A0A087X7Q8_POEFO Loading...

Lin-54 DREAM MuvB core complex component

AlphaFold DB , UniProt , Accession A0A087X7Q8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 799 aa.

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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
1M41.4Very low39Very low236 Ų236150.4 Ų150.4100%1.16384%0.843SS**  0110.70-81.9159.790.600104
2D32.6Very low38.5Very low158 Ų158151.1 Ų151.185%0.84584%0.843SS**  trans-114.2136.7-176.1-84.5-89.7000110.2V4D2-V4 PolarHBondContact O-N 3.26Å
3V38.1Very low38.8Very low135 Ų135148.3 Ų148.382%0.81884%0.835SS**  trans-94.1101.2-174.7179.20000108.2S5V3-S5 PolarHBondContact O-N 3.08Å
4V35.8Very low39Very low134 Ų134149.9 Ų149.981%0.81284%0.84SS**  trans-77.5106.4171.2-179.50000108.7D2D2-V4 PolarHBondContact O-N 3.26Å
5S32.9Very low38.9Very low99 Ų99152.2 Ų152.269%0.69284%0.842SS**  trans-66.5143.4174.4-66.10000111.8V3 E7V3-S5 PolarHBondContact O-N 3.08Å; S5-E7 PolarHBondContact O-N 3.29Å
6P49.7Very low38.7Very low128 Ų128152.1 Ų152.183%0.83184%0.838SS**  trans-100.348.6-158.340.5-39.1000115.4
7E42.8Very low38.4Very low176 Ų176153.2 Ų153.282%0.82284%0.838SS**  trans-123.667.6-178.2-67.7-16212300113.9S5S5-E7 PolarHBondContact O-N 3.29Å
8L39Very low38Very low174 Ų174154.2 Ų154.291%0.91184%0.842SS**  trans-162.360.9164.1-117.6167.2000112.5
9N38.2Very low37.9Very low141 Ų141152.1 Ų152.175%0.75484%0.835SS**  trans-141.145.9175.2-157.598.8000112.6
10S42.2Very low37.7Very low114 Ų114153.3 Ų153.380%0.79783%0.834SS**  trans-157.599.1167.6-76.50000110.2
11L36.1Very low37.4Very low159 Ų159150.3 Ų150.383%0.83283%0.83SS**  trans-179.6134.3147.1-102.3165.8000109.7
12L33.7Very low37Very low159 Ų159143.7 Ų143.783%0.83280%0.798SS**SBendtrans69.8140.4172.7-52171000117.6
13P41.4Very low36.9Very low115 Ų115140.2 Ų140.275%0.74778%0.777SS**  cis-132.3144-44.735.2-20.7000113.2
14D41.8Very low36.5Very low170 Ų170141.9 Ų141.991%0.90978%0.776SS**  trans-96.7105.4175.1-81.7-59.3000112.1
15E38.4Very low36.4Very low185 Ų185141.4 Ų141.486%0.86477%0.773SS**  trans178.8144.1157.4-108.7173.8-175.400106.5
16I34.8Very low36.7Very low151 Ų151141.9 Ų141.977%0.77477%0.774SS**  cis-143135.415.9-48.6164.7000108.6
17M33.3Very low35.8Very low170 Ų170144.8 Ų144.884%0.83778%0.776SS**  trans167.3101.6135.7-96.4-164.871.800111.3
18D32.4Very low35Very low171 Ų171141.9 Ų141.991%0.91478%0.775SS**  trans-155.2147.6144.9-120.9-29.1000109
19T35.5Very low34.4Very low114 Ų114142.9 Ų142.970%0.69978%0.775SS**  trans-133.5117.9-165.7-58.30000112.2
20E33.2Very low33.9Very low177 Ų177141.6 Ų141.683%0.82778%0.777SS**  trans71.3152.8159-70.2-71.495.600121.2
21A32.9Very low33.3Very low90 Ų90144.1 Ų144.174%0.74478%0.776SS**  trans73.5130158.400000120.8
22I32.6Very low33.1Very low97 Ų97142.4 Ų142.450%0.49778%0.775SS.*  trans-150.2139.6176.6-47.5169.6000106.7T322 V323I22-T322 HydrophobicContact CB-CG2 3.9Å; I22-T322 HydrophobicContact CG2-CG2 3.7Å; I22-T322 WeakPolarHBondContact O-CG2 3.32Å; I22-V323 CarbonylContact O-C 3.43Å; I22-V323 PolarHBondContact O-N 3.01Å
23E30.1Very low32.8Very low85 Ų85140 Ų14040%0.39777%0.767SS.*  trans-150.4146.3144.8-132.7-160.7-12100118T322 V323 V324E23-T322 HydrophobicContact CB-CG2 4.19Å; E23-T322 HydrophobicContact CG-CG2 3.62Å; E23-V323 VanDerWaalsContact CB-C 3.47Å; E23-V323 VanDerWaalsContact CG-C 3.46Å; E23-V323 WeakPolarHBondContact OE1-CA 3.27Å; E23-V324 HydrophobicContact CB-CB 4.26Å; E23-V324 HydrophobicContact CB-CG2 4.31Å; E23-V324 VanDerWaalsContact CD-CA 3.46Å; E23-V324 HydrophobicContact CG-CB 4.31Å; E23-V324 WeakPolarHBondContact OE1-CA 3.41Å; E23-V324 WeakPolarHBondContact OE1-CB 3.28Å; E23-V324 PolarHBondContact OE1-N 3.25Å; E23-V324 WeakPolarHBondContact OE2-CB 3.4Å; E23-V324 WeakPolarHBondContact OE2-CG2 3.36Å
24E29.6Very low32.2Very low171 Ų171143.6 Ų143.680%0.79977%0.773SS**  trans-128150.6146.9-61-174.2111.900108.3
25V33.1Very low31.4Very low123 Ų123142.3 Ų142.375%0.74577%0.766SS**  trans156152.5144.9153.10000109.1
26P39.7Very low30.8Very low110 Ų110140 Ų14071%0.71477%0.766SS**  cis-112.1169.1-112.510.8000115
27H30Very low30.4Very low188 Ų188138.1 Ų138.187%0.8777%0.765SS**PPolyproline II helixtrans-91.8143153.8-123.962.6000109.7
28S27.2Very low30.4Very low116 Ų116136.2 Ų136.281%0.81176%0.763SS**PPolyproline II helixtrans-93.8145.5167.9-58.60000110.9
29Q27.1Very low30.9Very low195 Ų195133.6 Ų133.691%0.91176%0.755SS**PPolyproline II helixtrans-82.8146.6-176.4-64171.7-38.200112.5
30S26.9Very low30.6Very low114 Ų114135.4 Ų135.480%0.79776%0.758SS**  trans-162103.8147.461.60000111.4
31E28.4Very low30.4Very low166 Ų166136.2 Ų136.278%0.77676%0.761SS**  trans-66158.9152.1-72.6-83114.400108.8
32P32.4Very low30.6Very low123 Ų123137.8 Ų137.880%0.79976%0.762SS**  -137.5151.1102.337.7-28000114.5
33T27.5Very low30.4Very low110 Ų110140.7 Ų140.768%0.67578%0.779SS**  trans-71.2157.6169.446.60000112.5
34H29.3Very low30.5Very low189 Ų189140.1 Ų140.188%0.87579%0.788SS**  trans-164.3131.8141-118-74.8000112.4
