų130.271%0.71175%0.75SS**  trans76.8126.2146.300000124.6
905E25.4Very low34.3Very low172 Ų172129.5 Ų129.580%0.80475%0.751SS**  trans-74-167.9150.9-132.4-13412200110.9
906P51Low35.3Very low113 Ų113130.4 Ų130.473%0.73475%0.749SS**  cis-138.1-179.53.544.1-26.6000117.9
907G27.9Very low35.2Very low71 Ų71129.6 Ų129.673%0.73275%0.748SS**  trans159.9111.1152.900000120.2
908S32.5Very low35.3Very low124 Ų124131.1 Ų131.187%0.86775%0.753SS**  trans-125.6-172.2163.9-136.50000109
909P52.9Low35Very low116 Ų116126.4 Ų126.475%0.75375%0.752SS**  cis-149.5-159.123.545.7-23.1000117.5
910A34Very low35.1Very low84 Ų84132.1 Ų132.169%0.69477%0.768SS**  trans83.5119.7154.700000119.3
911E32.3Very low34.7Very low192 Ų192128 Ų12890%0.89777%0.769SS**  86.1144.671.2-112.5-166.511200113.8
912A29.4Very low34.8Very low84 Ų84127.7 Ų127.769%0.69478%0.776SS**  cis-152.9-179.27.500000112.9
913A33.8Very low34.7Very low96 Ų96125.9 Ų125.979%0.79378%0.783SS**  trans-99.3-164.8179.800000112
914P52.5Low34.7Very low122 Ų122121.4 Ų121.479%0.79278%0.775SS**  cis-140.5-1689.143.6-21.6000117.9
915S30Very low34.7Very low111 Ų111126.1 Ų126.178%0.77678%0.78SS**  trans-83.3-152.1-171.7-350000114.6
916P53.8Low35Very low117 Ų117123.4 Ų123.476%0.7678%0.775SS**  cis-143.6-168.5-7.725.72.2000117.8
917V30.1Very low34.1Very low105 Ų105123.3 Ų123.364%0.63678%0.777SS**  trans114.6110.6140.6-170.60000120.5
918R31.6Very low34.5Very low243 Ų243129.3 Ų129.392%0.91778%0.783SS**  trans58.6151.3153.3-63.9168.1-143.2-90.9-3.1120.1
919G28.7Very low35.1Very low68 Ų68128.8 Ų128.870%0.70178%0.777SS**  cis154.7167.1-11.500000115.9
920R32.9Very low34.3Very low245 Ų245132 Ų13293%0.92578%0.782SS**  trans79.6133.6173.9-55.3-172.378.2-162.74.7119.7
921S28.8Very low34.6Very low103 Ų103131.2 Ų131.272%0.7277%0.771SS**  trans84.3134144.1-126.70000122
922S29.2Very low34.6Very low120 Ų120132.7 Ų132.784%0.83977%0.77SS**  trans47.5115.9140.4-47.30000120.6
923G30.7Very low34.9Very low85 Ų85133.3 Ų133.388%0.87678%0.775SS**  trans-160.3130.4161.800000111.3
924S29.1Very low35.2Very low93 Ų93133.4 Ų133.465%0.6578%0.776SS**  trans-112.1177173.4-175.70000109.5
925F31.1Very low34.3Very low185 Ų185133.8 Ų133.881%0.81178%0.782SS**  trans72.3155.2169-58-68.8000115.8
926T31.8Very low34.8Very low114 Ų114133 Ų13370%0.69978%0.781SS**  cis-157.4154.10.7-2.10000112.3
927S32.3Very low34.9Very low112 Ų112132.9 Ų132.978%0.78378%0.781SS**  trans53.3143135.5-58.70000127
928K37.7Very low35.2Very low196 Ų196132.9 Ų132.985%0.85279%0.785SS**  trans-44161.9153.5-93.3175.9175.3176.50115.7
929P44.1Very low35.3Very low114 Ų114128.8 Ų128.874%0.7478%0.777SS**  -126.2170.767.19.216.6000114.9
930Q37.3Very low35.8Very low183 Ų183129.2 Ų129.286%0.85577%0.773SS**  66.5145.257.3-106.9-174-3900113.9
931S39.8Very low36.1Very low67 Ų67123.9 Ų123.947%0.46976%0.759SS.*  cis-166.8-163.61247.80000112.5
932Y30.8Very low36.4Very low223 Ų223122.3 Ų122.388%0.87575%0.745SS**  trans86.9147.9166.2-51.6-67.5000118.1
933A37.7Very low36.7Very low98 Ų98119.1 Ų119.181%0.8173%0.726SS**  cis-166.2174.7-16.600000110.9
934A38.3Very low37.9Very low98 Ų98120.1 Ų120.181%0.8172%0.717SS**  trans-151.4174.7-178.500000114.3
935S35.3Very low39.2Very low130 Ų130121.7 Ų121.791%0.90973%0.725SS**  trans-162159.8175.3-75.60000114.5
936A39.1Very low39.2Very low93 Ų93116.3 Ų116.377%0.76972%0.722SS**  trans-118.8-173.3-179.400000112.4
937P56.6Low39.2Very low115 Ų115122.9 Ų122.975%0.74773%0.734SS**  -158.4164.297.941.6-23.2000118.9
938S35.7Very low39.7Very low105 Ų105122.3 Ų122.373%0.73473%0.726SS**  trans48.8150.2145.859.80000122.4
939E34.8Very low40Very low158 Ų158117 Ų11774%0.73871%0.711SS**  cis179.3172-16.2-102.1-149.484.100105.6Q941E939-Q941 PolarHBondContact OE1-NE2 3.1Å
940A38.8Very low39.5Very low76 Ų76116.3 Ų116.363%0.62870%0.698SS**  cis-176.3-156.5-26.100000105.8
941Q39.1Very low39.5Very low133 Ų133110.8 Ų110.862%0.62168%0.68SS**  cis-164.7133.6-0.4-146.6174.395.900109.2S785 E939S785-Q941 PolarHBondContact OG-O 2.9Å; E939-Q941 PolarHBondContact OE1-NE2 3.1Å
942T35.4Very low39.6Very low70 Ų70111.5 Ų111.543%0.42969%0.69SS.*  trans52.5163.3159.845.30000121.6A784 S785A784-T942 CarbonylContact C-O 3.44Å; A784-T942 CarbonylContact O-C 3.43Å; S785-T942 PolarHBondContact N-O 2.87Å; S785-T942 PolarHBondContact OG-O 2.79Å; S785-T942 VanDerWaalsContact OG-O 3.1Å; S785-T942 PolarHBondContact OG-OG1 2.87Å
943A35.7Very low39.6Very low54 Ų54105.6 Ų105.645%0.44669%0.687SS.*  cis-160.7-132.7-33.700000112.9A784A784-A943 PolarHBondContact O-N 2.75Å
944P54.8Low39.7Very low105 Ų105107.2 Ų107.268%0.68269%0.687SS**  trans-129-146.8-156.544.7-20.6000113.5
945P57.4Low39.6Very low127 Ų127107.6 Ų107.683%0.82569%0.69SS**  cis-138.9-179.3-16.642.6-25.2000116.9
946G30.1Very low39.7Very low72 Ų72110.3 Ų110.374%0.74269%0.688SS**  124.273.6122.700000125
947R32.8Very low39.7Very low252 Ų252110 Ų11095%0.95169%0.686SS**  trans-178.5158.2134.4-107.5-176.9174.1-142-5112.9
948T43.2Very low38.5Very low100 Ų100112.1 Ų112.161%0.61369%0.691SS**  trans-130.1165.9-175.8570000111.9T776T776-T948 WeakPolarHBondContact O-CB 3.4Å
949P42.7Very low39.1Very low84 Ų84112.3 Ų112.355%0.54569%0.689SS.*  -153.4173.983.942.1-22.8000118.3T776 S777T776-P949 CarbonylContact O-C 3.48Å; T776-P949 WeakPolarHBondContact O-CA 3.41Å; S777-P949 WeakPolarHBondContact CB-O 3.48Å; S777-P949 PolarHBondContact OG-O 3Å
950E34.5Very low39.1Very low99 Ų99111.3 Ų111.346%0.46369%0.689SS.*  trans61.8137.4156.6-160.794-105.400120.2K775 T776K775-E950 HydrophobicContact CB-CB 4.36Å; K775-E950 WeakPolarHBondContact CD-OE1 3.46Å; K775-E950 WeakPolarHBondContact CD-OE2 3.48Å; K775-E950 WeakPolarHBondContact CE-OE2 2.96Å; K775-E950 WeakPolarHBondContact CG-OE1 3.34Å; K775-E950 IonicContact NZ-OE1 3.77Å; K775-E950 PolarHBondContact NZ-OE1 3.4Å; K775-E950 IonicContact NZ-OE2 2.63Å; K775-E950 PolarHBondContact NZ-OE2 3.08Å; T776-E950 PolarHBondContact O-N 3.45Å
951S37.9Very low39.2Very low67 Ų67113 Ų11347%0.46970%0.696SS.*  cis-151.6162.7-36.4-89.50000108.3T776T776-S951 WeakPolarHBondContact OG1-CA 3.42Å
952A40.7Very low40.4Very low83 Ų83110.8 Ų110.869%0.68669%0.694SS**  trans-130.7164-165.200000116.1T776T776-A952 HydrophobicContact CG2-CB 4.22Å; T776-A952 WeakPolarHBondContact OG1-CB 3.2Å; T776-A952 PolarHBondContact OG1-N 3.34Å
953A30.6Very low40.5Very low98 Ų98117.6 Ų117.681%0.8172%0.718SS**  trans-136135170.600000111
954V40.7Very low40.7Very low133 Ų133118.4 Ų118.481%0.80673%0.731SS**  trans-152.8136.4173173.90000109.3
955A36.8Very low40.4Very low105 Ų105118.7 Ų118.787%0.86873%0.731SS**  trans-152.5100.1154.800000109.2
