A0A5K4FAF8_SCHMA Loading...

Homeobox domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FAF8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 855 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
1M40.7Very low38.7Very low231 Ų231163.3 Ų163.3100%1.13887%0.867SS**  0-3.80-78.3-163.4-73.500111.1
2D34.6Very low38.4Very low153 Ų153163.8 Ų163.882%0.81887%0.87SS**  trans-52155.7140-41-85.8000110.6
3L40.7Very low38Very low183 Ų183160 Ų16096%0.95887%0.865SS**  trans68.191.6-165.8-56.8166.4000113.2
4G36.6Very low37.7Very low66 Ų66160.4 Ų160.468%0.6886%0.861SS**  trans-161.7-36.8177.500000116.2S6G4-S6 PolarHBondContact O-N 2.67Å
5F42.1Very low37.5Very low218 Ų218164.7 Ų164.796%0.95686%0.863SS**SBendtrans-96.962.2-175.4-83.4-84.1000113.8
6S38.2Very low37.4Very low116 Ų116162.4 Ų162.481%0.81186%0.858SS**SBendtrans-148.145.7173.6-53.80000112.4G4G4-S6 PolarHBondContact O-N 2.67Å
7K39.4Very low37.3Very low203 Ų203161.2 Ų161.288%0.88385%0.852SS**SBendtrans-165.666.5172.3-116.6171.3-172.5-179.50112.9
8L38Very low37.2Very low168 Ų168163.1 Ų163.188%0.8885%0.847SS**  trans-162.1163.9160.4-105.5167.1000107.5
9I39.2Very low37Very low167 Ų167166.1 Ų166.186%0.85685%0.848SS**  trans6264.2-169.6-40.6176.4000112.6
10N37.2Very low36.8Very low151 Ų151163.8 Ų163.881%0.80785%0.848SS**  trans-125.789.6148.1-175.832.7000106.9
11N38.5Very low36.6Very low140 Ų140161.3 Ų161.375%0.74984%0.842SS**  trans168.987.4166.3-92.2-8000109.1
12N35.3Very low36.2Very low170 Ų170156.5 Ų156.591%0.90982%0.82SS**  trans179.3123.3132.9-92.5-16.4000109.3
13S33.5Very low36.3Very low114 Ų114157.4 Ų157.480%0.79782%0.819SS**  trans-92.7123.1179.753.20000111.1
14M34.3Very low35.9Very low166 Ų166155.2 Ų155.282%0.81881%0.808SS**  trans-173.8153.5145.9-98.1-56.4167.600108.3
15Y34.5Very low35.8Very low224 Ų224159.8 Ų159.888%0.87882%0.817SS**  trans58.875.8178.6-68.3-82.5000117.5
16T35.7Very low35.5Very low129 Ų129155.6 Ų155.679%0.79181%0.809SS**  trans-126.9105.8156.153.20000110.3
17N35.5Very low35.5Very low142 Ų142155.5 Ų155.576%0.75981%0.808SS**  trans173.5134167.2-93.6-21.2000105.8
18Y34.8Very low35.4Very low194 Ų194155.5 Ų155.576%0.76181%0.808SS**SBendcis-135.4-179.719.6-94.5-87.9000113
19Y34.2Very low35.3Very low220 Ų220155.4 Ų155.486%0.86381%0.808SS**  trans73.988.5167.9-69.6-76.4000118.9
20S33Very low35.1Very low121 Ų121151.6 Ų151.685%0.84679%0.794SS**  trans-105.2137.5146.2-65.20000109.4
21P33Very low34.9Very low112 Ų112154.6 Ų154.673%0.72780%0.796SS**  trans-101.6174.4-179.337-32.8000114.7
22I31.3Very low34.6Very low130 Ų130154.7 Ų154.767%0.66780%0.796SS**  trans67.3108.9163.7-20.3179.4000117.9
23H37.6Very low34.4Very low171 Ų171153.6 Ų153.679%0.79279%0.788SS**  -177.5158101.3-100.4-74.3000113.9
24N31.6Very low34.4Very low137 Ų137154.6 Ų154.673%0.73379%0.79SS**  trans-77.7150.8-169.7-54.4-25.5000113.3
25N35.5Very low34.3Very low162 Ų162153.8 Ų153.887%0.86679%0.788SS**  -161.7149.2116.6-101.6-23000114.5
26T35.3Very low34.7Very low131 Ų131148.2 Ų148.280%0.80478%0.78SS**  trans-62.4139.9-170.953.90000117.2
27S38.5Very low34.4Very low113 Ų113151.5 Ų151.579%0.7978%0.784SS**  -167.7121.9124.460.40000114.5
28K37.8Very low34.6Very low203 Ų203152.4 Ų152.488%0.88379%0.787SS**  trans11.6117.8152.4-58.6174.8178.7178.40119.1
29L34.8Very low34.7Very low166 Ų166151.6 Ų151.687%0.86979%0.789SS**  -174.9151100.9-92.9160.2000109.7
30P34.7Very low34.5Very low88 Ų88151.3 Ų151.357%0.57179%0.788SS**  trans-91.5163.617937.7-34000112.2
31Y33.8Very low34.6Very low214 Ų214153 Ų15384%0.83979%0.788SS**  -173.3161.6114.1-97.6-65.5000111.8
32L32.1Very low34.6Very low142 Ų142151.9 Ų151.974%0.74378%0.779SS**  trans-61.8138.2-174.9-67.4138.6000111.6
33I31.2Very low34.8Very low147 Ų147152.2 Ų152.275%0.75478%0.782SS**  48.710381.8-53.8179000113.3
34T32.7Very low34.7Very low135 Ų135150.3 Ų150.383%0.82878%0.778SS**  trans-168.4110137.634.70000110.7
35D33.6Very low35Very low148 Ų148149.4 Ų149.479%0.79177%0.773SS**  trans-71.6172.1140.6-86.7-56.8000109.2
36P41.5Very low35.2Very low107 Ų107147.2 Ų147.270%0.69576%0.761SS**  cis-135.1-172.312.542.7-25.4000115.7I38P36-I38 PolarHBondContact O-N 2.63Å
37F30.8Very low35.3Very low199 Ų199147.2 Ų147.287%0.87376%0.755SS**  trans-55.2123.4164.7-76.9-110.3000113.5
38I38.4Very low35.1Very low161 Ų161146.9 Ų146.983%0.82675%0.753SS**  trans-136.5147.4150.6-67.3-171.2000109P36P36-I38 PolarHBondContact O-N 2.63Å
39H36.3Very low35.1Very low177 Ų177141.9 Ų141.982%0.81974%0.743SS**  trans-74.9158.6-176-109.153.3000114.5
40Y31.6Very low35.1Very low213 Ų213138.2 Ų138.284%0.83573%0.731SS**  trans-55.9134.8172.2-76.8-104.2000113.4T42Y40-T42 HydrophobicContact CD1-CG2 4.47Å
41N34.1Very low35.1Very low158 Ų158139.9 Ų139.985%0.84574%0.74SS**  -150.5161.5114.8-145.4-16.7000110.5
42T33.2Very low35.2Very low88 Ų88135.7 Ų135.754%0.5474%0.737SS.*  trans-113.1171.4-158.8640000115.4Y40Y40-T42 HydrophobicContact CD1-CG2 4.47Å
43N36.3Very low35.1Very low137 Ų137135 Ų13573%0.73374%0.739SS**  trans89.3140.3164.6-47.9-20.3000116.6
44N34.6Very low35.4Very low131 Ų131134.9 Ų134.970%0.70175%0.745SS**  cis-174.1155-31.3-120.319.3000109.4
45N38.5Very low35.2Very low117 Ų117134.9 Ų134.963%0.62675%0.745SS**  trans66.6151.3157.6-65.348.4000117.2
46D38.6Very low35.2Very low116 Ų116134.5 Ų134.562%0.6275%0.748SS**  cis-159.2139.5-8.9-108.1-12.3000114.1
47I38.6Very low34.7Very low132 Ų132136 Ų13668%0.67776%0.756SS**  60.2127.7129.4-61.7169.8000122.5
48S34.6Very low34.9Very low106 Ų106133.1 Ų133.174%0.74176%0.755SS**  trans74.4154.3148.574.30000120.9
49S37.4Very low34.5Very low98 Ų98131.5 Ų131.569%0.68575%0.753SS**  cis-167143.3-22.150.70000114.4
50S34.6Very low34.6Very low88 Ų88132.3 Ų132.362%0.61575%0.754SS**  71.3134.5128.667.40000124.5
51T34.3Very low34.9Very low124 Ų124129.4 Ų129.476%0.76175%0.753SS**  trans67.3151.3143.651.40000118.4
52T35.9Very low34.8Very low126 Ų126130 Ų13077%0.77375%0.751SS**  cis-148.5169.56-13.70000111.8
53T31.3Very low34.9Very low126 Ų126133.4 Ų133.477%0.77376%0.761SS**  trans-77.8146.2174.150.40000114.7
54T35.6Very low35Very low145 Ų145133.6 Ų133.689%0.8977%0.767SS**  trans-149.3141.6150.150000111.8
55T29.4Very low35.3Very low136 Ų136135.7 Ų135.783%0.83478%0.775SS**  trans-111.6133.6177.449.30000111.1
56T34.7Very low35.1Very low139 Ų139138.1 Ų138.185%0.85379%0.788SS**  trans-148.3118.5163.5190000111.1
57T29Very low35.1Very low140 Ų140140.2 Ų140.286%0.85979%0.794SS**  trans-103.5124.6170.348.30000110.2
58T35.1Very low35.1Very low137 Ų137141.2 Ų141.284%0.8480%0.795SS**  trans-149.5116.8162.20.30000111.1
59T31.5Very low35.1Very low128 Ų128143.7 Ų143.779%0.78580%0.8SS**  trans-78.9149.4171.747.90000111.5
60F37.6Very low35.1Very low194 Ų194144.7 Ų144.785%0.85180%0.802SS**  trans-159.1156.3148.8-113.5-71.2000113.3
61N38.3Very low35Very low152 Ų152145.9 Ų145.981%0.81381%0.81SS**  trans73.898168.9-62.9-13.9000117.9
62E32.5Very low34.8Very low171 Ų171148.9 Ų148.980%0.79982%0.815SS**  trans-98.9-176.3167.4-172.9-169.3-120.600109.6
63Q34.8Very low34.7Very low159 Ų159149.6 Ų149.674%0.74382%0.82SS**  trans85.798.5159.6-53.3-177.56.100118.8
64T38.5Very low34.9Very low141 Ų141151.4 Ų151.487%0.86582%0.819SS**  -158.1168.9118.51.10000110.3
65M40.9Very low34.8Very low175 Ų175152 Ų15286%0.86281%0.812SS**  trans66.783.3-179.5-55.6-53.8-66.900115.7
66N33.4Very low35Very low168 Ų168153.4 Ų153.490%0.89881%0.813SS**  trans-126.4105.1164.1-153.25.1000107.3
67E39.2Very low34.7Very low160 Ų160154.4 Ų154.475%0.74881%0.814SS**  trans-149.9135.3169.7-136.9-170.1156.100112.3
68Q39.4Very low34.9Very low153 Ų153152.6 Ų152.672%0.71581%0.807SS**  trans67.497.1171.5-46.6-1649.600115.9
69L34.3Very low34.7Very low158 Ų158156.7 Ų156.783%0.82781%0.808SS**  72125.784-92.868.5000113.1
70T35.8Very low34.5Very low119 Ų119155.8 Ų155.873%0.7381%0.807SS**  cis-157.5174.60.2-22.10000110.3
71S33.9Very low34.2Very low113 Ų113151.9 Ų151.979%0.7980%0.804SS**  trans74.669.9160.6-51.90000117.8
72Q29.3Very low33.8Very low187 Ų187153.1 Ų153.187%0.87481%0.811SS**  trans-114.7164141.3-76.8-167.53.100109.7
73T33.6Very low33.7Very low141 Ų141152.1 Ų152.187%0.86581%0.811SS**  trans73.173.9173.4-39.10000115.8
74E35Very low33.5Very low164 Ų164152.4 Ų152.477%0.76681%0.814SS**  trans-136.5153.2136.1-140.2-171.7-120.500110
75Q35.3Very low33.1Very low158 Ų158151.8 Ų151.874%0.73882%0.815SS**  trans65.663.9167.7-54.4-178.537.800117
76L31.9Very low32.6Very low164 Ų164151.7 Ų151.786%0.85982%0.815SS**  trans-48.7149130.9-70.2164.4000109.5
77N30.2Very low32.7Very low161 Ų161154.1 Ų154.186%0.86182%0.818SS**  trans9154.1-178.7-51.6-37.5000118.3
78S31.9Very low32.2Very low102 Ų102157.3 Ų157.371%0.71382%0.823SS**  trans-146.9112.5138.244.40000109.7
79Y30.2Very low31.9Very low222 Ų222158.5 Ų158.587%0.87183%0.833SS**  47.390.991.1-76.1-83.7000112
80S29.4Very low32Very low109 Ų109159.3 Ų159.376%0.76283%0.83SS**  61.272.577.6-164.60000113.5
81S29.7Very low31.8Very low113 Ų113160.3 Ų160.379%0.7983%0.83SS**  trans-175.595.8152.9-82.20000109.9
82N31.3Very low31.7Very low177 Ų177162.3 Ų162.395%0.94783%0.832SS**  trans-149.456.6164.5-101.5-32.2000109.4
83D29.8Very low31.8Very low150 Ų150157.9 Ų157.980%0.80282%0.821SS**  trans-143.5159.8171.6-153.5-22.1000108.3
84M30.4Very low31.7Very low166 Ų166157.9 Ų157.982%0.81882%0.816SS**  trans61.577.1-178.4-65.3-70.6-77.800116.5M86M84-M86 PolarHBondContact O-N 3.31Å
85S29.4Very low31.6Very low127 Ų127157.7 Ų157.789%0.88882%0.815SS**  trans-59.995.4162.3-69.10000112.8
86M30.5Very low31.5Very low174 Ų174158.6 Ų158.686%0.85782%0.819SS**  trans-176.1102.7153.5-100.8-105.9-94.500113.1M84M84-M86 PolarHBondContact O-N 3.31Å
87K36.2Very low31.3Very low218 Ų218155.6 Ų155.695%0.94881%0.812SS**  trans-164.5148.8150.9-106.2138.5-172.9170.40113.5
88R28.7Very low31.5Very low228 Ų228155.1 Ų155.186%0.8681%0.808SS**  trans-78.6133.2-171.5-62.7162.9165171.5-7.4113.8
89L32.6Very low31.4Very low177 Ų177158.7 Ų158.793%0.92781%0.813SS**  trans-143.5116.2138.7-64.1175.9000104.3
90K36.4Very low31.5Very low176 Ų176158.1 Ų158.177%0.76581%0.811SS**  cis89.5105.521.8-146.6-160.5-177.7-167.10113.3
91L31.6Very low31.5Very low140 Ų140158.6 Ų158.673%0.73381%0.805SS**  trans68.4146.9-170.7-62.9106000113.2
92D32.9Very low31.7Very low155 Ų155158.1 Ų158.183%0.82980%0.802SS**  cis-106.3170.413-86.9-51.9000116.8
93S30Very low31.8Very low93 Ų93154 Ų15465%0.6579%0.787SS**  trans-97.9145.4-175.455.40000113.8
94N32.7Very low32Very low142 Ų142158 Ų15876%0.75979%0.791SS**  -163.5137.7129.4-105.1-36.8000115.8
95Q33.5Very low32.1Very low160 Ų160154.8 Ų154.875%0.74879%0.785SS**  trans71.4123.1146.1-69.4170.7-1900123
96H33Very low32.2Very low176 Ų176154.7 Ų154.782%0.81578%0.783SS**  trans69.385.1153.1-67.1-52.7000121.5
97S27.2Very low32.2Very low101 Ų101154 Ų15471%0.70678%0.783SS**  trans-56.2144.1148.9-35.50000112.7
98I33.2Very low32.1Very low152 Ų152148.7 Ų148.778%0.77977%0.773SS**  trans-128.399.5149.2-60.8-179.6000106.5Y100I98-Y100 HydrophobicContact CG2-CD2 4.19Å; I98-Y100 HydrophobicContact CG2-CE2 4.35Å
99E30.5Very low32.3Very low176 Ų176143.7 Ų143.782%0.82277%0.768SS**  trans-78.8129.1171-71.3174111.500109.5
100Y32.9Very low32.3Very low210 Ų210143 Ų14382%0.82477%0.765SS**  trans-103.582164.2-107.5-85.8000109.2I98I98-Y100 HydrophobicContact CG2-CD2 4.19Å; I98-Y100 HydrophobicContact CG2-CE2 4.35Å
101D30Very low32.4Very low120 Ų120139.6 Ų139.664%0.64276%0.764SS**  trans-64.1139.8168.1-169.2-8.4000109.5S103D101-S103 VanDerWaalsContact CG-OG 3.25Å; D101-S103 VanDerWaalsContact OD1-CB 3.22Å; D101-S103 WeakPolarHBondContact OD1-CB 3.33Å; D101-S103 PolarHBondContact OD1-N 3.35Å; D101-S103 PolarHBondContact OD1-OG 3.17Å; D101-S103 PolarHBondContact OD2-OG 2.89Å; D101-S103 VanDerWaalsContact OD2-OG 3.08Å
102S33.9Very low32.5Very low102 Ų102141.2 Ų141.271%0.71377%0.771SS**  trans-140.935173.6-760000112R104S102-R104 PolarHBondContact O-N 2.78Å
103S32Very low32.9Very low92 Ų92139.1 Ų139.164%0.64376%0.764SS**  trans-66.845.4164.9600000113.4D101 S105D101-S103 VanDerWaalsContact CG-OG 3.25Å; D101-S103 VanDerWaalsContact OD1-CB 3.22Å; D101-S103 WeakPolarHBondContact OD1-CB 3.33Å; D101-S103 PolarHBondContact OD1-N 3.35Å; D101-S103 PolarHBondContact OD1-OG 3.17Å; D101-S103 PolarHBondContact OD2-OG 2.89Å; D101-S103 VanDerWaalsContact OD2-OG 3.08Å; S103-S105 PolarHBondContact O-N 2.97Å
104R34.8Very low33.1Very low232 Ų232139.8 Ų139.888%0.87577%0.766SS**  trans-75.5108.7175.3-79-166.8172.5-161.2-1.8110.9S102 C106S102-R104 PolarHBondContact O-N 2.78Å; R104-C106 PolarHBondContact O-N 2.77Å
105S31.7Very low33.1Very low100 Ų100138.6 Ų138.670%0.69977%0.767SS**  trans-64.2110.3176.944.40000112.1S103 N107S103-S105 PolarHBondContact O-N 2.97Å; S105-N107 PolarHBondContact O-N 3.45Å
106C31.6Very low33.3Very low125 Ų125138.1 Ų138.185%0.84577%0.77SS**  trans-75.758.2172.7-690000112.3R104 S108R104-C106 PolarHBondContact O-N 2.77Å; C106-S108 PolarHBondContact O-N 3.25Å
107N30.2Very low33.7Very low160 Ų160137 Ų13786%0.85677%0.769SS**  trans-75.574167.5-83.1-10.6000110S105S105-N107 PolarHBondContact O-N 3.45Å
108S35.6Very low34.4Very low106 Ų106143 Ų14374%0.74178%0.776SS**  trans-141.8114.8165.6-168.60000109.8C106C106-S108 PolarHBondContact O-N 3.25Å
109T32.4Very low34.5Very low122 Ų122139.7 Ų139.775%0.74877%0.772SS**  trans-67.9149.4172.847.30000110.7
110N33.2Very low35Very low163 Ų163137.8 Ų137.887%0.87276%0.763SS**  trans88.764178.6-48.5-22.6000116.1
111S36.7Very low35.3Very low105 Ų105132.9 Ų132.973%0.73475%0.751SS**  trans-148.7127.4146.1-172.30000110.1V113S111-V113 PolarHBondContact O-N 2.8Å
112I34.3Very low35.8Very low174 Ų174133.2 Ų133.289%0.89275%0.753SS**  trans-101.974.1-177.8-53.4178.2000109.1
113V40.7Very low36.3Very low111 Ų111135.2 Ų135.267%0.67375%0.751SS**  trans-144.4121.2169.1-171.60000109.4S111S111-V113 PolarHBondContact O-N 2.8Å
114P35.3Very low37Very low107 Ų107136.1 Ų136.170%0.69575%0.747SS**  trans-66.8142.5171.3-19.833.1000112.1D116P114-D116 VanDerWaalsContact C-N 3.33Å; P114-D116 PolarHBondContact O-N 2.91Å
115C32.3Very low37.3Very low117 Ų117130.5 Ų130.579%0.79173%0.734SS**SBendtrans-78.8-6.5-171.1-65.10000115.7L117C115-L117 PolarHBondContact O-N 3.24Å
116D38.8Very low37.8Very low150 Ų150133.9 Ų133.980%0.80273%0.733SS**THydrogen-bonded Turntrans-78.635.1-166.6-63.6-45.3000115.9P114P114-D116 VanDerWaalsContact C-N 3.33Å; P114-D116 PolarHBondContact O-N 2.91Å
117L41.4Very low38.4Very low151 Ų151132.6 Ų132.679%0.79172%0.718SS**THydrogen-bonded Turntrans-136.811.1-179.9-75.1176.8000115.1C115 N121C115-L117 PolarHBondContact O-N 3.24Å; L117-N121 PolarHBondContact O-ND2 3.22Å
118R40Very low39.2Very low227 Ų227130 Ų13086%0.85770%0.703SS**SBendtrans-105.20.6-172.4-156161.6179.9148.6-0.1116
119A36.1Very low39.5Very low84 Ų84128.4 Ų128.469%0.69469%0.686SS**SBendtrans-94.7-47.1-177.800000114.7N121A119-N121 VanDerWaalsContact C-N 3.28Å; A119-N121 PolarHBondContact O-N 3.41Å
120E40.7Very low40.1Very low136 Ų136128.4 Ų128.464%0.63668%0.677SS**G310 helixtrans-68.9-17.1-170.7-63.6-171.5172.800115N122 E123E120-N122 PolarHBondContact O-N 3.33Å; E120-N122 VanDerWaalsContact O-N 3.15Å; E120-E123 PolarHBondContact O-N 2.85Å
121N39.1Very low40.7Very low106 Ų106128 Ų12857%0.56767%0.67SS**G310 helixtrans-71.3-9.2-173.6-69.3-56.2000114.5L117 A119L117-N121 PolarHBondContact O-ND2 3.22Å; A119-N121 VanDerWaalsContact C-N 3.28Å; A119-N121 PolarHBondContact O-N 3.41Å
122N40.1Very low40.9Very low128 Ų128129.9 Ų129.968%0.68467%0.671SS**G310 helixtrans-88.8-22.5179.9-73.6-4.3000113.7E120 I124E120-N122 PolarHBondContact O-N 3.33Å; E120-N122 VanDerWaalsContact O-N 3.15Å; N122-I124 VanDerWaalsContact C-N 3.34Å; N122-I124 PolarHBondContact O-N 2.83Å
123E44.3Very low41Very low143 Ų143127.3 Ų127.367%0.66866%0.659SS**THydrogen-bonded Turntrans-69-33.7-177.1-62.1-175.2142.400112.1E120 N125 Y126E120-E123 PolarHBondContact O-N 2.85Å; E123-N125 PolarHBondContact O-N 3.44Å; E123-N125 VanDerWaalsContact O-N 3.13Å; E123-Y126 PolarHBondContact O-N 3.08Å
124I46.9Very low41Very low112 Ų112127 Ų12757%0.57466%0.658SS**Hα-helixtrans-61.8-26.1-174.6-58.6175.5000112.7N122N122-I124 VanDerWaalsContact C-N 3.34Å; N122-I124 PolarHBondContact O-N 2.83Å
125N41.5Very low41Very low113 Ų113129 Ų12960%0.60466%0.662SS**Hα-helixtrans-85.5-12.6177-85.6-17.4000114E123 N129E123-N125 PolarHBondContact O-N 3.44Å; E123-N125 VanDerWaalsContact O-N 3.13Å; N125-N129 PolarHBondContact O-ND2 2.74Å
126Y42Very low41.2Very low172 Ų172130 Ų13068%0.67566%0.66SS**Hα-helixtrans-82.2-45.8-177.6-119.2-92.4000112.2E123 I128 N129 H130E123-Y126 PolarHBondContact O-N 3.08Å; Y126-I128 PolarHBondContact O-N 3.3Å; Y126-N129 PolarHBondContact O-N 3.22Å; Y126-H130 PolarHBondContact O-N 3Å
127D45.6Very low40.7Very low98 Ų98129.9 Ų129.952%0.52466%0.659SS.*Hα-helixtrans-64.2-35.8-177.2-80.5-22.8000113.8N129 H130 Q131D127-N129 VanDerWaalsContact C-N 3.3Å; D127-N129 PolarHBondContact O-N 3.11Å; D127-H130 PolarHBondContact O-N 3.16Å; D127-H130 VanDerWaalsContact O-N 3.13Å; D127-Q131 PolarHBondContact O-N 3.36Å; D127-Q131 VanDerWaalsContact O-N 3.09Å
128I47Very low40.6Very low104 Ų104128.8 Ų128.853%0.53366%0.659SS.*Hα-helixtrans-63.7-37.7-179.9-61.6175.8000110.9Y126Y126-I128 PolarHBondContact O-N 3.3Å
129N41.5Very low40.4Very low73 Ų73127.2 Ų127.239%0.3966%0.661SS.*Hα-helixtrans-77.3-24.1176.6-69.5-77.3000112.2N125 Y126 D127 Y157N125-N129 PolarHBondContact O-ND2 2.74Å; Y126-N129 PolarHBondContact O-N 3.22Å; D127-N129 VanDerWaalsContact C-N 3.3Å; D127-N129 PolarHBondContact O-N 3.11Å; N129-Y157 PolarHBondContact ND2-OH 3.28Å; N129-Y157 VanDerWaalsContact ND2-OH 3.11Å; N129-Y157 PolarHBondContact OD1-OH 3.37Å
130H45.1Very low40.3Very low123 Ų123128.6 Ų128.657%0.56967%0.666SS**Hα-helixtrans-82.1-32-179.1-119-63.2000114.2Y126 D127Y126-H130 PolarHBondContact O-N 3Å; D127-H130 PolarHBondContact O-N 3.16Å; D127-H130 VanDerWaalsContact O-N 3.13Å
131Q45.4Very low40Very low154 Ų154129.3 Ų129.372%0.7267%0.671SS**Hα-helixtrans-77.7-23.1178.6-66.9-174.828.300113.7D127 N133D127-Q131 PolarHBondContact O-N 3.36Å; D127-Q131 VanDerWaalsContact O-N 3.09Å; Q131-N133 VanDerWaalsContact C-N 3.32Å; Q131-N133 PolarHBondContact O-N 3.46Å
132L40.4Very low39.9Very low144 Ų144131.6 Ų131.675%0.75468%0.678SS**THydrogen-bonded Turntrans-81.4-5.9177.7-73.9170.5000114.2
133N36.9Very low39.7Very low120 Ų120131.5 Ų131.564%0.64268%0.677SS**THydrogen-bonded Turntrans-117.221.7-166.4-151.714.1000114.6Q131Q131-N133 VanDerWaalsContact C-N 3.32Å; Q131-N133 PolarHBondContact O-N 3.46Å
134V39.9Very low39.3Very low106 Ų106130.7 Ų130.764%0.64268%0.677SS**SBendtrans-106.7-17.5-174.21790000113.6
135N36.6Very low38.6Very low148 Ų148131.8 Ų131.879%0.79169%0.685SS**SBendtrans-100.65.4-166.5-721.9000116.5
136N35.3Very low38.2Very low139 Ų139133.8 Ų133.874%0.74370%0.695SS**  trans-123.635.5-167.6-75.8-23.3000115.3
137N29.6Very low37.8Very low147 Ų147131.7 Ų131.779%0.78670%0.701SS**  trans-135.166.3-175.9-86.5-46.5000115
138T37.7Very low37.1Very low127 Ų127134 Ų13478%0.77971%0.712SS**  trans-149133162.548.10000111.4
139Q36.7Very low36.4Very low195 Ų195136.6 Ų136.691%0.91172%0.722SS**  trans68.3146.8178.1-52.5-178.116.700115.5
140S34.1Very low35.9Very low112 Ų112141.7 Ų141.778%0.78374%0.743SS**  cis-155.9161.5-26.8-167.10000110.3
141M34.8Very low35.4Very low151 Ų151142.6 Ų142.674%0.74476%0.757SS**  trans-35.2140.3-177.6-63.1-64.9-173.200119
142H36.3Very low34.8Very low155 Ų155140.2 Ų140.272%0.71876%0.758SS**  trans48.7129.8139.5-63.673.8000118.7