35D25.1Very low31.7Very low143 Ų143137.5 Ų137.577%0.76579%0.786SS**  trans-68.3157.6165.7-72.2-85.9000112.5
36T26.8Very low31.5Very low138 Ų138138.1 Ų138.185%0.84779%0.79SS**  -169.2141.4125.6-74.10000112.7
37S25.6Very low30.9Very low110 Ų110139.2 Ų139.277%0.76980%0.795SS**  trans-53156.9-176.4-44.30000121
38V33.7Very low31.1Very low130 Ų130135.3 Ų135.379%0.78879%0.789SS**  trans-53.8140.9154.8167.70000112.1M40V38-M40 HydrophobicContact CG1-CB 4.28Å
39P42.4Very low31.1Very low116 Ų116139.1 Ų139.175%0.75379%0.793SS**  -123.7154.190.72.520.4000112.6
40M29.9Very low31.2Very low152 Ų152135.1 Ų135.175%0.74979%0.787SS**  cis82.2111.736.3-165.9-156.684.600114.7V38V38-M40 HydrophobicContact CG1-CB 4.28Å
41E28.2Very low31.3Very low194 Ų194137.1 Ų137.191%0.90779%0.788SS**  trans-143145.2144.8-76.9-154.9112.900109.4
42T36.9Very low31.3Very low123 Ų123135.6 Ų135.676%0.75579%0.785SS**  trans-152.7126.7-179.3-62.40000108.5
43D28.5Very low31.1Very low159 Ų159135.1 Ų135.185%0.8578%0.78SS**  trans-142.2106.7171.3-141.1-50000106.6
44A33Very low31.1Very low73 Ų73135.5 Ų135.560%0.60379%0.786SS**  cis88.4167.749.500000111.8
45P53.6Low31.2Very low115 Ų115131.2 Ų131.275%0.74778%0.778SS**  -139.3156.9-107.336.6-16.1000117.8
46V29.8Very low31.5Very low137 Ų137131.7 Ų131.783%0.8378%0.78SS**  trans-163.8152.4162-84.10000108.9
47T27.5Very low31.7Very low133 Ų133129.9 Ų129.982%0.81678%0.779SS**  cis-150.9164.6-6.26.10000109.7
48S32.6Very low32.1Very low106 Ų106131 Ų13174%0.74178%0.781SS**  trans-87.9153.517553.50000114.1
49E27.2Very low32.8Very low195 Ų195131.1 Ų131.191%0.91179%0.785SS**  trans-161.4160.1137.7-118.9176.8166.400113
50S30.5Very low32.6Very low112 Ų112130.3 Ų130.378%0.78379%0.788SS**  trans-151.2146.9-172.1-58.40000110.9
51L28.1Very low32.8Very low155 Ų155130.4 Ų130.481%0.81279%0.787SS**  trans175.7126157.9-92.9156.2000107.5
52N29.1Very low33Very low134 Ų134130.6 Ų130.672%0.71778%0.779SS**  64.5139.289.2-73.47.8000115.5
53T28.6Very low32.9Very low113 Ų113129.4 Ų129.469%0.69377%0.771SS**  cis-170.3161.10.813.80000112
54C27.1Very low33.2Very low118 Ų118130.3 Ų130.380%0.79777%0.771SS**  trans68.9157.3152.8-72.60000119.9
55S31.3Very low33.2Very low100 Ų100131.4 Ų131.470%0.69978%0.78SS**  cis-160.3163.3-6.8-109.10000114.2
56N31.3Very low32.2Very low153 Ų153129.5 Ų129.582%0.81877%0.774SS**  trans-11.4147165.7-56.9-9.6000122.2
57A29.9Very low32.4Very low99 Ų99129.8 Ų129.882%0.81878%0.775SS**  179.4153.1101.600000114.9
58T34.6Very low32.7Very low134 Ų134127.5 Ų127.582%0.82277%0.77SS**  trans-133.9166.616553.10000110.1
59P48.9Very low32.8Very low133 Ų133127.4 Ų127.486%0.86478%0.776SS**  trans-140.9174.7130.937.6-24.5000113.9
60A38.4Very low33Very low98 Ų98122.5 Ų122.581%0.8177%0.769SS**  trans-155.4151.7-178.400000113.4
61E32.9Very low33.2Very low155 Ų155122.1 Ų122.172%0.72477%0.773SS**  trans-165.1170.7166.6-73.4-146.9136.100108.7
62R33.9Very low33.4Very low197 Ų197119 Ų11974%0.74377%0.769SS**  cis-173.4168.8-32.8-96159.577-171.5-1.9107.2
63V33.2Very low33.4Very low99 Ų99120 Ų12060%0.677%0.774SS**  cis-171.5154.9-40.7730000109
64Q35Very low33.5Very low178 Ų178120 Ų12083%0.83278%0.778SS**  trans64.9169168.4-74.2149.7-3.200118
65A34.1Very low33.8Very low96 Ų96118.9 Ų118.979%0.79378%0.778SS**  cis-173.2-173.8-3900000107.6
66A33Very low34.7Very low75 Ų75120.5 Ų120.562%0.6279%0.786SS**  cis-163.3169.1-0.800000111.2
67T32.7Very low34.4Very low142 Ų142116.7 Ų116.787%0.87178%0.783SS**  trans61.6153.9149.9510000122
68A33.7Very low34.6Very low86 Ų86117.7 Ų117.771%0.71178%0.784SS**  cis-172.4159.3-21.200000112.9
69A34.5Very low34.4Very low103 Ų103119.9 Ų119.985%0.85179%0.785SS**  trans59.1155.6148.400000122.5
70A32.3Very low33.5Very low92 Ų92118.6 Ų118.676%0.7678%0.779SS**  cis-172.7154.4-24.900000112.7
71A34.2Very low33Very low105 Ų105119 Ų11987%0.86878%0.776SS**  trans59.9163.9157.600000119.2
72A32.4Very low32.8Very low88 Ų88119.4 Ų119.473%0.72778%0.781SS**  cis-149.8137.9-5.100000108.7
73D29.7Very low32.4Very low156 Ų156115.8 Ų115.883%0.83478%0.782SS**  92.8162.994-164.320.5000115
74S30.8Very low32.3Very low112 Ų112118.3 Ų118.378%0.78379%0.79SS**  trans91.1115.8178.7-52.20000120
75A32.8Very low31.9Very low96 Ų96115.8 Ų115.879%0.79379%0.792SS**  trans-122.9-171.4150.700000106.9
76P49.4Very low31.9Very low134 Ų134115.8 Ų115.887%0.8779%0.792SS**  cis-129.2-169.1-6.942.8-25.9000113.2
77G25.9Very low31.9Very low73 Ų73117.7 Ų117.775%0.75380%0.801SS**  trans177.7153.1169.200000114.6
78S34.3Very low31.8Very low119 Ų119116.3 Ų116.383%0.83280%0.797SS**  trans-141.5169.3-171.7-62.30000113.4
79Q30.2Very low31.8Very low180 Ų180119.3 Ų119.384%0.84181%0.807SS**  trans98.2105.7160.8-52.6-169.517.500119.8
80S29.6Very low31.8Very low106 Ų106122.1 Ų122.174%0.74181%0.806SS**  51.2125.9117.3-50.90000124.2
81S29.1Very low31.7Very low107 Ų107128.2 Ų128.275%0.74882%0.816SS**  trans68.2132133.563.30000122.3
82I27.2Very low31.4Very low163 Ų163127.4 Ų127.484%0.83681%0.809SS**  -176.6161.5116.7-95.3161.4000111.6