956E35.6Very low39.9Very low188 Ų188122.8 Ų122.888%0.87973%0.729SS**  trans-84.1166.3-178.4-156.3178.4132.100112
957A39.6Very low40.5Very low87 Ų87126.6 Ų126.672%0.71973%0.732SS**  trans-78.6170.3-172.800000114.7
958N32.5Very low41.2Very low159 Ų159125.8 Ų125.885%0.8573%0.729SS**  trans-158.3163.8159.4-117-25.9000110.3
959P48.5Very low41.1Very low108 Ų108130.4 Ų130.470%0.70174%0.74SS**  -137.1-173.6-114.142.6-23.8000115.5
960D34.6Very low40.8Very low137 Ų137131.8 Ų131.873%0.73375%0.748SS**  trans35.4120.5151-160.77.5000120.1
961S41.3Very low40.7Very low112 Ų112132.3 Ų132.378%0.78376%0.762SS**  trans-119.2103.5165.2-168.70000109.4F963S961-F963 PolarHBondContact O-N 3.07Å
962P63.5Low40.5Very low87 Ų87133.4 Ų133.457%0.56578%0.776SS**  trans-78.2124.7-166.729-35.4000112.8
963F37Very low40.1Very low213 Ų213137 Ų13793%0.93478%0.782SS**SBendtrans63.377.7170.6-48.9-78.3000117.2S961S961-F963 PolarHBondContact O-N 3.07Å
964G40.5Very low40.5Very low70 Ų70139.3 Ų139.372%0.72278%0.78SS**  trans-124.7-24.4-173.400000120.9
965V47.5Very low40.2Very low112 Ų112143.1 Ų143.168%0.67978%0.78SS**  trans60.691.3171.6-172.50000118.1
966R46.6Very low40.1Very low212 Ų212146.1 Ų146.180%0.878%0.78SS**  trans70.8170.4146.8-49.9-177.4-41.4-142.37.8116.2
967L43.1Very low39.9Very low152 Ų152140.2 Ų140.280%0.79677%0.771SS**  cis-136159.616.5-73.4158.2000112.6
968R47.1Very low39.6Very low235 Ų235141.6 Ų141.689%0.88778%0.775SS**  trans-88.9174172-47.4-176.8-159.5153.22.5112.7
969K42.7Very low39.6Very low197 Ų197141.6 Ų141.686%0.85777%0.77SS**  trans74.8149162.9-70.6175.863.4164.10115.8
970T36.3Very low39.1Very low114 Ų114144.1 Ų144.170%0.69977%0.772SS**  cis-134.8145.912.746.40000115
971S32.8Very low38.9Very low110 Ų110142.3 Ų142.377%0.76977%0.766SS**  trans-15.6148.5150.557.50000121.1
972A32Very low38.4Very low90 Ų90140.1 Ų140.174%0.74474%0.743SS**  148.3109.910300000116.3
973L34.2Very low37.1Very low159 Ų159138.5 Ų138.583%0.83273%0.734SS**  trans-168.5118.3148.1-148.269000107
974L37.4Very low36.8Very low145 Ų145133.7 Ų133.776%0.75971%0.714SS**  70.38157.7-74.7176.9000116.6
975R35.5Very low37.1Very low214 Ų214133 Ų13381%0.80870%0.697SS**  trans172.6136.2136.6-93.9167.9166.978.46.3107.9
976L33.4Very low36.3Very low167 Ų167135.2 Ų135.287%0.87470%0.7SS**  69.2122.555.4-62.5173.4000113
977G32.2Very low35.5Very low65 Ų65131 Ų13167%0.6770%0.698SS**  trans109.4131.8-165.900000109.9
978S33.6Very low34.8Very low115 Ų115132.4 Ų132.480%0.80470%0.7SS**  cis63.6131.828.1-42.60000111.8
979E32.3Very low34Very low160 Ų160126.3 Ų126.375%0.74869%0.694SS**  cis-175.11524.516317478.400108.7
980E37.2Very low34.2Very low160 Ų160122.4 Ų122.475%0.74869%0.688SS**  trans52.3138166.1-69.9176.213000119.8
981V31.6Very low33.9Very low99 Ų99123.1 Ų123.160%0.669%0.693SS**  68.2101.257.5176.20000110.9
982E30.8Very low33.7Very low66 Ų66126.3 Ų126.331%0.30870%0.695SS.*  86.7127.776.3-154.8172.5168.300111.9A132 N133A132-E982 WeakPolarHBondContact CA-OE1 3.49Å; A132-E982 VanDerWaalsContact N-CD 3.3Å; A132-E982 PolarHBondContact N-OE1 2.59Å; A132-E982 VanDerWaalsContact N-OE1 3.13Å; A132-E982 PolarHBondContact N-OE2 3.47Å; N133-E982 VanDerWaalsContact N-CD 3.28Å; N133-E982 PolarHBondContact N-OE1 2.86Å
983S35.7Very low34.9Very low54 Ų54127.5 Ų127.538%0.37870%0.695SS.*  cis-166.7-140.1-8.5-102.60000111.8G135 L136 G137G135-S983 CarbonylContact C-O 3.52Å; G135-S983 PolarHBondContact N-O 3.05Å; L136-S983 PolarHBondContact N-O 2.81Å; L136-S983 VanDerWaalsContact N-O 3.08Å; G137-S983 PolarHBondContact N-O 3.26Å
984E31.5Very low35.5Very low111 Ų111126 Ų12652%0.51970%0.695SS.*  trans-54175177.4-118.1-149.184.400114.5E134 G135 L136 Q986E134-E984 CarbonylContact C-O 3.6Å; G135-E984 CarbonylContact C-O 3.57Å; G135-E984 WeakPolarHBondContact CA-O 3.41Å; G135-E984 PolarHBondContact N-O 3.46Å; L136-E984 PolarHBondContact N-O 2.96Å; E984-Q986 PolarHBondContact OE1-N 3.29Å
985P45.4Very low35.3Very low55 Ų55124.9 Ų124.936%0.35770%0.699SS.*  cis-147.3172.44042.3-20.1000120.9
986Q30.1Very low35.1Very low159 Ų159119.1 Ų119.174%0.74370%0.698SS**  trans80.8113.1159.5-50.5-145.7-8.300116.8E984E984-Q986 PolarHBondContact OE1-N 3.29Å
987V30.6Very low35.1Very low124 Ų124120.3 Ų120.375%0.75270%0.696SS**  67.6118.274.2175.20000110.4
988E29.6Very low35.1Very low181 Ų181122.8 Ų122.885%0.84670%0.698SS**  cis-148.9-16946.7-151.9166-166.100113.2
989S29.7Very low35.2Very low108 Ų108124.8 Ų124.876%0.75569%0.694SS**  trans-147.2-175.5-175.9-52.90000110.8
990P46.9Very low35.6Very low114 Ų114122 Ų12274%0.7469%0.693SS**  cis-137.4-174.1-7.230.5-6.9000115.9
991T28.6Very low36.6Very low130 Ų130120.1 Ų120.180%0.79869%0.694SS**  trans109.4116.3142.1-29.90000120.4
992H29.4Very low36.9Very low177 Ų177123.8 Ų123.882%0.81971%0.705SS**  trans-57.7-179.5161.7-67-90.7000114
993P56.6Low38.3Very low115 Ų115125.4 Ų125.475%0.74772%0.721SS**  cis-127.9-138.48.336.6-11.3000110.5
994P48.2Very low38.5Very low127 Ų127130.4 Ų130.483%0.82574%0.742SS**  cis-131.9-139.5-12.242.5-21.3000114
995S32.6Very low38.6Very low121 Ų121130.5 Ų130.585%0.84676%0.755SS**  trans-155.3151.8-179.1-175.30000113.8
996A31.6Very low38.4Very low94 Ų94132.3 Ų132.378%0.77777%0.769SS**  trans-170.2167.4-178.900000112.8
997K32.5Very low38.8Very low191 Ų191134.3 Ų134.383%0.8378%0.775SS**  cis-175.8159.7-46.1-125.9-176.7178.8-178.30111.4
998V33.6Very low40.3Very low118 Ų118134 Ų13472%0.71578%0.775SS**  trans70.5151.9149.2162.30000119.3
999E35.6Very low41.7Very low156 Ų156130.9 Ų130.973%0.72977%0.771SS**  cis-179130.5-28.6-175.2163154.300114.1
1000S39.5Very low42.1Very low103 Ų103129.9 Ų129.972%0.7277%0.77SS**  trans55.4-171149.6-134.20000119.3
1001P59Low41.6Very low120 Ų120129.3 Ų129.378%0.77977%0.768SS**  cis-135.2-171.1-5.842-21.3000119.1
1002Q38.4Very low41.9Very low175 Ų175131.8 Ų131.882%0.81877%0.77SS**  trans-97.8-164.4-173.8-88.7-90.5-16.600112.8
1003P59.1Low43.1Very low100 Ų100129.3 Ų129.365%0.64977%0.77SS**  cis-155.8-172.921.846.9-23.1000122.8
1004I39.5Very low42.1Very low160 Ų160131.3 Ų131.382%0.82177%0.773SS**  trans66.2172.4158.768.1163.9000122.3
1005S34.8Very low41.3Very low112 Ų112126.4 Ų126.478%0.78375%0.746SS**  178.3-179.9-51-151.90000109
1006S41.3Very low41.4Very low94 Ų94125.4 Ų125.466%0.65773%0.731SS**  cis-165.5164.63.778.90000114.2
1007K36.9Very low41.5Very low200 Ų200128.5 Ų128.587%0.8773%0.727SS**  trans92.4138.1149.3-76.2-172.1171.3179.80125.8
1008P62.9Low42.1Very low117 Ų117125.2 Ų125.276%0.7673%0.725SS**  trans-122.4-136.2-166.531.6-3000111.4
1009P59.1Low41.9Very low117 Ų117123.6 Ų123.676%0.7672%0.723SS**  cis-146.6-172.1-8.545.2-24.1000119.3