143N35.7Very low34.4Very low126 Ų126141.8 Ų141.867%0.67476%0.761SS**  cis-172.8163.332.2-120.4-8.5000112.7
144N36.1Very low34.3Very low125 Ų125142 Ų14267%0.66877%0.766SS**  trans64.786.1151.5-62.7-14.9000122.1
145N32.1Very low34Very low136 Ų136142.3 Ų142.373%0.72777%0.768SS**  52.6133.1114.1-60.3-8.3000123.2
146N32.6Very low33.8Very low154 Ų154141 Ų14182%0.82476%0.761SS**  trans73.7125.2158.7-51.5-21.4000115.4
147T35.5Very low33.6Very low129 Ų129142.8 Ų142.879%0.79176%0.759SS**  cis-140.1154.521.948.50000114.7
148L30Very low33.8Very low147 Ų147141.5 Ų141.577%0.7775%0.752SS**  trans1.4141.5130.4-100.869000117
149E31.7Very low33.7Very low158 Ų158143.9 Ų143.974%0.73875%0.752SS**  cis-146.5-179.119.1-58.2-173.2127.100113.7
150H31.1Very low33.6Very low180 Ų180145.1 Ų145.183%0.83375%0.748SS**  trans68.169.5151.3-94.5-78.6000120.9
151V35Very low33.8Very low142 Ų142147.5 Ų147.586%0.86175%0.747SS**  trans-135137.8144.4-176.30000109.8
152S31.9Very low33.9Very low104 Ų104149.3 Ų149.373%0.72775%0.75SS**  trans-88.9111.3-172.844.30000113.8V154S152-V154 PolarHBondContact O-N 3.09Å
153H32.7Very low33.9Very low177 Ų177149.3 Ų149.382%0.81976%0.755SS**  trans-70.6108.7163.9-83.4-87000110.6T155H153-T155 VanDerWaalsContact C-N 3.28Å; H153-T155 PolarHBondContact O-N 2.68Å
154V35Very low33.8Very low123 Ų123149.4 Ų149.475%0.74576%0.755SS**  trans-77.380.3171.4-176.20000109.7S152 N156S152-V154 PolarHBondContact O-N 3.09Å; V154-N156 PolarHBondContact O-N 3.44Å
155T34.2Very low33.7Very low113 Ų113148.9 Ų148.969%0.69376%0.761SS**  trans-71.888168.741.80000109.7H153 Y157H153-T155 VanDerWaalsContact C-N 3.28Å; H153-T155 PolarHBondContact O-N 2.68Å; T155-Y157 PolarHBondContact O-N 3.07Å
156N31.5Very low33.8Very low121 Ų121151.5 Ų151.565%0.64776%0.763SS**  trans-75.337.8-176.9-153.1-4.6000114.3V154 N158V154-N156 PolarHBondContact O-N 3.44Å; N156-N158 PolarHBondContact O-N 3.19Å
157Y31.4Very low34Very low176 Ų176149.2 Ų149.269%0.6976%0.756SS**THydrogen-bonded Turntrans-85.543.2171.8-103.3-84.9000111.1N129 T155N129-Y157 PolarHBondContact ND2-OH 3.28Å; N129-Y157 VanDerWaalsContact ND2-OH 3.11Å; N129-Y157 PolarHBondContact OD1-OH 3.37Å; T155-Y157 PolarHBondContact O-N 3.07Å
158N34.2Very low34.1Very low120 Ų120150.8 Ų150.864%0.64276%0.758SS**THydrogen-bonded Turntrans-147.66.2-176.5-109-44.7000117.1N156 W160N156-N158 PolarHBondContact O-N 3.19Å; N158-W160 VanDerWaalsContact C-N 3.29Å; N158-W160 PolarHBondContact O-N 3.29Å
159F34.1Very low34.3Very low178 Ų178151.8 Ų151.878%0.78176%0.756SS**THydrogen-bonded Turntrans-72.4-15.3-176.3-158.1-103.4000115
160W36.2Very low34.5Very low220 Ų220149.5 Ų149.583%0.83376%0.755SS**THydrogen-bonded Turntrans-89.6-8.2-174.9-96.399.3000116.1N158N158-W160 VanDerWaalsContact C-N 3.29Å; N158-W160 PolarHBondContact O-N 3.29Å
161H37.4Very low34.6Very low163 Ų163150.9 Ų150.976%0.75575%0.754SS**THydrogen-bonded Turntrans-92.76.5-173.5-92.8-77.1000116
162K37.2Very low34.6Very low188 Ų188151.7 Ų151.782%0.81775%0.748SS**THydrogen-bonded Turntrans-115.410.3-172.7-131.2175.1-174.8178.90116.9
163L36.1Very low34.7Very low156 Ų156154.7 Ų154.782%0.81775%0.75SS**SBendtrans-125.2-1.1176.1-76.2175000115.4
164N33.6Very low34.8Very low127 Ų127150.9 Ų150.968%0.67974%0.74SS**  trans-10742.9176.3-80.2-23.1000112.7Y166N164-Y166 PolarHBondContact O-N 3.32Å
165S34.4Very low34.5Very low114 Ų114153.7 Ų153.780%0.79775%0.747SS**  trans-77.860.9168.2-60.80000111.4
166Y33.8Very low34.5Very low192 Ų192154.4 Ų154.475%0.75375%0.752SS**  trans-113.8136.4166.3-86.6-90.8000109N164 I168N164-Y166 PolarHBondContact O-N 3.32Å; Y166-I168 PolarHBondContact O-N 3.03Å
167P38Very low34.8Very low105 Ų105155.5 Ų155.568%0.68276%0.763SS**  trans-70.7117.7-169.427-34.4000112.1F169P167-F169 HydrophobicContact CG-CE2 4.47Å; P167-F169 PolarHBondContact O-N 2.96Å
168I36.7Very low34.7Very low163 Ų163155.9 Ų155.984%0.83677%0.77SS**  trans-77.4103167.7-60175.1000107.7Y166 P170Y166-I168 PolarHBondContact O-N 3.03Å; I168-P170 WeakPolarHBondContact O-CD 3.5Å
169F33.1Very low34.8Very low168 Ų168157.5 Ų157.574%0.73778%0.779SS**  trans-71.8124.9172.9-91-88.3000111P167 Y171P167-F169 HydrophobicContact CG-CE2 4.47Å; P167-F169 PolarHBondContact O-N 2.96Å; F169-Y171 PolarHBondContact O-N 3.17Å
170P37.8Very low34.6Very low109 Ų109153.4 Ų153.471%0.70877%0.772SS**  trans-83.8105.5178.732-32.5000111.3I168 H172I168-P170 WeakPolarHBondContact O-CD 3.5Å; P170-H172 PolarHBondContact O-N 3.17Å; P170-H172 VanDerWaalsContact O-N 3.08Å
171Y31.7Very low34.6Very low210 Ų210148.7 Ų148.782%0.82477%0.768SS**  trans-77.692.8171.3-104.7-83.8000111.4F169 H173F169-Y171 PolarHBondContact O-N 3.17Å; Y171-H173 PolarHBondContact O-N 2.79Å
172H35.9Very low34.5Very low158 Ų158147.7 Ų147.773%0.73177%0.769SS**  trans-75.3104.7171.5-125-99.8000110.1P170 T174P170-H172 PolarHBondContact O-N 3.17Å; P170-H172 VanDerWaalsContact O-N 3.08Å; H172-T174 PolarHBondContact O-N 3.48Å
173H32.7Very low34.4Very low167 Ų167144.3 Ų144.377%0.77376%0.763SS**  trans-86.780169.4-104.2-55.6000110.8Y171Y171-H173 PolarHBondContact O-N 2.79Å
174T35.6Very low34.4Very low97 Ų97142.5 Ų142.560%0.59576%0.759SS**  trans-79.911716749.70000110.1H172 T176H172-T174 PolarHBondContact O-N 3.48Å; T174-T176 PolarHBondContact O-N 3.09Å
175M28.1Very low34.7Very low183 Ų183141.7 Ų141.790%0.90176%0.759SS**  trans-78.3109.3169.6-74.6-71.717900109.8
176T36Very low34.8Very low128 Ų128143 Ų14379%0.78576%0.757SS**  trans-131.5139.4168.635.70000110.3T174T174-T176 PolarHBondContact O-N 3.09Å
177T36.3Very low35Very low143 Ų143139.7 Ų139.788%0.87775%0.753SS**  trans-85.3150.2-168.243.10000113.1N179T177-N179 PolarHBondContact O-N 3.36Å
178H30.5Very low35Very low184 Ų184140.1 Ų140.185%0.85275%0.749SS**  trans-65.6130.5178.4-67.2-81.4000113.2
179N35.4Very low35Very low154 Ų154138.8 Ų138.882%0.82474%0.744SS**  trans-162.6120.5138-92.3-38.3000106T177T177-N179 PolarHBondContact O-N 3.36Å
180S29.6Very low35.1Very low92 Ų92137.7 Ų137.764%0.64375%0.745SS**  cis119.1138.435.6-85.90000107.6
181T37Very low34.9Very low121 Ų121139.9 Ų139.974%0.74275%0.751SS**  trans79.1118.2173.469.30000119.9
182N34.1Very low35.1Very low143 Ų143136.5 Ų136.577%0.76575%0.747SS**  67.5143.6128.1-56.4-0.4000119.7
183T36.3Very low35Very low116 Ų116136.8 Ų136.871%0.71275%0.749SS**  cis-161.1160.71.92.10000111.5
184T35.7Very low35Very low118 Ų118136.5 Ų136.572%0.72475%0.751SS**  trans7.8148.3150.253.60000120.8
185T39.3Very low34.9Very low111 Ų111136.7 Ų136.768%0.68176%0.756SS**  cis-173.4158.834.8-13.60000112.2
186N36.3Very low35.1Very low142 Ų142133.8 Ų133.876%0.75974%0.744SS**  trans58.5154.2146.7-79.3-6.5000121.7
187N38.2Very low34.9Very low122 Ų122138.1 Ų138.165%0.65275%0.748SS**  cis-164.3165.6-31.4-151.13.7000111
188N37.8Very low34.7Very low113 Ų113141.4 Ų141.460%0.60475%0.746SS**  trans61.3101155.6-66.1-17.8000121.7
189N36.5Very low34.9Very low136 Ų136137.8 Ų137.873%0.72773%0.733SS**  73.9145.5118-60.7-5.5000123
190N35.6Very low34.9Very low144 Ų144141.4 Ų141.477%0.7774%0.735SS**  trans6285159.5-60.5-0.3000117.4
191N34.8Very low35Very low155 Ų155147.3 Ų147.383%0.82975%0.745SS**  -162.8164.4119-103.9-43000113.3
192N34.8Very low34.8Very low140 Ų140149.9 Ų149.975%0.74975%0.75SS**  trans-56.7130.4-179.7-52-56.2000112.4
193H35.1Very low34.7Very low164 Ų164147.7 Ų147.776%0.75975%0.745SS**  173.9149.1122-105.4-91000112.1
194I32.7Very low34.4Very low160 Ų160149.2 Ų149.282%0.82175%0.749SS**  trans52.994.2153.5-57.5159.3000115.7
195S31.8Very low34.3Very low101 Ų101149.3 Ų149.371%0.70675%0.75SS**  trans-145.4143.5163.2-179.50000110.4
196N32.4Very low33.8Very low122 Ų122147.8 Ų147.865%0.65275%0.748SS**  trans55.554.5167.1-61.96.2000118
197Y31.7Very low33.7Very low219 Ų219150.8 Ų150.886%0.85976%0.755SS**SBendtrans-87.8137.7135.2-133.6-96.9000107.3
198Y32.1Very low33.5Very low212 Ų212155.8 Ų155.883%0.83177%0.765SS**SBendtrans65.668.2-163.3-65.4-87.5000115.4
199D35.2Very low33.1Very low108 Ų108161.1 Ų161.158%0.57878%0.778SS**  trans-146.573.9147.3-128.4-25.2000112.6
200R35.4Very low33.1Very low230 Ų230160.1 Ų160.187%0.86878%0.779SS**SBendtrans-151.1120.4167.6-141.4172.3-167159.74.8107.4
201Y32.1Very low33.1Very low217 Ų217161.5 Ų161.585%0.85178%0.78SS**SBendtrans70.159.5-170.4-55-82.7000116.9
202M32.6Very low33.2Very low174 Ų174160.4 Ų160.486%0.85778%0.782SS**  trans-168.273.5133.6-91.3-40.5144.400112.1
203C32.3Very low33.3Very low97 Ų97158.1 Ų158.166%0.65578%0.776SS**  trans-146.6160.5164.2-94.80000110
204N30.2Very low33.3Very low149 Ų149157.4 Ų157.480%0.79778%0.778SS**  trans66.189.2-162.8-54.8-18.8000111.2
205T32.5Very low33.4Very low120 Ų120157.4 Ų157.474%0.73678%0.78SS**  cis55.995.719.865.80000115.2
206A30.2Very low33.8Very low79 Ų79158.2 Ų158.265%0.65378%0.783SS**  trans66.4154.2-176.100000113
207F34.6Very low34Very low205 Ų205156 Ų15690%0.89978%0.781SS**  cis-125.2168.922.6-98.1-101.1000115.5
208R33.2Very low34.2Very low226 Ų226155.6 Ų155.685%0.85378%0.78SS**PPolyproline II helixtrans-63.2151.3167.4-60.3175.5178.7-178.4-1.4110.2P210R208-P210 WeakPolarHBondContact O-CD 3.46Å
209Y29.3Very low34.3Very low226 Ų226152.2 Ų152.289%0.88678%0.776SS**PPolyproline II helixtrans-52.8124.7158.9-90.5-94.7000110.3
210P37.5Very low34.4Very low115 Ų115154.1 Ų154.175%0.74779%0.786SS**PPolyproline II helixtrans-71.6134.8164-12.929.4000109.4R208R208-P210 WeakPolarHBondContact O-CD 3.46Å
211H34.7Very low34.4Very low173 Ų173147.6 Ų147.680%0.80178%0.775SS**PPolyproline II helixtrans-69.2129.7164.3-98.2-96.9000109.3S213H211-S213 PolarHBondContact O-N 3.45Å; H211-S213 VanDerWaalsContact O-N 3.16Å
212P37.1Very low34.6Very low132 Ų132144.9 Ų144.986%0.85777%0.774SS**  trans-74.4102.6164.529.9-31.3000108.8
213S37.2Very low34.9Very low91 Ų91144.3 Ų144.364%0.63677%0.767SS**  trans-121.6120.1175.1640000112.3H211H211-S213 PolarHBondContact O-N 3.45Å; H211-S213 VanDerWaalsContact O-N 3.16Å
214N35.2Very low35.5Very low149 Ų149145.7 Ų145.780%0.79778%0.775SS**  trans69.399.3152.6-58.6-11.7000119.7
215N33.9Very low36.4Very low160 Ų160143.8 Ų143.886%0.85677%0.77SS**  78.5159.5125-89.72.3000120.7
216P40Very low36.5Very low118 Ų118147.7 Ų147.777%0.76677%0.773SS**  trans-126.7175.8-140.644.2-31.6000114.9
217A36.8Very low37Very low76 Ų76150 Ų15063%0.62878%0.781SS**  trans-154.2129.4169.500000112.8
218Y36.5Very low37.1Very low211 Ų211144.4 Ų144.483%0.82777%0.773SS**  trans61112.7159.4-52.9-57.9000118.8
219N32.9Very low37.5Very low141 Ų141140.5 Ų140.575%0.75478%0.775SS**  75.313785.9-97.5-18.3000113.7
220L37.3Very low37.9Very low148 Ų148133.2 Ų133.278%0.77577%0.768SS**  cis-135.2167.619.4-74.592.2000114.7
221S36.4Very low38Very low93 Ų93134.6 Ų134.665%0.6577%0.774SS**  trans-3.9152.215462.30000120.6
222I37Very low38.3Very low159 Ų159132 Ų13282%0.81577%0.773SS**  cis-145151.647.2-70.1171.2000112.8
223F38.2Very low38.3Very low162 Ų162131.3 Ų131.371%0.71177%0.771SS**  trans-95165.1179.2-83.7-92.1000113.7
224P45.9Very low38.1Very low127 Ų127134.5 Ų134.583%0.82578%0.775SS**  -114.3164.497.9-10.829.7000115
225P47.1Very low38Very low108 Ų108136.3 Ų136.370%0.70177%0.772SS**  trans-111.2167.8-153.341.1-35.7000117.8
226Y36.1Very low38.1Very low202 Ų202137.7 Ų137.779%0.79277%0.767SS**  trans-62.7170.9162.4-71-101000112.7
227P40.5Very low37.9Very low127 Ų127138.7 Ų138.783%0.82576%0.761SS**  -13615595.738-28.3000114.6
228A36.1Very low38Very low88 Ų88141.5 Ų141.573%0.72776%0.761SS**  trans-129.7111.6172.400000111.5
229T41Very low38.2Very low145 Ų145137.4 Ų137.489%0.8975%0.749SS**  trans-156.9147.6170.851.60000106.5
230G38.4Very low38.6Very low72 Ų72137.1 Ų137.174%0.74274%0.743SS**  cis-168.4-172.62.500000108.1
231V39.4Very low38.7Very low144 Ų144137.4 Ų137.487%0.87374%0.741SS**  trans-98.8-174.1-168.7-142.10000112.2
232P41.1Very low38.8Very low120 Ų120139.8 Ų139.878%0.77974%0.741SS**  -103.1171.2-114.841.2-28.7000115.1
233S36.7Very low38.9Very low117 Ų117140 Ų14082%0.81874%0.739SS**  trans-163.1173.3135.4-154.80000113.3
234H33.6Very low39Very low157 Ų157136.7 Ų136.773%0.72774%0.735SS**  trans-68.1173.4175.4-75.3-124.3000114.6
235Y32.9Very low38.6Very low187 Ų187139.8 Ų139.873%0.73374%0.739SS**  trans98.8135.8130.3-101.2-57.2000120.1
236Y35.6Very low38.3Very low190 Ų190137.5 Ų137.575%0.74574%0.735SS**  trans61.2130.4174.5-66.2-91.3000117.2
237H36.9Very low38.4Very low139 Ų139136.6 Ų136.664%0.64474%0.738SS**  cis95.5103.627170.894.3000114.5
238H38.2Very low38.4Very low134 Ų134134.4 Ų134.462%0.6273%0.726SS**  trans-172.6125.6137.4-11122.8000109.2
239Q41.4Very low38.4Very low126 Ų126136.7 Ų136.759%0.58973%0.726SS**  85.2152.1102.9-77.6-173.1-2.700114.2
240Q40.7Very low38.1Very low135 Ų135136.9 Ų136.963%0.63172%0.72SS**  cis-152.5123.19.9-138.6169.846.700112.9
241Q38.6Very low38.1Very low153 Ų153141.9 Ų141.972%0.71573%0.726SS**  trans54.9167.4144-53.9170.610.300119.4
242Q40Very low37.8Very low143 Ų143139.8 Ų139.867%0.66872%0.718SS**  cis-144.5158.818.5-73179.7-3.900113.5
243H38.7Very low37.5Very low165 Ų165142.8 Ų142.876%0.76472%0.722SS**  trans68.7143.6157.9-60.2162.6000119.8
244S39Very low37.5Very low91 Ų91141.4 Ų141.464%0.63671%0.712SS**  cis-164.2137.8-14.1-98.90000113.1
245Q37.8Very low37.6Very low192 Ų192142.5 Ų142.590%0.89771%0.714SS**  trans54149.1154.6-61.3-177.4-16.600120.2
246G40.9Very low37.6Very low60 Ų60140.6 Ų140.662%0.61972%0.716SS**  cis-152.4150.8-5.300000109.9
247E39.3Very low37.4Very low183 Ų183135.9 Ų135.986%0.85571%0.711SS**  67.1138.3102.9-68-173.5-159.800116.5
248S39.7Very low37.2Very low81 Ų81135.8 Ų135.857%0.56672%0.715SS**  cis-167.2172-17.555.50000109.6
249N36.7Very low37Very low136 Ų136135.6 Ų135.673%0.72772%0.723SS**  trans70.4124.8165.2-55.2-33.7000116.1
250I34.8Very low36.6Very low150 Ų150138.4 Ų138.477%0.76973%0.734SS**  cis63.5112.232.7-42.4174.5000109.9
251M37.4Very low36.6Very low176 Ų176138 Ų13887%0.86774%0.744SS**  -160.9176.960.4-155.7142.759.500112.9
252S33.4Very low36.4Very low101 Ų101134.2 Ų134.271%0.70673%0.734SS**  trans-91.2137.9-178.655.40000114.4
253E35.7Very low36.1Very low183 Ų183136.5 Ų136.586%0.85574%0.742SS**  trans-167.5133138.4-103.9168.3-16100106.9
254S35.6Very low36.1Very low87 Ų87136.5 Ų136.561%0.60875%0.746SS**  cis101.413147.7109.20000113.2
255K36.4Very low35.7Very low180 Ų180139.1 Ų139.178%0.78375%0.752SS**  trans70.7121.2156.9-68.8173.7-178.4169.10121.2
256L32.5Very low35.6Very low147 Ų147136.4 Ų136.477%0.7775%0.749SS**  73.6102.6127.5-64.2171.3000121
257S30.6Very low35.3Very low91 Ų91137.5 Ų137.564%0.63675%0.747SS**  86.7162.3114.877.60000120.8
258N33.6Very low35Very low138 Ų138137.6 Ų137.674%0.73875%0.747SS**  trans81.498.1155.8-61.9-15.1000120.1
259T34.6Very low34.9Very low129 Ų129140.1 Ų140.179%0.79176%0.76SS**  96.8132.3119.2-55.60000118.7
260F32.1Very low34.7Very low185 Ų185138.8 Ų138.881%0.81176%0.761SS**  trans-62.6162.7171.7-76.5-97.1000112.6
261P42.1Very low34.9Very low128 Ų128139.6 Ų139.683%0.83177%0.766SS**  -121.5160.3113.235.3-34000113.3
262S34.1Very low34.7Very low73 Ų73136.4 Ų136.451%0.5176%0.761SS.*  trans-124.7-173.9179.754.40000110.9
263F33.4Very low35.1Very low191 Ų191137.5 Ų137.584%0.83877%0.766SS**  trans75.9154179.1-40.5-66.9000113.1
264I37.6Very low34.9Very low164 Ų164136 Ų13684%0.84176%0.763SS**  cis-132.9155.524.6-69.4171000112.4
265N30.8Very low35.1Very low146 Ų146138.3 Ų138.378%0.78177%0.773SS**  trans-84.5144175.9-66.2-41.4000114.2
266V36.8Very low35.1Very low135 Ų135134.3 Ų134.382%0.81876%0.764SS**  trans-153114.9136.5-173.60000105.8
267S34.6Very low35.3Very low84 Ų84134.7 Ų134.759%0.58776%0.764SS**  cis90.398.530.4840000116.1
268Q33.2Very low35.4Very low184 Ų184137.1 Ų137.186%0.8677%0.769SS**  trans70151.2159.1-52.1172.55.900114.8
269T36.3Very low35.7Very low135 Ų135136.7 Ų136.783%0.82877%0.772SS**  cis-142.2170.831.843.80000114.1
270S33.7Very low35.4Very low108 Ų108138 Ų13876%0.75577%0.774SS**  trans-83.8155.7173.254.40000113.6
271L37.9Very low35.7Very low166 Ų166136 Ų13687%0.86978%0.777SS**  trans-168.1136.1138.2-107.3161.9000113.1
272S34.9Very low35.4Very low110 Ų110136 Ų13677%0.76978%0.775SS**  trans-131.3153.7157.6-52.70000106.7
273P40.9Very low35.5Very low123 Ų123139.2 Ų139.280%0.79979%0.786SS**  -151173.9107.838-20.6000116.4
274L31.1Very low35.5Very low153 Ų153136.9 Ų136.980%0.80178%0.783SS**  trans-78.6145.5175.8174.271.3000113.3
275V39.7Very low35.3Very low134 Ų134136.7 Ų136.781%0.81278%0.782SS**  trans-143.5162.6161.2-172.60000109.9
276T35.9Very low35.4Very low97 Ų97137.6 Ų137.660%0.59578%0.782SS**  -148.8164.3-101.6-48.20000110.7
277M37.6Very low35.4Very low155 Ų155139.1 Ų139.176%0.76478%0.784SS**  trans78.1128.7170.2-55.8-53175.100116.6
278N33Very low35.4Very low141 Ų141139.3 Ų139.375%0.75479%0.785SS**  67131.264.7-84.6-16.3000112.7
279T39.2Very low35.4Very low129 Ų129137.7 Ų137.779%0.79178%0.782SS**  cis-145.3175.337.146.50000115.3
280N28.7Very low35.5Very low158 Ų158135.5 Ų135.585%0.84578%0.778SS**  trans-84.5147.7175.7-58.1-36.4000113.9
281T37.8Very low35.6Very low143 Ų143137.7 Ų137.788%0.87778%0.78SS**  trans-153.2143.5147.76.40000113.8
282T37.3Very low35.7Very low126 Ų126138.4 Ų138.477%0.77378%0.777SS**  trans-72.1141.2-168.646.90000118.1
283N34.5Very low35.7Very low141 Ų141138.2 Ų138.275%0.75478%0.775SS**  trans23.1146.8134.6-64.51.1000123.5
284N33.1Very low35.6Very low142 Ų142137.3 Ų137.376%0.75977%0.772SS**  trans73.1130160-54.8-19.4000115.3
285L34.6Very low35.8Very low160 Ų160137.3 Ų137.384%0.83877%0.767SS**  cis-151.4178.447.1-107.1114.7000115.1
286H32.4Very low35.9Very low165 Ų165138.6 Ų138.676%0.76477%0.766SS**  trans-36.3152.2168.9-86.3-127.7000117.5
287I36.5Very low35.8Very low168 Ų168141.1 Ų141.186%0.86278%0.776SS**  -166.9153.5112.2-98.7157.8000112.9
288S34.4Very low35.8Very low88 Ų88137.4 Ų137.462%0.61577%0.765SS**  trans-71.5159.6-169.7-40.40000117.1
289N34.6Very low35.9Very low150 Ų150137.8 Ų137.880%0.80277%0.767SS**  159113.3125.4-76.5-24.8000109.3
290A37Very low35.6Very low89 Ų89138.3 Ų138.374%0.73677%0.766SS**  71.2126.569.300000114.2
291L37.1Very low36Very low153 Ų153136 Ų13680%0.80176%0.757SS**  trans-175.7144.2137-101.4-172.6000115.2
292F38.8Very low36Very low182 Ų182136.7 Ų136.780%0.79876%0.755SS**  trans71.1153160.8-79.5-67.4000123.1
293S35.1Very low36Very low106 Ų106134.8 Ų134.874%0.74175%0.752SS**  trans-150.4-173.5-150.6-39.80000112.2
294S38.2Very low36.3Very low104 Ų104133.2 Ų133.273%0.72775%0.75SS**  trans92.5148.8160.788.60000116.4
295H37.2Very low36.4Very low153 Ų153132.6 Ų132.671%0.70875%0.751SS**  cis-156.9156.72.5-137.6-14.2000114.8
296M41.9Very low36.5Very low160 Ų160129 Ų12979%0.78874%0.744SS**  trans76.9162.4155.9-62.7-49.1-168.900120.2
297N33.9Very low36.8Very low151 Ų151127.1 Ų127.181%0.80775%0.745SS**  trans-159176.1-152-172.819.6000110.1
298S36.2Very low36.9Very low76 Ų76125.5 Ų125.553%0.53174%0.742SS.*  trans83.4115158.2-57.20000119.4
299N34.6Very low36.9Very low149 Ų149129.8 Ų129.880%0.79775%0.75SS**  trans65.1140.5133-47.1-14.8000117.8
300N34.1Very low37Very low141 Ų141129 Ų12975%0.75475%0.746SS**  cis-167.4145.842.1-166.827.1000113.4
301V36.4Very low36.9Very low108 Ų108130 Ų13066%0.65574%0.743SS**  trans-3.9112.3154.5179.60000118.2
302N37.8Very low36.8Very low158 Ų158132 Ų13285%0.84575%0.746SS**  173.1148.3118-95.3-44.5000114.5
303A37.5Very low36.7Very low87 Ų87127.5 Ų127.572%0.71974%0.737SS**  trans-88.9-176.6167.100000109.9
304P40.4Very low36.7Very low107 Ų107128.6 Ų128.670%0.69574%0.739SS**  cis-143.1-178.614.341.7-20.7000117.7