83T27.2Very low31.2Very low122 Ų122131.2 Ų131.275%0.74882%0.816SS**  trans-114-171.4-178.142.80000110.7
84I30.4Very low31.1Very low151 Ų151132.9 Ų132.977%0.77482%0.816SS**  cis-155.7153.519.6-34.1154.1000109
85S27.1Very low32Very low126 Ų126133.4 Ų133.488%0.88182%0.816SS**  trans-163.5140.6149.3-87.50000113.6
86A33.8Very low31.6Very low95 Ų95133.8 Ų133.879%0.78582%0.82SS**  trans-158142.7175.200000112
87S31.6Very low30.7Very low116 Ų116135.7 Ų135.781%0.81182%0.821SS**  trans-171.5137.5157.8-80.50000107.7
88S32.6Very low30.9Very low113 Ų113135.9 Ų135.979%0.7982%0.816SS**  cis108.698.222.1-72.70000112.1
89T31.8Very low30.5Very low148 Ų148136.3 Ų136.391%0.90881%0.814SS**  trans-140.9147.6156.942.80000110.3
90L34.7Very low30.4Very low162 Ų162132.3 Ų132.385%0.84881%0.806SS**  trans-121.7147.9178.1-80157.6000108.6
91F30.5Very low30.3Very low220 Ų220133.8 Ų133.897%0.96581%0.81SS**  trans-158.7166.3141.5-100-64.7000109.7
92A28Very low30.2Very low88 Ų88132.2 Ų132.273%0.72780%0.804SS**  trans-143.2-167.1-161.300000112.9
93I29.4Very low30.2Very low168 Ų168130.6 Ų130.686%0.86280%0.802SS**  trans98.2116.7167.8-55.8172.4000115.8
94K27Very low30.3Very low191 Ų191130.2 Ų130.283%0.8380%0.799SS**  trans-98.3-173.3160.5-58.9179.1175.3177.30107.8
95P49.2Very low30.3Very low123 Ų123131.5 Ų131.580%0.79980%0.8SS**  cis-136.8-172.8-343.8-26.7000114.2
96A25.3Very low30.6Very low104 Ų104131.6 Ų131.686%0.8680%0.795SS**  -174.8165.8129.700000111.1
97L30.7Very low30.7Very low174 Ų174132.5 Ų132.591%0.91179%0.791SS**  trans-141.5162.7179.8-177.464.6000109.5
98A29Very low30.6Very low77 Ų77133.2 Ų133.264%0.63679%0.786SS**  trans100.7106.315400000119.8
99T26.7Very low30.6Very low129 Ų129132.1 Ų132.179%0.79178%0.778SS**  83.5121.4109.3-57.70000122.1
100S27.3Very low30.7Very low96 Ų96132.4 Ų132.467%0.67177%0.773SS**  trans87.8136.1145.1-78.20000123
101T26.9Very low30.7Very low136 Ų136131.9 Ų131.983%0.83478%0.777SS**  trans55.2146.3148.149.70000120.2
102A27.8Very low30.8Very low74 Ų74124.7 Ų124.761%0.61276%0.764SS**  cis151.4140.9-18.500000106.4
103T28.4Very low31.1Very low130 Ų130127 Ų12780%0.79877%0.769SS**  trans64149.3168.2510000116.3
104T28Very low31.2Very low113 Ų113125 Ų12569%0.69377%0.765SS**  cis-159.4145.55.5-2.80000113.3
105K31.5Very low31.5Very low179 Ų179121.8 Ų121.878%0.77876%0.762SS**  trans55.7124.3137.9-84.8177.8176.4-172.90124.3
106T33.1Very low30.6Very low127 Ų127120.3 Ų120.378%0.77975%0.754SS**  trans65.1157.7134.753.80000121
107T35Very low30.9Very low115 Ų115121 Ų12171%0.70675%0.748SS**  cis-103.9-146.90.5500000111.2
108D29.9Very low31Very low131 Ų131118.4 Ų118.470%0.70174%0.744SS**  cis-162.4171.3-4.8-124.3-43.1000107.4
109S32Very low31.2Very low90 Ų90118.2 Ų118.263%0.62975%0.75SS**  cis-156.1-173.3-4.1-148.60000113.7
110L33.8Very low31.6Very low153 Ų153117.8 Ų117.880%0.80175%0.747SS**  trans-22.8124.8169.9-68.2156.8000121.9
111T34.6Very low31.9Very low152 Ų152120.9 Ų120.993%0.93375%0.751SS**  -169.1160.7105.417.10000109.9
112G32.5Very low32Very low68 Ų68123.3 Ų123.370%0.70175%0.75SS**  trans-174.1-169.3-174.500000115.8
113T34.2Very low32Very low136 Ų136127.1 Ų127.183%0.83476%0.76SS**  trans120.3122.8-170.7-67.10000108.5
114T33.1Very low31.9Very low126 Ų126125.4 Ų125.477%0.77376%0.759SS**  cis-158.1174.3-5.319.10000107.1
115V32.2Very low32Very low125 Ų125125.7 Ų125.776%0.75876%0.76SS**  cis-149.7172.713.988.20000112
116S31.5Very low32.8Very low91 Ų91121.5 Ų121.564%0.63675%0.751SS**  trans-27.2154.2159.2-62.50000119.6
117T30.9Very low32.4Very low119 Ų119124.9 Ų124.973%0.7376%0.755SS**  cis-160.3137.20.225.90000107.3
118S32.4Very low31.9Very low120 Ų120124 Ų12484%0.83976%0.76SS**  61.6128.863-55.70000113.5
119G32.6Very low31.8Very low73 Ų73127.9 Ų127.975%0.75377%0.771SS**  cis171.7-164.4100000108.9
120T35.1Very low31.4Very low120 Ų120129.7 Ų129.774%0.73678%0.784SS**  cis-163.9144.8-6.653.70000111.1
121Q33.9Very low31.1Very low161 Ų161127 Ų12775%0.75278%0.784SS**  trans67.4167.9155.9-64.3-177.369.600118.6
122K30.7Very low31Very low186 Ų186124.2 Ų124.281%0.80978%0.775SS**  cis-146.5163.64.8-147.6169.3-176.7-179.10114.7
123L26.3Very low30.9Very low155 Ų155128.8 Ų128.881%0.81278%0.784SS**  trans-62.2141.7-176.1-173.576.6000117.9
124A26.6Very low30.7Very low94 Ų94130.9 Ų130.978%0.77778%0.784SS**  trans-158.1143.8143.800000112
125T29.6Very low30.6Very low118 Ų118133.3 Ų133.372%0.72479%0.787SS**  trans-133.1-177.4171.958.60000107.3
126P48.7Very low30.5Very low91 Ų91134.1 Ų134.159%0.59179%0.785SS**  cis-143.6-174.48.827.30.6000117.5
127F25.6Very low30.4Very low198 Ų198136.8 Ų136.887%0.86879%0.791SS**  trans87.8151151.4-67.5-55.9000123.8
128A23.7Very low30.2Very low96 Ų96139 Ų13979%0.79380%0.797SS**  trans83.8122160.500000119.2
129F27.1Very low30Very low213 Ų213140.8 Ų140.893%0.93480%0.797SS**  trans-90.7154.1172.2-55.9-101.4000111.1
130S23.8Very low29.9Very low129 Ų129146.3 Ų146.390%0.90280%0.801SS**  -157.2161.9128.7-157.70000111.8