1010A38.4Very low42Very low87 Ų87124.1 Ų124.172%0.71973%0.73SS**  trans92.7123.1137.900000126.7
1011S35.2Very low42.4Very low101 Ų101124.2 Ų124.271%0.70673%0.729SS**  trans80.5113.1132.561.40000127
1012H36.6Very low41.2Very low182 Ų182126.9 Ų126.984%0.84372%0.723SS**  52.5162.3129.5-61.6-57.8000123.1
1013P53.5Low41.5Very low126 Ų126128.1 Ų128.182%0.81873%0.726SS**  cis-142.4-145.724.646.1-23.8000117.9
1014I34.9Very low40.9Very low156 Ų156127.1 Ų127.180%0.872%0.72SS**  trans-112.7160.5-159.6-66.9155.4000114.2
1015G31.8Very low40.6Very low25 Ų25128.1 Ų128.126%0.25872%0.721SS.*  trans-166.8158.2166.900000115.6E47E47-G1015 VanDerWaalsContact CA-O 3.28Å; E47-G1015 WeakPolarHBondContact CA-O 3.49Å; E47-G1015 WeakPolarHBondContact CB-O 3.17Å; E47-G1015 WeakPolarHBondContact CG-O 3.36Å; E47-G1015 PolarHBondContact N-O 2.76Å
1016N34.2Very low40.8Very low99 Ų99130 Ų13053%0.52973%0.727SS.*  trans-97.5163.9-163.2-68.4-119.7000118.3Q46 E47Q46-N1016 WeakPolarHBondContact CB-O 3.48Å; Q46-N1016 WeakPolarHBondContact CG-O 3.42Å; Q46-N1016 PolarHBondContact NE2-O 2.6Å; E47-N1016 VanDerWaalsContact CD-CA 3.5Å; E47-N1016 WeakPolarHBondContact OE1-CA 3.31Å
1017K34.4Very low40.4Very low160 Ų160134.7 Ų134.770%0.69674%0.738SS**  trans-37.1173166.8-25.1176.8-175.2169.80118.1E47E47-K1017 VanDerWaalsContact OE2-CE 3.25Å; E47-K1017 WeakPolarHBondContact OE2-CE 3.49Å; E47-K1017 WeakPolarHBondContact OE2-CG 3.44Å; E47-K1017 PolarHBondContact OE2-N 2.61Å
1018P44.6Very low40.1Very low122 Ų122128.3 Ų128.379%0.79273%0.729SS**  cis-145.31743.543.8-24.1000119.8
1019A30.5Very low38.6Very low83 Ų83130.4 Ų130.469%0.68673%0.734SS**  trans63.1111.5140.800000126.7
1020L38Very low37.6Very low167 Ų167129.2 Ų129.287%0.87473%0.734SS**  63.7168.5128.1-66.9175.7000121.3
1021P47.2Very low37.4Very low106 Ų106128.5 Ų128.569%0.68874%0.735SS**  cis-136.8177.10.945.8-30000118.4
1022R34Very low37.4Very low175 Ų175130.2 Ų130.266%0.6674%0.741SS**  trans68.5161.4157.3-58.5-149.2170.7173.1-4.6121.1
1023K44.5Very low37.7Very low201 Ų201130.9 Ų130.987%0.87474%0.742SS**  trans-129.1160.2-177.3-53.3173.7-176.9173.30110.5
1024P45.8Very low37.3Very low80 Ų80130.2 Ų130.252%0.51974%0.738SS.*  trans-114.9166.2151.337.7-28.6000112.9
1025E33.3Very low37.3Very low180 Ų180133.8 Ų133.884%0.84174%0.741SS**  trans-86.9168.1171.7-73158.278.900112.4
1026V40.3Very low37.7Very low152 Ų152144.6 Ų144.692%0.92177%0.774SS**  trans-163.4156.3145.8127.50000109.7
1027H31.1Very low37.6Very low192 Ų192147.6 Ų147.689%0.88979%0.788SS**  trans-128.8154.5-161.3-171.292000112.8
1028G32.5Very low37.4Very low66 Ų66145.1 Ų145.168%0.6879%0.791SS**  trans84.2162.3173.100000116.3
1029D31.1Very low37Very low162 Ų162147.5 Ų147.587%0.86679%0.792SS**  cis-161.9164.9-10.5-177.333.7000110.9
1030A36.6Very low37.4Very low91 Ų91149.3 Ų149.375%0.75280%0.796SS**  trans64133163.800000119.3
1031G34.3Very low37.5Very low72 Ų72145.9 Ų145.974%0.74278%0.784SS**  trans-174.4-14.7178.400000122.7
1032V35.2Very low37.7Very low138 Ų138146.7 Ų146.784%0.83679%0.789SS**  trans64.4112.4171.9-1740000118.2
1033K43.6Very low37.4Very low195 Ų195143 Ų14385%0.84880%0.796SS**  trans24158.3133.2-58.3-178.7179.1179.20121.6
1034P44.8Very low36.9Very low113 Ų113145.7 Ų145.773%0.73480%0.8SS**  cis-137.6165.38.334.9-14000118.5
1035R34.4Very low36.1Very low231 Ų231148 Ų14887%0.87282%0.818SS**  trans26.9127.9144.5-67.3180166.8175.7-5.5120.9
1036R40.7Very low36.2Very low252 Ų252144 Ų14495%0.95182%0.816SS**  -155.3172.496.4-97.5-178.3-158.6-1545.3110.2
1037I31.8Very low36.5Very low161 Ų161143 Ų14383%0.82681%0.813SS**  trans-123152.9-163.5-46.3163.9000109.2
1038S31.7Very low36.8Very low108 Ų108137.9 Ų137.976%0.75581%0.813SS**  trans-133.4132.2178.2-58.40000112.7
1039E35.1Very low36.9Very low173 Ų173138.3 Ų138.381%0.80882%0.817SS**  trans61.6157.5158.8-92179.7100.900118.8
1040P39.3Very low37.4Very low120 Ų120135.8 Ų135.878%0.77981%0.812SS**  cis-136.7176.23841.8-23.3000118.6
1041P40.1Very low38.1Very low96 Ų96139.1 Ų139.162%0.62382%0.817SS**  trans-103.2-155167.645-37.7000110.6
1042P51.6Low39.8Very low123 Ų123137.8 Ų137.880%0.79980%0.796SS**  cis-131.7168.9-22.139.8-24.4000115.4
1043A28.6Very low41.6Very low96 Ų96134.7 Ų134.779%0.79378%0.779SS**  trans-161.7111153.400000110.7
1044R32.8Very low43.2Very low258 Ų258129.9 Ų129.997%0.97477%0.77SS**  78.894.685.1-95.4-167170.2-154.6-1.5116.5
1045S29.8Very low45Very low128 Ų128133.3 Ų133.390%0.89577%0.768SS**  trans-147.3145.1140.655.20000109.8
1046A35.6Very low47.5Very low96 Ų96124.6 Ų124.679%0.79374%0.739SS**  trans-174.6173.4-174.700000108.5
1047P46.1Very low49.9Very low131 Ų131115.5 Ų115.585%0.85171%0.714SS**  cis-118.6171.6-14.539.7-27.2000112.2
1048G36.5Very low52.8Low86 Ų86111.6 Ų111.689%0.88770%0.697SS**  trans163.478.6171.700000115.1
1049G36.1Very low55.6Low75 Ų75108.7 Ų108.777%0.77368%0.68SS**  trans179.2115.4174.900000110.8
1050S41.8Very low58.2Low108 Ų108106.5 Ų106.576%0.75567%0.668SS**  trans-59.4135.1-178.853.10000111.8S1052S1050-S1052 PolarHBondContact O-N 2.99Å
1051D51.5Low60.5Low161 Ų161107.2 Ų107.286%0.86166%0.661SS**  trans-56.8112.2175.9-132.3-27.7000109.5
1052S69.1Low62.9Low44 Ų44110.2 Ų110.231%0.30866%0.664SS.*  trans-72.2125.1-173.5-62.30000108.6S1050 S1054S1050-S1052 PolarHBondContact O-N 2.99Å; S1052-S1054 PolarHBondContact O-N 2.94Å
1053P72.8Confident64.6Low74 Ų74110 Ų11048%0.48165%0.652SS.*  trans-52.6134.6-174.218.8-32.8000110.7W1055 I1056P1053-W1055 PolarHBondContact O-N 2.94Å; P1053-I1056 HydrophobicContact CG-CD1 3.82Å; P1053-I1056 HydrophobicContact CG-CG1 4.18Å; P1053-I1056 WeakPolarHBondContact O-CB 3.36Å; P1053-I1056 PolarHBondContact O-N 2.96Å
1054S77.6Confident67.4Low94 Ų94111.1 Ų111.166%0.65764%0.639SS**Hα-helixtrans-42.5-36-160.2-179.40000116.5S1052 I1056 S1057 V1058S1052-S1054 PolarHBondContact O-N 2.94Å; S1054-I1056 VanDerWaalsContact C-N 3.28Å; S1054-I1056 PolarHBondContact O-N 2.88Å; S1054-S1057 PolarHBondContact O-N 3.09Å; S1054-S1057 VanDerWaalsContact O-N 3.11Å; S1054-V1058 PolarHBondContact O-N 2.87Å
1055W82.4Confident69.8Low184 Ų184102.8 Ų102.870%0.69762%0.617SS**Hα-helixtrans-60-32.4175.471.3-93.5000113.8P1053 V1058 A1059P1053-W1055 PolarHBondContact O-N 2.94Å; W1055-V1058 PolarHBondContact O-N 3.46Å; W1055-A1059 VanDerWaalsContact O-CB 3.24Å; W1055-A1059 WeakPolarHBondContact O-CB 3.18Å; W1055-A1059 PolarHBondContact O-N 3.49Å