305T35.7Very low36.6Very low129 Ų129131.1 Ų131.179%0.79174%0.743SS**  trans38.6133.1148.553.60000119.9
306A37.2Very low36.2Very low84 Ų84129.3 Ų129.369%0.69475%0.747SS**  -171.416572.700000116.1
307T38.3Very low35.8Very low126 Ų126126.1 Ų126.177%0.77374%0.741SS**  trans61.3113149.145.20000122.5
308V38.1Very low35.9Very low134 Ų134124.2 Ų124.281%0.81273%0.734SS**  84.9112.6125.11770000119.8
309K34.3Very low36Very low178 Ų178129 Ų12977%0.77475%0.752SS**  trans-36.6140.2157.3-48.2162.2179.3177.10113.8
310N37.5Very low35.9Very low134 Ų134127 Ų12772%0.71775%0.745SS**  -177.2133.9103.2-101.8-4.4000115.1
311T35.3Very low35.9Very low109 Ų109125.3 Ų125.367%0.66974%0.744SS**  trans66.5158141.560.10000122.3
312F35.1Very low35.8Very low196 Ų196125.5 Ų125.586%0.8675%0.751SS**  trans84.2157.2163.4-70.9-69.7000120
313S35.6Very low35.8Very low88 Ų88125.3 Ų125.362%0.61575%0.748SS**  trans-120.9155.6-149.854.30000112.4
314T35.7Very low35.9Very low128 Ų128125.3 Ų125.379%0.78574%0.743SS**  trans44.296.4145.7-47.10000117.1
315I35.1Very low35.5Very low158 Ų158127.2 Ų127.281%0.8175%0.747SS**  trans-124116.8151.3-60.7-179.9000108.3
316S29.9Very low35.6Very low114 Ų114126.2 Ų126.280%0.79775%0.745SS**  trans-108.4116.9163.6-61.70000108
317S34.1Very low35.7Very low93 Ų93131 Ų13165%0.6575%0.753SS**  trans-169.8144.4162.666.70000114.5
318V34.2Very low35.4Very low111 Ų111130.1 Ų130.167%0.67375%0.748SS**  trans65.1111.4157.5-156.40000119.5T320V318-T320 HydrophobicContact CG1-CG2 3.89Å
319I38.7Very low35.2Very low176 Ų176131 Ų13190%0.90375%0.748SS**  -125.4121.8126.8-63-177.6000107.5
320T33.6Very low35.2Very low107 Ų107128.7 Ų128.766%0.65675%0.749SS**  trans-108.3146173.341.20000110.5V318V318-T320 HydrophobicContact CG1-CG2 3.89Å
321S34.4Very low35Very low106 Ų106130.1 Ų130.174%0.74176%0.755SS**  trans174.6126.8132.6-79.90000113.2
322S33.7Very low34.9Very low112 Ų112129.9 Ų129.978%0.78376%0.757SS**  trans57159.5150.263.80000118.9
323I37.5Very low34.8Very low154 Ų154127.5 Ų127.579%0.7975%0.754SS**  cis-135.1159.122.9-71172.1000111.9
324S39.3Very low34.9Very low88 Ų88131.6 Ų131.662%0.61577%0.769SS**  trans-39.8141.9-17557.10000122.2
325D33.3Very low34.8Very low147 Ų147134.1 Ų134.179%0.78677%0.771SS**  41.8130.7124.8-42.7-39.4000120.4
326S36.6Very low34.7Very low107 Ų107131.9 Ų131.975%0.74877%0.769SS**  179.9157.373.542.70000115.3
327H38.6Very low35Very low184 Ų184132.9 Ų132.985%0.85277%0.765SS**  trans62.5131.7162.1-77.2-68.3000123.6
328T33.2Very low34.9Very low109 Ų109137 Ų13767%0.66977%0.774SS**  trans-79.7159.1176.752.40000113.3
329D34.2Very low35.1Very low153 Ų153140.2 Ų140.282%0.81878%0.779SS**  -167.2171.4106.8-95.9-5.1000113.4
330T32.7Very low34.9Very low128 Ų128138.8 Ų138.879%0.78577%0.773SS**  trans-112.4-173.2-161.2-53.70000111.6
331I33.8Very low35.2Very low164 Ų164141.8 Ų141.884%0.84178%0.784SS**  trans92.9136171-54.6163.1000113.7
332S34.3Very low35.4Very low104 Ų104146.3 Ų146.373%0.72779%0.79SS**  cis-165.4168.6-23.7-175.10000109.7
333N32.9Very low35.5Very low146 Ų146152.5 Ų152.578%0.78180%0.797SS**  trans-50.9147.4175.6-64.1-67.3000114.5
334N37.5Very low35.5Very low175 Ų175154.7 Ų154.794%0.93680%0.8SS**  trans-148.1133.2142.1-102.7-55.5000111.2
335H34.2Very low35.3Very low181 Ų181156 Ų15684%0.83881%0.809SS**  trans-130.3126.4-172.818079.2000109
336C33.1Very low35.6Very low111 Ų111156.2 Ų156.275%0.7581%0.809SS**  trans-142.898.2-176-160.10000114.8
337N35.2Very low35.6Very low134 Ų134158 Ų15872%0.71781%0.81SS**  trans54.8119.7138.1-65.8-64.7000122
338Q32.9Very low35.4Very low180 Ų180156 Ų15684%0.84181%0.806SS**  trans-70.9159.1158.7-51.8166.72.600112.2
339K37.3Very low35.4Very low179 Ų179161.2 Ų161.278%0.77882%0.815SS**  trans-174.6124137.7-103.7149-170.8170.10114.5
340N35.8Very low35.6Very low145 Ų145160 Ų16078%0.77581%0.808SS**  trans67.6158.7162.2-51.4-45.6000116.2
341L39.8Very low35.9Very low171 Ų171163.5 Ų163.590%0.89581%0.808SS**  cis-119.8178.58.2-81.181000113.2
342K37.1Very low36.2Very low200 Ų200161.5 Ų161.587%0.8780%0.8SS**  trans-107.4166.8-172.5-70.7179.1173.9177.70114.6
343R36.7Very low36.6Very low243 Ų243162 Ų16292%0.91779%0.793SS**  trans88143.4168.8-53.4172.2175.8169.7-1.8113.9
344K37.9Very low37Very low199 Ų199164.2 Ų164.287%0.86579%0.79SS**  cis-124.2157.67.2-63.1172.5-178.5172.70111.4
345S35.3Very low37.4Very low115 Ų115158.3 Ų158.380%0.80476%0.763SS**  trans-134.3121.2176.254.40000110.7
346I39Very low37.7Very low152 Ų152155 Ų15578%0.77975%0.748SS**  trans-142.3141.6172.5-71.1-173.1000107.7
347N35.9Very low38.4Very low146 Ų146154.4 Ų154.478%0.78173%0.734SS**  trans55.784.4171.4-61.22.1000117.8
348N36Very low38.9Very low142 Ų142151.9 Ų151.976%0.75972%0.72SS**  trans-138.462.6149.1-165.52.2000109.8
349Y32.9Very low39.8Very low218 Ų218147.6 Ų147.686%0.85570%0.702SS**  trans-142.252.3-176.1-82.8-67.4000111.7
350D38.7Very low40.2Very low127 Ų127143.9 Ų143.968%0.67969%0.691SS**SBendtrans-136-39.3171.7-90.9-60.5000112.3N352 I353D350-N352 VanDerWaalsContact C-N 3.29Å; D350-N352 PolarHBondContact O-N 3.38Å; D350-I353 PolarHBondContact O-N 3.25Å
351Y38.9Very low41Very low201 Ų201141.7 Ų141.779%0.78868%0.675SS**Hα-helixtrans-65.3-24.8-170.3-127.8-87.3000115.2
352N39.4Very low41.2Very low123 Ų123138.3 Ų138.366%0.65866%0.657SS**Hα-helixtrans-84.8-24.1179.2-84.4-11.1000114.3D350 R354 S355 Q356D350-N352 VanDerWaalsContact C-N 3.29Å; D350-N352 PolarHBondContact O-N 3.38Å; N352-R354 VanDerWaalsContact C-N 3.32Å; N352-R354 PolarHBondContact O-N 3.14Å; N352-S355 PolarHBondContact O-OG 2.7Å; N352-S355 VanDerWaalsContact O-OG 3.08Å; N352-Q356 PolarHBondContact O-N 2.68Å; N352-Q356 PolarHBondContact O-OE1 2.84Å
353I42.4Very low42Very low113 Ų113135.5 Ų135.558%0.57965%0.645SS**Hα-helixtrans-68.4-39-179.6-63.8179000109.8D350 Q356 E357D350-I353 PolarHBondContact O-N 3.25Å; I353-Q356 PolarHBondContact O-N 3.32Å; I353-E357 PolarHBondContact O-N 3.31Å
354R40.7Very low42.6Very low194 Ų194127.6 Ų127.673%0.73263%0.627SS**Hα-helixtrans-71.3-31.2-176.6-153.4164.9-170.6148.43.1113.8N352 D358N352-R354 VanDerWaalsContact C-N 3.32Å; N352-R354 PolarHBondContact O-N 3.14Å; R354-D358 PolarHBondContact O-N 2.97Å
355S45.6Very low43.1Very low51 Ų51122.1 Ų122.136%0.35761%0.61SS.*Hα-helixtrans-73.4-37.7173.560.60000112.2N352 E357 D358 I359N352-S355 PolarHBondContact O-OG 2.7Å; N352-S355 VanDerWaalsContact O-OG 3.08Å; S355-E357 VanDerWaalsContact C-N 3.33Å; S355-E357 PolarHBondContact O-N 3.32Å; S355-D358 PolarHBondContact O-N 3Å; S355-I359 WeakPolarHBondContact O-CD1 3.47Å; S355-I359 VanDerWaalsContact O-CG1 3.29Å; S355-I359 WeakPolarHBondContact O-CG1 3.33Å; S355-I359 PolarHBondContact O-N 3.2Å; S355-I359 VanDerWaalsContact O-N 3.09Å
356Q42.1Very low43.4Very low112 Ų112121.7 Ų121.752%0.52360%0.599SS.*Hα-helixtrans-60.5-40.7175.1-123.778.443.200112.2N352 I353 N360N352-Q356 PolarHBondContact O-N 2.68Å; N352-Q356 PolarHBondContact O-OE1 2.84Å; I353-Q356 PolarHBondContact O-N 3.32Å; Q356-N360 PolarHBondContact O-N 3.49Å; Q356-N360 PolarHBondContact O-ND2 3.24Å
357E46.5Very low43.8Very low98 Ų98119.1 Ų119.146%0.45859%0.587SS.*Hα-helixtrans-63.8-45.3176.2-78.4-164.2-171.100113.2I353 S355 I359 N360 K361I353-E357 PolarHBondContact O-N 3.31Å; S355-E357 VanDerWaalsContact C-N 3.33Å; S355-E357 PolarHBondContact O-N 3.32Å; E357-I359 VanDerWaalsContact C-N 3.35Å; E357-N360 PolarHBondContact O-N 2.89Å; E357-N360 VanDerWaalsContact O-N 3.16Å; E357-K361 WeakPolarHBondContact O-CG 3.46Å; E357-K361 PolarHBondContact O-N 2.95Å; E357-K361 IonicContact OE2-NZ 3.62Å; E357-K361 PolarHBondContact OE2-NZ 3.3Å
358D46.4Very low44.3Very low80 Ų80117.3 Ų117.343%0.42858%0.577SS.*Hα-helixtrans-72.3-30.5-175.6-70.7-10.5000111.8R354 S355 N360 K361 N362R354-D358 PolarHBondContact O-N 2.97Å; S355-D358 PolarHBondContact O-N 3Å; D358-N360 VanDerWaalsContact C-N 3.34Å; D358-K361 IonicContact OD1-NZ 2.7Å; D358-K361 PolarHBondContact OD1-NZ 3.42Å; D358-K361 VanDerWaalsContact OD1-NZ 3.16Å; D358-N362 VanDerWaalsContact O-CG 3.23Å; D358-N362 PolarHBondContact O-N 3.16Å; D358-N362 VanDerWaalsContact O-N 3.08Å; D358-N362 PolarHBondContact O-ND2 3.01Å
359I51.2Low44.6Very low91 Ų91119.5 Ų119.547%0.46758%0.575SS.*Hα-helixtrans-61.4-42.1167.9-69.5165.7000111.1S355 E357 K363S355-I359 WeakPolarHBondContact O-CD1 3.47Å; S355-I359 VanDerWaalsContact O-CG1 3.29Å; S355-I359 WeakPolarHBondContact O-CG1 3.33Å; S355-I359 PolarHBondContact O-N 3.2Å; S355-I359 VanDerWaalsContact O-N 3.09Å; E357-I359 VanDerWaalsContact C-N 3.35Å; I359-K363 PolarHBondContact O-N 3.08Å
360N46.5Very low45Very low101 Ų101115.8 Ų115.854%0.5457%0.566SS.*Hα-helixtrans-73.6-35.6-179.8-71.8-25.4000112.7Q356 E357 D358 K363 S364Q356-N360 PolarHBondContact O-N 3.49Å; Q356-N360 PolarHBondContact O-ND2 3.24Å; E357-N360 PolarHBondContact O-N 2.89Å; E357-N360 VanDerWaalsContact O-N 3.16Å; D358-N360 VanDerWaalsContact C-N 3.34Å; N360-K363 PolarHBondContact O-N 3.26Å; N360-S364 PolarHBondContact O-N 3.09Å
361K52.5Low45.5Very low99 Ų99113.5 Ų113.543%0.4356%0.557SS.*Hα-helixtrans-62.8-43.6173-70163.2-161.9155.30111.2E357 D358 K363 S364 V365E357-K361 WeakPolarHBondContact O-CG 3.46Å; E357-K361 PolarHBondContact O-N 2.95Å; E357-K361 IonicContact OE2-NZ 3.62Å; E357-K361 PolarHBondContact OE2-NZ 3.3Å; D358-K361 IonicContact OD1-NZ 2.7Å; D358-K361 PolarHBondContact OD1-NZ 3.42Å; D358-K361 VanDerWaalsContact OD1-NZ 3.16Å; K361-K363 VanDerWaalsContact C-N 3.33Å; K361-K363 PolarHBondContact O-N 3.24Å; K361-S364 WeakPolarHBondContact O-CB 3.42Å; K361-S364 PolarHBondContact O-N 3.23Å; K361-S364 VanDerWaalsContact O-N 3.09Å; K361-V365 PolarHBondContact O-N 2.89Å; K361-V365 VanDerWaalsContact O-N 3.14Å
362N44.9Very low45.8Very low100 Ų100108.2 Ų108.254%0.53555%0.549SS..Hα-helixtrans-63.1-35.5178.6-70.4-22.2000113D358 S364 V365 N366D358-N362 VanDerWaalsContact O-CG 3.23Å; D358-N362 PolarHBondContact O-N 3.16Å; D358-N362 VanDerWaalsContact O-N 3.08Å; D358-N362 PolarHBondContact O-ND2 3.01Å; N362-S364 VanDerWaalsContact C-N 3.33Å; N362-S364 PolarHBondContact O-N 3.39Å; N362-V365 PolarHBondContact O-N 3.3Å; N362-N366 PolarHBondContact O-N 3.12Å; N362-N366 PolarHBondContact O-OD1 2.94Å
363K52.3Low46Very low140 Ų140108.8 Ų108.861%0.60955%0.552SS**Hα-helixtrans-63.2-36.4172.3-74.6-174.1174.3-175.30113I359 N360 K361 V365 N367I359-K363 PolarHBondContact O-N 3.08Å; N360-K363 PolarHBondContact O-N 3.26Å; K361-K363 VanDerWaalsContact C-N 3.33Å; K361-K363 PolarHBondContact O-N 3.24Å; K363-V365 VanDerWaalsContact C-N 3.34Å; K363-N367 PolarHBondContact O-N 3.22Å; K363-N367 PolarHBondContact O-OD1 3.07Å; K363-N367 VanDerWaalsContact O-OD1 3.07Å
364S49.7Very low45.9Very low77 Ų77110.8 Ų110.854%0.53856%0.561SS.*Hα-helixtrans-68.7-32.4175.4-162.60000112.8N360 K361 N362 L368N360-S364 PolarHBondContact O-N 3.09Å; K361-S364 WeakPolarHBondContact O-CB 3.42Å; K361-S364 PolarHBondContact O-N 3.23Å; K361-S364 VanDerWaalsContact O-N 3.09Å; N362-S364 VanDerWaalsContact C-N 3.33Å; N362-S364 PolarHBondContact O-N 3.39Å; S364-L368 WeakPolarHBondContact O-CG 3.46Å
365V48.2Very low45.8Very low84 Ų84109.1 Ų109.151%0.50957%0.565SS.*Hα-helixtrans-76.4-41.5179.4175.90000111.9K361 N362 K363 L368 Y369K361-V365 PolarHBondContact O-N 2.89Å; K361-V365 VanDerWaalsContact O-N 3.14Å; N362-V365 PolarHBondContact O-N 3.3Å; K363-V365 VanDerWaalsContact C-N 3.34Å; V365-L368 PolarHBondContact O-N 3.46Å; V365-Y369 PolarHBondContact O-N 3.37Å
366N42.9Very low45.2Very low106 Ų106114.2 Ų114.257%0.56759%0.589SS**Hα-helixtrans-62.9-45.3178.9-7215000111.8N362 L368 Y369 E370N362-N366 PolarHBondContact O-N 3.12Å; N362-N366 PolarHBondContact O-OD1 2.94Å; N366-L368 PolarHBondContact O-N 2.85Å; N366-Y369 WeakPolarHBondContact O-CB 3.32Å; N366-Y369 PolarHBondContact O-N 2.83Å; N366-E370 PolarHBondContact O-N 2.97Å
367N46.7Very low45Very low99 Ų99114.7 Ų114.753%0.52960%0.599SS.*Hα-helixtrans-59.9-30.1178.9-72.130.4000112.9K363 Y369 T371K363-N367 PolarHBondContact O-N 3.22Å; K363-N367 PolarHBondContact O-OD1 3.07Å; K363-N367 VanDerWaalsContact O-OD1 3.07Å; N367-Y369 VanDerWaalsContact C-N 3.35Å; N367-T371 WeakPolarHBondContact O-CG2 3.48Å; N367-T371 PolarHBondContact O-N 3.43Å; N367-T371 VanDerWaalsContact O-N 3.11Å; N367-T371 PolarHBondContact O-OG1 2.98Å
368L46.4Very low44.5Very low108 Ų108117.7 Ų117.757%0.56562%0.618SS**Hα-helixtrans-74-24.5176.8-74.6169.7000113.2S364 V365 N366 T371 S372S364-L368 WeakPolarHBondContact O-CG 3.46Å; V365-L368 PolarHBondContact O-N 3.46Å; N366-L368 PolarHBondContact O-N 2.85Å; L368-T371 WeakPolarHBondContact CA-OG1 3.36Å; L368-T371 PolarHBondContact O-OG1 2.96Å; L368-S372 PolarHBondContact O-OG 3.48Å
369Y41.5Very low43.9Very low188 Ų188120.7 Ų120.774%0.73763%0.634SS**Hα-helixtrans-73.7-41.8172-117.2-97.4000111.2V365 N366 N367 S372V365-Y369 PolarHBondContact O-N 3.37Å; N366-Y369 WeakPolarHBondContact O-CB 3.32Å; N366-Y369 PolarHBondContact O-N 2.83Å; N367-Y369 VanDerWaalsContact C-N 3.35Å; Y369-S372 PolarHBondContact O-N 3.25Å
370E42.6Very low43.5Very low139 Ų139124.4 Ų124.465%0.6566%0.655SS**Hα-helixtrans-66.7-41.7177-69.3-179.6127.400112.6N366 S372 N373N366-E370 PolarHBondContact O-N 2.97Å; E370-S372 PolarHBondContact O-N 3.17Å; E370-N373 PolarHBondContact O-N 3.41Å
371T48.9Very low43.3Very low80 Ų80127.8 Ų127.849%0.49167%0.668SS.*Hα-helixtrans-66.4-20.5178.152.70000114N367 L368N367-T371 WeakPolarHBondContact O-CG2 3.48Å; N367-T371 PolarHBondContact O-N 3.43Å; N367-T371 VanDerWaalsContact O-N 3.11Å; N367-T371 PolarHBondContact O-OG1 2.98Å; L368-T371 WeakPolarHBondContact CA-OG1 3.36Å; L368-T371 PolarHBondContact O-OG1 2.96Å
372S45.3Very low42.8Very low89 Ų89129.7 Ų129.762%0.62268%0.682SS**Hα-helixtrans-78.2-20.5-176.9-62.60000113.5L368 Y369 E370L368-S372 PolarHBondContact O-OG 3.48Å; Y369-S372 PolarHBondContact O-N 3.25Å; E370-S372 PolarHBondContact O-N 3.17Å
373N42.3Very low42.7Very low136 Ų136132.1 Ų132.173%0.72770%0.695SS**THydrogen-bonded Turntrans-99.82.9180-77.10.8000114.1E370E370-N373 PolarHBondContact O-N 3.41Å
374M40.8Very low42.3Very low155 Ų155133 Ų13376%0.76470%0.704SS**SBendtrans-113.916.7-174.7-71.1-78.594.900114.2
375L38.7Very low41.9Very low158 Ų158134 Ų13483%0.82770%0.704SS**SBendtrans-128.751.4-178.3-71.8176000113.3
376N33.5Very low41.4Very low159 Ų159139.3 Ų139.385%0.8572%0.715SS**  trans-149.954.3159.4-15937.8000113.3
377V36.4Very low41.3Very low122 Ų122142.5 Ų142.574%0.73972%0.724SS**  trans-132.6103165.8-177.90000108.7
378N36.6Very low40.9Very low161 Ų161145.6 Ų145.686%0.86174%0.735SS**  trans-147.4136.5153.7-89.9-42000106.3
379N33.3Very low40.5Very low142 Ų142147.2 Ų147.276%0.75974%0.739SS**  trans-95.5137.2-175.1-33.9-77.4000109.3
380D43.6Very low40.4Very low169 Ų169144.2 Ų144.290%0.90474%0.736SS**  trans-13496.3159.8-80.8-53.4000107.2
381E43.2Very low40.1Very low173 Ų173143.3 Ų143.381%0.80874%0.735SS**  trans-123.3169.8168.5-98.6-73.5-164.200107.9
382D40.2Very low39.8Very low138 Ų138146 Ų14674%0.73875%0.747SS**  trans77.9125.2175.8-76-41000119.7
383L44.1Very low39.3Very low151 Ų151149.1 Ų149.179%0.79175%0.752SS**  trans65.8137166.1-77.368.6000116.3
384I43.9Very low39.5Very low159 Ų159148.5 Ų148.582%0.81575%0.748SS**  cis-143.8103.949.8-58.4178.3000113.3
385D40Very low39.3Very low99 Ų99148.4 Ų148.453%0.52975%0.745SS.*  58.1117.3110.3-152.113.6000124.6
386R39.5Very low39.2Very low194 Ų194149.1 Ų149.173%0.73274%0.744SS**  trans85.1124.9138.8-101.2177.8-62.1177.39.9125.3
387K40.9Very low39.3Very low174 Ų174146.3 Ų146.376%0.75774%0.737SS**  trans91115.5150.4-64.6178.2-177.8-173.90118.3
388H36.7Very low39.7Very low164 Ų164145.4 Ų145.476%0.75973%0.734SS**  69.6134.480.4-81.6-119.3000112.6
389E38.5Very low39.5Very low142 Ų142144 Ų14466%0.66473%0.731SS**  cis-164154.323.8-132164.9-132.200113.6
390N39Very low39.7Very low124 Ų124142.8 Ų142.866%0.66373%0.733SS**  trans59.9154.8152.7-56.4-27.4000120.2
391N37.5Very low39.4Very low120 Ų120140.1 Ų140.164%0.64273%0.728SS**  cis-169.3159.7-21-113.324.2000109.1
392D42Very low39.2Very low136 Ų136136.2 Ų136.273%0.72772%0.72SS**  trans60.9151.6154.4-51.4-30.8000118.6
393E34.9Very low39.2Very low156 Ų156137.1 Ų137.173%0.72972%0.722SS**  cis-158.3159-7.3-127.1-165.1129.300111.9
394L45.3Very low39Very low123 Ų123136.3 Ų136.364%0.64472%0.718SS**  trans65125.1149-61.9179.4000126
395Q37.2Very low38.7Very low152 Ų152137.4 Ų137.471%0.7171%0.713SS**  trans85.299130.4-68179.431.800124.6
396H36.6Very low38.8Very low173 Ų173140.9 Ų140.980%0.80172%0.724SS**  46.695.1119.9-55.4-51000123.5
397S36.1Very low38.7Very low100 Ų100135.2 Ų135.270%0.69971%0.714SS**  -17171.6121.865.10000120.3
398P45.6Very low38.5Very low104 Ų104135 Ų13568%0.67572%0.716SS**  cis-143.9-139.3-49.343.1-22.6000111.3
399T32.4Very low38.7Very low132 Ų132132.6 Ų132.681%0.8171%0.713SS**  trans75.6163.3167.972.10000118.5
400S36.5Very low38.6Very low115 Ų115133 Ų13380%0.80472%0.719SS**  cis173.9122.8-38.4-177.90000108.8
401S36.5Very low38.3Very low113 Ų113132.7 Ų132.779%0.7973%0.727SS**  trans-166.6159.3161.872.60000110
402S39.7Very low38.2Very low92 Ų92134.5 Ų134.564%0.64374%0.735SS**  cis-148.2169.3-3.3-144.90000112.9
403M41.1Very low37.8Very low156 Ų156133.6 Ų133.677%0.76874%0.739SS**  trans-8.1156149.3-54.3170-171.300118
404D39.5Very low38Very low134 Ų134130.3 Ų130.372%0.71773%0.731SS**  -160146.374.4-87.7-33.2000117.4
405Y37.8Very low37.6Very low183 Ų183132.5 Ų132.572%0.71874%0.739SS**  trans50.7119143.2-77.5-109.4000120.8
406F41Very low37.4Very low172 Ų172134.2 Ų134.275%0.75475%0.746SS**  61.3137.390.5-78.8-79.5000113.5
407S37.5Very low37.5Very low74 Ų74132.1 Ų132.152%0.51774%0.741SS.*  cis-163158.425.3-127.10000111.8
408Q36.4Very low37.6Very low169 Ų169133.4 Ų133.479%0.7974%0.74SS**  trans45.5135.1139.2-55161.211.700119.4
409T41.1Very low37.1Very low114 Ų114135.1 Ų135.170%0.69975%0.749SS**  -163.3161.651.444.90000114.1
410N36.2Very low37.5Very low150 Ų150134.1 Ų134.180%0.80275%0.747SS**  trans57.5128.2143.6-62-0.8000123.1
411S33.5Very low37.6Very low118 Ų118136.3 Ų136.383%0.82574%0.744SS**  trans-62.2145.8158.8-38.90000112.7
412I35.5Very low37.7Very low159 Ų159138.4 Ų138.482%0.81575%0.745SS**  trans-149.3137.8152.9-101.3149.5000108P414I412-P414 HydrophobicContact CG2-CG 4.43Å
413S33.8Very low37.7Very low116 Ų116139 Ų13981%0.81174%0.741SS**  trans-114.3137.3162.6173.40000107
414P39.4Very low37.7Very low87 Ų87137.2 Ų137.257%0.56574%0.739SS**  trans-143.1141.4143.634.4-18.1000114.7I412I412-P414 HydrophobicContact CG2-CG 4.43Å
415Q35.6Very low37.7Very low170 Ų170139.8 Ų139.879%0.79474%0.74SS**  trans57136.2134.1-65.1172.4-11300121.5
416E33.6Very low37.8Very low187 Ų187138.4 Ų138.487%0.87475%0.745SS**  trans-65133.4152.4-51.4178.8141.800109.5
417D39.7Very low37.7Very low130 Ų130134.5 Ų134.570%0.69574%0.739SS**  trans-163.4148.5151.8-123.4-28.9000113.9
418N37.9Very low37.8Very low127 Ų127137.4 Ų137.468%0.67975%0.749SS**  trans44.2102.7157.5-62.2-58000122.2
419V34.4Very low38Very low140 Ų140135.8 Ų135.885%0.84875%0.745SS**  28.6107.5122.3-172.70000118
420S40.4Very low38.2Very low110 Ų110138 Ų13877%0.76975%0.753SS**  trans-166.7163.7135.347.70000112.5
421Q39.4Very low38.6Very low162 Ų162137.1 Ų137.176%0.75775%0.748SS**  trans-83.7115.6-176.8-62.6170.40.900110.8N423Q421-N423 PolarHBondContact O-N 3.14Å; Q421-N423 PolarHBondContact OE1-ND2 3.39Å
422I38.4Very low39.2Very low156 Ų156139.1 Ų139.180%0.875%0.75SS**  trans-75.874.7172.3-53.2-178000110V424I422-V424 HydrophobicContact CG2-CG2 3.85Å; I422-V424 PolarHBondContact O-N 3.22Å