131A28.2Very low29.6Very low97 Ų97146.7 Ų146.780%0.80280%0.802SS**  trans-84.6154-163.200000115.5
132A31.7Very low29.4Very low92 Ų92143.4 Ų143.476%0.7680%0.803SS**  trans-152127.1144.600000112.3
133N31.1Very low29.3Very low165 Ų165139.8 Ų139.888%0.88280%0.801SS**  trans-11.5129.8167.7-60.4-70.6000119.7
134H30Very low29.7Very low180 Ų180136.7 Ų136.783%0.83380%0.798SS**  trans-84.1126.4152.1-64.7-84.7000110.3
135Q30.3Very low29.9Very low177 Ų177141.4 Ų141.483%0.82780%0.804SS**  trans-127.5103.6154.8-169.5176.630.500108.1
136I30.6Very low30Very low141 Ų141139.8 Ų139.872%0.72380%0.802SS**  trans-92.5117.9175.8-67.9164.3000108.3
137I28.8Very low29.3Very low148 Ų148141 Ų14176%0.75981%0.808SS**  trans-81.4119.3161.7-65176.2000107.3N139I137-N139 PolarHBondContact O-N 3.33Å
138L27.7Very low29.6Very low166 Ų166140.3 Ų140.387%0.86981%0.808SS**  trans-68.9106.2169.1-80.9162.6000109.4
139N28.5Very low30Very low157 Ų157140.3 Ų140.384%0.8481%0.808SS**  trans-94.2129.7165.3-166.317.6000109.8I137I137-N139 PolarHBondContact O-N 3.33Å
140K30.4Very low30.3Very low188 Ų188134.7 Ų134.782%0.81780%0.801SS**  trans-104.7100.3-170.3-171.4177.9179.4179.20112.6
141V27.8Very low30.6Very low128 Ų128138 Ų13878%0.77680%0.799SS**  trans44.8107.4144.5-170.70000118.5
142A30.4Very low30.7Very low92 Ų92137.9 Ų137.976%0.7680%0.798SS**  trans154.1155.9136.300000110.8
143S29.4Very low30.7Very low111 Ų111138.1 Ų138.178%0.77680%0.8SS**  cis-171.4166.9-27.2-91.10000107.7
144A33.2Very low30.7Very low89 Ų89135.5 Ų135.574%0.73680%0.801SS**  trans70.1130.6-173.500000113.9
145Q30.6Very low30.9Very low193 Ų193131.5 Ų131.590%0.90280%0.799SS**  72.4126.853.9-68.5-178.3-9.600113.1
146A33.3Very low31.1Very low84 Ų84129.2 Ų129.269%0.69480%0.8SS**  cis-163.5176.7-6.300000112.8
147T32.6Very low31.1Very low116 Ų116126.7 Ų126.771%0.71280%0.8SS**  trans82.6104148.3-40.90000120.8
148E31.8Very low30.9Very low184 Ų184128.1 Ų128.186%0.8680%0.803SS**  trans75.7156.8139.5-68.8-174.3122.900125.8
149A33.1Very low30.9Very low96 Ų96125.8 Ų125.879%0.79380%0.796SS**  trans7991153.200000122.1
150A32.5Very low30.8Very low96 Ų96125.4 Ų125.479%0.79379%0.792SS**  66.7111.312400000123.2
151K30.3Very low30.7Very low198 Ų198125 Ų12586%0.86179%0.79SS**  75.590.2120-161.9178.7178.9-178.10120.8
152A31.8Very low30.9Very low94 Ų94126.3 Ų126.378%0.77779%0.788SS**  86150.5125.200000123.1
153A30.8Very low31Very low97 Ų97130.8 Ų130.880%0.80279%0.794SS**  trans86.8114.8151.600000121.8
154A31.8Very low31.1Very low111 Ų111129.2 Ų129.292%0.91779%0.794SS**  trans73.3158.2147.900000120.4
155A34Very low31Very low96 Ų96134.6 Ų134.679%0.79381%0.805SS**  trans-114.1165.6-165.800000113.4
156P34.6Very low30.9Very low129 Ų129135.3 Ų135.384%0.83880%0.804SS**  trans-110.8-171.4-157.342.8-37.2000117.3
157A29.1Very low30.6Very low88 Ų88139.4 Ų139.473%0.72781%0.814SS**  trans-41.4157.6170.600000116.8
158Q25.8Very low30.4Very low177 Ų177141.1 Ų141.183%0.82782%0.818SS**  cis87.393.936.6-78.6-116.3-1.200117.5
159V27.9Very low30.1Very low118 Ų118138.3 Ų138.372%0.71581%0.813SS**  trans62.3153.8135.1-141.80000123.1
160I25.7Very low29.8Very low149 Ų149139 Ų13976%0.76481%0.808SS**  trans87.1115.7162.2-55.8-177.5000115.7
161K28.5Very low29.6Very low178 Ų178141.1 Ų141.177%0.77481%0.811SS**  70.5146.978.2-119.7-174.6-178.2-175.40113.3
162Q32.6Very low29.7Very low157 Ų157139.9 Ų139.973%0.73481%0.812SS**  cis-155.4-177.518.1-168.6165.2-11.600112.5
163E32.2Very low29.7Very low186 Ų186139 Ų13987%0.86981%0.812SS**  trans-74.4167.7-177.3-62.6167.489.400117.3
164G30.7Very low29.7Very low77 Ų77144.4 Ų144.479%0.79482%0.817SS**  trans-145.2150.6163.100000112.7
165Q30.7Very low29.9Very low203 Ų203145.5 Ų145.595%0.94982%0.818SS**  trans-82.2162.9-173.6-71.6-178.7-16.300114.4
166K29.4Very low29.8Very low207 Ų207144.1 Ų144.190%0.981%0.814SS**  trans-113.2149.7169.8-72.6-171.6175.6-174.20111.9
167L26.4Very low29.9Very low171 Ų171146.7 Ų146.790%0.89582%0.815SS**  trans-138.1164.9158.1-108.8168.1000110.6
168L29.8Very low30.6Very low151 Ų151147 Ų14779%0.79181%0.809SS**  trans-71.4165.8-179.6-104.263.4000111.4
169V24.8Very low30.8Very low125 Ų125146 Ų14676%0.75881%0.808SS**  -164.1142.765.3161.80000112.4
170T27.3Very low30.7Very low112 Ų112145.8 Ų145.869%0.68781%0.807SS**  trans10.4138.8146.6-46.60000121.9
171T28.5Very low30.6Very low140 Ų140145.2 Ų145.286%0.85981%0.805SS**  -165.3154.1123.512.80000114.2
172I32.3Very low30.4Very low171 Ų171144.7 Ų144.788%0.87781%0.805SS**  trans-117.2141.7166.4-69.2168.9000106.3
173G30.1Very low30.3Very low76 Ų76143.9 Ų143.978%0.78481%0.805SS**  trans-175.6144.8171.900000113.8
174K32.6Very low30.7Very low210 Ų210140.6 Ų140.691%0.91380%0.8SS**  trans-119.1130.9172.6-65.6179.6-179.3179.40110
175S35.3Very low30.7Very low134 Ų134144.4 Ų144.494%0.93780%0.796SS**  trans-176.8171.5151.345.90000108.1
176G32.6Very low30.7Very low68 Ų68140.5 Ų140.570%0.70179%0.787SS**  trans-147169-17500000114.9