1056I87.8Confident72.2Confident49 Ų49105.7 Ų105.725%0.25161%0.609SS.*Hα-helixtrans-69-40.8173.8-59.5-174.1000110.4P1053 S1054 A1059 K1060P1053-I1056 HydrophobicContact CG-CD1 3.82Å; P1053-I1056 HydrophobicContact CG-CG1 4.18Å; P1053-I1056 WeakPolarHBondContact O-CB 3.36Å; P1053-I1056 PolarHBondContact O-N 2.96Å; S1054-I1056 VanDerWaalsContact C-N 3.28Å; S1054-I1056 PolarHBondContact O-N 2.88Å; I1056-A1059 PolarHBondContact O-N 3.46Å; I1056-K1060 HydrophobicContact CG2-CD 3.8Å; I1056-K1060 HydrophobicContact CG2-CG 4.24Å; I1056-K1060 VanDerWaalsContact O-CB 3.32Å; I1056-K1060 WeakPolarHBondContact O-CB 3.19Å; I1056-K1060 VanDerWaalsContact O-CG 3.31Å; I1056-K1060 WeakPolarHBondContact O-CG 3.29Å; I1056-K1060 PolarHBondContact O-N 2.9Å
1057S90.1Very high74.4Confident61 Ų61108.7 Ų108.743%0.42761%0.605SS.*Hα-helixtrans-65.2-39.9175.1-66.10000111.4S1054 Q1061S1054-S1057 PolarHBondContact O-N 3.09Å; S1054-S1057 VanDerWaalsContact O-N 3.11Å; S1057-Q1061 VanDerWaalsContact O-CB 3.27Å; S1057-Q1061 WeakPolarHBondContact O-CB 3.29Å; S1057-Q1061 PolarHBondContact O-N 3.23Å
1058V92.4Very high75.6Confident78 Ų78108.2 Ų108.247%0.47359%0.591SS.*Hα-helixtrans-65.8-41.4172175.60000111.7S1054 W1055 Q1061 K1062S1054-V1058 PolarHBondContact O-N 2.87Å; W1055-V1058 PolarHBondContact O-N 3.46Å; V1058-Q1061 PolarHBondContact O-N 2.77Å; V1058-K1062 PolarHBondContact O-N 2.89Å
1059A91.3Very high76.5Confident48 Ų48108.5 Ų108.540%0.39758%0.576SS.*Hα-helixtrans-64.7-46.5177.100000111.6W1055 I1056 Q1061 K1062 Q1063W1055-A1059 VanDerWaalsContact O-CB 3.24Å; W1055-A1059 WeakPolarHBondContact O-CB 3.18Å; W1055-A1059 PolarHBondContact O-N 3.49Å; I1056-A1059 PolarHBondContact O-N 3.46Å; A1059-Q1061 VanDerWaalsContact C-N 3.3Å; A1059-Q1061 PolarHBondContact O-N 3.44Å; A1059-K1062 PolarHBondContact O-N 2.89Å; A1059-Q1063 WeakPolarHBondContact O-CB 3.14Å; A1059-Q1063 PolarHBondContact O-N 3.21Å
1060K89.1Confident77.7Confident127 Ų127107.3 Ų107.355%0.55255%0.554SS**Hα-helixtrans-64.9-32.7174.2-70.6176.274.3170.60111.6I1056 K1064I1056-K1060 HydrophobicContact CG2-CD 3.8Å; I1056-K1060 HydrophobicContact CG2-CG 4.24Å; I1056-K1060 VanDerWaalsContact O-CB 3.32Å; I1056-K1060 WeakPolarHBondContact O-CB 3.19Å; I1056-K1060 VanDerWaalsContact O-CG 3.31Å; I1056-K1060 WeakPolarHBondContact O-CG 3.29Å; I1056-K1060 PolarHBondContact O-N 2.9Å; K1060-K1064 WeakPolarHBondContact O-CB 3.02Å; K1060-K1064 PolarHBondContact O-N 3.4Å
1061Q88.3Confident78.2Confident135 Ų135109.4 Ų109.463%0.63156%0.556SS**Hα-helixtrans-70.4-40.6172.3-172.6169.8-2.400112.2S1057 V1058 A1059 K1064 V1065S1057-Q1061 VanDerWaalsContact O-CB 3.27Å; S1057-Q1061 WeakPolarHBondContact O-CB 3.29Å; S1057-Q1061 PolarHBondContact O-N 3.23Å; V1058-Q1061 PolarHBondContact O-N 2.77Å; A1059-Q1061 VanDerWaalsContact C-N 3.3Å; A1059-Q1061 PolarHBondContact O-N 3.44Å; Q1061-K1064 PolarHBondContact O-N 2.83Å; Q1061-V1065 WeakPolarHBondContact O-CG2 3.11Å; Q1061-V1065 PolarHBondContact O-N 2.84Å
1062K89.3Confident78.2Confident159 Ų159107.2 Ų107.269%0.69154%0.544SS*.Hα-helixtrans-66.1-41.2173-73.9-169.970.7-179.50112.2V1058 A1059 K1064 V1065 Y1066V1058-K1062 PolarHBondContact O-N 2.89Å; A1059-K1062 PolarHBondContact O-N 2.89Å; K1062-K1064 VanDerWaalsContact C-N 3.33Å; K1062-V1065 PolarHBondContact O-N 3.5Å; K1062-Y1066 WeakPolarHBondContact O-CB 3.37Å; K1062-Y1066 PolarHBondContact O-N 3.5Å
1063Q88Confident77.5Confident117 Ų117110.2 Ų110.255%0.54755%0.554SS.*Hα-helixtrans-64.6-38.9174.1-169.5-175.33200111.2A1059 Y1066 K1067A1059-Q1063 WeakPolarHBondContact O-CB 3.14Å; A1059-Q1063 PolarHBondContact O-N 3.21Å; Q1063-Y1066 PolarHBondContact O-N 2.81Å; Q1063-K1067 WeakPolarHBondContact O-CB 3.46Å; Q1063-K1067 PolarHBondContact O-N 2.95Å
1064K88.1Confident76.4Confident120 Ų120113.5 Ų113.552%0.52257%0.566SS.*Hα-helixtrans-64.7-47.1174-179.4168.5177.9172.40111.3K1060 Q1061 K1062 Y1066 K1067 E1068K1060-K1064 WeakPolarHBondContact O-CB 3.02Å; K1060-K1064 PolarHBondContact O-N 3.4Å; Q1061-K1064 PolarHBondContact O-N 2.83Å; K1062-K1064 VanDerWaalsContact C-N 3.33Å; K1064-Y1066 VanDerWaalsContact C-N 3.32Å; K1064-Y1066 PolarHBondContact O-N 2.83Å; K1064-K1067 CarbonylContact O-C 3.55Å; K1064-K1067 PolarHBondContact O-N 3.31Å; K1064-E1068 WeakPolarHBondContact CE-OE1 3.4Å; K1064-E1068 WeakPolarHBondContact CE-OE2 3.14Å; K1064-E1068 HydrophobicContact CG-CG 4.15Å; K1064-E1068 WeakPolarHBondContact CG-OE2 3.4Å; K1064-E1068 IonicContact NZ-OE1 2.59Å; K1064-E1068 PolarHBondContact NZ-OE1 2.91Å; K1064-E1068 VanDerWaalsContact O-CB 3.32Å; K1064-E1068 WeakPolarHBondContact O-CB 3.29Å; K1064-E1068 WeakPolarHBondContact O-CG 3.34Å; K1064-E1068 PolarHBondContact O-N 2.89Å
1065V82.9Confident74.9Confident83 Ų83113.5 Ų113.550%0.50356%0.562SS.*Hα-helixtrans-57.3-45.2173.6168.10000111.1Q1061 K1062 K1067 E1068 T1069Q1061-V1065 WeakPolarHBondContact O-CG2 3.11Å; Q1061-V1065 PolarHBondContact O-N 2.84Å; K1062-V1065 PolarHBondContact O-N 3.5Å; V1065-K1067 PolarHBondContact O-N 3.28Å; V1065-E1068 CarbonylContact O-C 3.58Å; V1065-E1068 PolarHBondContact O-N 2.9Å; V1065-T1069 PolarHBondContact O-N 3.26Å; V1065-T1069 PolarHBondContact O-OG1 3.13Å
1066Y79.4Confident73Confident189 Ų189109.5 Ų109.574%0.74156%0.557SS**Hα-helixtrans-63.7-37.8177.6-171.1-101.6000112.8K1062 Q1063 K1064K1062-Y1066 WeakPolarHBondContact O-CB 3.37Å; K1062-Y1066 PolarHBondContact O-N 3.5Å; Q1063-Y1066 PolarHBondContact O-N 2.81Å; K1064-Y1066 VanDerWaalsContact C-N 3.32Å; K1064-Y1066 PolarHBondContact O-N 2.83Å
1067K81.6Confident70.9Confident159 Ų159114.9 Ų114.969%0.69158%0.579SS**Hα-helixtrans-76.9-25.6174.3-74.7-162.1171.7-161.30114.3Q1063 K1064 V1065Q1063-K1067 WeakPolarHBondContact O-CB 3.46Å; Q1063-K1067 PolarHBondContact O-N 2.95Å; K1064-K1067 CarbonylContact O-C 3.55Å; K1064-K1067 PolarHBondContact O-N 3.31Å; V1065-K1067 PolarHBondContact O-N 3.28Å
1068E70.9Confident68.8Low122 Ų122121.2 Ų121.257%0.5760%0.599SS**Hα-helixtrans-88.4-2.7175.3-72-176.215200112.9K1064 V1065 P1070K1064-E1068 WeakPolarHBondContact CE-OE1 3.4Å; K1064-E1068 WeakPolarHBondContact CE-OE2 3.14Å; K1064-E1068 HydrophobicContact CG-CG 4.15Å; K1064-E1068 WeakPolarHBondContact CG-OE2 3.4Å; K1064-E1068 IonicContact NZ-OE1 2.59Å; K1064-E1068 PolarHBondContact NZ-OE1 2.91Å; K1064-E1068 VanDerWaalsContact O-CB 3.32Å; K1064-E1068 WeakPolarHBondContact O-CB 3.29Å; K1064-E1068 WeakPolarHBondContact O-CG 3.34Å; K1064-E1068 PolarHBondContact O-N 2.89Å; V1065-E1068 CarbonylContact O-C 3.58Å; V1065-E1068 PolarHBondContact O-N 2.9Å; E1068-P1070 WeakPolarHBondContact O-CD 3.36Å
1069T55.3Low66.5Low91 Ų91125.9 Ų125.956%0.55862%0.616SS**SBendtrans-11369.4160.458.40000111.1V1065 L1071V1065-T1069 PolarHBondContact O-N 3.26Å; V1065-T1069 PolarHBondContact O-OG1 3.13Å; T1069-L1071 PolarHBondContact O-N 3.27Å