423N40.3Very low39.6Very low105 Ų105138.1 Ų138.156%0.56175%0.746SS**  trans-81.691.2167.9-76.6-38.5000109.3Q421 Y425Q421-N423 PolarHBondContact O-N 3.14Å; Q421-N423 PolarHBondContact OE1-ND2 3.39Å; N423-Y425 HydrophobicContact CB-CD2 4.05Å; N423-Y425 HydrophobicContact CB-CE2 4.31Å; N423-Y425 PolarHBondContact O-N 3.08Å
424V40.8Very low40Very low119 Ų119139.4 Ų139.472%0.72174%0.744SS**  trans-7379.6172.9-170.10000110.3I422 N426I422-V424 HydrophobicContact CG2-CG2 3.85Å; I422-V424 PolarHBondContact O-N 3.22Å; V424-N426 PolarHBondContact O-N 3.31Å
425Y38.2Very low40.3Very low188 Ų188140.4 Ų140.474%0.73775%0.748SS**  trans-78.894.5165-87.9-81.7000109.7N423 S427N423-Y425 HydrophobicContact CB-CD2 4.05Å; N423-Y425 HydrophobicContact CB-CE2 4.31Å; N423-Y425 PolarHBondContact O-N 3.08Å; Y425-S427 VanDerWaalsContact C-N 3.27Å; Y425-S427 PolarHBondContact O-N 3.36Å
426N41.4Very low40.8Very low154 Ų154138.8 Ų138.882%0.82475%0.745SS**  trans-75.184.9161.5-96.126.4000109.4V424V424-N426 PolarHBondContact O-N 3.31Å
427S38.9Very low41.4Very low90 Ų90136.3 Ų136.363%0.62974%0.738SS**  trans-88.9106.4170.7-77.80000110.9Y425Y425-S427 VanDerWaalsContact C-N 3.27Å; Y425-S427 PolarHBondContact O-N 3.36Å
428N39.5Very low41.6Very low135 Ų135137.2 Ų137.272%0.72274%0.743SS**  trans42.7134.1143-57-26.9000121.5
429N39.8Very low42.1Very low135 Ų135136.2 Ų136.272%0.72275%0.746SS**  trans65.8114.8150.1-56.5-13.8000117.5
430D46.2Very low42.3Very low161 Ų161137.2 Ų137.286%0.86175%0.746SS**  -135.8148.6107.9-129.9-29.3000110.9
431N44.1Very low42.8Very low130 Ų130138.5 Ų138.570%0.69574%0.743SS**  trans-110.6119.4176.6-73.3-76.6000109.3
432N45.7Very low43.3Very low161 Ų161137.6 Ų137.686%0.86174%0.742SS**  trans-154.6146.1148.6-104.7-48.3000112.4
433N43.1Very low44.3Very low138 Ų138137 Ų13774%0.73874%0.739SS**  trans-90.6139.8-179.1-44.1-80.9000108.3
434N43.4Very low45.1Very low143 Ų143139.9 Ų139.977%0.76575%0.747SS**  -178.5161.577.7-103-33.2000113.1
435T45.6Very low45.7Very low108 Ų108142 Ų14266%0.66375%0.753SS**  trans55.3102.3148.955.20000120.6
436D46.1Very low47.1Very low135 Ų135142.1 Ų142.172%0.72276%0.758SS**  107.4125110.9-67.8-0.6000122.3
437N46.2Very low48.7Very low136 Ų136144.2 Ų144.273%0.72776%0.76SS**  trans86.6108.3148.6-61.9-35.9000121.9
438N43.1Very low50.8Low148 Ų148147.9 Ų147.979%0.79177%0.771SS**  trans66.976.5140.5-67.5-21000120.7
439S49.4Very low52.9Low106 Ų106152.5 Ų152.574%0.74178%0.778SS**  trans-15675.313746.70000113I441S439-I441 PolarHBondContact O-N 3.49Å
440N38.1Very low55.1Low162 Ų162155.2 Ų155.287%0.86678%0.783SS**  trans-72.963.4177-81.8-35.5000113.2I442N440-I442 PolarHBondContact O-N 2.77Å
441I51.5Low57.1Low137 Ų137153.4 Ų153.470%0.70378%0.781SS**  trans-76.3107170.1-59.4-178.3000108.4S439 I443S439-I441 PolarHBondContact O-N 3.49Å; I441-I443 VanDerWaalsContact C-N 3.28Å; I441-I443 HydrophobicContact CG2-CG1 3.96Å; I441-I443 PolarHBondContact O-N 3.2Å
442I49Very low59.2Low142 Ų142155.9 Ų155.973%0.72878%0.78SS**  trans-7381.1179.3-52.6174.9000109.6N440 K444N440-I442 PolarHBondContact O-N 2.77Å; I442-K444 HydrophobicContact CG2-CG 4.04Å; I442-K444 PolarHBondContact O-N 3.16Å
443I59.8Low61.2Low144 Ų144152.3 Ų152.374%0.73876%0.764SS**  trans-71.781.2168.8-55.3-176.5000108.1I441 N445I441-I443 VanDerWaalsContact C-N 3.28Å; I441-I443 HydrophobicContact CG2-CG1 3.96Å; I441-I443 PolarHBondContact O-N 3.2Å; I443-N445 PolarHBondContact O-N 3.44Å
444K56.3Low63.6Low166 Ų166152.2 Ų152.272%0.72276%0.762SS**  trans-47.2128.9179.5-63172.6-177.2174.20110.4I442 K446I442-K444 HydrophobicContact CG2-CG 4.04Å; I442-K444 PolarHBondContact O-N 3.16Å; K444-K446 VanDerWaalsContact C-N 3.28Å; K444-K446 PolarHBondContact O-N 3.33Å
445N55.3Low66.1Low162 Ų162147.5 Ų147.587%0.86673%0.734SS**  trans-55.475.3-172.3-62.15.5000114.7I443 K447I443-N445 PolarHBondContact O-N 3.44Å; N445-K447 PolarHBondContact O-N 3.36Å; N445-K447 VanDerWaalsContact O-N 3.09Å
446K67.1Low68.6Low192 Ų192145 Ų14584%0.83572%0.721SS**  trans-70.1101.8169.4-72.8-178.7-179.9178.70107.8K444 I448K444-K446 VanDerWaalsContact C-N 3.28Å; K444-K446 PolarHBondContact O-N 3.33Å; K446-I448 PolarHBondContact O-N 3.36Å
447K74.8Confident71Confident198 Ų198144.8 Ų144.886%0.86172%0.719SS**  trans-51109176.2-66.3179.3179.7178.70109.6N445 R449N445-K447 PolarHBondContact O-N 3.36Å; N445-K447 VanDerWaalsContact O-N 3.09Å; K447-R449 PolarHBondContact O-N 3.08Å; K447-R449 VanDerWaalsContact O-N 3.17Å
448I82Confident73.5Confident167 Ų167144.4 Ų144.486%0.85671%0.707SS**PPolyproline II helixtrans-58.9120.8-178.7-61.4173.5000108K446K446-I448 PolarHBondContact O-N 3.36Å
449R85.1Confident76.1Confident231 Ų231138.9 Ų138.987%0.87268%0.676SS**PPolyproline II helixtrans-73.2135.4173.8-73.6179.6172.3148.3-3.4108.1K447K447-R449 PolarHBondContact O-N 3.08Å; K447-R449 VanDerWaalsContact O-N 3.17Å
450K84.3Confident78.4Confident192 Ų192135.5 Ų135.584%0.83565%0.65SS**PPolyproline II helixtrans-56.4136.7174.4-63.1175.5179.7-178.20108.9
451P88.2Confident81.2Confident124 Ų124133 Ų13381%0.80563%0.633SS**PPolyproline II helixtrans-59.2145.917725.4-33.9000110.3
452R89.2Confident83.4Confident182 Ų182128.5 Ų128.569%0.68761%0.61SS**PPolyproline II helixtrans-76.6132.9176.3-70.5173.5164.8-153.5-8.7109.2I454 D528R452-I454 PolarHBondContact O-N 3.41Å; R452-D528 IonicContact CZ-OD2 3.99Å; R452-D528 IonicContact NH1-OD2 2.77Å; R452-D528 PolarHBondContact NH1-OD2 3.07Å; R452-D528 IonicContact NH2-OD2 2.85Å; R452-D528 PolarHBondContact NH2-OD2 3.46Å
453T87Confident85.7Confident85 Ų85121.8 Ų121.852%0.52158%0.575SS.*PPolyproline II helixtrans-69128.6167.3-47.80000109.3Y455T453-Y455 HydrophobicContact CG2-CE1 4.38Å
454I94.2Very high87.5Confident136 Ų136116.2 Ų116.270%0.69755%0.547SS*.PPolyproline II helixtrans-95.1135.4166.4-56.3176.2000107.1R452R452-I454 PolarHBondContact O-N 3.41Å
455Y96.5Very high89.5Confident44 Ų44116 Ų11617%0.17354%0.542CS..PPolyproline II helixtrans-94146.3175.3-59.6-68000109.9T453 L460 L487 Q491 W495T453-Y455 HydrophobicContact CG2-CE1 4.38Å; Y455-L460 HydrophobicContact CD2-CD2 4.14Å; Y455-L460 HydrophobicContact CG-CD2 4.38Å; Y455-L487 HydrophobicContact CD1-CD1 3.87Å; Y455-L487 HydrophobicContact CD1-CD2 3.87Å; Y455-L487 HydrophobicContact CE1-CD1 3.83Å; Y455-L487 HydrophobicContact CE1-CD2 3.81Å; Y455-L487 HydrophobicContact CE1-CG 4.48Å; Y455-Q491 HydrophobicContact CE1-CB 4.32Å; Y455-W495 AromaticContact CE2-CD1 3.83Å
456S97.6Very high91.5Very high57 Ų57111.7 Ų111.740%0.39951%0.513SS..PPolyproline II helixtrans-69.3158.3174.377.10000111.5W458 Q459 L460S456-W458 PolarHBondContact O-N 3.38Å; S456-Q459 WeakPolarHBondContact O-CB 3.48Å; S456-Q459 PolarHBondContact O-N 2.73Å; S456-Q459 VanDerWaalsContact O-N 3.08Å; S456-Q459 WeakPolarHBondContact OG-CG 3.43Å; S456-Q459 PolarHBondContact OG-N 3.08Å; S456-L460 WeakPolarHBondContact O-CG 3.46Å; S456-L460 PolarHBondContact O-N 3.39Å
457I96.9Very high92.9Very high130 Ų130102.6 Ų102.667%0.66747%0.474SS*.Hα-helixtrans-55.7-42.5178.2-61.6174.1000110.6L460 Q461I457-L460 PolarHBondContact O-N 3.31Å; I457-Q461 HydrophobicContact CG2-CG 4.39Å; I457-Q461 WeakPolarHBondContact O-CB 3.29Å; I457-Q461 VanDerWaalsContact O-CG 3.3Å; I457-Q461 WeakPolarHBondContact O-CG 3.48Å; I457-Q461 PolarHBondContact O-N 3.26Å
458W97.6Very high93.9Very high127 Ų12796.8 Ų96.848%0.48145%0.454SS..Hα-helixtrans-63.4-42.3176.217883.5000113S456 L460 Q461 M462 Q484 L485S456-W458 PolarHBondContact O-N 3.38Å; W458-L460 PolarHBondContact O-N 3.1Å; W458-Q461 PolarHBondContact O-N 3.4Å; W458-M462 HydrophobicContact CD2-CG 4.46Å; W458-M462 HydrophobicContact CZ2-CG 4.33Å; W458-M462 WeakPolarHBondContact O-CG 3.48Å; W458-M462 PolarHBondContact O-N 3.08Å; W458-Q484 WeakPolarHBondContact CH2-O 3.37Å; W458-L485 HydrophobicContact CE3-CD2 4.2Å; W458-L485 HydrophobicContact CH2-CD2 3.64Å; W458-L485 HydrophobicContact CZ2-CD2 4.27Å; W458-L485 HydrophobicContact CZ3-CD2 3.6Å
459Q98.1Very high94.6Very high32 Ų3295.6 Ų95.615%0.1545%0.445CS..Hα-helixtrans-60.7-45.4173.4-73.3172.5-23.100111S456 M462 L463 L485S456-Q459 WeakPolarHBondContact O-CB 3.48Å; S456-Q459 PolarHBondContact O-N 2.73Å; S456-Q459 VanDerWaalsContact O-N 3.08Å; S456-Q459 WeakPolarHBondContact OG-CG 3.43Å; S456-Q459 PolarHBondContact OG-N 3.08Å; Q459-M462 PolarHBondContact O-N 2.98Å; Q459-L463 VanDerWaalsContact O-CB 3.32Å; Q459-L463 WeakPolarHBondContact O-CB 3.47Å; Q459-L463 WeakPolarHBondContact O-CD1 3.39Å; Q459-L463 WeakPolarHBondContact O-CG 3.4Å; Q459-L463 PolarHBondContact O-N 3.12Å; Q459-L485 HydrophobicContact CG-CB 4.37Å; Q459-L485 PolarHBondContact NE2-O 3.27Å
460L97.5Very high95.1Very high36 Ų3686.3 Ų86.319%0.18842%0.415CS..Hα-helixtrans-62.9-41.3177.2-68.9173.7000112.3Y455 S456 I457 W458 N464Y455-L460 HydrophobicContact CD2-CD2 4.14Å; Y455-L460 HydrophobicContact CG-CD2 4.38Å; S456-L460 WeakPolarHBondContact O-CG 3.46Å; S456-L460 PolarHBondContact O-N 3.39Å; I457-L460 PolarHBondContact O-N 3.31Å; W458-L460 PolarHBondContact O-N 3.1Å; L460-N464 VanDerWaalsContact O-CB 3.28Å; L460-N464 WeakPolarHBondContact O-CB 3.38Å; L460-N464 PolarHBondContact O-N 2.98Å; L460-N464 PolarHBondContact O-ND2 2.88Å
461Q96.9Very high95.7Very high110 Ų11080.1 Ų80.151%0.51439%0.389SS..Hα-helixtrans-61.4-46.5175.3-76.6170.6-20.300111.7I457 W458 N464 R465I457-Q461 HydrophobicContact CG2-CG 4.39Å; I457-Q461 WeakPolarHBondContact O-CB 3.29Å; I457-Q461 VanDerWaalsContact O-CG 3.3Å; I457-Q461 WeakPolarHBondContact O-CG 3.48Å; I457-Q461 PolarHBondContact O-N 3.26Å; W458-Q461 PolarHBondContact O-N 3.4Å; Q461-N464 PolarHBondContact O-N 3.46Å; Q461-R465 VanDerWaalsContact O-CB 3.31Å; Q461-R465 WeakPolarHBondContact O-CB 3.29Å; Q461-R465 PolarHBondContact O-N 3.38Å
462M97.6Very high96.2Very high42 Ų4281.5 Ų81.521%0.20738%0.379CS..Hα-helixtrans-70.4-37.4179-68.8-57.7109.500112.9W458 Q459 R465 R466 L485W458-M462 HydrophobicContact CD2-CG 4.46Å; W458-M462 HydrophobicContact CZ2-CG 4.33Å; W458-M462 WeakPolarHBondContact O-CG 3.48Å; W458-M462 PolarHBondContact O-N 3.08Å; Q459-M462 PolarHBondContact O-N 2.98Å; M462-R465 PolarHBondContact O-N 2.99Å; M462-R466 PolarHBondContact O-N 2.86Å; M462-L485 HydrophobicContact CB-CD1 4.07Å; M462-L485 HydrophobicContact CB-CD2 3.51Å; M462-L485 HydrophobicContact CB-CG 4.41Å; M462-L485 HydrophobicContact CG-CD2 3.85Å
463L98.4Very high96.6Very high0 Ų073.6 Ų73.60%035%0.351CS..Hα-helixtrans-61.6-47.7172.3-72.7164.8000111.1Q459 R466 F467 L481 L485 L487 V492 W495 F496Q459-L463 VanDerWaalsContact O-CB 3.32Å; Q459-L463 WeakPolarHBondContact O-CB 3.47Å; Q459-L463 WeakPolarHBondContact O-CD1 3.39Å; Q459-L463 WeakPolarHBondContact O-CG 3.4Å; Q459-L463 PolarHBondContact O-N 3.12Å; L463-R466 PolarHBondContact O-N 3.35Å; L463-F467 WeakPolarHBondContact O-CB 3.29Å; L463-F467 PolarHBondContact O-N 3.44Å; L463-L481 HydrophobicContact CD2-CD2 3.95Å; L463-L485 HydrophobicContact CD2-CD1 3.92Å; L463-L485 HydrophobicContact CG-CD1 3.73Å; L463-L487 HydrophobicContact CD1-CD1 4.16Å; L463-V492 HydrophobicContact CD2-CG1 4.47Å; L463-W495 VanDerWaalsContact C-CH2 3.48Å; L463-W495 HydrophobicContact CB-CD2 3.91Å; L463-W495 HydrophobicContact CB-CE3 3.95Å; L463-W495 HydrophobicContact CB-CH2 3.75Å; L463-W495 HydrophobicContact CB-CZ2 3.65Å; L463-W495 HydrophobicContact CB-CZ3 3.88Å; L463-W495 HydrophobicContact CD1-CD2 4Å; L463-W495 HydrophobicContact CD1-CG 3.93Å; L463-W495 HydrophobicContact CD2-CD2 4.23Å; L463-W495 HydrophobicContact CD2-CE3 4.15Å; L463-W495 HydrophobicContact CD2-CG 4.5Å; L463-W495 HydrophobicContact CG-CD2 4.27Å; L463-W495 HydrophobicContact CG-CE3 4.48Å; L463-F496 HydrophobicContact CD2-CE2 3.93Å
464N97.3Very high97Very high27 Ų2773.6 Ų73.614%0.14435%0.348CS..Hα-helixtrans-63.2-45.5175.3-83.7-37000112L460 Q461 R466 F467 V468 W495 K499 D523L460-N464 VanDerWaalsContact O-CB 3.28Å; L460-N464 WeakPolarHBondContact O-CB 3.38Å; L460-N464 PolarHBondContact O-N 2.98Å; L460-N464 PolarHBondContact O-ND2 2.88Å; Q461-N464 PolarHBondContact O-N 3.46Å; N464-R466 PolarHBondContact O-N 2.96Å; N464-F467 WeakPolarHBondContact O-CB 3.49Å; N464-F467 PolarHBondContact O-N 2.68Å; N464-F467 VanDerWaalsContact O-N 3.1Å; N464-V468 PolarHBondContact O-N 3.33Å; N464-V468 VanDerWaalsContact O-N 3.1Å; N464-W495 VanDerWaalsContact OD1-CH2 3.3Å; N464-W495 WeakPolarHBondContact OD1-CH2 3.37Å; N464-W495 WeakPolarHBondContact OD1-CZ2 3.3Å; N464-K499 WeakPolarHBondContact OD1-CE 3.16Å; N464-K499 PolarHBondContact OD1-NZ 2.97Å; N464-D523 PolarHBondContact ND2-OD2 3.19Å
465R97Very high97.2Very high163 Ų16372 Ų7262%0.61534%0.34SS*.Hα-helixtrans-54.6-50.5175.1-176.6178.8-179.9173.63.4110.9Q461 M462 F467 V468 H469Q461-R465 VanDerWaalsContact O-CB 3.31Å; Q461-R465 WeakPolarHBondContact O-CB 3.29Å; Q461-R465 PolarHBondContact O-N 3.38Å; M462-R465 PolarHBondContact O-N 2.99Å; R465-F467 VanDerWaalsContact C-N 3.35Å; R465-F467 PolarHBondContact O-N 3.42Å; R465-V468 PolarHBondContact O-N 3.27Å; R465-H469 PolarHBondContact O-N 3.36Å; R465-H469 PolarHBondContact O-ND1 3.47Å
466R97.4Very high97.2Very high71 Ų7175 Ų7527%0.26836%0.363SS..Hα-helixtrans-64.5-37.8177.5179.768.580153.70.1111.9M462 L463 N464 V468 H469 S470 L473 E477 L481 F496M462-R466 PolarHBondContact O-N 2.86Å; L463-R466 PolarHBondContact O-N 3.35Å; N464-R466 PolarHBondContact O-N 2.96Å; R466-V468 VanDerWaalsContact C-N 3.31Å; R466-V468 PolarHBondContact O-N 3.18Å; R466-H469 PolarHBondContact O-N 2.88Å; R466-H469 VanDerWaalsContact O-N 3.09Å; R466-S470 PolarHBondContact O-N 3.15Å; R466-L473 HydrophobicContact CG-CD1 4.48Å; R466-L473 HydrophobicContact CG-CD2 3.66Å; R466-E477 IonicContact NH1-OE1 3.32Å; R466-E477 PolarHBondContact NH1-OE1 3.27Å; R466-L481 HydrophobicContact CB-CD1 4.35Å; R466-L481 HydrophobicContact CB-CD2 4.14Å; R466-L481 HydrophobicContact CG-CD2 4Å; R466-F496 HydrophobicContact CB-CZ 4.22Å; R466-F496 HydrophobicContact CG-CZ 3.93Å
467F97.9Very high97.2Very high1 Ų174.5 Ų74.50%0.00436%0.355CS..Hα-helixtrans-59.8-37.4178.8-169.6-95.6000113.8L463 N464 R465 H469 S470 Q471 W495 F496 K499 R500 L503 F516 L517L463-F467 WeakPolarHBondContact O-CB 3.29Å; L463-F467 PolarHBondContact O-N 3.44Å; N464-F467 WeakPolarHBondContact O-CB 3.49Å; N464-F467 PolarHBondContact O-N 2.68Å; N464-F467 VanDerWaalsContact O-N 3.1Å; R465-F467 VanDerWaalsContact C-N 3.35Å; R465-F467 PolarHBondContact O-N 3.42Å; F467-H469 VanDerWaalsContact C-N 3.34Å; F467-S470 CarbonylContact O-C 3.28Å; F467-S470 VanDerWaalsContact O-C 3.28Å; F467-Q471 HydrophobicContact CD1-CG 4.3Å; F467-Q471 HydrophobicContact CE1-CG 3.89Å; F467-Q471 HydrophobicContact CE2-CB 4.08Å; F467-Q471 HydrophobicContact CE2-CG 4.27Å; F467-Q471 HydrophobicContact CZ-CB 4.07Å; F467-Q471 HydrophobicContact CZ-CG 3.87Å; F467-Q471 WeakPolarHBondContact O-CG 3.4Å; F467-Q471 PolarHBondContact O-N 3.21Å; F467-W495 HydrophobicContact CB-CH2 4.02Å; F467-W495 HydrophobicContact CB-CZ3 3.93Å; F467-W495 HydrophobicContact CD2-CH2 4.45Å; F467-W495 AromaticContact CD2-CZ3 3.87Å; F467-W495 HydrophobicContact CD2-CZ3 3.87Å; F467-W495 HydrophobicContact CG-CH2 4.35Å; F467-W495 HydrophobicContact CG-CZ3 4.16Å; F467-F496 HydrophobicContact CB-CE1 4.16Å; F467-F496 HydrophobicContact CB-CZ 4.34Å; F467-F496 AromaticContact CD2-CD1 3.72Å; F467-F496 HydrophobicContact CD2-CD1 3.72Å; F467-F496 AromaticContact CD2-CE1 3.72Å; F467-F496 HydrophobicContact CD2-CE1 3.72Å; F467-F496 HydrophobicContact CD2-CG 4.49Å; F467-F496 HydrophobicContact CD2-CZ 4.48Å; F467-F496 HydrophobicContact CE2-CD1 4.29Å; F467-F496 HydrophobicContact CG-CE1 4.42Å; F467-K499 HydrophobicContact CD1-CG 3.76Å; F467-K499 HydrophobicContact CD2-CB 3.96Å; F467-K499 HydrophobicContact CD2-CG 3.73Å; F467-K499 HydrophobicContact CE1-CG 3.64Å; F467-K499 HydrophobicContact CE2-CB 3.64Å; F467-K499 HydrophobicContact CE2-CG 3.6Å; F467-K499 HydrophobicContact CG-CG 3.81Å; F467-K499 HydrophobicContact CZ-CB 3.97Å; F467-K499 HydrophobicContact CZ-CG 3.56Å; F467-R500 HydrophobicContact CE2-CG 3.82Å; F467-R500 HydrophobicContact CZ-CG 3.93Å; F467-L503 HydrophobicContact CE1-CD2 4.42Å; F467-L503 HydrophobicContact CZ-CD2 4.42Å; F467-F516 HydrophobicContact CE1-CE1 4.44Å; F467-L517 HydrophobicContact CD1-CD2 4.08Å; F467-L517 HydrophobicContact CE1-CD2 3.82Å
468V96.1Very high97.3Very high75 Ų7571 Ų7146%0.45533%0.333SS..Hα-helixtrans-65.3-37.9174.5175.80000111.5N464 R465 R466 L517N464-V468 PolarHBondContact O-N 3.33Å; N464-V468 VanDerWaalsContact O-N 3.1Å; R465-V468 PolarHBondContact O-N 3.27Å; R466-V468 VanDerWaalsContact C-N 3.31Å; R466-V468 PolarHBondContact O-N 3.18Å; V468-L517 WeakPolarHBondContact CG2-O 3.3Å
469H95.2Very high97.3Very high142 Ų14266.7 Ų66.766%0.65732%0.324SS*.Hα-helixtrans-75.9-39.9179.4-66.966000112.4R465 R466 F467R465-H469 PolarHBondContact O-N 3.36Å; R465-H469 PolarHBondContact O-ND1 3.47Å; R466-H469 PolarHBondContact O-N 2.88Å; R466-H469 VanDerWaalsContact O-N 3.09Å; F467-H469 VanDerWaalsContact C-N 3.34Å
470S96.3Very high97.3Very high36 Ų3668.2 Ų68.225%0.25234%0.339SS..  trans-151.1126.4170.31770000110.8R466 F467 Y472 F496R466-S470 PolarHBondContact O-N 3.15Å; F467-S470 CarbonylContact O-C 3.28Å; F467-S470 VanDerWaalsContact O-C 3.28Å; S470-Y472 PolarHBondContact O-N 3.26Å; S470-Y472 PolarHBondContact OG-N 2.81Å; S470-Y472 PolarHBondContact OG-O 2.64Å; S470-F496 WeakPolarHBondContact O-CE1 3.38Å
471Q96.8Very high97.4Very high62 Ų6266.7 Ų66.729%0.2933%0.33SS..SBendtrans-78.7-6.6175.6-57.4176.28.200112.6F467 R500F467-Q471 HydrophobicContact CD1-CG 4.3Å; F467-Q471 HydrophobicContact CE1-CG 3.89Å; F467-Q471 HydrophobicContact CE2-CB 4.08Å; F467-Q471 HydrophobicContact CE2-CG 4.27Å; F467-Q471 HydrophobicContact CZ-CB 4.07Å; F467-Q471 HydrophobicContact CZ-CG 3.87Å; F467-Q471 WeakPolarHBondContact O-CG 3.4Å; F467-Q471 PolarHBondContact O-N 3.21Å; Q471-R500 HydrophobicContact CB-CG 4.3Å; Q471-R500 VanDerWaalsContact O-CD 3.3Å; Q471-R500 WeakPolarHBondContact O-CD 3.02Å
472Y98.1Very high97.4Very high153 Ų15361.7 Ų61.760%0.631%0.308SS*.SBendtrans-136.599.8-173.4-70.7-101.6000110.1S470 R500S470-Y472 PolarHBondContact O-N 3.26Å; S470-Y472 PolarHBondContact OG-N 2.81Å; S470-Y472 PolarHBondContact OG-O 2.64Å; Y472-R500 VanDerWaalsContact CZ-CD 3.46Å
473L97.5Very high97.5Very high16 Ų1664.5 Ų64.58%0.08433%0.332CS..  trans-81.5129.3178.5-55.3-173.2000112.2R466 E477 R478 L481 V492 F496R466-L473 HydrophobicContact CG-CD1 4.48Å; R466-L473 HydrophobicContact CG-CD2 3.66Å; L473-E477 HydrophobicContact CB-CB 4.16Å; L473-E477 HydrophobicContact CD2-CB 4.26Å; L473-R478 HydrophobicContact CB-CB 4.23Å; L473-R478 HydrophobicContact CD1-CB 4.48Å; L473-R478 PolarHBondContact O-NH2 3.23Å; L473-L481 HydrophobicContact CD1-CD2 3.78Å; L473-V492 HydrophobicContact CD1-CG1 3.78Å; L473-F496 HydrophobicContact CD1-CD1 4.4Å; L473-F496 HydrophobicContact CD1-CD2 4.01Å; L473-F496 HydrophobicContact CD1-CE1 4.04Å; L473-F496 HydrophobicContact CD1-CE2 3.64Å; L473-F496 HydrophobicContact CD1-CG 4.4Å; L473-F496 HydrophobicContact CD1-CZ 3.67Å; L473-F496 HydrophobicContact CD2-CE1 3.86Å; L473-F496 HydrophobicContact CD2-CZ 4.02Å; L473-F496 HydrophobicContact CG-CD1 3.97Å; L473-F496 HydrophobicContact CG-CD2 4.44Å; L473-F496 HydrophobicContact CG-CE1 3.69Å; L473-F496 HydrophobicContact CG-CE2 4.21Å; L473-F496 HydrophobicContact CG-CG 4.35Å; L473-F496 HydrophobicContact CG-CZ 3.85Å