177Q35.7Very low30.7Very low183 Ų183136.7 Ų136.786%0.85579%0.786SS**  trans73.1154.1-176.1-50.9-65.815.200114.1
178P44.8Very low30.9Very low95 Ų95132.3 Ų132.362%0.61778%0.782SS**  -138.3-154.6-88.633.1-9.4000113.4
179I29.9Very low30.9Very low154 Ų154135.1 Ų135.179%0.7979%0.788SS**  trans77.6136.7157.4-73165.8000115.1
180V25.2Very low31.9Very low115 Ų115135.3 Ų135.370%0.69779%0.791SS**  cis-159.9173.30.9119.70000112.8
181L23.8Very low31.9Very low137 Ų137133 Ų13372%0.71779%0.79SS**  trans-19.6164.1169.6-73.938000120.3
182Q23.8Very low32.1Very low166 Ų166133.4 Ų133.478%0.77679%0.792SS**  -174.5167.653.3-168.173.6-40.300113
183L30.2Very low31.9Very low141 Ų141129.4 Ų129.474%0.73878%0.78SS**  trans-88.1162.6172.3-74.670.7000113.2
184P40.7Very low32Very low117 Ų117133.9 Ų133.976%0.7678%0.78SS**  -161.8147.490.840.2-17.8000121.8
185H31.7Very low31.9Very low156 Ų156129.5 Ų129.572%0.72277%0.771SS**  trans41.8125131.1-58.6-69.9000129.2
186T30.6Very low31.7Very low122 Ų122128.7 Ų128.775%0.74877%0.765SS**  82.5143.5123.857.30000127.8
187S29.1Very low31.4Very low127 Ų127129.2 Ų129.289%0.88877%0.771SS**  trans73155.6159.274.80000119.3
188G30.2Very low31.4Very low78 Ų78128.5 Ų128.580%0.80477%0.773SS**  cis-169.7171.6-2.200000113.3
189K29Very low30.9Very low210 Ų210127.4 Ų127.491%0.91377%0.772SS**  trans-104.2-177.9179.5-84.5-175.1178178.90111.7
190P46.4Very low30.9Very low129 Ų129130.4 Ų130.484%0.83878%0.779SS**  cis-128.7-169.21.340.8-22000114.2
191G28Very low31.2Very low64 Ų64130 Ų13066%0.6678%0.782SS**  cis160.7179.3-1000000113.5
192V33.1Very low32.2Very low148 Ų148128.4 Ų128.490%0.89778%0.78SS**  trans73.2137.8163.6-178.20000116.4
193S27.8Very low32.6Very low88 Ų88126.7 Ų126.762%0.61578%0.781SS**  cis-152.7162.31.9-136.90000113.9
194Q32Very low33.4Very low169 Ų169126 Ų12679%0.7979%0.785SS**  trans35.4147139.7-66177-36.800122.9
195T29.4Very low32.8Very low118 Ų118128.4 Ų128.472%0.72479%0.786SS**  cis-164144.5-4.814.90000113.7
196S31.2Very low32.9Very low118 Ų118129.3 Ų129.383%0.82579%0.788SS**  trans45131.1145.165.70000124.4
197G27Very low32.7Very low79 Ų79132.2 Ų132.281%0.81479%0.79SS**  trans164.999.4156.300000116.4
198D34.6Very low32.7Very low167 Ų167132.1 Ų132.189%0.89378%0.784SS**  trans-73.3167.3177.1-93.6-112.5000114.4
199A36.1Very low32.8Very low73 Ų73134 Ų13460%0.60378%0.779SS**  cis173.6135.8-33.800000110.8
200K28.4Very low32.8Very low217 Ų217130.1 Ų130.194%0.94377%0.773SS**  trans-178.9163.4141.7-106.1163.9-175.6169.80114.9
201S31.5Very low32.1Very low107 Ų107131.6 Ų131.675%0.74877%0.773SS**  trans-109.3-170.7-175.767.30000110.9
202P44.8Very low32.1Very low103 Ų103132.1 Ų132.167%0.66978%0.778SS**  cis-151.2-157.233.139.1-12.4000117.7
203T33.8Very low32.1Very low130 Ų130129 Ų12980%0.79878%0.775SS**  trans82.1157.7170.279.60000115.6
204P45.5Very low32.3Very low127 Ų127136.3 Ų136.383%0.82579%0.789SS**  cis-141.3-158.946.843.7-22.6000117
205Q28Very low32.1Very low167 Ų167136.5 Ų136.578%0.7879%0.79SS**  trans-140147.2-178.8-98.4-1705.900113.6
206F33.9Very low32.1Very low174 Ų174139 Ų13976%0.76380%0.798SS**  trans63135.5146.3-82.8-61.4000125.6
207K28Very low32Very low184 Ų184142.6 Ų142.680%0.880%0.799SS**  110.2134.6125.9-94.8178.1-179.8-178.50122.4
208V28.8Very low33.1Very low124 Ų124144.1 Ų144.175%0.75280%0.795SS**  trans64.2130.2151.2178.10000117.8
209V30.6Very low32.7Very low118 Ų118142 Ų14272%0.71579%0.788SS**  cis115.8102.47.3174.60000114.1
210T30Very low32.4Very low128 Ų128145.5 Ų145.579%0.78580%0.801SS**  trans67.1151.1161-32.50000114.4
211I31.3Very low32.3Very low161 Ų161138.2 Ų138.283%0.82679%0.788SS**  cis-128.8159.123.1-61.3152.4000110.3
212G29.3Very low32.3Very low75 Ų75139.3 Ų139.377%0.77380%0.795SS**  trans-112.3168.6177.900000114
213G31.5Very low31.5Very low81 Ų81139.3 Ų139.384%0.83580%0.803SS**  trans147.198.8173.800000114.8
214R32.2Very low31.2Very low243 Ų243136.3 Ų136.392%0.91780%0.798SS**  trans-22.7147.2156.7-62.1174.6-164.6179.92.9115.5
215E29Very low30.6Very low173 Ų173137.2 Ų137.281%0.80880%0.797SS**  cis-170.4156.5-4.8178.3171.3-178.900108.5
216L27.9Very low30.8Very low170 Ų170136.5 Ų136.589%0.8979%0.793SS**  trans166.8158148-91.8165.4000110.9
217K29.3Very low30.7Very low194 Ų194134 Ų13484%0.84379%0.792SS**  trans-158.1163.6-177.8-97.8-172.8177.3178.60109.4
218P49.9Very low30.9Very low111 Ų111130.5 Ų130.572%0.72179%0.786SS**  cis-132.6-148.9-30.237.6-18.8000111
219V27.7Very low30.9Very low123 Ų123130.5 Ų130.575%0.74579%0.787SS**  trans110.4125.4158.2-177.60000117.2
220V28.4Very low30.8Very low146 Ų146131.3 Ų131.389%0.88579%0.786SS**  trans62.6143.7167.6167.60000117.6
221G26.8Very low30.8Very low64 Ų64133.5 Ų133.566%0.6679%0.788SS**  cis161.8119.3-15.900000116.8
222S30.7Very low30.9Very low130 Ų130129.6 Ų129.691%0.90978%0.779SS**  trans75.9156.8152.6-143.20000122.8
223A29.8Very low31.1Very low102 Ų102134 Ų13484%0.84378%0.779SS**  trans62.9137.2167.500000120.5
224G27.6Very low31.1Very low67 Ų67136.8 Ų136.869%0.69177%0.771SS**  cis163.2156.4-13.500000115.3