1070P62.5Low64Low51 Ų51132.3 Ų132.333%0.33164%0.637SS.*  trans-60.5120.5167.827.9-33.9000109.1E1068 N1072 E1073E1068-P1070 WeakPolarHBondContact O-CD 3.36Å; P1070-N1072 WeakPolarHBondContact CB-OD1 3.28Å; P1070-N1072 PolarHBondContact O-N 3.45Å; P1070-E1073 HydrophobicContact CG-CB 4.24Å; P1070-E1073 HydrophobicContact CG-CG 4.04Å; P1070-E1073 PolarHBondContact O-N 3.12Å
1071L52.6Low61.6Low151 Ų151135.2 Ų135.279%0.79165%0.653SS**THydrogen-bonded Turntrans-58.7-25.6-170.8-167.363.4000112.7T1069T1069-L1071 PolarHBondContact O-N 3.27Å
1072N51.3Low59.3Low115 Ų115137.8 Ų137.862%0.61567%0.665SS**THydrogen-bonded Turntrans-77.3-10.4177.848.6-42.6000115.7P1070 I1074 T1075 V1076P1070-N1072 WeakPolarHBondContact CB-OD1 3.28Å; P1070-N1072 PolarHBondContact O-N 3.45Å; N1072-I1074 VanDerWaalsContact C-N 3.33Å; N1072-T1075 PolarHBondContact O-OG1 2.94Å; N1072-V1076 WeakPolarHBondContact O-CG2 3.39Å
1073E54.9Low56.9Low108 Ų108139.9 Ų139.951%0.50567%0.674SS.*Hα-helixtrans-77.1-17.6172.8-97.9-133.7108.300113.8P1070 K1077P1070-E1073 HydrophobicContact CG-CB 4.24Å; P1070-E1073 HydrophobicContact CG-CG 4.04Å; P1070-E1073 PolarHBondContact O-N 3.12Å; E1073-K1077 IonicContact OE1-NZ 2.6Å; E1073-K1077 PolarHBondContact OE1-NZ 3.12Å
1074I48.1Very low54.6Low142 Ų142144.2 Ų144.273%0.72869%0.691SS**Hα-helixtrans-85.2-24-175.4-69.2175.3000112.2N1072N1072-I1074 VanDerWaalsContact C-N 3.33Å
1075T46.4Very low52.4Low95 Ų95144.8 Ų144.858%0.58371%0.707SS**Hα-helixtrans-84.8-49179.9480000112.7N1072 K1077 K1078N1072-T1075 PolarHBondContact O-OG1 2.94Å; T1075-K1077 VanDerWaalsContact C-N 3.34Å; T1075-K1077 PolarHBondContact O-N 2.73Å; T1075-K1078 WeakPolarHBondContact O-CB 3.33Å; T1075-K1078 PolarHBondContact O-N 2.87Å
1076V43.7Very low49.9Very low99 Ų99145.2 Ų145.260%0.672%0.719SS**Hα-helixtrans-61.3-35.5-168.61780000113.6N1072 K1078 E1079N1072-V1076 WeakPolarHBondContact O-CG2 3.39Å; V1076-K1078 PolarHBondContact O-N 3.01Å; V1076-E1079 PolarHBondContact O-N 2.71Å
1077K42.8Very low47.6Very low163 Ų163144.1 Ų144.171%0.70973%0.726SS**THydrogen-bonded Turntrans-71.915.2-177.8-78.8164.3177.3154.30115.2E1073 T1075E1073-K1077 IonicContact OE1-NZ 2.6Å; E1073-K1077 PolarHBondContact OE1-NZ 3.12Å; T1075-K1077 VanDerWaalsContact C-N 3.34Å; T1075-K1077 PolarHBondContact O-N 2.73Å
1078K47.2Very low45.6Very low193 Ų193142.1 Ų142.184%0.83973%0.728SS**THydrogen-bonded Turntrans-109.9-15.4177.1-166.4-177.2168.7-159.70113.7T1075 V1076T1075-K1078 WeakPolarHBondContact O-CB 3.33Å; T1075-K1078 PolarHBondContact O-N 2.87Å; V1076-K1078 PolarHBondContact O-N 3.01Å
1079E43Very low44.4Very low176 Ų176141.8 Ų141.882%0.82274%0.737SS**THydrogen-bonded Turntrans-100-23-166-155.1168.5136.600114.8V1076 Q1081V1076-E1079 PolarHBondContact O-N 2.71Å; E1079-Q1081 PolarHBondContact O-N 3.05Å
1080E39.8Very low43.1Very low183 Ų183144.8 Ų144.886%0.85575%0.75SS**SBendtrans-89.621.7-165-146.7-162125.900116.3
1081Q38.8Very low41.7Very low188 Ų188152 Ų15288%0.87977%0.77SS**  trans-144.864178.3-74.7-158.1-4.500116.4E1079E1079-Q1081 PolarHBondContact O-N 3.05Å
1082E38.3Very low40.7Very low189 Ų189151.4 Ų151.488%0.88376%0.763SS**  trans-155.165158.4-136.9157.6-157.500115.9
1083K39.5Very low39.9Very low204 Ų204153.1 Ų153.189%0.88777%0.768SS**  trans-133.783.2175.2-76-178.6179.4165.80116.4
1084K40.2Very low38.9Very low207 Ų207153.7 Ų153.790%0.978%0.784SS**  trans66.3173.9150.1-62.2-171.4178.8-174.10117.2
1085P42.2Very low38Very low133 Ų133152.7 Ų152.786%0.86479%0.789SS**  cis-118-160.2-3.640.2-23.9000115
1086A29Very low37.3Very low91 Ų91153.5 Ų153.575%0.75280%0.799SS**  trans-143.6-160.7-158.600000116.1
1087L32.3Very low36.5Very low167 Ų167154.6 Ų154.687%0.87481%0.811SS**  trans92.3159.6173.2-55.6172.9000117.6
1088P39.9Very low35.9Very low116 Ų116152 Ų15275%0.75381%0.813SS**  cis-132.3178-34.933.7-14.7000114.4
1089P45.7Very low35.2Very low116 Ų116152.1 Ų152.175%0.75381%0.814SS**  trans-116.9167-165.141.6-33.6000118.3
1090N27.8Very low35.4Very low153 Ų153149.1 Ų149.182%0.81881%0.81SS**  trans-172.9167.4155.2-105.7-94.1000108.3
1091R32.5Very low35Very low202 Ų202148.5 Ų148.576%0.76281%0.811SS**  cis-178.1169.7-35.3-173.5-169.4158.1111.4-2.2107
1092E31.1Very low34.7Very low139 Ų139147.7 Ų147.765%0.6581%0.807SS**  trans80.9146.6163.1-49.1-150.4116.300117.2
1093Q33.9Very low35.5Very low152 Ų152143 Ų14371%0.7179%0.793SS**  cis-155.9159.5-15-117.6-17350.600109.5
1094S35Very low35.1Very low119 Ų119139.2 Ų139.283%0.83279%0.787SS**  trans-116.6137.3177.8-54.60000112.2
1095S29.4Very low34.8Very low122 Ų122134.9 Ų134.985%0.85377%0.774SS**  trans-177.5176.915246.80000112
1096S30.8Very low34.6Very low112 Ų112138.8 Ų138.878%0.78377%0.772SS**  trans-146.1161-161.959.90000114.7
1097S28.3Very low34.6Very low122 Ų122140 Ų14085%0.85377%0.77SS**  trans70.2155.1171.3-121.40000115.8
1098S29.8Very low34.4Very low107 Ų107136.6 Ų136.675%0.74876%0.76SS**  cis-151.6-171.68.263.50000113.2
1099K31.5Very low34Very low196 Ų196137.3 Ų137.385%0.85276%0.762SS**  trans-89.2-167.4-173.4-63.8-179.6-179.9176.30111.1
1100P47Very low33.3Very low114 Ų114141.2 Ų141.274%0.7477%0.77SS**  cis-146.2-174.26.445.9-26.2000118.2
1101L32Very low33.8Very low170 Ų170142.7 Ų142.789%0.8977%0.769SS**  -158.7176.6128.5-105171.5000111.3
1102E32.8Very low33.8Very low170 Ų170140.6 Ų140.679%0.79477%0.768SS**  trans-121.7-174.7-155.2-97.2-162.392.500114.2
1103P54.8Low34.2Very low90 Ų90139.6 Ų139.658%0.58477%0.771SS**  cis-139.4-178-49.339.5-22.1000113.8
1104T31.4Very low34.2Very low125 Ų125144 Ų14477%0.76778%0.782SS**  158.4106.1124.4-62.60000115.2
1105N34.2Very low34.3Very low116 Ų116149.8 Ų149.862%0.6279%0.785SS**  trans-25.6163.9153.8-65-70.6000118.8
1106R37.2Very low34.2Very low215 Ų215149.9 Ų149.981%0.81178%0.781SS**  cis-178.5175.6-0-106.2179.7-162.8-138.3-0.1108.3
1107V28.8Very low34.1Very low118 Ų118153.5 Ų153.572%0.71578%0.782SS**  cis-171173.7-15.162.10000109.8
1108S29.2Very low34.1Very low95 Ų95152.3 Ų152.366%0.66477%0.774SS**  trans82.6109156.6-70.70000122
1109V31.6Very low34.1Very low131 Ų131153.4 Ų153.479%0.79478%0.776SS**  34.5120.5111.9-170.10000118.6
1110E30Very low34.5Very low197 Ų197150 Ų15092%0.92177%0.774SS**  -165.3-172113.1-106.2-167.3151.800113
1111K39.2Very low33.6Very low184 Ų184150 Ų15080%0.877%0.773SS**  trans-117.9169.4-155.9-174.6-171.9171.4-159.80112.5
1112E31.3Very low34Very low158 Ų158147.7 Ų147.774%0.73877%0.767SS**  trans98.9163150.7-150.5152.4126.700118.3
1113T39.2Very low34Very low118 Ų118145.6 Ų145.672%0.72477%0.766SS**  trans-118.6146.4-162.1570000112.5