474N96.9Very high97.4Very high85 Ų8569.7 Ų69.746%0.45536%0.356SS..  trans-67.5173.9164.475.653.4000111.3T476 E477 R478N474-T476 PolarHBondContact O-N 3.18Å; N474-T476 WeakPolarHBondContact OD1-CB 3.36Å; N474-T476 PolarHBondContact OD1-N 3.4Å; N474-E477 VanDerWaalsContact CG-OE2 3.31Å; N474-E477 PolarHBondContact N-OE2 3.28Å; N474-E477 VanDerWaalsContact ND2-CD 3.33Å; N474-E477 WeakPolarHBondContact ND2-CG 3.42Å; N474-E477 PolarHBondContact ND2-OE2 3.08Å; N474-E477 PolarHBondContact OD1-N 2.92Å; N474-R478 VanDerWaalsContact O-CB 3.26Å; N474-R478 WeakPolarHBondContact O-CB 3.38Å; N474-R478 PolarHBondContact O-N 3.45Å
475L97Very high97.5Very high102 Ų10268.7 Ų68.753%0.53435%0.351SS..Hα-helixtrans-62.2-45.1-175.2-173.660.6000112.3R478 A479L475-R478 PolarHBondContact O-N 3.19Å; L475-A479 WeakPolarHBondContact O-CB 3.03Å; L475-A479 PolarHBondContact O-N 3.2Å
476T97.8Very high97.5Very high109 Ų10964.2 Ų64.267%0.66936%0.356SS*.Hα-helixtrans-66.7-43.8-179.5-45.80000112.1N474 R478 A479 S480N474-T476 PolarHBondContact O-N 3.18Å; N474-T476 WeakPolarHBondContact OD1-CB 3.36Å; N474-T476 PolarHBondContact OD1-N 3.4Å; T476-R478 VanDerWaalsContact C-N 3.32Å; T476-R478 PolarHBondContact O-N 2.85Å; T476-A479 PolarHBondContact O-N 3.13Å; T476-S480 VanDerWaalsContact O-CB 3.32Å; T476-S480 WeakPolarHBondContact O-CB 3.46Å; T476-S480 PolarHBondContact O-N 3.4Å
477E98Very high97.5Very high46 Ų4661.8 Ų61.822%0.21535%0.348CS..Hα-helixtrans-61.4-40.7174.6-71.7178120.200112.1R466 L473 N474 L481R466-E477 IonicContact NH1-OE1 3.32Å; R466-E477 PolarHBondContact NH1-OE1 3.27Å; L473-E477 HydrophobicContact CB-CB 4.16Å; L473-E477 HydrophobicContact CD2-CB 4.26Å; N474-E477 VanDerWaalsContact CG-OE2 3.31Å; N474-E477 PolarHBondContact N-OE2 3.28Å; N474-E477 VanDerWaalsContact ND2-CD 3.33Å; N474-E477 WeakPolarHBondContact ND2-CG 3.42Å; N474-E477 PolarHBondContact ND2-OE2 3.08Å; N474-E477 PolarHBondContact OD1-N 2.92Å; E477-L481 WeakPolarHBondContact O-CB 3.3Å; E477-L481 PolarHBondContact O-N 3.49Å
478R98.3Very high97.5Very high57 Ų5765.3 Ų65.322%0.21537%0.369CS..Hα-helixtrans-66.8-42.7178-171.5-172.6-52.4146.511.9111.5L473 N474 L475 T476 A482 Q489 V492L473-R478 HydrophobicContact CB-CB 4.23Å; L473-R478 HydrophobicContact CD1-CB 4.48Å; L473-R478 PolarHBondContact O-NH2 3.23Å; N474-R478 VanDerWaalsContact O-CB 3.26Å; N474-R478 WeakPolarHBondContact O-CB 3.38Å; N474-R478 PolarHBondContact O-N 3.45Å; L475-R478 PolarHBondContact O-N 3.19Å; T476-R478 VanDerWaalsContact C-N 3.32Å; T476-R478 PolarHBondContact O-N 2.85Å; R478-A482 WeakPolarHBondContact O-CB 3.38Å; R478-A482 PolarHBondContact O-N 3.46Å; R478-Q489 HydrophobicContact CG-CB 4.18Å; R478-Q489 HydrophobicContact CG-CG 4.44Å; R478-V492 HydrophobicContact CG-CB 4.23Å; R478-V492 HydrophobicContact CG-CG1 4.03Å
479A98.4Very high97.6Very high36 Ų3665.4 Ų65.430%0.29837%0.365SS..Hα-helixtrans-64.5-44.1175.300000112L475 T476 A482 S483L475-A479 WeakPolarHBondContact O-CB 3.03Å; L475-A479 PolarHBondContact O-N 3.2Å; T476-A479 PolarHBondContact O-N 3.13Å; A479-A482 PolarHBondContact O-N 2.94Å; A479-S483 WeakPolarHBondContact O-CB 3.49Å; A479-S483 PolarHBondContact O-N 3.31Å
480S98.1Very high97.7Very high64 Ų6463 Ų6345%0.44836%0.36SS..Hα-helixtrans-60.3-49.9175.6171.80000112.1T476 S483 Q484T476-S480 VanDerWaalsContact O-CB 3.32Å; T476-S480 WeakPolarHBondContact O-CB 3.46Å; T476-S480 PolarHBondContact O-N 3.4Å; S480-S483 PolarHBondContact O-N 3.28Å; S480-Q484 WeakPolarHBondContact O-CB 3.47Å; S480-Q484 PolarHBondContact O-N 3.4Å
481L98.3Very high97.7Very high3 Ų363.3 Ų63.32%0.01636%0.358CS..Hα-helixtrans-68.3-37.2179.2-169.571000112.5L463 R466 L473 E477 Q484 L485 V492 F496L463-L481 HydrophobicContact CD2-CD2 3.95Å; R466-L481 HydrophobicContact CB-CD1 4.35Å; R466-L481 HydrophobicContact CB-CD2 4.14Å; R466-L481 HydrophobicContact CG-CD2 4Å; L473-L481 HydrophobicContact CD1-CD2 3.78Å; E477-L481 WeakPolarHBondContact O-CB 3.3Å; E477-L481 PolarHBondContact O-N 3.49Å; L481-Q484 PolarHBondContact O-N 2.9Å; L481-L485 HydrophobicContact CD1-CD1 3.93Å; L481-L485 HydrophobicContact CD1-CG 4.2Å; L481-L485 HydrophobicContact CG-CD1 3.92Å; L481-L485 HydrophobicContact CG-CG 4.35Å; L481-L485 WeakPolarHBondContact O-CB 3.44Å; L481-L485 VanDerWaalsContact O-CG 3.3Å; L481-L485 WeakPolarHBondContact O-CG 3.5Å; L481-L485 PolarHBondContact O-N 2.98Å; L481-L485 VanDerWaalsContact O-N 3.07Å; L481-V492 HydrophobicContact CD2-CG1 4Å; L481-F496 HydrophobicContact CD2-CE2 3.87Å; L481-F496 HydrophobicContact CD2-CZ 4.23Å
482A98.4Very high97.8Very high5 Ų560.4 Ų60.44%0.04134%0.344CS..Hα-helixtrans-58.4-51.2173.900000111.1R478 A479 L485 G486 L487 Q489 V492R478-A482 WeakPolarHBondContact O-CB 3.38Å; R478-A482 PolarHBondContact O-N 3.46Å; A479-A482 PolarHBondContact O-N 2.94Å; A482-L485 PolarHBondContact O-N 3.38Å; A482-G486 PolarHBondContact O-N 3.34Å; A482-L487 CarbonylContact C-O 3.31Å; A482-L487 VanDerWaalsContact C-O 3.31Å; A482-L487 WeakPolarHBondContact CA-O 3.44Å; A482-L487 VanDerWaalsContact CB-O 3.24Å; A482-L487 WeakPolarHBondContact CB-O 3.48Å; A482-L487 PolarHBondContact O-N 3.18Å; A482-Q489 HydrophobicContact CB-CB 4.49Å; A482-Q489 HydrophobicContact CB-CG 3.84Å; A482-V492 HydrophobicContact CB-CG2 4.11Å
483S97.9Very high97.8Very high101 Ų10157.9 Ų57.971%0.70634%0.336SS*.Hα-helixtrans-59.1-48.9176.2-170.40000112A479 S480 L485 G486A479-S483 WeakPolarHBondContact O-CB 3.49Å; A479-S483 PolarHBondContact O-N 3.31Å; S480-S483 PolarHBondContact O-N 3.28Å; S483-L485 VanDerWaalsContact C-N 3.27Å; S483-L485 PolarHBondContact O-N 3.24Å; S483-G486 PolarHBondContact O-N 3.48Å
484Q97.7Very high97.8Very high110 Ų11060.9 Ų60.951%0.51435%0.352SS..Hα-helixtrans-59.4-35.1-179.4-173.2176.625.800113.2W458 S480 L481W458-Q484 WeakPolarHBondContact CH2-O 3.37Å; S480-Q484 WeakPolarHBondContact O-CB 3.47Å; S480-Q484 PolarHBondContact O-N 3.4Å; L481-Q484 PolarHBondContact O-N 2.9Å
485L97.7Very high97.8Very high5 Ų557.9 Ų57.93%0.02633%0.334CS..Hα-helixtrans-98.1-0.2-174-59.4-173.5000114.6W458 Q459 M462 L463 L481 A482 S483 L487W458-L485 HydrophobicContact CE3-CD2 4.2Å; W458-L485 HydrophobicContact CH2-CD2 3.64Å; W458-L485 HydrophobicContact CZ2-CD2 4.27Å; W458-L485 HydrophobicContact CZ3-CD2 3.6Å; Q459-L485 HydrophobicContact CG-CB 4.37Å; Q459-L485 PolarHBondContact NE2-O 3.27Å; M462-L485 HydrophobicContact CB-CD1 4.07Å; M462-L485 HydrophobicContact CB-CD2 3.51Å; M462-L485 HydrophobicContact CB-CG 4.41Å; M462-L485 HydrophobicContact CG-CD2 3.85Å; L463-L485 HydrophobicContact CD2-CD1 3.92Å; L463-L485 HydrophobicContact CG-CD1 3.73Å; L481-L485 HydrophobicContact CD1-CD1 3.93Å; L481-L485 HydrophobicContact CD1-CG 4.2Å; L481-L485 HydrophobicContact CG-CD1 3.92Å; L481-L485 HydrophobicContact CG-CG 4.35Å; L481-L485 WeakPolarHBondContact O-CB 3.44Å; L481-L485 VanDerWaalsContact O-CG 3.3Å; L481-L485 WeakPolarHBondContact O-CG 3.5Å; L481-L485 PolarHBondContact O-N 2.98Å; L481-L485 VanDerWaalsContact O-N 3.07Å; A482-L485 PolarHBondContact O-N 3.38Å; S483-L485 VanDerWaalsContact C-N 3.27Å; S483-L485 PolarHBondContact O-N 3.24Å; L485-L487 VanDerWaalsContact C-N 3.25Å; L485-L487 HydrophobicContact CB-CB 4.48Å; L485-L487 HydrophobicContact CB-CD1 4.09Å; L485-L487 HydrophobicContact CB-CG 4.03Å; L485-L487 HydrophobicContact CD1-CD1 4.42Å; L485-L487 PolarHBondContact O-N 3.19Å
486G97.6Very high97.9Very high70 Ų7053.4 Ų53.472%0.72231%0.31SS*.THydrogen-bonded Turntrans64.829.3-172.500000113.1A482 S483A482-G486 PolarHBondContact O-N 3.34Å; S483-G486 PolarHBondContact O-N 3.48Å
487L97.4Very high97.9Very high19 Ų1952.9 Ų52.910%0.09930%0.3CS..  trans-113.5154.6-177.4-65.3-178.5000111.1Y455 L463 A482 L485 V492Y455-L487 HydrophobicContact CD1-CD1 3.87Å; Y455-L487 HydrophobicContact CD1-CD2 3.87Å; Y455-L487 HydrophobicContact CE1-CD1 3.83Å; Y455-L487 HydrophobicContact CE1-CD2 3.81Å; Y455-L487 HydrophobicContact CE1-CG 4.48Å; L463-L487 HydrophobicContact CD1-CD1 4.16Å; A482-L487 CarbonylContact C-O 3.31Å; A482-L487 VanDerWaalsContact C-O 3.31Å; A482-L487 WeakPolarHBondContact CA-O 3.44Å; A482-L487 VanDerWaalsContact CB-O 3.24Å; A482-L487 WeakPolarHBondContact CB-O 3.48Å; A482-L487 PolarHBondContact O-N 3.18Å; L485-L487 VanDerWaalsContact C-N 3.25Å; L485-L487 HydrophobicContact CB-CB 4.48Å; L485-L487 HydrophobicContact CB-CD1 4.09Å; L485-L487 HydrophobicContact CB-CG 4.03Å; L485-L487 HydrophobicContact CD1-CD1 4.42Å; L485-L487 PolarHBondContact O-N 3.19Å; L487-V492 HydrophobicContact CB-CG2 4.22Å
488T97.8Very high97.9Very high75 Ų7555.3 Ų55.346%0.4632%0.315SS..  trans-72.8149.3169.963.40000111.1T490 Q491 V492T488-T490 PolarHBondContact O-N 3.27Å; T488-T490 VanDerWaalsContact O-N 3.1Å; T488-Q491 PolarHBondContact O-N 3.37Å; T488-Q491 WeakPolarHBondContact OG1-CB 3.3Å; T488-Q491 WeakPolarHBondContact OG1-CG 3.43Å; T488-Q491 PolarHBondContact OG1-N 3.06Å; T488-Q491 VanDerWaalsContact OG1-N 3.1Å; T488-Q491 PolarHBondContact OG1-OE1 2.99Å; T488-V492 PolarHBondContact O-N 3.33Å; T488-V492 VanDerWaalsContact O-N 3.1Å
489Q98.2Very high97.9Very high77 Ų7753 Ų5336%0.3631%0.306SS..Hα-helixtrans-54.3-30.5171.4-67.1-165.15200112.6R478 A482 K493R478-Q489 HydrophobicContact CG-CB 4.18Å; R478-Q489 HydrophobicContact CG-CG 4.44Å; A482-Q489 HydrophobicContact CB-CB 4.49Å; A482-Q489 HydrophobicContact CB-CG 3.84Å; Q489-K493 WeakPolarHBondContact O-CB 3.36Å; Q489-K493 PolarHBondContact O-N 3.38Å
490T97.5Very high97.8Very high91 Ų9154.9 Ų54.956%0.55831%0.306SS*.Hα-helixtrans-69.4-43.7176.3-55.60000112.3T488 V492 K493 I494T488-T490 PolarHBondContact O-N 3.27Å; T488-T490 VanDerWaalsContact O-N 3.1Å; T490-V492 VanDerWaalsContact C-N 3.34Å; T490-V492 PolarHBondContact O-N 2.87Å; T490-K493 PolarHBondContact O-N 3.34Å; T490-I494 HydrophobicContact CG2-CD1 3.94Å; T490-I494 WeakPolarHBondContact O-CB 3.42Å; T490-I494 VanDerWaalsContact O-CG1 3.29Å; T490-I494 WeakPolarHBondContact O-CG1 3.5Å; T490-I494 PolarHBondContact O-N 2.93Å
491Q97.3Very high97.8Very high44 Ų4454.4 Ų54.421%0.20630%0.302CS..Hα-helixtrans-60.2-44.4172.9-79.3157.2-46.700111.1Y455 T488 I494 W495Y455-Q491 HydrophobicContact CE1-CB 4.32Å; T488-Q491 PolarHBondContact O-N 3.37Å; T488-Q491 WeakPolarHBondContact OG1-CB 3.3Å; T488-Q491 WeakPolarHBondContact OG1-CG 3.43Å; T488-Q491 PolarHBondContact OG1-N 3.06Å; T488-Q491 VanDerWaalsContact OG1-N 3.1Å; T488-Q491 PolarHBondContact OG1-OE1 2.99Å; Q491-I494 PolarHBondContact O-N 2.86Å; Q491-W495 WeakPolarHBondContact O-CB 3.42Å; Q491-W495 PolarHBondContact O-N 3.06Å
492V98.1Very high97.7Very high1 Ų157.3 Ų57.31%0.00632%0.315CS..Hα-helixtrans-61.5-46.4174.5-179.80000111.2L463 L473 R478 L481 A482 L487 T488 T490 I494 W495 F496L463-V492 HydrophobicContact CD2-CG1 4.47Å; L473-V492 HydrophobicContact CD1-CG1 3.78Å; R478-V492 HydrophobicContact CG-CB 4.23Å; R478-V492 HydrophobicContact CG-CG1 4.03Å; L481-V492 HydrophobicContact CD2-CG1 4Å; A482-V492 HydrophobicContact CB-CG2 4.11Å; L487-V492 HydrophobicContact CB-CG2 4.22Å; T488-V492 PolarHBondContact O-N 3.33Å; T488-V492 VanDerWaalsContact O-N 3.1Å; T490-V492 VanDerWaalsContact C-N 3.34Å; T490-V492 PolarHBondContact O-N 2.87Å; V492-I494 VanDerWaalsContact C-N 3.33Å; V492-I494 PolarHBondContact O-N 3.28Å; V492-W495 PolarHBondContact O-N 3.1Å; V492-F496 HydrophobicContact CG1-CD2 3.81Å; V492-F496 HydrophobicContact CG1-CE2 3.99Å; V492-F496 WeakPolarHBondContact O-CD2 3.49Å; V492-F496 PolarHBondContact O-N 3.1Å
493K97.7Very high97.5Very high100 Ų10058.1 Ų58.144%0.43532%0.318SS..Hα-helixtrans-55.9-46.1176.3-175.2178.1-180176.70111.5Q489 T490 Q497Q489-K493 WeakPolarHBondContact O-CB 3.36Å; Q489-K493 PolarHBondContact O-N 3.38Å; T490-K493 PolarHBondContact O-N 3.34Å; K493-Q497 WeakPolarHBondContact O-CB 3.36Å; K493-Q497 PolarHBondContact O-N 2.73Å
494I97.5Very high97.4Very high78 Ų7859.9 Ų59.940%0.431%0.313SS..Hα-helixtrans-67.2-46.2179.6-69167.3000111.1T490 Q491 V492 F496 Q497 N498T490-I494 HydrophobicContact CG2-CD1 3.94Å; T490-I494 WeakPolarHBondContact O-CB 3.42Å; T490-I494 VanDerWaalsContact O-CG1 3.29Å; T490-I494 WeakPolarHBondContact O-CG1 3.5Å; T490-I494 PolarHBondContact O-N 2.93Å; Q491-I494 PolarHBondContact O-N 2.86Å; V492-I494 VanDerWaalsContact C-N 3.33Å; V492-I494 PolarHBondContact O-N 3.28Å; I494-F496 PolarHBondContact O-N 3.49Å; I494-Q497 WeakPolarHBondContact O-CB 3.39Å; I494-Q497 PolarHBondContact O-N 3.1Å; I494-Q497 VanDerWaalsContact O-N 3.15Å; I494-N498 VanDerWaalsContact O-CG 3.29Å; I494-N498 PolarHBondContact O-N 3.19Å
495W98.1Very high97.3Very high22 Ų2261.6 Ų61.68%0.08332%0.319CS..Hα-helixtrans-60.1-45.7178.8-173.2101.5000111.3Y455 L463 N464 F467 Q491 V492 Q497 N498 K499Y455-W495 AromaticContact CE2-CD1 3.83Å; L463-W495 VanDerWaalsContact C-CH2 3.48Å; L463-W495 HydrophobicContact CB-CD2 3.91Å; L463-W495 HydrophobicContact CB-CE3 3.95Å; L463-W495 HydrophobicContact CB-CH2 3.75Å; L463-W495 HydrophobicContact CB-CZ2 3.65Å; L463-W495 HydrophobicContact CB-CZ3 3.88Å; L463-W495 HydrophobicContact CD1-CD2 4Å; L463-W495 HydrophobicContact CD1-CG 3.93Å; L463-W495 HydrophobicContact CD2-CD2 4.23Å; L463-W495 HydrophobicContact CD2-CE3 4.15Å; L463-W495 HydrophobicContact CD2-CG 4.5Å; L463-W495 HydrophobicContact CG-CD2 4.27Å; L463-W495 HydrophobicContact CG-CE3 4.48Å; N464-W495 VanDerWaalsContact OD1-CH2 3.3Å; N464-W495 WeakPolarHBondContact OD1-CH2 3.37Å; N464-W495 WeakPolarHBondContact OD1-CZ2 3.3Å; F467-W495 HydrophobicContact CB-CH2 4.02Å; F467-W495 HydrophobicContact CB-CZ3 3.93Å; F467-W495 HydrophobicContact CD2-CH2 4.45Å; F467-W495 AromaticContact CD2-CZ3 3.87Å; F467-W495 HydrophobicContact CD2-CZ3 3.87Å; F467-W495 HydrophobicContact CG-CH2 4.35Å; F467-W495 HydrophobicContact CG-CZ3 4.16Å; Q491-W495 WeakPolarHBondContact O-CB 3.42Å; Q491-W495 PolarHBondContact O-N 3.06Å; V492-W495 PolarHBondContact O-N 3.1Å; W495-Q497 VanDerWaalsContact C-N 3.3Å; W495-Q497 PolarHBondContact O-N 2.97Å; W495-N498 PolarHBondContact O-N 2.91Å; W495-K499 HydrophobicContact CE3-CB 4.21Å; W495-K499 HydrophobicContact CH2-CB 4Å; W495-K499 HydrophobicContact CH2-CD 3.76Å; W495-K499 HydrophobicContact CH2-CG 3.74Å; W495-K499 HydrophobicContact CZ2-CB 4.43Å; W495-K499 HydrophobicContact CZ2-CD 3.89Å; W495-K499 HydrophobicContact CZ2-CG 4.3Å; W495-K499 HydrophobicContact CZ3-CB 3.89Å; W495-K499 HydrophobicContact CZ3-CG 4.04Å; W495-K499 WeakPolarHBondContact O-CB 3.42Å; W495-K499 PolarHBondContact O-N 3.29Å
496F98.3Very high97.1Very high8 Ų862.4 Ų62.44%0.03532%0.323CS..Hα-helixtrans-66.1-29.2176.4-88.7-100.3000113.4L463 R466 F467 S470 L473 L481 V492 I494 R500L463-F496 HydrophobicContact CD2-CE2 3.93Å; R466-F496 HydrophobicContact CB-CZ 4.22Å; R466-F496 HydrophobicContact CG-CZ 3.93Å; F467-F496 HydrophobicContact CB-CE1 4.16Å; F467-F496 HydrophobicContact CB-CZ 4.34Å; F467-F496 AromaticContact CD2-CD1 3.72Å; F467-F496 HydrophobicContact CD2-CD1 3.72Å; F467-F496 AromaticContact CD2-CE1 3.72Å; F467-F496 HydrophobicContact CD2-CE1 3.72Å; F467-F496 HydrophobicContact CD2-CG 4.49Å; F467-F496 HydrophobicContact CD2-CZ 4.48Å; F467-F496 HydrophobicContact CE2-CD1 4.29Å; F467-F496 HydrophobicContact CG-CE1 4.42Å; S470-F496 WeakPolarHBondContact O-CE1 3.38Å; L473-F496 HydrophobicContact CD1-CD1 4.4Å; L473-F496 HydrophobicContact CD1-CD2 4.01Å; L473-F496 HydrophobicContact CD1-CE1 4.04Å; L473-F496 HydrophobicContact CD1-CE2 3.64Å; L473-F496 HydrophobicContact CD1-CG 4.4Å; L473-F496 HydrophobicContact CD1-CZ 3.67Å; L473-F496 HydrophobicContact CD2-CE1 3.86Å; L473-F496 HydrophobicContact CD2-CZ 4.02Å; L473-F496 HydrophobicContact CG-CD1 3.97Å; L473-F496 HydrophobicContact CG-CD2 4.44Å; L473-F496 HydrophobicContact CG-CE1 3.69Å; L473-F496 HydrophobicContact CG-CE2 4.21Å; L473-F496 HydrophobicContact CG-CG 4.35Å; L473-F496 HydrophobicContact CG-CZ 3.85Å; L481-F496 HydrophobicContact CD2-CE2 3.87Å; L481-F496 HydrophobicContact CD2-CZ 4.23Å; V492-F496 HydrophobicContact CG1-CD2 3.81Å; V492-F496 HydrophobicContact CG1-CE2 3.99Å; V492-F496 WeakPolarHBondContact O-CD2 3.49Å; V492-F496 PolarHBondContact O-N 3.1Å; I494-F496 PolarHBondContact O-N 3.49Å; F496-R500 WeakPolarHBondContact O-CB 3.26Å; F496-R500 WeakPolarHBondContact O-CG 3.31Å; F496-R500 PolarHBondContact O-N 2.81Å; F496-R500 PolarHBondContact O-NE 3.48Å
497Q97.7Very high96.8Very high98 Ų9864.7 Ų64.746%0.45832%0.318SS..Hα-helixtrans-72.2-39.5172.5-176.1171.4-0.500111.7K493 I494 W495 S501K493-Q497 WeakPolarHBondContact O-CB 3.36Å; K493-Q497 PolarHBondContact O-N 2.73Å; I494-Q497 WeakPolarHBondContact O-CB 3.39Å; I494-Q497 PolarHBondContact O-N 3.1Å; I494-Q497 VanDerWaalsContact O-N 3.15Å; W495-Q497 VanDerWaalsContact C-N 3.3Å; W495-Q497 PolarHBondContact O-N 2.97Å; Q497-S501 WeakPolarHBondContact O-CB 3.32Å; Q497-S501 PolarHBondContact O-N 3.44Å; Q497-S501 VanDerWaalsContact O-N 3.08Å; Q497-S501 PolarHBondContact O-OG 2.88Å
498N97.8Very high96.6Very high98 Ų9873.3 Ų73.352%0.52435%0.349SS..Hα-helixtrans-69.6-47177.5-69.4-7.4000111.8I494 W495 R500 S501 K502I494-N498 VanDerWaalsContact O-CG 3.29Å; I494-N498 PolarHBondContact O-N 3.19Å; W495-N498 PolarHBondContact O-N 2.91Å; N498-R500 PolarHBondContact O-N 2.89Å; N498-S501 CarbonylContact O-C 3.57Å; N498-S501 WeakPolarHBondContact O-CA 3.28Å; N498-S501 WeakPolarHBondContact O-CB 3.38Å; N498-S501 PolarHBondContact O-N 3.39Å; N498-K502 PolarHBondContact O-N 3.47Å
499K97.4Very high96.3Very high9 Ų976 Ų764%0.03936%0.357CS..Hα-helixtrans-62.1-42.5178.4-167.183.4-175.7-175.80111.8N464 F467 W495 S501 K502 L503 F516 D523N464-K499 WeakPolarHBondContact OD1-CE 3.16Å; N464-K499 PolarHBondContact OD1-NZ 2.97Å; F467-K499 HydrophobicContact CD1-CG 3.76Å; F467-K499 HydrophobicContact CD2-CB 3.96Å; F467-K499 HydrophobicContact CD2-CG 3.73Å; F467-K499 HydrophobicContact CE1-CG 3.64Å; F467-K499 HydrophobicContact CE2-CB 3.64Å; F467-K499 HydrophobicContact CE2-CG 3.6Å; F467-K499 HydrophobicContact CG-CG 3.81Å; F467-K499 HydrophobicContact CZ-CB 3.97Å; F467-K499 HydrophobicContact CZ-CG 3.56Å; W495-K499 HydrophobicContact CE3-CB 4.21Å; W495-K499 HydrophobicContact CH2-CB 4Å; W495-K499 HydrophobicContact CH2-CD 3.76Å; W495-K499 HydrophobicContact CH2-CG 3.74Å; W495-K499 HydrophobicContact CZ2-CB 4.43Å; W495-K499 HydrophobicContact CZ2-CD 3.89Å; W495-K499 HydrophobicContact CZ2-CG 4.3Å; W495-K499 HydrophobicContact CZ3-CB 3.89Å; W495-K499 HydrophobicContact CZ3-CG 4.04Å; W495-K499 WeakPolarHBondContact O-CB 3.42Å; W495-K499 PolarHBondContact O-N 3.29Å; K499-S501 VanDerWaalsContact C-N 3.29Å; K499-S501 PolarHBondContact O-N 3.1Å; K499-K502 PolarHBondContact O-N 3.43Å; K499-L503 PolarHBondContact O-N 3.38Å; K499-F516 HydrophobicContact CD-CE1 4.11Å; K499-F516 HydrophobicContact CD-CE2 4.28Å; K499-F516 HydrophobicContact CD-CZ 3.53Å; K499-F516 HydrophobicContact CG-CE1 4.16Å; K499-F516 HydrophobicContact CG-CZ 3.96Å; K499-D523 IonicContact NZ-OD1 2.64Å; K499-D523 IonicContact NZ-OD2 2.68Å; K499-D523 PolarHBondContact NZ-OD2 3.05Å
500R97.5Very high95.9Very high75 Ų7575.8 Ų75.828%0.28338%0.375SS..Hα-helixtrans-60.7-34.5169.3-80.4-174.8-67143.3-0.7113.2F467 Q471 Y472 F496 N498 K504F467-R500 HydrophobicContact CE2-CG 3.82Å; F467-R500 HydrophobicContact CZ-CG 3.93Å; Q471-R500 HydrophobicContact CB-CG 4.3Å; Q471-R500 VanDerWaalsContact O-CD 3.3Å; Q471-R500 WeakPolarHBondContact O-CD 3.02Å; Y472-R500 VanDerWaalsContact CZ-CD 3.46Å; F496-R500 WeakPolarHBondContact O-CB 3.26Å; F496-R500 WeakPolarHBondContact O-CG 3.31Å; F496-R500 PolarHBondContact O-N 2.81Å; F496-R500 PolarHBondContact O-NE 3.48Å; N498-R500 PolarHBondContact O-N 2.89Å; R500-K504 WeakPolarHBondContact O-CB 3.47Å; R500-K504 PolarHBondContact O-N 2.85Å