225N32.3Very low31.1Very low147 Ų147130.9 Ų130.979%0.78676%0.757SS**  trans65.2153.3164.6-70.8-9.3000118.4
226Q32.5Very low31.1Very low152 Ų152131 Ų13171%0.7175%0.754SS**  cis-153.9141.9-4.6-109.4165.647.600107.1
227V31.6Very low31.2Very low120 Ų120128.4 Ų128.473%0.72775%0.746SS**  68.9126.976.9167.60000113.4
228T30.7Very low31.2Very low112 Ų112124.6 Ų124.669%0.68774%0.739SS**  cis-165.8-178.1-3.125.10000111.4
229T29.7Very low30.2Very low124 Ų124127.3 Ų127.376%0.76174%0.742SS**  trans77.8151.7157.165.90000119.9
230L29.2Very low30.5Very low135 Ų135128.9 Ų128.971%0.70775%0.745SS**  cis-161.3168.5-15.3-107.8170.1000111.9
231Q29.8Very low31.4Very low174 Ų174127.5 Ų127.581%0.81374%0.739SS**  trans7.9157.8151.3-74.5167.9-1400122.7
232A32.4Very low31.7Very low78 Ų78134 Ų13465%0.64575%0.749SS**  cis-172177.7-10.500000111.7
233Q33.3Very low31.5Very low168 Ų168137.8 Ų137.879%0.78575%0.749SS**  trans18.2150.1143.9-63.9-173.430.500121.4
234Q31.8Very low31.5Very low140 Ų140139 Ų13965%0.65475%0.746SS**  cis-16716413-130.3-170.476.800113.5
235L31.7Very low32.1Very low118 Ų118141.3 Ų141.362%0.61875%0.749SS**  trans53.8117.4144.9-108.365.6000125.4
236K30.9Very low31.8Very low175 Ų175138.8 Ų138.876%0.76175%0.748SS**  74.2130.4121.1-89.4-179.5-163170.50125
237T29.6Very low31.6Very low116 Ų116136.3 Ų136.371%0.71275%0.747SS**  100.1110.2121.5-71.30000122.7
238V28.6Very low31.6Very low115 Ų115135.6 Ų135.670%0.69775%0.748SS**  trans102129.7133139.90000124.8
239Q28.1Very low31.5Very low167 Ų167136.8 Ų136.878%0.7876%0.755SS**  trans62.3108.5150.3-67.6166.730.400125.2
240I35.7Very low31.9Very low157 Ų157135 Ų13581%0.80575%0.753SS**  -14.7144.1129.2-7.2172.8000114.6
241P47Very low33.2Very low117 Ų117134 Ų13476%0.7676%0.755SS**  cis-155.4150.845.242.2-19.7000122.8
242K33.1Very low33.3Very low200 Ų200133.1 Ų133.187%0.8775%0.754SS**  trans48.3108.6133.3-170.3-177.3179.8178.70121.4
243K26.9Very low33Very low210 Ų210138.2 Ų138.291%0.91376%0.762SS**  trans-163.7150.5137.4-118.4177.3-176.7178.80114.1
244T29Very low32.9Very low127 Ų127139 Ų13978%0.77976%0.763SS**  trans-101.1158.8163.6-8.80000108.8
245P40.9Very low32.8Very low116 Ų116139.2 Ų139.275%0.75377%0.767SS**  -153.8-177.278.542.1-21.9000117
246A25.7Very low32.9Very low94 Ų94140.8 Ų140.878%0.77777%0.774SS**  trans18.1155.6143.200000122.8
247S28.3Very low32.8Very low99 Ų99138 Ų13869%0.69277%0.772SS**  cis-178.2153.4-13.6171.40000110.1
248S30.6Very low32.9Very low105 Ų105141.4 Ų141.473%0.73478%0.777SS**  trans63.6152160.934.30000117.2
249T29.8Very low32.9Very low137 Ų137141.9 Ų141.984%0.8478%0.78SS**  cis-141.6165.433.9-55.30000112.8
250A38.1Very low33Very low87 Ų87140.1 Ų140.172%0.71978%0.781SS**  trans-102.5-155.3-172.500000111.5
251P56.5Low32.6Very low115 Ų115139.7 Ų139.775%0.74778%0.78SS**  cis-140.7-178.20.143.7-25.2000117
252I31.7Very low31.8Very low154 Ų154139.2 Ų139.279%0.7978%0.779SS**  trans-177.3131.6131.1-95156.8000112
253K26.1Very low31.6Very low186 Ų186139.9 Ų139.981%0.80978%0.782SS**  trans27.1148.8153.3-61.4178.6-179.8179.30123.1
254F30.6Very low31.5Very low185 Ų185133.5 Ų133.581%0.81178%0.776SS**  cis-175.9178.9-25.8-135.1-87.6000109.3
255I30.4Very low31.5Very low143 Ų143135.6 Ų135.673%0.73378%0.782SS**  trans9390.5162.4-47.1-172.9000120.5
256I33.2Very low31.1Very low152 Ų152135.4 Ų135.478%0.77978%0.783SS**  63.7166.8115.6-61.8165.1000121.5
257T29.8Very low31.8Very low115 Ų115136.7 Ų136.771%0.70678%0.783SS**  trans-135.1158.4-151.554.90000115.7
258K31.1Very low31.7Very low188 Ų188140.1 Ų140.182%0.81779%0.788SS**  trans39152.5142.9-59.3-177.6-179.5177.80120.1
259T28.6Very low31.4Very low126 Ų126140.6 Ų140.677%0.77379%0.787SS**  cis-168.9177.341.7-24.50000112.9
260V29.4Very low31.2Very low130 Ų130138.8 Ų138.879%0.78878%0.78SS**  trans-28.2142.5-179.9-75.40000125.2
261N28.4Very low30.7Very low147 Ų147141.4 Ų141.479%0.78679%0.787SS**  66.5128.4126.7-17348.1000123.3
262S29.9Very low29.3Very low107 Ų107141.7 Ų141.775%0.74879%0.787SS**  166.6166.9126.7-75.40000114.4
263K28.2Very low30.1Very low215 Ų215140 Ų14094%0.93579%0.786SS**  trans-93.6158.3-178.1-54.3170.3179.6176.30112.9
264G26Very low30.3Very low76 Ų76137.2 Ų137.278%0.78478%0.784SS**  trans169.476.7161.800000121.7
265L28.7Very low30.4Very low171 Ų171136.2 Ų136.290%0.89579%0.785SS**  trans29.1139.3142.4-68165.2000125.1
266S32.1Very low30.4Very low112 Ų112134 Ų13478%0.78379%0.789SS**  trans77.8160.4146.681.20000118.3
267P39.4Very low30.2Very low120 Ų120130.1 Ų130.178%0.77979%0.786SS**  cis-128.4-149.316.644.8-27.3000116.9
268Q26.6Very low30.3Very low171 Ų171136.4 Ų136.480%0.79980%0.797SS**  trans-62.9176.3-166.8-62.8167-39.400115
269T25.4Very low30.1Very low116 Ų116133.5 Ų133.571%0.71280%0.795SS**  cis-172.1152.442.3-280000115.9
270S25.8Very low30Very low99 Ų99133.9 Ų133.969%0.69280%0.797SS**  trans77.2151.9135.864.40000126.3
271V26.6Very low29.9Very low141 Ų141132.8 Ų132.886%0.85579%0.79SS**  trans75.3137.5154.3-85.50000125.2