1114R34.2Very low33.3Very low246 Ų246146.9 Ų146.993%0.92877%0.774SS**  trans-176.6163.4132.9-99.1157.4-159.4-98.20.8112.1
1115R37.6Very low33.7Very low240 Ų240146.7 Ų146.791%0.90678%0.775SS**  trans-65.4142.5-178.4-63.9168.3166.6145.4-5.9112.1
1116T28.3Very low33.6Very low124 Ų124148.4 Ų148.476%0.76178%0.779SS**  179.3143.2111.627.70000114.7
1117F27.9Very low34Very low187 Ų187143.8 Ų143.882%0.8278%0.777SS**  trans31.6125.3153.8-64.8-70.3000124.9
1118S27.5Very low34.6Very low98 Ų98143.7 Ų143.769%0.68578%0.779SS**  79.2102.2129.6-59.30000123.4
1119V31.6Very low34.8Very low129 Ų129146.6 Ų146.678%0.78278%0.78SS**  48.2121.3104.21750000117.1
1120P38.3Very low35Very low126 Ų126146.1 Ų146.182%0.81878%0.78SS**  -146.2153.382.739.2-21.9000119.4
1121T28.2Very low34.9Very low114 Ų114143.4 Ų143.470%0.69977%0.771SS**  trans-89.9157171.5-34.80000111.9V1123T1121-V1123 HydrophobicContact CG2-CG2 4.04Å
1122P40.9Very low34.5Very low120 Ų120141.6 Ų141.678%0.77977%0.769SS**  trans-103120.5157.233.7-25.9000112.3
1123V33Very low34.5Very low126 Ų126143.6 Ų143.676%0.76478%0.778SS**  trans-142.2125.2171.3170.60000110T1121T1121-V1123 HydrophobicContact CG2-CG2 4.04Å
1124P40.8Very low33.8Very low117 Ų117147 Ų14776%0.7678%0.783SS**  trans-141.8172.2137.626.9-6.7000112.5
1125P39Very low34.2Very low122 Ų122140.3 Ų140.379%0.79277%0.771SS**  cis-126159.69.339-23.8000117
1126Q32.7Very low33.7Very low151 Ų151138.1 Ų138.171%0.70677%0.772SS**  trans-105.9174.9154.2-56.1-167.9-41.400108.9
1127P44.2Very low33.8Very low118 Ų118136.2 Ų136.277%0.76677%0.769SS**  -152.3-177.987.540.1-22.2000114.6
1128P41.3Very low34.7Very low117 Ų117133 Ų13376%0.7677%0.767SS**  cis-126.3177.2-2424.7-2.7000114.1
1129K34.2Very low35.3Very low155 Ų155134.2 Ų134.267%0.67477%0.772SS**  trans-108.1171.2167-57.9174.1-174.2175.30110.5
1130P35.2Very low35.3Very low122 Ų122134.5 Ų134.579%0.79277%0.774SS**  -137.9132.5100.732.3-18000112.5
1131L29.1Very low35.5Very low139 Ų139134.7 Ų134.773%0.72878%0.775SS**  86.7103.764.6-76.4171.3000115.6
1132L30.1Very low35.6Very low147 Ų147133.9 Ų133.977%0.7778%0.78SS**  trans49.9122.8142.2-70.1167.2000121.4
1133Q31.4Very low35.3Very low199 Ų199136.7 Ų136.793%0.9378%0.78SS**  -170.2179.8113-106.115699.200115.4
1134K24.9Very low35.7Very low189 Ų189136.9 Ų136.982%0.82278%0.784SS**  trans-127.5-171.6-178.3-168.2-178.7174-179.50107.2
1135P41.5Very low35.4Very low106 Ų106134.9 Ų134.969%0.68877%0.773SS**  -95.8-161.4-85.740-25.7000114.2
1136Q27.9Very low35.7Very low194 Ų194134.3 Ų134.391%0.90777%0.769SS**  trans101.2154156.2-149.4165.816.600117.2
1137A30.1Very low35.6Very low85 Ų85137.4 Ų137.470%0.70277%0.774SS**  trans-137-169.7-168.500000110
1138P46.5Very low34.9Very low120 Ų120135.6 Ų135.678%0.77977%0.765SS**  cis-114.9-167.6-24.840.4-25.4000111
1139P41.1Very low34.3Very low123 Ų123137 Ų13780%0.79977%0.766SS**  -153.716590.939.8-21.1000117.2
1140T30.8Very low34.3Very low135 Ų135135 Ų13583%0.82877%0.771SS**  trans-99.8153.8161.849.50000110.2
1141P41.6Very low34.6Very low129 Ų129134.5 Ų134.584%0.83877%0.768SS**  -140.7179.884.641-24.3000112.5
1142A31Very low34.6Very low97 Ų97138.6 Ų138.680%0.80277%0.774SS**  cis-144.9164.515.700000114.1
1143K35.3Very low34.6Very low180 Ų180136.4 Ų136.478%0.78377%0.771SS**  trans-82164.5169.1-128-174.3-179.5176.50109.9
1144P40.1Very low34.7Very low129 Ų129131.9 Ų131.984%0.83876%0.761SS**  -134.61576036.7-20.6000116.5
1145S35.4Very low35.6Very low76 Ų76128.5 Ų128.553%0.53176%0.758SS.*  trans-128.9144.9161.4157.10000107.2R1147S1145-R1147 PolarHBondContact OG-N 3.16Å
1146P45.6Very low35Very low110 Ų110127.6 Ų127.671%0.71476%0.76SS**  -113.8136.4126.6-5.526.1000110.2
1147R29.9Very low35.2Very low215 Ų215128 Ų12881%0.81176%0.759SS**  75.3142.873.5-69.6177.1176.9-108.33.7113.3S1145S1145-R1147 PolarHBondContact OG-N 3.16Å
1148S29.6Very low35.9Very low81 Ų81129.2 Ų129.257%0.56676%0.76SS**  cis-174.4-177.3-13.1-97.40000109.1
1149D29.9Very low36.2Very low146 Ų146128.9 Ų128.978%0.78176%0.757SS**  trans8090.6147.7-52.1-40.2000118.9
1150S33.2Very low36.5Very low113 Ų113129 Ų12979%0.7976%0.758SS**  -50.8153.2129.8-40.80000109.4
1151P42.5Very low36.6Very low111 Ų111128.4 Ų128.472%0.72175%0.754SS**  -157166.471.745-25.9000118
1152R28Very low36.2Very low226 Ų226129.4 Ų129.485%0.85375%0.752SS**  42.4122.2128.5-169.3-171.8-150.9-1026.7118.9
1153S30.9Very low36.2Very low101 Ų101129.5 Ų129.571%0.70675%0.746SS**  169.1130.1104.1-154.50000113.6
1154S32.2Very low36Very low103 Ų103130.2 Ų130.272%0.7275%0.749SS**  trans-65.7172.3149.3-27.10000109.7
1155P44.6Very low35.8Very low118 Ų118130.3 Ų130.377%0.76675%0.748SS**  cis-148-174.527.543.9-22.7000117.5
1156A29.5Very low36.9Very low88 Ų88132.2 Ų132.273%0.72776%0.758SS**  trans53.8122.2143.500000123.1
1157K31.1Very low37.3Very low202 Ų202132 Ų13288%0.87876%0.756SS**  20.4152.3118.5-101.9-176.9179.3174.80120.1
1158P45.4Very low37.2Very low111 Ų111128.5 Ų128.572%0.72176%0.759SS**  cis-136.1-134.12.547.4-26000112.8
1159P51.9Low37.3Very low113 Ų113129 Ų12973%0.73477%0.768SS**  trans-115.3-163.5-151.243.8-21.3000113.3
1160P49.1Very low37.7Very low124 Ų124127.6 Ų127.681%0.80577%0.769SS**  -154.8-162.873.543.5-20.5000116.8
1161V30.9Very low38.6Very low123 Ų123127.6 Ų127.675%0.74577%0.767SS**  trans-72.9158.7-163.9-71.90000121.2
1162L33.8Very low38.1Very low151 Ų151133.4 Ų133.479%0.79178%0.775SS**  trans46.1131.5143.9-86.577.7000122
1163S32.1Very low38.3Very low98 Ų98128.4 Ų128.469%0.68577%0.769SS**  171.7134.1107.8-80.80000118.3
1164K30.7Very low38.5Very low196 Ų196130 Ų13085%0.85278%0.775SS**  trans69.6153146.3-95.466.8175.2-178.30122.3
1165T36Very low39.1Very low131 Ų131131 Ų13180%0.80478%0.778SS**  trans-138.2-163.4-172.258.70000108.9
1166P57.9Low38.5Very low116 Ų116132.7 Ų132.775%0.75378%0.776SS**  cis-113.9-104.8-14.731.5-8.5000111.5
1167P54.1Low38.6Very low104 Ų104136.1 Ų136.168%0.67578%0.775SS**  cis-132169.5-343.5-26.4000117.6
1168V28.5Very low39.2Very low143 Ų143132 Ų13287%0.86777%0.768SS**  trans62.6135.4146.4161.20000120.3
1169A30.8Very low38.6Very low90 Ų90131.1 Ų131.174%0.74477%0.77SS**  cis-164.7168.1-17.800000111.5
1170S37.6Very low37.8Very low117 Ų117130.9 Ų130.982%0.81877%0.771SS**  trans-90.1-177.8-176.4-33.10000113.7
1171P52.3Low37.6Very low114 Ų114131.1 Ų131.174%0.7477%0.773SS**  -159.8164.163.542.5-20.5000121.6
1172R33.6Very low37.8Very low233 Ų233134.2 Ų134.288%0.87978%0.779SS**  trans67160146.1-85.6-179.9164.6-140.9-5.3120.2
1173T30.8Very low38Very low121 Ų121138.6 Ų138.674%0.74279%0.785SS**  cis-142.71738.834.60000113.2
1174V34.9Very low38.2Very low135 Ų135137.1 Ų137.182%0.81879%0.786SS**  trans-136.4156.3172.6-154.80000110.9