501S97.5Very high95.4Very high54 Ų5476.6 Ų76.638%0.37837%0.373SS..Hα-helixtrans-72.9-37.1178.6-60.40000112.3Q497 N498 K499 K504 K505Q497-S501 WeakPolarHBondContact O-CB 3.32Å; Q497-S501 PolarHBondContact O-N 3.44Å; Q497-S501 VanDerWaalsContact O-N 3.08Å; Q497-S501 PolarHBondContact O-OG 2.88Å; N498-S501 CarbonylContact O-C 3.57Å; N498-S501 WeakPolarHBondContact O-CA 3.28Å; N498-S501 WeakPolarHBondContact O-CB 3.38Å; N498-S501 PolarHBondContact O-N 3.39Å; K499-S501 VanDerWaalsContact C-N 3.29Å; K499-S501 PolarHBondContact O-N 3.1Å; S501-K504 PolarHBondContact O-N 2.98Å; S501-K505 PolarHBondContact O-N 3.08Å; S501-K505 VanDerWaalsContact O-N 3.12Å
502K96Very high94.9Very high64 Ų6479.3 Ų79.328%0.27839%0.389SS..Hα-helixtrans-65-46.6171.3-167.7168.9171.6-176.80110.4N498 K499 K504 K505 I506 F516 D523 D527N498-K502 PolarHBondContact O-N 3.47Å; K499-K502 PolarHBondContact O-N 3.43Å; K502-K504 PolarHBondContact O-N 3.35Å; K502-K505 WeakPolarHBondContact O-CB 2.88Å; K502-K505 PolarHBondContact O-N 3.32Å; K502-K505 VanDerWaalsContact O-N 3.08Å; K502-I506 HydrophobicContact CG-CD1 4.28Å; K502-I506 WeakPolarHBondContact O-CG1 3.31Å; K502-I506 PolarHBondContact O-N 3.49Å; K502-I506 VanDerWaalsContact O-N 3.1Å; K502-F516 HydrophobicContact CB-CE2 4.06Å; K502-F516 HydrophobicContact CB-CZ 3.74Å; K502-F516 HydrophobicContact CD-CE2 3.56Å; K502-F516 HydrophobicContact CD-CZ 4.05Å; K502-F516 HydrophobicContact CG-CD2 4.43Å; K502-F516 HydrophobicContact CG-CE2 3.53Å; K502-F516 HydrophobicContact CG-CZ 3.78Å; K502-D523 IonicContact NZ-OD1 3.13Å; K502-D523 PolarHBondContact NZ-OD1 2.9Å; K502-D527 IonicContact NZ-OD2 3.16Å
503L95.7Very high94.4Very high21 Ų2181.1 Ų81.111%0.1140%0.4CS..Hα-helixtrans-54-46.5171.7179.760.5000113F467 K499 K505 I506 L507 P513 F516 L517F467-L503 HydrophobicContact CE1-CD2 4.42Å; F467-L503 HydrophobicContact CZ-CD2 4.42Å; K499-L503 PolarHBondContact O-N 3.38Å; L503-K505 VanDerWaalsContact C-N 3.3Å; L503-K505 PolarHBondContact O-N 3.18Å; L503-I506 PolarHBondContact O-N 3.45Å; L503-L507 PolarHBondContact O-N 3.02Å; L503-P513 HydrophobicContact CD1-CB 3.71Å; L503-F516 HydrophobicContact CB-CD1 4.05Å; L503-F516 HydrophobicContact CB-CE1 3.69Å; L503-F516 HydrophobicContact CD1-CD1 3.91Å; L503-F516 HydrophobicContact CD1-CE1 4.41Å; L503-L517 HydrophobicContact CD2-CD2 4.49Å
504K95.7Very high93.9Very high139 Ų13979.7 Ų79.760%0.60440%0.4SS*.Hα-helixtrans-67.2-27.1179-172.3175.865.4172.90113.2R500 S501 K502 R508R500-K504 WeakPolarHBondContact O-CB 3.47Å; R500-K504 PolarHBondContact O-N 2.85Å; S501-K504 PolarHBondContact O-N 2.98Å; K502-K504 PolarHBondContact O-N 3.35Å; K504-R508 VanDerWaalsContact O-CG 3.29Å; K504-R508 WeakPolarHBondContact O-CG 3.47Å; K504-R508 PolarHBondContact O-N 3.31Å
505K94.8Very high93.3Very high146 Ų14678 Ų7864%0.63540%0.398SS*.Hα-helixtrans-68.6-51.1171.1-74.6179.5175.3-173.50110.5S501 K502 L503 L507 R508 Q509S501-K505 PolarHBondContact O-N 3.08Å; S501-K505 VanDerWaalsContact O-N 3.12Å; K502-K505 WeakPolarHBondContact O-CB 2.88Å; K502-K505 PolarHBondContact O-N 3.32Å; K502-K505 VanDerWaalsContact O-N 3.08Å; L503-K505 VanDerWaalsContact C-N 3.3Å; L503-K505 PolarHBondContact O-N 3.18Å; K505-L507 PolarHBondContact O-N 3.31Å; K505-R508 WeakPolarHBondContact O-CB 3.24Å; K505-R508 PolarHBondContact O-N 3.15Å; K505-R508 VanDerWaalsContact O-N 3.07Å; K505-Q509 PolarHBondContact O-N 3.23Å; K505-Q509 VanDerWaalsContact O-N 3.12Å
506I92.8Very high92.8Very high21 Ų2177.1 Ų77.111%0.10840%0.395CS..Hα-helixtrans-57.3-49.6-179.1-67.3168000110.9K502 L503 R508 Q509 G510 Q511 F516K502-I506 HydrophobicContact CG-CD1 4.28Å; K502-I506 WeakPolarHBondContact O-CG1 3.31Å; K502-I506 PolarHBondContact O-N 3.49Å; K502-I506 VanDerWaalsContact O-N 3.1Å; L503-I506 PolarHBondContact O-N 3.45Å; I506-R508 VanDerWaalsContact C-N 3.27Å; I506-R508 PolarHBondContact O-N 2.86Å; I506-Q509 WeakPolarHBondContact O-CA 3.39Å; I506-Q509 WeakPolarHBondContact O-CB 3.34Å; I506-Q509 PolarHBondContact O-N 2.92Å; I506-G510 PolarHBondContact O-N 3.45Å; I506-Q511 HydrophobicContact CG2-CB 3.69Å; I506-Q511 PolarHBondContact O-N 3.25Å; I506-F516 HydrophobicContact CD1-CB 3.77Å; I506-F516 HydrophobicContact CD1-CD1 4.17Å; I506-F516 HydrophobicContact CD1-CD2 3.34Å; I506-F516 HydrophobicContact CD1-CE2 3.95Å; I506-F516 HydrophobicContact CD1-CG 3.45Å; I506-F516 VanDerWaalsContact CD1-CG 3.45Å
507L92Very high92.4Very high118 Ų11878.8 Ų78.862%0.61840%0.403SS*.Hα-helixtrans-62-31.2177.4-174.962.6000113.2L503 K505 Q509L503-L507 PolarHBondContact O-N 3.02Å; K505-L507 PolarHBondContact O-N 3.31Å; L507-Q509 VanDerWaalsContact C-N 3.32Å
508R93.2Very high91.5Very high201 Ų20179.7 Ų79.776%0.75841%0.412SS*.Hα-helixtrans-77.1-15.2173.6-75.9178.371.1-96.53.2113.8K504 K505 I506K504-R508 VanDerWaalsContact O-CG 3.29Å; K504-R508 WeakPolarHBondContact O-CG 3.47Å; K504-R508 PolarHBondContact O-N 3.31Å; K505-R508 WeakPolarHBondContact O-CB 3.24Å; K505-R508 PolarHBondContact O-N 3.15Å; K505-R508 VanDerWaalsContact O-N 3.07Å; I506-R508 VanDerWaalsContact C-N 3.27Å; I506-R508 PolarHBondContact O-N 2.86Å
509Q92.3Very high90Very high131 Ų13176.5 Ų76.561%0.61240%0.401SS*.THydrogen-bonded Turntrans-92.60.8175.5-71.8169.7-41.200112.2K505 I506 L507 Q511K505-Q509 PolarHBondContact O-N 3.23Å; K505-Q509 VanDerWaalsContact O-N 3.12Å; I506-Q509 WeakPolarHBondContact O-CA 3.39Å; I506-Q509 WeakPolarHBondContact O-CB 3.34Å; I506-Q509 PolarHBondContact O-N 2.92Å; L507-Q509 VanDerWaalsContact C-N 3.32Å; Q509-Q511 HydrophobicContact CB-CG 4.27Å; Q509-Q511 PolarHBondContact O-N 3.15Å
510G89Confident88.1Confident73 Ų7381.2 Ų81.275%0.75343%0.431SS*.THydrogen-bonded Turntrans71.49.6-177.600000114.2I506I506-G510 PolarHBondContact O-N 3.45Å
511Q86.7Confident86Confident108 Ų10880.4 Ų80.451%0.50544%0.435SS..  trans-75.4145175-70.1177.9-13.700110.4I506 Q509 P513I506-Q511 HydrophobicContact CG2-CB 3.69Å; I506-Q511 PolarHBondContact O-N 3.25Å; Q509-Q511 HydrophobicContact CB-CG 4.27Å; Q509-Q511 PolarHBondContact O-N 3.15Å; Q511-P513 WeakPolarHBondContact O-CD 3.05Å
512D87.3Confident83.6Confident101 Ų10184.1 Ų84.154%0.5445%0.45SS..  trans-67120.3177.4-177.10.4000110.8T514D512-T514 PolarHBondContact O-N 2.79Å; D512-T514 VanDerWaalsContact OD1-CG2 3.26Å; D512-T514 WeakPolarHBondContact OD1-CG2 3.38Å; D512-T514 PolarHBondContact OD1-N 2.96Å; D512-T514 PolarHBondContact OD1-OG1 3.2Å; D512-T514 PolarHBondContact OD2-OG1 3.01Å
513P88Confident81.7Confident38 Ų3882.8 Ų82.825%0.24745%0.446CS..Hα-helixtrans-67.9-12.2176.829.5-37.2000114.5L503 Q511 A515 F516 L517L503-P513 HydrophobicContact CD1-CB 3.71Å; Q511-P513 WeakPolarHBondContact O-CD 3.05Å; P513-A515 PolarHBondContact O-N 2.94Å; P513-F516 PolarHBondContact O-N 3.4Å; P513-L517 WeakPolarHBondContact O-CG 3.42Å; P513-L517 PolarHBondContact O-N 3.47Å
514T87.2Confident79.4Confident71 Ų7185 Ų8544%0.43646%0.461SS..Hα-helixtrans-55.9-48.6-17959.30000112.4D512 F516 L517 N518D512-T514 PolarHBondContact O-N 2.79Å; D512-T514 VanDerWaalsContact OD1-CG2 3.26Å; D512-T514 WeakPolarHBondContact OD1-CG2 3.38Å; D512-T514 PolarHBondContact OD1-N 2.96Å; D512-T514 PolarHBondContact OD1-OG1 3.2Å; D512-T514 PolarHBondContact OD2-OG1 3.01Å; T514-F516 VanDerWaalsContact C-N 3.3Å; T514-F516 PolarHBondContact O-N 3.44Å; T514-L517 PolarHBondContact O-N 3.1Å; T514-N518 VanDerWaalsContact O-CB 3.31Å; T514-N518 WeakPolarHBondContact O-CB 3.24Å; T514-N518 PolarHBondContact O-N 2.89Å
515A83.9Confident77.1Confident42 Ų4282.9 Ų82.935%0.34746%0.461SS..Hα-helixtrans-62.3-36.3179.500000112.7P513 T520P513-A515 PolarHBondContact O-N 2.94Å; A515-T520 PolarHBondContact O-OG1 3.2Å
516F88.4Confident74.6Confident4 Ų482.8 Ų82.82%0.01846%0.463CS..Hα-helixtrans-73.2-36.1178.4179.5-101.8000113.1F467 K499 K502 L503 I506 P513 T514F467-F516 HydrophobicContact CE1-CE1 4.44Å; K499-F516 HydrophobicContact CD-CE1 4.11Å; K499-F516 HydrophobicContact CD-CE2 4.28Å; K499-F516 HydrophobicContact CD-CZ 3.53Å; K499-F516 HydrophobicContact CG-CE1 4.16Å; K499-F516 HydrophobicContact CG-CZ 3.96Å; K502-F516 HydrophobicContact CB-CE2 4.06Å; K502-F516 HydrophobicContact CB-CZ 3.74Å; K502-F516 HydrophobicContact CD-CE2 3.56Å; K502-F516 HydrophobicContact CD-CZ 4.05Å; K502-F516 HydrophobicContact CG-CD2 4.43Å; K502-F516 HydrophobicContact CG-CE2 3.53Å; K502-F516 HydrophobicContact CG-CZ 3.78Å; L503-F516 HydrophobicContact CB-CD1 4.05Å; L503-F516 HydrophobicContact CB-CE1 3.69Å; L503-F516 HydrophobicContact CD1-CD1 3.91Å; L503-F516 HydrophobicContact CD1-CE1 4.41Å; I506-F516 HydrophobicContact CD1-CB 3.77Å; I506-F516 HydrophobicContact CD1-CD1 4.17Å; I506-F516 HydrophobicContact CD1-CD2 3.34Å; I506-F516 HydrophobicContact CD1-CE2 3.95Å; I506-F516 HydrophobicContact CD1-CG 3.45Å; I506-F516 VanDerWaalsContact CD1-CG 3.45Å; P513-F516 PolarHBondContact O-N 3.4Å; T514-F516 VanDerWaalsContact C-N 3.3Å; T514-F516 PolarHBondContact O-N 3.44Å
517L88.7Confident72.2Confident42 Ų4288.2 Ų88.222%0.2249%0.492CS..Hα-helixtrans-73.2-42176-69.8175.8000111.2F467 V468 L503 P513 T514 G519F467-L517 HydrophobicContact CD1-CD2 4.08Å; F467-L517 HydrophobicContact CE1-CD2 3.82Å; V468-L517 WeakPolarHBondContact CG2-O 3.3Å; L503-L517 HydrophobicContact CD2-CD2 4.49Å; P513-L517 WeakPolarHBondContact O-CG 3.42Å; P513-L517 PolarHBondContact O-N 3.47Å; T514-L517 PolarHBondContact O-N 3.1Å; L517-G519 PolarHBondContact O-N 2.9Å
518N79.1Confident70Confident118 Ų11888 Ų8863%0.63149%0.492SS*.THydrogen-bonded Turntrans-710.8-178.6-66.9-6.9000114.1T514 T520T514-N518 VanDerWaalsContact O-CB 3.31Å; T514-N518 WeakPolarHBondContact O-CB 3.24Å; T514-N518 PolarHBondContact O-N 2.89Å; N518-T520 PolarHBondContact O-N 3.09Å
519G67.9Low67.4Low30 Ų3086.2 Ų86.231%0.30949%0.492SS..THydrogen-bonded Turntrans72.36.617200000115.3L517 T521L517-G519 PolarHBondContact O-N 2.9Å; G519-T521 VanDerWaalsContact C-N 3.28Å; G519-T521 PolarHBondContact O-N 3.37Å
520T56Low64.7Low108 Ų10886.5 Ų86.566%0.66350%0.495SS*.  trans-75-16.3-18049.80000113.2A515 N518 N522A515-T520 PolarHBondContact O-OG1 3.2Å; N518-T520 PolarHBondContact O-N 3.09Å; T520-N522 PolarHBondContact O-N 2.98Å
521T54.1Low62Low59 Ų5986.9 Ų86.936%0.36250%0.499SS..SBendtrans-80.1104160.7620000109G519 D523G519-T521 VanDerWaalsContact C-N 3.28Å; G519-T521 PolarHBondContact O-N 3.37Å; T521-D523 PolarHBondContact O-N 3.42Å; T521-D523 VanDerWaalsContact O-N 3.17Å
522N46.9Very low59.5Low131 Ų13184.4 Ų84.470%0.70149%0.493SS*.  trans-52.6121.1174.8-69.7-32.3000110.3T520 T524T520-N522 PolarHBondContact O-N 2.98Å; N522-T524 WeakPolarHBondContact CB-OG1 3.41Å; N522-T524 PolarHBondContact O-N 3.36Å
523D56.1Low57.2Low37 Ų3787.6 Ų87.620%0.19851%0.511CS..  trans-80.452.5171.7-71.2-55.9000110.2N464 K499 K502 T521N464-D523 PolarHBondContact ND2-OD2 3.19Å; K499-D523 IonicContact NZ-OD1 2.64Å; K499-D523 IonicContact NZ-OD2 2.68Å; K499-D523 PolarHBondContact NZ-OD2 3.05Å; K502-D523 IonicContact NZ-OD1 3.13Å; K502-D523 PolarHBondContact NZ-OD1 2.9Å; T521-D523 PolarHBondContact O-N 3.42Å; T521-D523 VanDerWaalsContact O-N 3.17Å
524T48.1Very low55Low68 Ų6894.9 Ų94.942%0.41753%0.534SS..  trans-65139.6176.8-39.70000109.8N522 E526N522-T524 WeakPolarHBondContact CB-OG1 3.41Å; N522-T524 PolarHBondContact O-N 3.36Å; T524-E526 HydrophobicContact CG2-CG 4.06Å; T524-E526 PolarHBondContact O-N 2.9Å
525P47.4Very low52.9Low94 Ų94100.7 Ų100.761%0.6156%0.557SS**THydrogen-bonded Turntrans-68.413.7-175.4-24.136000117.9
526E41.2Very low50.9Low143 Ų143107.3 Ų107.367%0.66858%0.581SS**THydrogen-bonded Turntrans-92.8-20.6-164.5-64.7-179.1148.400114.4T524 D528 Q529T524-E526 HydrophobicContact CG2-CG 4.06Å; T524-E526 PolarHBondContact O-N 2.9Å; E526-D528 PolarHBondContact O-N 3.47Å; E526-Q529 PolarHBondContact O-N 3.49Å
527D43.1Very low48.7Very low135 Ų135113.3 Ų113.372%0.72261%0.613SS**THydrogen-bonded Turntrans-59.36.5178.7-76-14.8000115.8K502K502-D527 IonicContact NZ-OD2 3.16Å
528D45.2Very low46.7Very low115 Ų115115.6 Ų115.662%0.61563%0.632SS**THydrogen-bonded Turntrans-113.86.5179.9-104.3-27.3000113.2R452 E526R452-D528 IonicContact CZ-OD2 3.99Å; R452-D528 IonicContact NH1-OD2 2.77Å; R452-D528 PolarHBondContact NH1-OD2 3.07Å; R452-D528 IonicContact NH2-OD2 2.85Å; R452-D528 PolarHBondContact NH2-OD2 3.46Å; E526-D528 PolarHBondContact O-N 3.47Å
529Q38.6Very low45Very low163 Ų163117.1 Ų117.176%0.76264%0.635SS**  trans-86.2129.6167.6-68.6-166.55.900111.4E526E526-Q529 PolarHBondContact O-N 3.49Å
530M35.4Very low43.8Very low137 Ų137121.4 Ų121.468%0.67566%0.661SS**  trans40.5115.1155.9-50.4-56.9-73.500117.7S532M530-S532 VanDerWaalsContact C-N 3.32Å
531G32.7Very low43.1Very low81 Ų81123.9 Ų123.984%0.83567%0.669SS**  cis68.928.820.200000112.7
532S34.2Very low42.4Very low55 Ų55128 Ų12839%0.38569%0.689SS.*  trans-141.285.617354.50000110.6M530 Y534M530-S532 VanDerWaalsContact C-N 3.32Å; S532-Y534 VanDerWaalsContact C-N 3.32Å; S532-Y534 PolarHBondContact O-N 3.43Å; S532-Y534 VanDerWaalsContact O-N 3.08Å
533D39.6Very low41.9Very low169 Ų169127.9 Ų127.990%0.90470%0.696SS**  trans-69.994.5158.5-60.3-62.6000107.5
534Y40.3Very low41.1Very low190 Ų190129.3 Ų129.375%0.74572%0.72SS**  trans-119.9118.2167.3-61.2-41.8000107.6S532 E536S532-Y534 VanDerWaalsContact C-N 3.32Å; S532-Y534 PolarHBondContact O-N 3.43Å; S532-Y534 VanDerWaalsContact O-N 3.08Å; Y534-E536 PolarHBondContact O-N 2.96Å
535E45.1Very low40.5Very low194 Ų194133.3 Ų133.391%0.90774%0.739SS**  trans-69126.5177.2-64.3179.4124.400109.3D537E535-D537 PolarHBondContact O-N 2.74Å
536E41.7Very low40Very low181 Ų181135.5 Ų135.585%0.84675%0.751SS**  trans-81.764.8-178.6-165.6171.1-137.600110.5Y534 S538Y534-E536 PolarHBondContact O-N 2.96Å; E536-S538 PolarHBondContact O-N 3.36Å; E536-S538 PolarHBondContact O-OG 3.25Å
537D41.5Very low39.8Very low130 Ų130133.3 Ų133.370%0.69575%0.751SS**  trans-73.172.8-176.9-156.516.8000111E535 H539E535-D537 PolarHBondContact O-N 2.74Å; D537-H539 PolarHBondContact O-N 3.41Å
538S47.6Very low39.7Very low90 Ų90136.8 Ų136.863%0.62976%0.76SS**  trans-7980.3-170.242.30000111.5E536 S540E536-S538 PolarHBondContact O-N 3.36Å; E536-S538 PolarHBondContact O-OG 3.25Å; S538-S540 PolarHBondContact O-N 3.46Å
539H42Very low39.4Very low149 Ų149139.1 Ų139.169%0.6977%0.771SS**  trans-49.892.1176.1-70.7-37000113.6D537 L541D537-H539 PolarHBondContact O-N 3.41Å; H539-L541 PolarHBondContact O-N 2.81Å
540S42.7Very low39.3Very low121 Ų121136.2 Ų136.285%0.84677%0.769SS**  trans-77.764.6171.1-69.70000111.5S538 N542S538-S540 PolarHBondContact O-N 3.46Å; S540-N542 PolarHBondContact O-N 3.25Å
541L42.5Very low39.4Very low160 Ų160134.3 Ų134.384%0.83877%0.77SS**  trans-81.180.8173.1-76.5179.1000111.7H539H539-L541 PolarHBondContact O-N 2.81Å
542N39Very low39.8Very low146 Ų146136.9 Ų136.978%0.78176%0.764SS**  trans-161.1104138.1-157.8-6.3000114.6S540 G544S540-N542 PolarHBondContact O-N 3.25Å; N542-G544 PolarHBondContact OD1-N 3.39Å
543C35.7Very low40.1Very low127 Ų127142.1 Ų142.186%0.85878%0.783SS**  trans-150.369.8141.852.90000109.5D545C543-D545 PolarHBondContact O-N 3.47Å
544G38.8Very low40Very low67 Ų67140.6 Ų140.669%0.69177%0.773SS**  trans-70.8114.916900000110.9N542N542-G544 PolarHBondContact OD1-N 3.39Å
545D35.7Very low39.8Very low153 Ų153138.2 Ų138.282%0.81877%0.768SS**  trans-139.999.7155.9-155.6-15.3000110C543C543-D545 PolarHBondContact O-N 3.47Å
546T37.7Very low39.3Very low139 Ų139137.6 Ų137.685%0.85376%0.759SS**  trans-93.7104.8-173.250.50000111
547S36.9Very low39.1Very low97 Ų97133.9 Ų133.968%0.67875%0.753SS**  trans-149.4110.6163.458.60000114.2
548K41.8Very low39.1Very low208 Ų208131.3 Ų131.390%0.90475%0.745SS**  trans157.688.9139.1-86.8162.2-175.31730111.9
549L37.3Very low38.9Very low164 Ų164134.8 Ų134.886%0.85975%0.751SS**  trans-145121.2154.2-107.2171000109.3
550S36.9Very low38.8Very low103 Ų103135.6 Ų135.672%0.7276%0.755SS**  trans52.8133.2162.159.60000121.2
551S38.8Very low38.6Very low97 Ų97132.9 Ų132.968%0.67874%0.736SS**  33.1140.1126.4-66.20000121.6
552D39.6Very low38.3Very low135 Ų135135.6 Ų135.672%0.72274%0.735SS**  cis-166.7179.8-2.2-103.3-41.1000109
553Q41.2Very low38.3Very low165 Ų165134.5 Ų134.577%0.77173%0.728SS**  trans83.9122.8162.6-47.2-158.4-6.200116.7
554I37.7Very low38.3Very low137 Ų137134 Ų13470%0.70372%0.723SS**  75120.999.8-66.1173.1000112.1
555E35.4Very low38.2Very low139 Ų139139.4 Ų139.465%0.6573%0.73SS**  cis-165.7-177.60.5-137.5175170.100112.1
556Y35.3Very low38.1Very low182 Ų182137.6 Ų137.671%0.71473%0.73SS**  trans55.8114.1154.1-76.5-59.5000122.8
557S37.9Very low38.1Very low103 Ų103138 Ų13872%0.7273%0.725SS**  65.2149.6126.6-810000122.1
558S39.8Very low38Very low76 Ų76141.6 Ų141.653%0.53173%0.731SS.*  cis-170.9147.8-14.4-109.30000111
559H44.1Very low37.9Very low162 Ų162136.6 Ų136.675%0.7572%0.722SS**  trans63.8161.2165.3-47.8-41.6000115
560H39.5Very low37.4Very low166 Ų166135.9 Ų135.977%0.76972%0.719SS**  cis-156.3164.7-9.8-110.1-22.4000105.1
561S38.1Very low37.6Very low64 Ų64135.9 Ų135.945%0.44872%0.717SS.*  cis-165143.41.9-125.50000108.8
562R37.2Very low37.4Very low217 Ų217138.5 Ų138.582%0.81972%0.718SS**  trans66.8150.5148.8-57.4165.9-156.9-132.83118.8
563I38.3Very low37.3Very low124 Ų124139 Ų13964%0.63672%0.716SS**  cis-150.3134.2-18.1-100.5155.3000106
564P36.1Very low37Very low117 Ų117137.7 Ų137.776%0.7671%0.708SS**  trans-103.5152.2164.536.9-30000111.7
565H37.5Very low37Very low180 Ų180138.5 Ų138.583%0.83371%0.709SS**  trans-142127.7164-89.4-67.3000112.2
566S33.4Very low36.9Very low115 Ų115136.2 Ų136.280%0.80471%0.708SS**  trans-111.7127177.2430000110.7
567I37Very low36.9Very low146 Ų146135.1 Ų135.175%0.74971%0.713SS**  trans-145.1108.5171-59.3-177.3000104.2
568Q36Very low36.7Very low174 Ų174136.8 Ų136.881%0.81371%0.713SS**  90.2149.258-176.9176.2-11.800112.4
569S39.1Very low36.5Very low102 Ų102141.2 Ų141.271%0.71373%0.726SS**  trans73.5105.3173.822.70000119.6
570N27.7Very low36Very low149 Ų149138 Ų13880%0.79772%0.722SS**  trans-63.1146.9141.2-168.619.9000108.6
571P40Very low35.9Very low104 Ų104138.9 Ų138.968%0.67573%0.726SS**  -153.9157.888.441.6-23.1000117.9
572Q34.7Very low35.8Very low151 Ų151142.9 Ų142.971%0.70674%0.743SS**  trans37.3118134.3-61-80.7-5.600120.6
573H37.6Very low35.7Very low147 Ų147141.2 Ų141.268%0.68175%0.749SS**  -170.5120.2116.3-121-109000114.6
574F34.6Very low35.6Very low137 Ų137144 Ų14460%0.60176%0.759SS**  trans57.1143.9134-70.2-149.1000119.9
575H37.9Very low35.5Very low154 Ų154148 Ų14871%0.71377%0.765SS**  cis-153.8172.23.3-124.6-1.8000112.9
576S32.6Very low35.7Very low91 Ų91147.5 Ų147.564%0.63677%0.767SS**  trans-55.2159.6-175-44.60000115.8
577I36.2Very low36.1Very low159 Ų159151.6 Ų151.682%0.81577%0.77SS**  -167.711878.2-82.1154.3000107.1
578N33.2Very low35.9Very low137 Ų137152.4 Ų152.473%0.73378%0.776SS**  50.212783.8-76.43.9000114.1
579Q36.6Very low35.8Very low169 Ų169155.6 Ų155.679%0.7978%0.781SS**  cis-138148.519.5-81.3139.5-2.700107.7
580S32.8Very low35.7Very low95 Ų95156.9 Ų156.966%0.66478%0.784SS**  68.7135.65675.20000115
581E37Very low35.9Very low185 Ų185158.5 Ų158.586%0.86479%0.787SS**  trans72.7131.7-167.8-59159.7-155.900112.6
582D36.2Very low35.7Very low148 Ų148162.2 Ų162.279%0.79180%0.795SS**  cis-125.2147.22.3-84.6-46.7000112
583L36.3Very low35.6Very low181 Ų181164 Ų16495%0.94881%0.805SS**  trans-145.632.1173.7-121.2178.4000114.8
584E35.2Very low35.5Very low183 Ų183163.6 Ų163.686%0.85581%0.809SS**  trans-138.840.8-177-148.5169.9-123.900115.5