272T27.8Very low30Very low122 Ų122134.3 Ų134.375%0.74879%0.793SS**  trans-110.8166161.650.90000109.8
273P48.4Very low29.8Very low119 Ų119135.3 Ų135.377%0.77380%0.795SS**  -144.414310531.7-13.4000115
274V29.9Very low29.7Very low127 Ų127130.2 Ų130.277%0.7779%0.786SS**  71.7141.586.2-161.10000116.9
275I33.5Very low30.5Very low163 Ų163132 Ų13284%0.83678%0.784SS**  trans92.6130.8175.5-56178.5000113
276A29.8Very low30.4Very low98 Ų98129.7 Ų129.781%0.8178%0.776SS**  cis-164.3-171.9-2000000107.5
277G28.4Very low30.1Very low70 Ų70132.6 Ų132.672%0.72278%0.78SS**  cis169.4160.3-0.300000112
278R31.5Very low29.7Very low246 Ų246131.6 Ų131.693%0.92878%0.776SS**  trans64.8124.4-172.8-86.6179.1166.2145.5-2.8115.7
279V26.9Very low30.9Very low128 Ų128128.4 Ų128.478%0.77677%0.77SS**  cis100.4142.821.3179.40000113.9
280V26.9Very low31Very low134 Ų134131.9 Ų131.981%0.81278%0.775SS**  trans104.5140.4-173.71770000113.1
281T28.1Very low31Very low106 Ų106133 Ų13365%0.6578%0.777SS**  -165.6153-75.227.90000112.1
282Q29.2Very low31.1Very low180 Ų180133.1 Ų133.184%0.84177%0.772SS**  trans67.4156.7163-69.3175.3-19.300116.5
283T26.5Very low31Very low128 Ų128132.5 Ų132.579%0.78577%0.768SS**  cis-151.3157.8-2.8-40000112
284S25.7Very low30Very low107 Ų107134.4 Ų134.475%0.74877%0.771SS**  trans-77.8-172.5163.4-35.20000111.4
285P43.1Very low29.7Very low114 Ų114134 Ų13474%0.7477%0.773SS**  cis-143.7-167.9-0.635.3-10.9000116.6
286V25.9Very low29.6Very low123 Ų123133.2 Ų133.275%0.74577%0.766SS**  trans92.1123.3134.1136.70000123.1
287M27.1Very low30.4Very low173 Ų173133.4 Ų133.485%0.85276%0.759SS**  trans77.1162.4147-73176.367.200124.4
288S29.6Very low30.8Very low99 Ų99137 Ų13769%0.69276%0.757SS**  trans-146.2-161.1-176.165.80000107.1
289P52.6Low30.7Very low104 Ų104131 Ų13168%0.67574%0.744SS**  cis-128.5-151.2-27.438.4-19.3000111.1
290K28.5Very low31.1Very low188 Ų188130.3 Ų130.382%0.81774%0.74SS**  trans103.3158.8167.1-61.5175.8-178.8177.30116.5
291T25Very low31.4Very low122 Ų122129.6 Ų129.675%0.74874%0.736SS**  cis143.9138.8-28.7-75.30000112.2
292I28.3Very low31.6Very low145 Ų145131.4 Ų131.474%0.74474%0.74SS**  trans95.6101.6157.2-91.6166.3000122.1
293T25.5Very low31.7Very low109 Ų109129.8 Ų129.867%0.66973%0.732SS**  56.2142.9129.3670000128.6
294L27.2Very low31.8Very low159 Ų159129.3 Ų129.383%0.83273%0.734SS**  trans75.1124.2131.5-80.4165.1000123.4
295S25.4Very low32.3Very low117 Ų117131.2 Ų131.282%0.81874%0.735SS**  -173.1143.8110.559.50000113.8
296E30.5Very low31.8Very low147 Ų147131.3 Ų131.369%0.68774%0.738SS**  trans-93.4-172167.8-136.4-165.4104.400109.7H298E296-H298 IonicContact OE1-CE1 3.61Å; E296-H298 PolarHBondContact OE1-N 2.91Å; E296-H298 IonicContact OE1-ND1 3.08Å; E296-H298 PolarHBondContact OE1-ND1 2.92Å; E296-H298 VanDerWaalsContact OE1-ND1 3.08Å
297P47.1Very low32Very low102 Ų102129.1 Ų129.166%0.66274%0.74SS**  cis-153.3156.345.841.9-19.4000120.5
298H35.5Very low32.6Very low146 Ų146130.6 Ų130.668%0.67674%0.742SS**  trans61.5156.6135.1-63.7-6.2000121.7E296E296-H298 IonicContact OE1-CE1 3.61Å; E296-H298 PolarHBondContact OE1-N 2.91Å; E296-H298 IonicContact OE1-ND1 3.08Å; E296-H298 PolarHBondContact OE1-ND1 2.92Å; E296-H298 VanDerWaalsContact OE1-ND1 3.08Å
299N31.3Very low32.7Very low121 Ų121134.8 Ų134.865%0.64775%0.748SS**  cis-149.7-167.2-3.1-128.6-35.8000107.7
300T34.4Very low31.7Very low113 Ų113137.4 Ų137.469%0.69375%0.754SS**  cis-167.4161.7540000103.5
301T32.1Very low31.7Very low119 Ų119132.5 Ų132.573%0.7375%0.749SS**  cis-168.4-166.7-29.533.40000103.3
302I33.1Very low31.9Very low144 Ų144134.8 Ų134.874%0.73875%0.754SS**  cis-158.5167.31.7-144-170.6000104.7
303Q31.6Very low32Very low145 Ų145133 Ų13368%0.67876%0.755SS**  cis-153.8157.5-3-162.6-16411000107.4
304S28.8Very low32.6Very low118 Ų118133.9 Ų133.983%0.82576%0.762SS**  trans-158.5164.7155.3-168.30000110.3
305I36.2Very low32.6Very low148 Ų148134.1 Ų134.176%0.75976%0.764SS**  trans-126.1173.9-166.3-15.1179.9000113.4
306S32.1Very low32.8Very low116 Ų116137.6 Ų137.681%0.81176%0.764SS**  trans-93.8153-153.6-175.20000116.4
307G30.4Very low32.7Very low76 Ų76137.1 Ų137.178%0.78477%0.771SS**  trans-174.6124.316300000113.3
308K40.4Very low32.1Very low205 Ų205138.3 Ų138.389%0.89178%0.779SS**  trans-120.4130.1179.2-66.6179.7179.8177.60111.8
309K30.6Very low31.9Very low187 Ų187137 Ų13781%0.81379%0.786SS**  trans-162.4104.9152.1-158.6173.1-179.3-178.40116.3
310I32.2Very low31.7Very low159 Ų159139.6 Ų139.682%0.81579%0.792SS**  trans62.6151.5143.3-57.4175.1000118.7
311A28Very low31.5Very low85 Ų85140.5 Ų140.570%0.70280%0.797SS**  trans-113.7171.4-171.400000113.7
312I29.7Very low31.3Very low169 Ų169136.9 Ų136.987%0.86778%0.775SS**  trans-142.5149.9156.9-90144000107.8
313S30.5Very low31Very low109 Ų109135 Ų13576%0.76277%0.77SS**  trans-121.7154.1169.1-83.30000110.4
314P38.1Very low30.8Very low126 Ų126131.9 Ų131.982%0.81876%0.761SS**  trans-81.7155.8-161.532.4-37.1000114.2
315L27.6Very low30.6Very low164 Ų164132 Ų13286%0.85976%0.761SS**  trans-130.5154171-163.761000112.4