1175P46.3Very low38.4Very low123 Ų123133.4 Ų133.480%0.79978%0.784SS**  -151-175.9118.339-20.1000116.6
1176E30.9Very low38.9Very low154 Ų154132.6 Ų132.672%0.7278%0.781SS**  trans-79.9-177-170.3-32.9-173.486.400115.4
1177K32.7Very low38.1Very low160 Ų160132.9 Ų132.970%0.69678%0.783SS**  cis-161.7-148.412.9-139.6146.1-173.6137.10107
1178P43.8Very low37.4Very low115 Ų115132.7 Ų132.775%0.74779%0.791SS**  cis-135.6177.7-29.140.5-21.5000117.1
1179A31Very low38Very low92 Ų92132.4 Ų132.476%0.7679%0.789SS**  trans53113.2141.600000126.7
1180S36.9Very low38.8Very low108 Ų108135 Ų13576%0.75579%0.79SS**  trans57.8157.2132.5-99.90000122.6
1181P43.8Very low39.6Very low130 Ų130133.7 Ų133.784%0.84478%0.778SS**  cis-106.8179.826.740.9-36.4000117
1182Q34.4Very low39.7Very low187 Ų187137 Ų13787%0.87478%0.784SS**PPolyproline II helixtrans-82.3149.7-169.1-67.4176.8-92.400115.6
1183R39.6Very low41.2Very low243 Ų243133.6 Ų133.692%0.91778%0.783SS**PPolyproline II helixtrans-84.4143.9169.8-176.1-177.4-68.1-174.4-2.2110.6
1184G35.3Very low43.9Very low68 Ų68129.9 Ų129.970%0.70176%0.758SS**PPolyproline II helixtrans-69.2155.2176.200000114.2
1185S36Very low46.7Very low117 Ų117125.8 Ų125.882%0.81873%0.734SS**PPolyproline II helixtrans-69.6150.8179.5-53.80000113.1
1186P46Very low48.9Very low114 Ų114125.4 Ų125.474%0.7473%0.731SS**PPolyproline II helixtrans-68157.7171.730.5-35.7000112.1
1187P41Very low52.1Low123 Ų123126.5 Ų126.580%0.79973%0.729SS**PPolyproline II helixtrans-65.3144.8176.628.3-35.2000111.6
1188A39.5Very low55Low100 Ų100122.1 Ų122.183%0.82671%0.712SS**PPolyproline II helixtrans-66.5135.2179.200000111.7L1190A1188-L1190 PolarHBondContact O-N 3.21Å
1189T40.3Very low57.5Low136 Ų136118.5 Ų118.583%0.83469%0.691SS**PPolyproline II helixtrans-61.5128.7173.944.30000111.3
1190L48.6Very low60.6Low145 Ų145119 Ų11976%0.75968%0.681SS**PPolyproline II helixtrans-57.3137.1167.9-76.5164.5000110.2A1188 Q1192A1188-L1190 PolarHBondContact O-N 3.21Å; L1190-Q1192 PolarHBondContact O-N 3.19Å
1191P53.9Low63.5Low89 Ų89116 Ų11658%0.57866%0.663SS**  trans-70.195.8173.629.2-33.5000109.9N1193P1191-N1193 PolarHBondContact O-N 3.2Å
1192Q53.4Low66.1Low185 Ų185115 Ų11586%0.86465%0.645SS**SBendtrans-64.58.5174.5-80-84.9-5800114.3L1190L1190-Q1192 PolarHBondContact O-N 3.19Å
1193N66.9Low69.1Low160 Ų160113.7 Ų113.786%0.85664%0.636SS**  trans-137.449.2-176-153.4-13.9000110.8P1191P1191-N1193 PolarHBondContact O-N 3.2Å
1194E85.9Confident71.9Confident44 Ų44108.3 Ų108.321%0.20662%0.62CS.*  trans-105.1120.7170.6171.2154.4-149.600109.3M1198 A1199 K1202E1194-M1198 HydrophobicContact CB-CE 4.49Å; E1194-M1198 HydrophobicContact CG-CB 4.05Å; E1194-M1198 HydrophobicContact CG-CE 3.84Å; E1194-M1198 WeakPolarHBondContact OE1-CB 3.43Å; E1194-M1198 WeakPolarHBondContact OE1-CE 3.28Å; E1194-M1198 VanDerWaalsContact OE1-CG 3.31Å; E1194-M1198 WeakPolarHBondContact OE1-CG 3.3Å; E1194-A1199 HydrophobicContact CG-CB 4.12Å; E1194-A1199 PolarHBondContact OE1-N 3.29Å; E1194-K1202 WeakPolarHBondContact OE1-CD 3.43Å; E1194-K1202 WeakPolarHBondContact OE1-CE 3.49Å; E1194-K1202 IonicContact OE1-NZ 2.72Å; E1194-K1202 PolarHBondContact OE1-NZ 3.13Å; E1194-K1202 IonicContact OE2-NZ 3.81Å; E1194-K1202 PolarHBondContact OE2-NZ 3.07Å
1195P94.3Very high74.8Confident49 Ų49108.1 Ų108.132%0.31861%0.612SS.*  trans-64.6147.1-179.726.7-35.2000111W1197 M1198 A1199P1195-W1197 HydrophobicContact CG-CZ2 4.11Å; P1195-W1197 PolarHBondContact O-N 3.35Å; P1195-M1198 HydrophobicContact CG-CB 4.09Å; P1195-M1198 PolarHBondContact O-N 3.4Å; P1195-A1199 PolarHBondContact O-N 3.03Å
1196P93.6Very high77.8Confident114 Ų114108.9 Ų108.974%0.7460%0.6SS**Hα-helixtrans-55.1-33.4-170.6-29.735.9000115M1198 L1200P1196-M1198 VanDerWaalsContact C-N 3.34Å; P1196-M1198 PolarHBondContact O-N 3.09Å; P1196-L1200 WeakPolarHBondContact O-CB 3.31Å; P1196-L1200 PolarHBondContact O-N 3.33Å
1197W96.3Very high80.2Confident177 Ų177106.1 Ų106.167%0.6759%0.587SS**Hα-helixtrans-65.6-34.117768-101.9000112.8P1195 L1200 A1201P1195-W1197 HydrophobicContact CG-CZ2 4.11Å; P1195-W1197 PolarHBondContact O-N 3.35Å; W1197-L1200 PolarHBondContact O-N 3.17Å; W1197-A1201 WeakPolarHBondContact O-CB 3.21Å; W1197-A1201 PolarHBondContact O-N 3.2Å
1198M94.9Very high82.9Confident68 Ų68109.1 Ų109.134%0.33558%0.582SS.*Hα-helixtrans-79.9-35.8-179-162.4171.468.800110.9E1194 P1195 P1196 L1200 A1201 K1202E1194-M1198 HydrophobicContact CB-CE 4.49Å; E1194-M1198 HydrophobicContact CG-CB 4.05Å; E1194-M1198 HydrophobicContact CG-CE 3.84Å; E1194-M1198 WeakPolarHBondContact OE1-CB 3.43Å; E1194-M1198 WeakPolarHBondContact OE1-CE 3.28Å; E1194-M1198 VanDerWaalsContact OE1-CG 3.31Å; E1194-M1198 WeakPolarHBondContact OE1-CG 3.3Å; P1195-M1198 HydrophobicContact CG-CB 4.09Å; P1195-M1198 PolarHBondContact O-N 3.4Å; P1196-M1198 VanDerWaalsContact C-N 3.34Å; P1196-M1198 PolarHBondContact O-N 3.09Å; M1198-L1200 VanDerWaalsContact C-N 3.3Å; M1198-L1200 PolarHBondContact O-N 3.44Å; M1198-A1201 WeakPolarHBondContact O-CB 3.34Å; M1198-A1201 PolarHBondContact O-N 3.48Å; M1198-K1202 WeakPolarHBondContact O-CG 3.14Å; M1198-K1202 PolarHBondContact O-N 3.47Å
1199A96.4Very high85.6Confident39 Ų39108.7 Ų108.732%0.32257%0.573SS.*Hα-helixtrans-60.9-39.316800000112E1194 P1195 K1203E1194-A1199 HydrophobicContact CG-CB 4.12Å; E1194-A1199 PolarHBondContact OE1-N 3.29Å; P1195-A1199 PolarHBondContact O-N 3.03Å; A1199-K1203 WeakPolarHBondContact O-CG 3.44Å; A1199-K1203 PolarHBondContact O-N 3.04Å
1200L96.3Very high88.3Confident102 Ų102105.7 Ų105.753%0.53455%0.55SS..Hα-helixtrans-66.4-42.5172.6-177.662.5000111.7P1196 W1197 M1198 K1202 K1203 K1204P1196-L1200 WeakPolarHBondContact O-CB 3.31Å; P1196-L1200 PolarHBondContact O-N 3.33Å; W1197-L1200 PolarHBondContact O-N 3.17Å; M1198-L1200 VanDerWaalsContact C-N 3.3Å; M1198-L1200 PolarHBondContact O-N 3.44Å; L1200-K1202 PolarHBondContact O-N 3.46Å; L1200-K1203 PolarHBondContact O-N 3.29Å; L1200-K1204 HydrophobicContact CG-CD 4.4Å; L1200-K1204 WeakPolarHBondContact O-CG 3.5Å; L1200-K1204 PolarHBondContact O-N 2.96Å
1201A97.7Very high90.5Very high46 Ų46103.1 Ų103.138%0.3854%0.535SS..Hα-helixtrans-60.4-44.5175.900000111.8W1197 M1198 K1204 A1205W1197-A1201 WeakPolarHBondContact O-CB 3.21Å; W1197-A1201 PolarHBondContact O-N 3.2Å; M1198-A1201 WeakPolarHBondContact O-CB 3.34Å; M1198-A1201 PolarHBondContact O-N 3.48Å; A1201-K1204 PolarHBondContact O-N 3.27Å; A1201-A1205 WeakPolarHBondContact O-CB 3.33Å; A1201-A1205 PolarHBondContact O-N 2.68Å