585F34.4Very low35.5Very low200 Ų200163.8 Ų163.888%0.87782%0.816SS**  trans-125.6168.3168.2-97.9-97.3000112.5
586I42.2Very low35.3Very low171 Ų171166.2 Ų166.288%0.87782%0.824SS**SBendtrans69.742.8-175.7-32.8178.8000114.6
587K40.8Very low35.5Very low200 Ų200170.5 Ų170.587%0.8784%0.835SS**SBendtrans-125.7-11.7156.1-123.9175.6-175.2176.30116
588N33.5Very low35.7Very low164 Ų164171.5 Ų171.588%0.87783%0.833SS**  trans-117.998.8178.4-71.3-24.6000111.8
589R34.2Very low35.7Very low241 Ų241172.2 Ų172.291%0.90984%0.837SS**  trans-15238.6163.2-159.7177.3-93.8-150.4-4.1113.2
590T35.6Very low35.8Very low128 Ų128170.6 Ų170.679%0.78584%0.839SS**SBendtrans-143.339.6-179.145.30000114.2
591H32.5Very low35.8Very low184 Ų184169.9 Ų169.985%0.85285%0.846SS**  trans-158.3157.8156.1-112.8-77.9000111.9
592E35.2Very low35.5Very low181 Ų181172.8 Ų172.885%0.84685%0.849SS**  trans98.868.4177-56.8-158.3147.200118.7
593M33.1Very low35.5Very low188 Ų188172.3 Ų172.393%0.92685%0.851SS**  trans-137.197.5140.1-77.2-164.274.300109.3
594N35.3Very low35.3Very low140 Ų140170.8 Ų170.875%0.74984%0.844SS**  trans-153.1153.2177.5-109.3-31.2000111.3
595N33.8Very low35.4Very low141 Ų141169.9 Ų169.975%0.75485%0.845SS**  trans72.650.3163.5-58.4-42.5000120.4
596F34.1Very low35.3Very low204 Ų204170.1 Ų170.190%0.89584%0.842SS**  trans-136.7130.3136.3-86.3-88.6000106.6
597Q38.1Very low35.1Very low182 Ų182168.6 Ų168.685%0.8584%0.835SS**  cis-124.1166.48.7-74.9129.4-85.200113.1
598K39.1Very low35Very low180 Ų180168 Ų16878%0.78383%0.833SS**  trans-118.6154.9167.9-98.2-179.9176.3173.30110.5
599N32.8Very low35.2Very low152 Ų152163.5 Ų163.581%0.81383%0.825SS**  trans72143.2179.4-43.3-32000112.3
600T39.2Very low35.2Very low135 Ų135161.6 Ų161.683%0.82882%0.82SS**  cis-146.7149.231.850.80000113.4
601G33.5Very low35.1Very low79 Ų79164.3 Ų164.381%0.81482%0.821SS**  trans64.4127.6160.100000117.1
602R29.8Very low35.2Very low247 Ų247160.5 Ų160.593%0.93281%0.812SS**  cis71.879.712.7-128.8-169.6-160.7164.35.9116.8
603T37.2Very low34.9Very low137 Ų137159.4 Ų159.484%0.8481%0.812SS**  trans-153.3145.8132.1310000108.9
604N31.2Very low34.9Very low149 Ų149158.5 Ų158.580%0.79781%0.811SS**  trans-105153.8166-57.5-17.5000107.4
605D38.2Very low34.5Very low164 Ų164159 Ų15988%0.87781%0.813SS**  trans-156.1164.4152.3-103.5-40.7000112.3
606Y31.5Very low34.6Very low205 Ų205157.1 Ų157.180%0.80481%0.811SS**  trans-109.3142.4-169.1-77.1-108.8000113.3
607D39Very low34.2Very low139 Ų139154.8 Ų154.874%0.74381%0.808SS**  168.1142128.9-91.8-23.5000109.1
608K38.3Very low33.9Very low187 Ų187151.2 Ų151.281%0.81380%0.799SS**  cis74.9110.448.6-71.9-171.4172.9-179.80114.7
609G37.8Very low33.5Very low70 Ų70148.1 Ų148.172%0.72280%0.8SS**  trans154.878-175.700000108.7
610Y33.5Very low33.4Very low202 Ų202150 Ų15079%0.79280%0.797SS**  68.9134.560.5-108.9-79.9000114.7
611F33.1Very low33.1Very low184 Ų184151.4 Ų151.481%0.80779%0.794SS**  trans82.3148.2176.9-60.1-71.6000118.4
612P35.6Very low33.1Very low104 Ų104155.7 Ų155.768%0.67580%0.797SS**  trans-137.9-167.9-140.242.2-21.4000114.9
613L29.3Very low33.3Very low159 Ų159147.8 Ų147.883%0.83278%0.779SS**  trans24.2115148.9-67.7168.9000118.2
614N32.2Very low33.3Very low169 Ų169149 Ų14990%0.90478%0.779SS**  -147.7150.3128.1-127-32.7000111.9
615N28.1Very low33.5Very low150 Ų150149.8 Ų149.880%0.80278%0.776SS**  trans-105.7121.4-167-175.610000111.5
616S34.1Very low33.4Very low101 Ų101146.9 Ų146.971%0.70677%0.768SS**  trans-154.5128.8166.462.10000112.1T618S616-T618 PolarHBondContact O-N 3.18Å
617N27.4Very low33.6Very low156 Ų156146.5 Ų146.583%0.83477%0.771SS**  trans-59.9126.9175-66.2-70.2000112.2
618T31.9Very low33.5Very low107 Ų107147.5 Ų147.566%0.65677%0.774SS**  trans-163.7138.9142.54.70000111.3S616 Y620S616-T618 PolarHBondContact O-N 3.18Å; T618-Y620 HydrophobicContact CG2-CE2 4.28Å
619S28.8Very low33.4Very low114 Ų114144 Ų14480%0.79777%0.771SS**  trans-76.1137.1165.7178.60000109.6
620Y30.9Very low33.5Very low191 Ų191146 Ų14675%0.74977%0.771SS**  trans-133.495.2170.8-89.8-72.8000112.8T618 L622T618-Y620 HydrophobicContact CG2-CE2 4.28Å; Y620-L622 PolarHBondContact O-N 3.45Å
621E33.4Very low33.7Very low166 Ų166145.9 Ų145.978%0.77678%0.777SS**  trans-42.9120.9149.4-107.3-72.3151.500111.2C623E621-C623 VanDerWaalsContact C-N 3.33Å; E621-C623 PolarHBondContact O-N 3.24Å
622L34.9Very low33.8Very low168 Ų168142 Ų14288%0.8877%0.773SS**  trans-86.173.2179.3-90.4175.6000112.2Y620 L624Y620-L622 PolarHBondContact O-N 3.45Å; L622-L624 PolarHBondContact O-N 3Å
623C34.1Very low33.7Very low81 Ų81144.1 Ų144.155%0.54778%0.779SS.*  trans-56.2125.3174.6168.40000113.9E621E621-C623 VanDerWaalsContact C-N 3.33Å; E621-C623 PolarHBondContact O-N 3.24Å
624L35.7Very low34Very low162 Ų162145.3 Ų145.385%0.84878%0.78SS**  trans-107.985.9161.3-84.7174.7000111.9L622L622-L624 PolarHBondContact O-N 3Å
625K36.3Very low34.3Very low167 Ų167142.5 Ų142.573%0.72677%0.771SS**  trans16.1133.8148.6-82.366.5173.41780116.6
626S36.3Very low34.6Very low102 Ų102141.2 Ų141.271%0.71377%0.768SS**  -160.2138.768.456.70000117.1
627K36Very low34.6Very low198 Ų198142.2 Ų142.286%0.86177%0.766SS**  trans40.7126.6137.6-54.9-179.9173.4-175.80117.8
628I35.9Very low34.7Very low159 Ų159142 Ų14282%0.81576%0.76SS**  -156.3157.467.2-84.8173.5000109.5
629P37.1Very low34.8Very low115 Ų115144 Ų14475%0.74777%0.765SS**  trans-99.5169.2-157.138.4-34.9000117.1
630P38.9Very low35.2Very low112 Ų112143.4 Ų143.473%0.72776%0.757SS**  trans-107.2165-175.441.2-35.3000115.4
631H37Very low35.7Very low198 Ų198141.6 Ų141.692%0.91776%0.755SS**  trans172.6151153.2-90.6-65.2000106.4
632S36.3Very low36Very low102 Ų102139.5 Ų139.571%0.71375%0.749SS**  cis-152.5175.90.854.10000111.5
633N32.9Very low36.4Very low150 Ų150138.7 Ų138.780%0.80275%0.746SS**  trans-59.9170.1172.9-41.7-17.3000112.1
634E35.4Very low36.7Very low183 Ų183143.9 Ų143.986%0.85576%0.762SS**  cis-147.7179.130.6-92.5-160.7124.900113.7
635P38.6Very low36.7Very low111 Ų111140.4 Ų140.472%0.72176%0.757SS**  trans-113.8-169.5-169.334.1-17.2000115.9
636V33.8Very low36.8Very low122 Ų122140.3 Ų140.374%0.73976%0.763SS**  trans113.1131.7154.3-178.80000118.5
637N34.1Very low36.8Very low122 Ų122141 Ų14165%0.65276%0.763SS**  trans80.4104.4157.3-79.7-10.8000124.1
638Q30.8Very low36.8Very low152 Ų152138.7 Ų138.771%0.7176%0.758SS**  77.9153115.1-70.2179.732.200122.4
639L33.6Very low37.1Very low148 Ų148136.1 Ų136.178%0.77575%0.752SS**  trans67.3137172.2-8871.5000116.5
640T38.2Very low36.9Very low102 Ų102135 Ų13563%0.62675%0.752SS**  cis-165.9161.4-20.51.80000110.1
641H41.2Very low37Very low154 Ų154136.7 Ų136.771%0.71375%0.75SS**  trans71.6126.8149-84-70.5000121.7
642D39.6Very low37Very low121 Ų121134.9 Ų134.965%0.64774%0.742SS**  trans85.8105.7134.9-54.4-14.8000123.1
643D42.1Very low36.8Very low152 Ų152140.8 Ų140.881%0.81375%0.75SS**  107.4149.9118.5-78.6-19.2000123.9
644E41.1Very low36.9Very low189 Ų189141.8 Ų141.888%0.88376%0.755SS**  trans59.587.3172.4-59.6-156.5135.900120.1
645A34.6Very low37.1Very low90 Ų90139.1 Ų139.174%0.74475%0.751SS**  trans-56.5137168.100000116
646I38.8Very low36.9Very low164 Ų164144.9 Ų144.984%0.84176%0.76SS**  trans-127.9115.2142.8-61.7-177.4000108.2
647T35.9Very low37.2Very low116 Ų116145.6 Ų145.671%0.71277%0.765SS**  trans-83.6122-170.9-54.20000112.8P649T647-P649 HydrophobicContact CG2-CG 4.3Å
648I37.7Very low37.5Very low150 Ų150144.4 Ų144.477%0.76977%0.772SS**  trans-122.4107.8166.1-56.6178.2000108.5A650I648-A650 PolarHBondContact O-N 2.98Å
649P42Very low37.9Very low106 Ų106143.2 Ų143.269%0.68878%0.778SS**  trans-76.7122.3179.5-14.129.7000112.2T647T647-P649 HydrophobicContact CG2-CG 4.3Å
650A32.5Very low38.2Very low91 Ų91146 Ų14675%0.75278%0.784SS**  trans-112.772.8176.600000111.7I648I648-A650 PolarHBondContact O-N 2.98Å
651H40.1Very low38.1Very low147 Ų147149.2 Ų149.268%0.68180%0.796SS**  trans-142143-178.8-64.2-96.1000110.1
652Q38.2Very low38.5Very low161 Ų161147.2 Ų147.275%0.75280%0.797SS**  cis-160.5172.4-16.1-126157.1-10.800108.8
653Y31.8Very low38Very low225 Ų225148.6 Ų148.688%0.88280%0.804SS**  trans-66.3138.7175.8-70.6-102.2000111.6
654L35.1Very low37.8Very low171 Ų171150.3 Ų150.390%0.89581%0.807SS**  trans-112.9106.2169-85.9168.8000110.5
655T39.8Very low37.7Very low127 Ų127148.8 Ų148.878%0.77980%0.8SS**  trans-89.7136.5168.243.10000110.5
656Y34Very low37.5Very low232 Ų232153 Ų15391%0.9180%0.804SS**  trans-71.8136.4176.9-93.5-106.5000112.7
657T39.5Very low37.3Very low137 Ų137150.7 Ų150.784%0.8480%0.803SS**  trans-135.3147.9157.647.90000109.9
658A41Very low36.9Very low97 Ų97153.1 Ų153.180%0.80281%0.811SS**  trans-95.3162.6-170.300000112.5
659P38.7Very low36.7Very low128 Ų128151.8 Ų151.883%0.83181%0.81SS**  trans-88167.6-156.135-37.4000115.6
660K39.1Very low35.9Very low206 Ų206154.8 Ų154.890%0.89681%0.813SS**  trans-115.7142.1162.1-76.5-177.1174.5179.50110.4
661L37.5Very low36Very low169 Ų169156.5 Ų156.589%0.88581%0.808SS**  trans-83.6143.8169-71.3157.6000110.4
662P48.2Very low35.5Very low113 Ų113156.9 Ų156.973%0.73481%0.81SS**  trans-88.7140.2164.234.1-30.3000111.6
663N30Very low35.3Very low150 Ų150153.1 Ų153.180%0.80281%0.806SS**  trans-118.1123.8163.8-92.8-8.3000107.8
664E38.5Very low35.4Very low188 Ų188150.1 Ų150.188%0.87980%0.801SS**  trans-131.7113164.6-64.2-175.7143.100106.4
665H38.1Very low35.4Very low156 Ų156147.9 Ų147.972%0.72279%0.789SS**  69.486.265.2-78.7-76.6000115.5
666Q30.5Very low35.4Very low179 Ų179149.9 Ų149.984%0.83679%0.789SS**  trans42119.8132.6-66.5174.4-40.300120
667S35.6Very low35.5Very low116 Ų116145 Ų14581%0.81178%0.784SS**  trans-142.5122.915158.50000110.9
668N26.7Very low35.6Very low166 Ų166144.5 Ų144.589%0.88878%0.783SS**  trans-109.5117.6178-84.5-15.1000111.2
669T33.1Very low35.5Very low123 Ų123143.6 Ų143.676%0.75578%0.775SS**  trans-155.9120.5163.1-26.20000106.2
670F26.3Very low35.5Very low169 Ų169144.3 Ų144.374%0.74177%0.772SS**  cis77152.344.8-160-97.1000114.2
671I34.5Very low35.5Very low127 Ų127140.2 Ų140.265%0.65176%0.76SS**  trans84.9103.6-164.7-57.4160.9000110
672Q29.5Very low35.6Very low155 Ų155138.5 Ų138.572%0.72475%0.75SS**  62.5130.476.9-64.1172.4-46.800112.7
673A33.1Very low35.2Very low81 Ų81139.8 Ų139.867%0.66975%0.747SS**  cis-159.9-157.9-900000106.8
674E33.8Very low35.6Very low163 Ų163138.6 Ų138.676%0.76274%0.74SS**  cis-163176.66.3-159.950.6-79.900110.2
675D35.7Very low35.6Very low123 Ų123137.1 Ų137.166%0.65873%0.733SS**  trans78.1119.7148.5-89.8-28.8000124.9
676H39.6Very low35.3Very low169 Ų169136.9 Ų136.978%0.78274%0.736SS**  trans94.7135.4139.5-76.739.6000122.4
677V35.9Very low35.5Very low131 Ų131134.9 Ų134.979%0.79473%0.731SS**  trans-136.5161.4-174.1-1470000108.9
678P42.3Very low35.3Very low125 Ų125133.8 Ų133.881%0.81272%0.719SS**  -150.8-176.296.534.4-14.8000113.5
679A39.1Very low35.6Very low79 Ų79133.4 Ų133.465%0.65371%0.712SS**  cis-178.7171.3-38.900000107.8
680N38.9Very low35.5Very low143 Ų143134.8 Ų134.877%0.76571%0.71SS**  trans85.2135179.5-53.4-36.8000116.4
681N39.2Very low35.8Very low120 Ų120131.2 Ų131.264%0.64271%0.706SS**  cis-161.3139.6-10.9-112.9-16.7000112.9
682I38.7Very low35.7Very low132 Ų132131.3 Ų131.368%0.67771%0.708SS**  49.8123.2129-66.2173.7000117.3
683Q41.1Very low35.7Very low141 Ų141130.7 Ų130.766%0.65971%0.71SS**  cis-163.6164.626.1-151.421.149.300114.7
684N37.3Very low35.7Very low125 Ų125133 Ų13367%0.66872%0.715SS**  trans74.397.6152.5-79.2-7000122.4
685H37.9Very low35.5Very low157 Ų157129.9 Ų129.973%0.72771%0.711SS**  100.763.1111-131.9-61.1000121.1
686L32.8Very low35Very low150 Ų150129.3 Ų129.379%0.78572%0.715SS**  trans-73.4159.6140.7-172.868.8000110.1
687L35.1Very low34.5Very low138 Ų138127.9 Ų127.972%0.72371%0.714SS**  trans163.2113.8153.2-86.4158.9000105.6
688T31.1Very low34.2Very low93 Ų93128.8 Ų128.857%0.57171%0.713SS**  cis105.6132.640.351.80000113.7
689E32.2Very low33.8Very low158 Ų158128.2 Ų128.274%0.73871%0.712SS**  trans85.5116.8143.9-73-164.1138.600124.4
690Q31.8Very low33.6Very low152 Ų152128.6 Ų128.671%0.7171%0.71SS**  72.7121.4124.2-64.1-164.447.600123.1
691S32.2Very low33.6Very low94 Ų94130.4 Ų130.466%0.65771%0.714SS**  trans97.9147.4132.1800000120.7
692N33.2Very low33.5Very low129 Ų129130.4 Ų130.469%0.6972%0.723SS**  trans72.693.4158.1-57.6-45.6000120
693N29.2Very low33.4Very low142 Ų142132.3 Ų132.376%0.75973%0.734SS**  56.9156.5119.1-58.9-25.9000122.4
694V31.9Very low33.3Very low130 Ų130130.9 Ų130.979%0.78874%0.739SS**  trans85.6107.4158.8-162.30000117.9
695S29.5Very low33.3Very low96 Ų96133.7 Ų133.767%0.67175%0.748SS**  trans61.9127.6147.377.10000122.4
696C26.4Very low33.3Very low111 Ų111131.4 Ų131.475%0.7575%0.749SS**  48.8138.6121.5-50.80000122.8
697N27.8Very low33.5Very low140 Ų140130.4 Ų130.475%0.74974%0.744SS**  trans92110.2143-67.4-12.4000121.9
698L31.5Very low33.6Very low149 Ų149128.2 Ų128.278%0.7874%0.737SS**  71.5146.9130-87.479.6000122
699S32.7Very low34.1Very low114 Ų114131.6 Ų131.680%0.79775%0.745SS**  trans74.5155.4151.1-86.40000117.8
700S34.8Very low34.4Very low86 Ų86129 Ų12960%0.60175%0.745SS**  cis-149-175.95.538.80000113.1
701H38.4Very low34.8Very low182 Ų182125.7 Ų125.784%0.84374%0.738SS**  trans87.9131.1173.9-50.4-79000115.2
702S37.9Very low35.2Very low119 Ų119130.4 Ų130.483%0.83275%0.747SS**  cis-126.5163.95.556.10000113.3
703L35.8Very low35.3Very low173 Ų173128.7 Ų128.791%0.90675%0.745SS**  trans-115.8132.7-172.4-84.2160.9000112.2
704S39.5Very low35.8Very low110 Ų110126.9 Ų126.977%0.76974%0.744SS**  trans-167.9114.913931.80000112.9
705Q38.3Very low35.8Very low185 Ų185126 Ų12686%0.86474%0.744SS**  trans34.6137.9137.4-55.7170.10.100120
706C36.9Very low36.7Very low109 Ų109126.5 Ų126.574%0.73674%0.744SS**  cis-170.6170.2-7.5-94.20000105.9
707N37.6Very low37Very low129 Ų129131.3 Ų131.369%0.6975%0.748SS**  cis-150.31502.1-113.5-1000107
708T38Very low37.4Very low92 Ų92128.7 Ų128.756%0.56474%0.741SS**  44.513690.883.70000116.4
709H41.4Very low37.8Very low163 Ų163129 Ų12976%0.75574%0.743SS**  cis-148.9151.923.5-83.4-83.5000115.4
710S38.3Very low38Very low105 Ų105126.6 Ų126.673%0.73474%0.736SS**  trans59.1151.2141.9-78.70000122.7
711S40.4Very low38.2Very low81 Ų81131.7 Ų131.757%0.56675%0.748SS**  cis-173.6138.2-17.2-102.30000111
712K38.7Very low38.1Very low193 Ų193129.5 Ų129.584%0.83974%0.737SS**  trans60.3152.1138.8-61.2174-175.4179.90120.1
713S37.3Very low38Very low94 Ų94131 Ų13166%0.65773%0.731SS**  cis-170.5172.7-1854.20000111.3
714S38.5Very low37.8Very low104 Ų104127.2 Ų127.273%0.72772%0.719SS**  trans62.995.4146.353.80000121.2
715S32.5Very low37.5Very low112 Ų112132.4 Ų132.478%0.78372%0.724SS**  trans-40.5-179.8131-124.90000114.9
716P48Very low37.2Very low105 Ų105127.9 Ų127.968%0.68271%0.712SS**  cis-139.9-162.8-822.55.5000114.5
717Y33.7Very low36.9Very low213 Ų213130.1 Ų130.184%0.83571%0.712SS**  trans98.8118.4150.2-97.7-91.8000123.6
718S36.3Very low36.7Very low84 Ų84130.5 Ų130.559%0.58771%0.714SS**  trans76.8144138.1-103.40000125.1
719D38.5Very low36.5Very low156 Ų156132.8 Ų132.883%0.83472%0.721SS**  trans53.5129.2149.5-52.53.4000118.9
720G37Very low36.2Very low63 Ų63132.8 Ų132.865%0.64972%0.721SS**  cis138.4154.98.400000110.3
721K38.4Very low36Very low194 Ų194133.2 Ų133.284%0.84372%0.716SS**  trans71.6152.3-179.2-56.1171.7-179.8175.40114.5
722Q38Very low35.8Very low135 Ų135137.2 Ų137.263%0.63173%0.725SS**  cis-159.1157.6-9.7-118.3165-42.900110.7
723Q35.7Very low35.5Very low150 Ų150135.1 Ų135.170%0.70172%0.719SS**  trans44.4114.7144.7-69.7154.2-35.200119.7
724S30.1Very low35.4Very low94 Ų94137.7 Ų137.766%0.65772%0.72SS**  77.3115.558.476.50000116.3
725Y33.9Very low35.3Very low220 Ų220140.4 Ų140.486%0.86373%0.726SS**  trans-171.5131.2148.2-87.3-61.3000106.2
726S32.3Very low35.1Very low89 Ų89139.8 Ų139.862%0.62272%0.722SS**  57.2138.480.7-68.50000113.6
727E30.5Very low34.4Very low157 Ų157147.2 Ų147.273%0.73474%0.736SS**  cis-174.9-175.6-10.4-120.8164.1130.300107.2
728N34.1Very low34.4Very low137 Ų137142.1 Ų142.173%0.73373%0.732SS**  trans77123.9173.7-45.9-69.1000114.7
729I31.9Very low34.3Very low139 Ų139143.5 Ų143.571%0.71374%0.741SS**  7610053.7-58.1161.3000112.7
730H35.6Very low34.1Very low163 Ų163141.2 Ų141.276%0.75574%0.738SS**  178.6155.9118.7-112.9-73.1000114.2
731N35.2Very low34Very low115 Ų115145.3 Ų145.362%0.61574%0.744SS**  trans73.3132.3157.2-62.16.9000117.5
732E34.6Very low33.9Very low165 Ų165141.8 Ų141.877%0.77174%0.741SS**  66.8130.758.1-62.9174.8171.600112
733E32.8Very low33.6Very low149 Ų149140.9 Ų140.970%0.69675%0.745SS**  cis-160.4-178.1-1.3-128.7-173.1157.400109.9
734H36.8Very low33.6Very low148 Ų148141.7 Ų141.769%0.68575%0.752SS**  trans51.7119163.9-61.6-61.1000120.6
735N34.9Very low33.7Very low161 Ų161145.4 Ų145.486%0.86176%0.759SS**  -177.1151.693.9-96.7-66.5000113
736S28.6Very low33.8Very low98 Ų98143.8 Ų143.869%0.68576%0.759SS**  trans-92.1159.517158.10000111.9
737W34.4Very low33.6Very low261 Ų261151 Ų15199%0.98977%0.773SS**  trans-150.2165.5144.6-96.31.9000110.5
738S32.2Very low33.8Very low106 Ų106149.2 Ų149.274%0.74178%0.778SS**  trans-150.1164.6-154.755.70000114
739S35.1Very low33.4Very low113 Ų113150 Ų15079%0.7978%0.782SS**  trans73.6159.1172.987.80000115
740S34.6Very low33.6Very low108 Ų108150.6 Ų150.676%0.75579%0.785SS**  cis-142.1158.713.6-77.10000113.2
741L34.7Very low33.6Very low150 Ų150149 Ų14979%0.78578%0.782SS**  trans-84.6172.8164.2-10776.8000111.5
742P36.2Very low33.6Very low119 Ų119150.9 Ų150.977%0.77379%0.787SS**  -137.1158.9119.137.9-28.3000115.1
743T30.4Very low33.4Very low117 Ų117149 Ų14972%0.71878%0.782SS**  trans-148.3139.1168.9-59.90000108
744I36.9Very low33.3Very low166 Ų166152.1 Ų152.185%0.85179%0.789SS**  trans-134.3143-179.8-63.2-178.2000109.7
745Q31.2Very low33.2Very low172 Ų172149.1 Ų149.180%0.80479%0.785SS**  trans-120.3149.9-175.7-54.3166-57.200111.4
746Q35.8Very low33Very low186 Ų186148.4 Ų148.487%0.86978%0.781SS**  trans-174.3123.9145.1-99.5150.643.100107.8
747R29.4Very low33.2Very low242 Ų242150.5 Ų150.591%0.91378%0.784SS**  78.7101.257.2-95.3-166.9167.8-127.60.9115.7
748S34.4Very low33.3Very low118 Ų118144.6 Ų144.683%0.82577%0.767SS**  -176.3163.9126.5490000112.3
749N26.7Very low33.5Very low153 Ų153148.3 Ų148.382%0.81877%0.77SS**  trans-105.4-167.9-179.3-62.8-3.6000111.4
750I36.1Very low33.4Very low152 Ų152150.4 Ų150.478%0.77977%0.765SS**  trans110.3129.6166.4-63.9162.5000113.4
751D34.5Very low33.4Very low131 Ų131150.7 Ų150.770%0.70176%0.764SS**  cis-159.8159.4-17.7-102-18.2000112.4
752E35.7Very low33.2Very low154 Ų154148.6 Ų148.672%0.7275%0.754SS**  trans35.8127.7148.7-61-147.9160.500126.4
753N29.3Very low33Very low124 Ų124149.6 Ų149.666%0.66376%0.762SS**  52.3135127.7-60.5-47.2000123.2
754Y31.8Very low32.8Very low216 Ų216149 Ų14985%0.84776%0.763SS**  -169.4116.5102.3-119.1-97.3000115.6
755S33.9Very low32.5Very low85 Ų85145.7 Ų145.759%0.59475%0.75SS**  trans43.2109.1142.5-57.90000124.4
756N30.7Very low32.5Very low146 Ų146146.8 Ų146.878%0.78175%0.748SS**  37.4132.6117.3-60.7-61.6000122
757L34.1Very low32.4Very low141 Ų141145.1 Ų145.174%0.73874%0.74SS**  -172.5128.7106.4-120.981.3000114.3
758Q35.6Very low32.5Very low138 Ų138138.8 Ų138.865%0.64573%0.729SS**  trans44.6138.9130.3-66.8176.92300121.5
759K35.8Very low32.3Very low183 Ų183140.7 Ų140.780%0.79673%0.73SS**  cis-161.1155.723.1-115.1148.1-177.8151.70113.4
760K32.7Very low32.8Very low157 Ų157138.7 Ų138.768%0.68373%0.725SS**  trans-86.3-173.7164.3-110.9167.7174.8-83.60110.5D762K760-D762 WeakPolarHBondContact CD-OD2 3.26Å; K760-D762 IonicContact NZ-OD1 2.63Å; K760-D762 PolarHBondContact NZ-OD1 2.95Å; K760-D762 IonicContact NZ-OD2 2.67Å; K760-D762 PolarHBondContact NZ-OD2 3.2Å
761P36.6Very low32.5Very low114 Ų114136.8 Ų136.874%0.7473%0.725SS**  cis-119.9163.912.413.513.7000114.2
762D30.1Very low32.3Very low107 Ų107142.5 Ų142.557%0.57274%0.737SS**  74.3114.858.1-51.2-40.2000116.7K760K760-D762 WeakPolarHBondContact CD-OD2 3.26Å; K760-D762 IonicContact NZ-OD1 2.63Å; K760-D762 PolarHBondContact NZ-OD1 2.95Å; K760-D762 IonicContact NZ-OD2 2.67Å; K760-D762 PolarHBondContact NZ-OD2 3.2Å
763C30.9Very low32.2Very low139 Ų139140.6 Ų140.694%0.93974%0.736SS**  trans-167.3137.5141.3-109.10000111.9
764S27.3Very low32.2Very low106 Ų106141 Ų14174%0.74175%0.745SS**  trans-91.5-176.2166.658.10000109.7
765T29.6Very low32.2Very low96 Ų96136.5 Ų136.559%0.58974%0.74SS**  cis-162.4169.223.1-36.80000109.3
766Y31.5Very low32Very low194 Ų194140 Ų14076%0.76175%0.752SS**  trans126.1133.6139.3-69.4-62.9000120.4
767H32.9Very low32Very low151 Ų151140.6 Ų140.670%0.69976%0.755SS**  trans6385.7146.2-70.8-57.8000123.8
768T33.2Very low31.9Very low110 Ų110142.9 Ų142.968%0.67576%0.762SS**  40.7126.2109.458.90000122.3
769N29.1Very low31.6Very low157 Ų157141 Ų14184%0.8477%0.765SS**  trans100.4147139-7812.3000121.2
770P36.4Very low31.5Very low111 Ų111140.6 Ų140.672%0.72177%0.769SS**  trans-124.1164-162.541.8-26.2000115.4
771S31.8Very low31.4Very low112 Ų112141.9 Ų141.978%0.78378%0.777SS**  trans-158.3118.7155.358.20000110.7
772W28.7Very low31.2Very low252 Ų252139.9 Ų139.996%0.95578%0.777SS**  trans-96.9118.6172-89.169.1000110.3
773T33.4Very low31.5Very low113 Ų113144.3 Ų144.369%0.69379%0.791SS**  trans-140.3123.5163.252.80000109
774P30.8Very low31.4Very low133 Ų133142.4 Ų142.486%0.86478%0.78SS**  trans-77133.7-175.230.5-34.2000111.7
775V31.9Very low31.7Very low121 Ų121145.1 Ų145.173%0.73379%0.786SS**  trans-117.6118.9174.5176.70000109.5N777V775-N777 PolarHBondContact O-N 2.83Å
776N28.2Very low31.9Very low158 Ų158149.2 Ų149.285%0.84580%0.799SS**  trans-58131.3168.8-88.3-12.1000110.7
777N32.1Very low32.1Very low159 Ų159147.1 Ų147.185%0.8580%0.799SS**  trans-145.3143.5154.1-97.6-36.5000110.2V775V775-N777 PolarHBondContact O-N 2.83Å
778Q31Very low32Very low189 Ų189145.9 Ų145.988%0.88380%0.798SS**  trans-92.1151-177.9-71.3177.5-44.600112
779S29.1Very low32.3Very low100 Ų100146.2 Ų146.270%0.69980%0.799SS**  trans56.2104.5146.7-1620000119.4
780I33.9Very low32.6Very low173 Ų173145 Ų14589%0.88779%0.793SS**  trans-128.8136.4136.6-62.2-176000107.5
781H31.5Very low33.1Very low184 Ų184145.4 Ų145.485%0.85279%0.793SS**  trans-64.7148.1-176-79-98.1000114
782G32.7Very low33.8Very low72 Ų72145.5 Ų145.574%0.74279%0.791SS**  trans-165.255179.600000117.6
783K35.7Very low34.6Very low200 Ų200139.7 Ų139.787%0.8778%0.778SS**  trans59102.9162.4-62.5179.7178-179.80118.9
784S29.2Very low35.7Very low100 Ų100137.4 Ų137.470%0.69977%0.765SS**  18118.3129.858.90000120
785D34Very low36.7Very low163 Ų163138 Ų13887%0.87276%0.756SS**  trans-146110.4130.5-90.5-39.7000107.1
786E32.2Very low38.1Very low182 Ų182136.5 Ų136.585%0.8575%0.751SS**  trans-93.3118.2-179.3-71.9179.9141.500110.4
787I37.1Very low39.4Very low150 Ų150138.2 Ų138.277%0.76975%0.746SS**  trans-101.590171.7-55.2178.9000108.3V789I787-V789 HydrophobicContact CG2-CG2 3.98Å; I787-V789 PolarHBondContact O-N 3.2Å
788N30.8Very low40.8Very low125 Ų125134.2 Ų134.267%0.66872%0.724SS**  trans-69.9124166.4-81.3-1.4000109.6D790N788-D790 PolarHBondContact ND2-OD2 2.98Å
789V38.5Very low41.9Very low116 Ų116128.9 Ų128.970%0.70371%0.706SS**  trans-108.858.6170.9-170.90000108.6I787 V791I787-V789 HydrophobicContact CG2-CG2 3.98Å; I787-V789 PolarHBondContact O-N 3.2Å; V789-V791 VanDerWaalsContact C-N 3.3Å; V789-V791 HydrophobicContact CG1-CG2 4Å; V789-V791 PolarHBondContact O-N 3.47Å
790D36.5Very low43.2Very low132 Ų132129.1 Ų129.171%0.70671%0.707SS**  trans-73.882173.6-72.7-55.2000110N788 P792N788-D790 PolarHBondContact ND2-OD2 2.98Å; D790-P792 WeakPolarHBondContact O-CD 3.45Å
791V46.5Very low44.4Very low120 Ų120125.7 Ų125.773%0.72770%0.699SS**  trans-92.3107.6170.9179.50000108.9V789 L793V789-V791 VanDerWaalsContact C-N 3.3Å; V789-V791 HydrophobicContact CG1-CG2 4Å; V789-V791 PolarHBondContact O-N 3.47Å; V791-L793 PolarHBondContact O-N 3.13Å
792P45.6Very low45.5Very low114 Ų114122.2 Ų122.274%0.7468%0.684SS**PPolyproline II helixtrans-70.9128.6-178.127.7-33.8000111.5D790D790-P792 WeakPolarHBondContact O-CD 3.45Å
793L46.9Very low46.3Very low130 Ų130123 Ų12368%0.68167%0.667SS**PPolyproline II helixtrans-58.6137.1175.1-85.1161.1000111.6V791 Q795 W797V791-L793 PolarHBondContact O-N 3.13Å; L793-Q795 PolarHBondContact O-N 2.81Å; L793-W797 HydrophobicContact CD2-CD2 4.44Å; L793-W797 HydrophobicContact CD2-CE3 3.62Å; L793-W797 HydrophobicContact CD2-CZ3 3.85Å
794P54.9Low46.7Very low65 Ų65121.1 Ų121.142%0.42267%0.666SS.*PPolyproline II helixtrans-58.9135.7179.3-26.435.5000113.1S796 W797P794-S796 WeakPolarHBondContact CB-OG 3.4Å; P794-S796 PolarHBondContact O-N 3.11Å; P794-W797 WeakPolarHBondContact O-CB 3.32Å; P794-W797 PolarHBondContact O-N 2.86Å
795Q52.4Low46.9Very low145 Ų145125.6 Ų125.668%0.67867%0.669SS**THydrogen-bonded Turntrans-59.6-14.7176.3-73.3-172.5-29.700114.3L793 W797 K803L793-Q795 PolarHBondContact O-N 2.81Å; Q795-W797 VanDerWaalsContact C-N 3.27Å; Q795-W797 PolarHBondContact O-N 3.4Å; Q795-K803 VanDerWaalsContact O-CE 3.24Å; Q795-K803 WeakPolarHBondContact O-CE 3.4Å
796S62.4Low46.8Very low89 Ų89127.1 Ų127.162%0.62267%0.671SS**THydrogen-bonded Turntrans-67-25.4171.148.20000113.2P794P794-S796 WeakPolarHBondContact CB-OG 3.4Å; P794-S796 PolarHBondContact O-N 3.11Å
797W53.6Low47Very low195 Ų195123.9 Ų123.974%0.73967%0.666SS**SBendtrans-87.3-10.5-178.7-66.523000113.1L793 P794 Q795L793-W797 HydrophobicContact CD2-CD2 4.44Å; L793-W797 HydrophobicContact CD2-CE3 3.62Å; L793-W797 HydrophobicContact CD2-CZ3 3.85Å; P794-W797 WeakPolarHBondContact O-CB 3.32Å; P794-W797 PolarHBondContact O-N 2.86Å; Q795-W797 VanDerWaalsContact C-N 3.27Å; Q795-W797 PolarHBondContact O-N 3.4Å
798L63.1Low46.9Very low75 Ų75125.7 Ų125.739%0.39367%0.671SS.*SBendtrans-77.4134173.2-71.7171.2000110.8K803L798-K803 HydrophobicContact CB-CG 4.25Å; L798-K803 WeakPolarHBondContact O-CE 3.37Å; L798-K803 PolarHBondContact O-NZ 3.29Å
799P52.6Low46.9Very low77 Ų77127.3 Ų127.350%0.568%0.678SS.*  trans-55.8146.5166.8-25.235.1000111.5S801 M802P799-S801 PolarHBondContact O-N 3.13Å; P799-M802 PolarHBondContact O-N 3.38Å
800S56.5Low46.6Very low105 Ų105126.6 Ų126.673%0.73468%0.679SS**THydrogen-bonded Turntrans-58.9-19.4-174.1-58.30000114.8
801S60.7Low46.2Very low101 Ų101127.4 Ų127.471%0.70668%0.683SS**THydrogen-bonded Turntrans-70.2-24.4173.749.10000114.5P799P799-S801 PolarHBondContact O-N 3.13Å
802M53.9Low45.5Very low110 Ų110128.1 Ų128.154%0.54269%0.688SS.*THydrogen-bonded Turntrans-102.3-6.6-172.6-61.4-165.177.400114.4P799 N804 Y805P799-M802 PolarHBondContact O-N 3.38Å; M802-N804 PolarHBondContact O-N 3.09Å; M802-Y805 PolarHBondContact O-N 2.95Å
803K50.3Low45.1Very low90 Ų90129 Ų12939%0.39169%0.685SS.*THydrogen-bonded Turntrans-67-7.9-173.6-64.7-174.8-178.3-178.40115.3Q795 L798Q795-K803 VanDerWaalsContact O-CE 3.24Å; Q795-K803 WeakPolarHBondContact O-CE 3.4Å; L798-K803 HydrophobicContact CB-CG 4.25Å; L798-K803 WeakPolarHBondContact O-CE 3.37Å; L798-K803 PolarHBondContact O-NZ 3.29Å
804N43.8Very low44.7Very low159 Ų159125.5 Ų125.585%0.8567%0.672SS**THydrogen-bonded Turntrans-112.86.9-179.1-68.8-19.5000114.2M802M802-N804 PolarHBondContact O-N 3.09Å
805Y32.9Very low44.2Very low195 Ų195128.6 Ų128.677%0.76569%0.69SS**  trans-99.9119176.3-102-93.3000111.5M802M802-Y805 PolarHBondContact O-N 2.95Å
806Q31.9Very low43.8Very low194 Ų194128.6 Ų128.691%0.90769%0.69SS**  trans-104.6114.5161.3-70.4-136.4-56.100109.1
807P36.7Very low42.9Very low114 Ų114128.7 Ų128.774%0.7468%0.68SS**  trans-91.5134.3168.119.7-5.1000110.8
808E34Very low42Very low189 Ų189123.1 Ų123.188%0.88367%0.67SS**  trans-69.1144.1167.3-67.5-173.4137.400110.6S810E808-S810 PolarHBondContact O-N 3Å
809I30.7Very low41Very low158 Ų158126.4 Ų126.481%0.8168%0.681SS**  trans-72.7112.9-167.8-56.2171.4000110.9
810S32.1Very low40.4Very low102 Ų102128 Ų12871%0.71369%0.685SS**  trans-146.396166.446.10000110.8E808 T812E808-S810 PolarHBondContact O-N 3Å; S810-T812 PolarHBondContact O-N 2.94Å
811N29.3Very low39.5Very low149 Ų149131.5 Ų131.580%0.79769%0.687SS**  trans-82.475.2-168.1-69.6-8.6000113.5
812T31.6Very low38.7Very low135 Ų135132.4 Ų132.483%0.82868%0.683SS**  trans-143.779.9164.855.40000111.8S810S810-T812 PolarHBondContact O-N 2.94Å
813L37.8Very low38.2Very low132 Ų132134.5 Ų134.569%0.69169%0.692SS**  trans-91.1135.9167.8-15575.2000109.8E817L813-E817 WeakPolarHBondContact CD1-OE2 3.42Å; L813-E817 HydrophobicContact CD2-CB 4.41Å; L813-E817 HydrophobicContact CG-CB 4.31Å
814S38.4Very low38Very low57 Ų57136.1 Ų136.140%0.39970%0.7SS.*  trans-88157.7-169.973.30000113.1E816 E817S814-E816 PolarHBondContact O-N 2.93Å; S814-E817 PolarHBondContact N-OE2 3.02Å; S814-E817 VanDerWaalsContact N-OE2 3.14Å; S814-E817 PolarHBondContact O-N 3.45Å; S814-E817 PolarHBondContact OG-OE2 3.34Å
815T44.4Very low38Very low130 Ų130134.5 Ų134.580%0.79869%0.687SS**THydrogen-bonded Turntrans-64.9-7.1-176.8-26.70000114.2
816E42.8Very low38.5Very low145 Ų145131.7 Ų131.768%0.67869%0.686SS**THydrogen-bonded Turntrans-91-32.1179.4-55.3-155.512700112.5S814 C818 K819S814-E816 PolarHBondContact O-N 2.93Å; E816-C818 VanDerWaalsContact C-N 3.31Å; E816-C818 PolarHBondContact O-N 2.93Å; E816-K819 WeakPolarHBondContact O-CB 3.46Å; E816-K819 PolarHBondContact O-N 3.37Å; E816-K819 VanDerWaalsContact O-N 3.13Å
817E43.7Very low39.1Very low91 Ų91126.4 Ų126.443%0.42567%0.67SS.*Hα-helixtrans-70-29.1-178.8-69.3165.5105.900112.2L813 S814 K819 L820L813-E817 WeakPolarHBondContact CD1-OE2 3.42Å; L813-E817 HydrophobicContact CD2-CB 4.41Å; L813-E817 HydrophobicContact CG-CB 4.31Å; S814-E817 PolarHBondContact N-OE2 3.02Å; S814-E817 VanDerWaalsContact N-OE2 3.14Å; S814-E817 PolarHBondContact O-N 3.45Å; S814-E817 PolarHBondContact OG-OE2 3.34Å; E817-K819 PolarHBondContact O-N 3.32Å; E817-L820 PolarHBondContact O-N 3.5Å
818C35.1Very low39.4Very low78 Ų78125.4 Ų125.453%0.52766%0.662SS.*Hα-helixtrans-63.5-18.1172.5-62.30000114E816E816-C818 VanDerWaalsContact C-N 3.31Å; E816-C818 PolarHBondContact O-N 2.93Å
819K41.2Very low39.8Very low143 Ų143120.8 Ų120.862%0.62264%0.643SS**Hα-helixtrans-75.2-36179-71.1179.5177170.30112.9E816 E817 F821 I822E816-K819 WeakPolarHBondContact O-CB 3.46Å; E816-K819 PolarHBondContact O-N 3.37Å; E816-K819 VanDerWaalsContact O-N 3.13Å; E817-K819 PolarHBondContact O-N 3.32Å; K819-F821 PolarHBondContact O-N 2.94Å; K819-I822 PolarHBondContact O-N 2.9Å
820L41.7Very low40.4Very low110 Ų110118 Ų11858%0.57663%0.627SS**Hα-helixtrans-67.7-24.9-177.4-70.2167.5000113.1E817 I822 H824E817-L820 PolarHBondContact O-N 3.5Å; L820-I822 VanDerWaalsContact C-N 3.34Å; L820-H824 PolarHBondContact O-ND1 2.92Å; L820-H824 VanDerWaalsContact O-ND1 3.15Å
821F36.9Very low40.8Very low180 Ų180121.4 Ų121.479%0.78962%0.624SS**THydrogen-bonded Turntrans-72.6-22175.4-93.2-86.8000114.1K819K819-F821 PolarHBondContact O-N 2.94Å
822I43.8Very low41.3Very low120 Ų120118.1 Ų118.162%0.61561%0.612SS**THydrogen-bonded Turntrans-77.7-30-180-60.4174.3000110.8K819 L820 H824K819-I822 PolarHBondContact O-N 2.9Å; L820-I822 VanDerWaalsContact C-N 3.34Å; I822-H824 VanDerWaalsContact C-N 3.28Å; I822-H824 PolarHBondContact O-N 3.3Å
823E42.5Very low42.2Very low154 Ų154117 Ų11772%0.7260%0.6SS**THydrogen-bonded Turntrans-76-11-174-158.9162.5-144.800114.1
824H46Very low42.6Very low123 Ų123115.7 Ų115.757%0.56959%0.593SS**THydrogen-bonded Turntrans-104.16-177.1-72.181.9000114.3L820 I822 D826L820-H824 PolarHBondContact O-ND1 2.92Å; L820-H824 VanDerWaalsContact O-ND1 3.15Å; I822-H824 VanDerWaalsContact C-N 3.28Å; I822-H824 PolarHBondContact O-N 3.3Å; H824-D826 PolarHBondContact O-N 3.31Å
825Q44.1Very low42.8Very low125 Ų125117.1 Ų117.158%0.58459%0.594SS**Hα-helixtrans-73.7-23.8-168.4-148.6166.532.700113.9N829Q825-N829 PolarHBondContact O-ND2 3.2Å
826D44Very low42.7Very low136 Ų136115.9 Ų115.973%0.72759%0.59SS**Hα-helixtrans-67.9-40.2177.2-76.6-31.9000112.5H824 V828 N829 Q830H824-D826 PolarHBondContact O-N 3.31Å; D826-V828 VanDerWaalsContact C-N 3.31Å; D826-V828 PolarHBondContact O-N 2.92Å; D826-N829 PolarHBondContact O-N 3.36Å; D826-Q830 PolarHBondContact O-N 3.18Å
827S44.5Very low42.6Very low83 Ų83116.1 Ų116.158%0.5860%0.596SS**Hα-helixtrans-60-38.8-176.7-55.10000113.2W831S827-W831 PolarHBondContact O-N 3.2Å
828V41.8Very low42.4Very low93 Ų93118.3 Ų118.356%0.56461%0.61SS**Hα-helixtrans-74-42.1179.8-176.70000110.5D826 Q830 W831 C832D826-V828 VanDerWaalsContact C-N 3.31Å; D826-V828 PolarHBondContact O-N 2.92Å; V828-Q830 VanDerWaalsContact C-N 3.33Å; V828-Q830 PolarHBondContact O-N 3.14Å; V828-W831 PolarHBondContact O-N 3.03Å; V828-C832 PolarHBondContact O-N 3.32Å; V828-C832 PolarHBondContact O-SG 3.21Å
829N43.8Very low42.5Very low93 Ų93123.6 Ų123.650%0.49762%0.624SS.*Hα-helixtrans-63.5-39.4176.5-77.2-65.2000111.9Q825 D826 C832 I833Q825-N829 PolarHBondContact O-ND2 3.2Å; D826-N829 PolarHBondContact O-N 3.36Å; N829-C832 PolarHBondContact O-N 3.47Å; N829-I833 WeakPolarHBondContact O-CG1 3.41Å; N829-I833 PolarHBondContact O-N 3.49Å
830Q42.4Very low42.3Very low99 Ų99122.4 Ų122.446%0.46363%0.631SS.*Hα-helixtrans-67.9-40.9177.9-163.958.653.600112.1D826 V828 C832 I833 D834D826-Q830 PolarHBondContact O-N 3.18Å; V828-Q830 VanDerWaalsContact C-N 3.33Å; V828-Q830 PolarHBondContact O-N 3.14Å; Q830-C832 VanDerWaalsContact C-N 3.28Å; Q830-C832 PolarHBondContact O-N 3.19Å; Q830-I833 PolarHBondContact O-N 3.08Å; Q830-D834 PolarHBondContact NE2-OD1 2.83Å; Q830-D834 PolarHBondContact O-N 2.75Å; Q830-D834 VanDerWaalsContact O-N 3.14Å
831W40.2Very low41.9Very low173 Ų173125.5 Ų125.566%0.65564%0.643SS**Hα-helixtrans-58.5-38.6174-175.974.8000112.6S827 V828 I833 D834 Q835S827-W831 PolarHBondContact O-N 3.2Å; V828-W831 PolarHBondContact O-N 3.03Å; W831-I833 VanDerWaalsContact C-N 3.32Å; W831-I833 PolarHBondContact O-N 2.98Å; W831-D834 PolarHBondContact O-N 3.5Å; W831-Q835 WeakPolarHBondContact O-CG 3.22Å
832C40.7Very low41.9Very low81 Ų81121.5 Ų121.555%0.54764%0.643SS.*Hα-helixtrans-70.1-23.8175.2-690000114.1V828 N829 Q830V828-C832 PolarHBondContact O-N 3.32Å; V828-C832 PolarHBondContact O-SG 3.21Å; N829-C832 PolarHBondContact O-N 3.47Å; Q830-C832 VanDerWaalsContact C-N 3.28Å; Q830-C832 PolarHBondContact O-N 3.19Å
833I51Low41.7Very low111 Ų111123.8 Ų123.857%0.56965%0.651SS**Hα-helixtrans-78.5-35.9176.6-71.1164.7000111.1N829 Q830 W831 Q835N829-I833 WeakPolarHBondContact O-CG1 3.41Å; N829-I833 PolarHBondContact O-N 3.49Å; Q830-I833 PolarHBondContact O-N 3.08Å; W831-I833 VanDerWaalsContact C-N 3.32Å; W831-I833 PolarHBondContact O-N 2.98Å; I833-Q835 VanDerWaalsContact C-N 3.31Å; I833-Q835 PolarHBondContact O-N 3.21Å
834D45.7Very low41.2Very low104 Ų104121.7 Ų121.756%0.55665%0.653SS**Hα-helixtrans-78.3-12.7-174.3-62-19.7000113.2Q830 W831 S836Q830-D834 PolarHBondContact NE2-OD1 2.83Å; Q830-D834 PolarHBondContact O-N 2.75Å; Q830-D834 VanDerWaalsContact O-N 3.14Å; W831-D834 PolarHBondContact O-N 3.5Å; D834-S836 PolarHBondContact O-N 2.93Å
835Q42.7Very low40.7Very low87 Ų87121.4 Ų121.441%0.40766%0.661SS.*  trans-80.340.3178.4-67.8-58.5-40.800114.8W831 I833 N837 L838W831-Q835 WeakPolarHBondContact O-CG 3.22Å; I833-Q835 VanDerWaalsContact C-N 3.31Å; I833-Q835 PolarHBondContact O-N 3.21Å; Q835-N837 PolarHBondContact O-N 3Å; Q835-L838 HydrophobicContact CB-CD1 4.3Å; Q835-L838 HydrophobicContact CG-CD1 4.42Å; Q835-L838 PolarHBondContact O-N 3.4Å
836S42.3Very low40.2Very low104 Ų104122.3 Ų122.373%0.72767%0.668SS**THydrogen-bonded Turntrans-66.82.4-173.1570000116.8D834D834-S836 PolarHBondContact O-N 2.93Å
837N41.6Very low40Very low150 Ų150122.3 Ų122.380%0.80267%0.667SS**THydrogen-bonded Turntrans-1222.4-176.1-79-56.2000115.5Q835 K839Q835-N837 PolarHBondContact O-N 3Å; N837-K839 VanDerWaalsContact C-N 3.34Å; N837-K839 PolarHBondContact O-N 3.47Å
838L37.8Very low39.6Very low137 Ų137127 Ų12772%0.71768%0.679SS**  trans-78.382.2178.1-75.5175.9000112Q835 P840Q835-L838 HydrophobicContact CB-CD1 4.3Å; Q835-L838 HydrophobicContact CG-CD1 4.42Å; Q835-L838 PolarHBondContact O-N 3.4Å; L838-P840 WeakPolarHBondContact O-CD 3.46Å
839K37.5Very low39.7Very low189 Ų189128.4 Ų128.482%0.82269%0.688SS**  trans-62.9116.6172.9-171.9-179.5-173.9-179.30110.1N837 Q841N837-K839 VanDerWaalsContact C-N 3.34Å; N837-K839 PolarHBondContact O-N 3.47Å; K839-Q841 PolarHBondContact O-N 3.41Å
840P37.6Very low39.7Very low119 Ų119129.9 Ų129.977%0.77370%0.702SS**  trans-69.1116.8-179.727.2-33.3000110.3L838 A842L838-P840 WeakPolarHBondContact O-CD 3.46Å; P840-A842 PolarHBondContact O-N 2.93Å
841Q32.1Very low39.3Very low175 Ų175134.5 Ų134.582%0.81872%0.724SS**  trans-79.394163.9-74.1-158.2-14.600108.9K839 E843K839-Q841 PolarHBondContact O-N 3.41Å; Q841-E843 PolarHBondContact O-N 3.45Å
842A37.8Very low39.4Very low96 Ų96133.7 Ų133.779%0.79373%0.727SS**  trans-76.795162.300000108.3P840 S844P840-A842 PolarHBondContact O-N 2.93Å; A842-S844 PolarHBondContact O-N 3.39Å
843E38.7Very low39.3Very low167 Ų167140 Ų14078%0.7874%0.741SS**  trans-63.8130.3167.1-69.5-168.113100109.5Q841 T845Q841-E843 PolarHBondContact O-N 3.45Å; E843-T845 PolarHBondContact O-N 3.42Å
844S31.9Very low39Very low110 Ų110141.2 Ų141.277%0.76975%0.754SS**  trans-82.678.9-169.357.50000112.1A842 I846A842-S844 PolarHBondContact O-N 3.39Å; S844-I846 PolarHBondContact O-N 3.05Å; S844-I846 VanDerWaalsContact O-N 3.08Å
845T36.9Very low38.6Very low118 Ų118150.8 Ų150.872%0.72478%0.784SS**  trans-73.795.9169.5-47.20000109.6E843 I847E843-T845 PolarHBondContact O-N 3.42Å; T845-I847 HydrophobicContact CG2-CG1 4.44Å; T845-I847 PolarHBondContact O-N 2.96Å
846I33.3Very low38.3Very low144 Ų144154 Ų15474%0.73880%0.803SS**  trans-68.1119.5175.5-61.2170.6000108.7S844 E848S844-I846 PolarHBondContact O-N 3.05Å; S844-I846 VanDerWaalsContact O-N 3.08Å; I846-E848 HydrophobicContact CG2-CG 4.34Å
847I40.1Very low38.1Very low136 Ų136156.6 Ų156.670%0.69781%0.807SS**  trans-119.2109.6167.5-60.3178.4000106.5T845T845-I847 HydrophobicContact CG2-CG1 4.44Å; T845-I847 PolarHBondContact O-N 2.96Å
848E35.9Very low37.9Very low181 Ų181156.9 Ų156.985%0.84681%0.807SS**  trans-71.1127175.1-64.4-178.5126.600109.8I846I846-E848 HydrophobicContact CG2-CG 4.34Å
849V44.9Very low38Very low123 Ų123158.1 Ų158.175%0.74581%0.813SS**  trans-114.8122.8170.8-177.50000107.4
850P42.4Very low38Very low123 Ų123156.2 Ų156.280%0.79981%0.812SS**  trans-62.1140.9-173.8-26.635.6000114.5E852P850-E852 PolarHBondContact O-N 3.49Å
851H35.2Very low38Very low196 Ų196158.7 Ų158.791%0.90782%0.815SS**  trans-77.3101.3172.5-91.3-73.7000111.9
852E41.8Very low38.4Very low156 Ų156157.5 Ų157.573%0.72981%0.814SS**  trans-139.5165.3149.8-71.2-161.1151.500109.6P850P850-E852 PolarHBondContact O-N 3.49Å
853Y39.1Very low38.5Very low213 Ų213162.2 Ų162.284%0.83582%0.816SS**  trans68.677.1180-56.1-81.7000116.9
854T43.4Very low38.4Very low137 Ų137161.8 Ų161.884%0.8482%0.819SS**  trans-84.7134.2150.250.20000110.7
855Y36.7Very low39Very low305 Ų305166.5 Ų166.5100%1.19682%0.823SS**  trans-154.20157.3-126-74.1000109.6

Retrieved 855 of 855 residues in 170.9 ms (Link to these results)