1202K97.6Very high92.4Very high109 Ų109102.4 Ų102.447%0.47453%0.53SS..Hα-helixtrans-62.9-40.8174.1-72.4-179-172.3163.60112.6E1194 M1198 L1200 A1205 K1206E1194-K1202 WeakPolarHBondContact OE1-CD 3.43Å; E1194-K1202 WeakPolarHBondContact OE1-CE 3.49Å; E1194-K1202 IonicContact OE1-NZ 2.72Å; E1194-K1202 PolarHBondContact OE1-NZ 3.13Å; E1194-K1202 IonicContact OE2-NZ 3.81Å; E1194-K1202 PolarHBondContact OE2-NZ 3.07Å; M1198-K1202 WeakPolarHBondContact O-CG 3.14Å; M1198-K1202 PolarHBondContact O-N 3.47Å; L1200-K1202 PolarHBondContact O-N 3.46Å; K1202-A1205 PolarHBondContact O-N 3.04Å; K1202-K1206 WeakPolarHBondContact O-CB 3.41Å; K1202-K1206 PolarHBondContact O-N 2.56Å
1203K97.6Very high94.2Very high159 Ų159100.5 Ų100.569%0.69152%0.521SS*.Hα-helixtrans-61.4-44.3173.6-80.3-177.7174.3-177.60112A1199 L1200 K1206 A1207A1199-K1203 WeakPolarHBondContact O-CG 3.44Å; A1199-K1203 PolarHBondContact O-N 3.04Å; L1200-K1203 PolarHBondContact O-N 3.29Å; K1203-K1206 PolarHBondContact O-N 3.25Å; K1203-A1207 WeakPolarHBondContact O-CB 3.49Å; K1203-A1207 PolarHBondContact O-N 2.71Å
1204K97.8Very high95.1Very high131 Ų13198.5 Ų98.557%0.5751%0.51SS*.Hα-helixtrans-65.7-47.1176.3-69.1-179.173.9173.80111.4L1200 A1201 K1206 A1207 W1208L1200-K1204 HydrophobicContact CG-CD 4.4Å; L1200-K1204 WeakPolarHBondContact O-CG 3.5Å; L1200-K1204 PolarHBondContact O-N 2.96Å; A1201-K1204 PolarHBondContact O-N 3.27Å; K1204-K1206 VanDerWaalsContact C-N 3.32Å; K1204-K1206 PolarHBondContact O-N 3.14Å; K1204-A1207 PolarHBondContact O-N 2.99Å; K1204-W1208 PolarHBondContact O-N 3.39Å
1205A97.5Very high95.3Very high64 Ų64102.1 Ų102.153%0.52953%0.534SS..Hα-helixtrans-58.3-42176.600000112.2A1201 K1202 S1209A1201-A1205 WeakPolarHBondContact O-CB 3.33Å; A1201-A1205 PolarHBondContact O-N 2.68Å; K1202-A1205 PolarHBondContact O-N 3.04Å; A1205-S1209 WeakPolarHBondContact O-CB 3.44Å; A1205-S1209 PolarHBondContact O-N 2.67Å
1206K97.5Very high94.1Very high133 Ų133110.2 Ų110.258%0.57857%0.568SS**Hα-helixtrans-62.5-50.9173.1179.7170.8172.1177.50111.5K1202 K1203 K1204 W1208 S1209 E1210K1202-K1206 WeakPolarHBondContact O-CB 3.41Å; K1202-K1206 PolarHBondContact O-N 2.56Å; K1203-K1206 PolarHBondContact O-N 3.25Å; K1204-K1206 VanDerWaalsContact C-N 3.32Å; K1204-K1206 PolarHBondContact O-N 3.14Å; K1206-W1208 VanDerWaalsContact C-N 3.28Å; K1206-W1208 PolarHBondContact O-N 2.73Å; K1206-S1209 CarbonylContact O-C 2.77Å; K1206-S1209 WeakPolarHBondContact O-CB 3.21Å; K1206-S1209 PolarHBondContact O-N 3.21Å; K1206-E1210 WeakPolarHBondContact CE-OE2 3.35Å; K1206-E1210 IonicContact NZ-OE2 2.86Å; K1206-E1210 PolarHBondContact NZ-OE2 2.79Å; K1206-E1210 WeakPolarHBondContact O-CB 3.41Å; K1206-E1210 PolarHBondContact O-N 2.84Å
1207A97.1Very high94.1Very high55 Ų55110 Ų11046%0.45556%0.559SS.*Hα-helixtrans-57.8-39.9-179.700000112.7K1203 K1204 E1210 M1211K1203-A1207 WeakPolarHBondContact O-CB 3.49Å; K1203-A1207 PolarHBondContact O-N 2.71Å; K1204-A1207 PolarHBondContact O-N 2.99Å; A1207-E1210 PolarHBondContact O-N 2.63Å; A1207-M1211 WeakPolarHBondContact O-CB 3.37Å; A1207-M1211 PolarHBondContact O-N 2.81Å
1208W96.9Very high94Very high186 Ų186106.5 Ų106.571%0.70555%0.553SS**Hα-helixtrans-71.4-29.8175.9-78.163.2000113.3K1204 K1206 M1211 P1212K1204-W1208 PolarHBondContact O-N 3.39Å; K1206-W1208 VanDerWaalsContact C-N 3.28Å; K1206-W1208 PolarHBondContact O-N 2.73Å; W1208-M1211 HydrophobicContact CD2-CE 4.36Å; W1208-P1212 WeakPolarHBondContact O-CD 3.39Å
1209S96.8Very high94Very high91 Ų91108.6 Ų108.664%0.63657%0.565SS**Hα-helixtrans-75.3-25.3171.8-173.60000113.4A1205 K1206A1205-S1209 WeakPolarHBondContact O-CB 3.44Å; A1205-S1209 PolarHBondContact O-N 2.67Å; K1206-S1209 CarbonylContact O-C 2.77Å; K1206-S1209 WeakPolarHBondContact O-CB 3.21Å; K1206-S1209 PolarHBondContact O-N 3.21Å
1210E96.6Very high93.8Very high74 Ų74112.7 Ų112.735%0.34658%0.58SS.*Hα-helixtrans-90.7-26-178.4-156.1165.4117.700111.6K1206 A1207 Q1213 I1214K1206-E1210 WeakPolarHBondContact CE-OE2 3.35Å; K1206-E1210 IonicContact NZ-OE2 2.86Å; K1206-E1210 PolarHBondContact NZ-OE2 2.79Å; K1206-E1210 WeakPolarHBondContact O-CB 3.41Å; K1206-E1210 PolarHBondContact O-N 2.84Å; A1207-E1210 PolarHBondContact O-N 2.63Å; E1210-Q1213 CarbonylContact O-C 3.57Å; E1210-Q1213 WeakPolarHBondContact O-CA 3.41Å; E1210-Q1213 WeakPolarHBondContact O-CB 3.05Å; E1210-Q1213 PolarHBondContact O-N 2.73Å; E1210-I1214 HydrophobicContact CB-CD1 4.26Å; E1210-I1214 HydrophobicContact CG-CD1 3.98Å; E1210-I1214 HydrophobicContact CG-CG1 4.41Å; E1210-I1214 WeakPolarHBondContact O-CG1 3.34Å; E1210-I1214 PolarHBondContact O-N 2.94Å
1211M95.3Very high93.7Very high90 Ų90113.4 Ų113.444%0.44358%0.583SS.*Hα-helixtrans-54.6-40.2-179.3-169.8146.658.700114.7A1207 W1208 Q1213 I1214 V1215A1207-M1211 WeakPolarHBondContact O-CB 3.37Å; A1207-M1211 PolarHBondContact O-N 2.81Å; W1208-M1211 HydrophobicContact CD2-CE 4.36Å; M1211-Q1213 PolarHBondContact O-N 2.84Å; M1211-I1214 PolarHBondContact O-N 3.1Å; M1211-I1214 VanDerWaalsContact O-N 3.07Å; M1211-V1215 HydrophobicContact CG-CG2 4.2Å; M1211-V1215 WeakPolarHBondContact O-CG2 3.48Å; M1211-V1215 PolarHBondContact O-N 3.23Å
1212P93.9Very high93.4Very high75 Ų75117.9 Ų117.949%0.48760%0.596SS.*Hα-helixtrans-64.2-17.2172.7-22.534.9000114.9W1208 Q1216W1208-P1212 WeakPolarHBondContact O-CD 3.39Å; P1212-Q1216 VanDerWaalsContact O-CG 3.3Å; P1212-Q1216 WeakPolarHBondContact O-CG 3.37Å
1213Q90.6Very high93.1Very high144 Ų144118.5 Ų118.567%0.67361%0.605SS**Hα-helixtrans-95.8-9.8174.9-50.4-172-77.400112.9E1210 M1211E1210-Q1213 CarbonylContact O-C 3.57Å; E1210-Q1213 WeakPolarHBondContact O-CA 3.41Å; E1210-Q1213 WeakPolarHBondContact O-CB 3.05Å; E1210-Q1213 PolarHBondContact O-N 2.73Å; M1211-Q1213 PolarHBondContact O-N 2.84Å
1214I87.1Confident92.8Very high119 Ų119115.4 Ų115.461%0.6160%0.598SS**Hα-helixtrans-98.5-20.6176.6-64.1165.2000110.7E1210 M1211E1210-I1214 HydrophobicContact CB-CD1 4.26Å; E1210-I1214 HydrophobicContact CG-CD1 3.98Å; E1210-I1214 HydrophobicContact CG-CG1 4.41Å; E1210-I1214 WeakPolarHBondContact O-CG1 3.34Å; E1210-I1214 PolarHBondContact O-N 2.94Å; M1211-I1214 PolarHBondContact O-N 3.1Å; M1211-I1214 VanDerWaalsContact O-N 3.07Å
1215V89.7Confident92.3Very high119 Ų119114.1 Ų114.172%0.72160%0.601SS**  trans-95.50.6178176.80000112.1M1211M1211-V1215 HydrophobicContact CG-CG2 4.2Å; M1211-V1215 WeakPolarHBondContact O-CG2 3.48Å; M1211-V1215 PolarHBondContact O-N 3.23Å
1216Q69.1Low91.9Very high219 Ų219118.6 Ų118.6100%1.02361%0.607SS**  trans-108.10173.8-74.1179.53.400110.9P1212P1212-Q1216 VanDerWaalsContact O-CG 3.3Å; P1212-Q1216 WeakPolarHBondContact O-CG 3.37Å

Retrieved 1,216 of 1,216 residues in 106.6 ms (Link to these results)