316K29.3Very low30.1Very low191 Ų191131.3 Ų131.383%0.8376%0.763SS**  trans-68.5154.5-167.4-58.1158.7-179.7173.90114.2
317T28.6Very low29.8Very low136 Ų136130.1 Ų130.183%0.83476%0.761SS**  trans-108156.2158.146.10000111
318P33.7Very low29.6Very low128 Ų128131.6 Ų131.683%0.83176%0.759SS**  trans-96.6-178.4-165.738.4-37.4000114.8
319S30.5Very low29.2Very low118 Ų118127.6 Ų127.683%0.82575%0.754SS**  trans-132.3150.3176.7-770000114
320K29.1Very low29.6Very low176 Ų176124.3 Ų124.377%0.76575%0.752SS**  trans-6.6141.9162.6-157.8176.9-176.1-174.70119.9
321V28.6Very low29.1Very low131 Ų131122.3 Ų122.379%0.79475%0.752SS**  trans-125.9164.2168-179.70000110
322T27.7Very low28.9Very low43 Ų43125.5 Ų125.526%0.26476%0.757SS.*  trans-170145.1-159.2-83.50000107.1I22 E23I22-T322 HydrophobicContact CB-CG2 3.9Å; I22-T322 HydrophobicContact CG2-CG2 3.7Å; I22-T322 WeakPolarHBondContact O-CG2 3.32Å; E23-T322 HydrophobicContact CB-CG2 4.19Å; E23-T322 HydrophobicContact CG-CG2 3.62Å
323V28.3Very low28.7Very low106 Ų106122.7 Ų122.764%0.64275%0.748SS**  trans-139.5129.1-163.3-178.30000116.9I22 E23I22-V323 CarbonylContact O-C 3.43Å; I22-V323 PolarHBondContact O-N 3.01Å; E23-V323 VanDerWaalsContact CB-C 3.47Å; E23-V323 VanDerWaalsContact CG-C 3.46Å; E23-V323 WeakPolarHBondContact OE1-CA 3.27Å
324V26.3Very low28.5Very low79 Ų79122.1 Ų122.148%0.47974%0.744SS.*  trans-69.7162.1-169.593.80000117.7E23 V326E23-V324 HydrophobicContact CB-CB 4.26Å; E23-V324 HydrophobicContact CB-CG2 4.31Å; E23-V324 VanDerWaalsContact CD-CA 3.46Å; E23-V324 HydrophobicContact CG-CB 4.31Å; E23-V324 WeakPolarHBondContact OE1-CA 3.41Å; E23-V324 WeakPolarHBondContact OE1-CB 3.28Å; E23-V324 PolarHBondContact OE1-N 3.25Å; E23-V324 WeakPolarHBondContact OE2-CB 3.4Å; E23-V324 WeakPolarHBondContact OE2-CG2 3.36Å; V324-V326 HydrophobicContact CG1-CG2 4.46Å
325S24.5Very low28Very low120 Ų120124.3 Ų124.384%0.83974%0.743SS**  trans-147.1149.1152.3-78.10000111.9
326V26.5Very low27.9Very low133 Ų133124.9 Ų124.981%0.80674%0.739SS**  trans-131.5143.5-176.9-156.50000109.8V324V324-V326 HydrophobicContact CG1-CG2 4.46Å
327A25.8Very low27.6Very low91 Ų91119.8 Ų119.875%0.75273%0.727SS**  trans-76.1176.9172.600000111.1
328S26.7Very low27.3Very low107 Ų107120 Ų12075%0.74873%0.728SS**  cis-161.3-174.419.5-135.50000107.6
329P31.8Very low26.8Very low121 Ų121118.5 Ų118.579%0.78673%0.727SS**  cis-145.5-176.838.342-20.2000116.9
330P38Very low26.6Very low118 Ų118120.5 Ų120.577%0.76673%0.727SS**  trans-116.3161.9179.340.3-31.5000115.8
331S23Very low27.2Very low117 Ų117118 Ų11882%0.81873%0.729SS**  trans-151109.4167.249.60000116.2
332N23.4Very low27Very low153 Ų153117.1 Ų117.182%0.81872%0.724SS**  trans73.9146.3141.8-119.4-8.5000125.1
333T25.5Very low27Very low110 Ų110122.1 Ų122.168%0.67575%0.749SS**  trans70.4107.5151.145.10000124.5
334S25.4Very low27.1Very low97 Ų97123.2 Ų123.268%0.67876%0.755SS**  92.3118.8113.7-64.60000124.6
335Q27.8Very low27.3Very low171 Ų171123.7 Ų123.780%0.79977%0.767SS**  trans85.6110.6130.5-72.2-165.845.900124.4
336K24.7Very low27.4Very low177 Ų177126.5 Ų126.577%0.7777%0.772SS**  80.6110.5110.3-143.5-150.2177.9-176.90122.3
337S22.9Very low27.5Very low83 Ų83123.4 Ų123.458%0.5877%0.767SS**  trans67.1122132.369.40000125.5
338V22.9Very low28Very low141 Ų141128.5 Ų128.586%0.85578%0.776SS**  82.7138.5119.8169.90000122.3
339A23.6Very low28.2Very low97 Ų97132.4 Ų132.480%0.80278%0.782SS**  trans92.5151.1154.300000122.2
340L26.8Very low28.2Very low159 Ų159134.8 Ų134.883%0.83279%0.786SS**  trans-92.6156.6-178.1-70.3156.7000112.2
341P40.2Very low27.9Very low124 Ų124136.9 Ų136.981%0.80579%0.79SS**  -146.4-170.910532.5-13.3000114.1
342V26.3Very low28.2Very low112 Ų112135.7 Ų135.768%0.67979%0.787SS**  -167.8143.7-67.8133.50000110.5
343N26.1Very low28.5Very low149 Ų149135.6 Ų135.680%0.79779%0.792SS**  trans64.5165.2175-64.3-16000116.4
344V30.9Very low28.7Very low128 Ų128138.5 Ų138.578%0.77680%0.798SS**  cis-135.6131.619.3-174.70000108.4
345A29.7Very low28.9Very low89 Ų89143.3 Ų143.374%0.73681%0.809SS**  50.1147.789.500000115.6
346L27.2Very low29Very low180 Ų180140.2 Ų140.294%0.94281%0.807SS**  cis-163153.7-2.4177.165.1000108.5
347G29.3Very low29.3Very low68 Ų68136.2 Ų136.270%0.70181%0.807SS**  trans152.6116.8160.700000117
348Q36.8Very low30.3Very low198 Ų198138.5 Ų138.593%0.92582%0.82SS**  trans-140.8151.8169.5-69.9-179.2-9.500109.7
349Q30.9Very low30.6Very low189 Ų189136.1 Ų136.188%0.88382%0.815SS**  trans-146.7127.9167.2-79.8-172-2400111.3
350I31.4Very low31.1Very low170 Ų170137 Ų13787%0.87282%0.815SS**  trans-142.9147.4163.1-64.6-174.1000107.7
351L30.7Very low32.4Very low163 Ų163134.7 Ų134.785%0.85381%0.809SS**  trans-90.4139.5-177.8-88.659.1000113.6
352A30.3Very low31.9Very low91 Ų91135 Ų13575%0.75281%0.809SS**  trans-157.1113.8145.500000106.5
353V30.2Very low32.1Very low151 Ų151138.9 Ų138.992%0.91582%0.817SS**  73.613572.71770000112.5
354Q28.3Very low32.1Very low172 Ų172138.3 Ų138.380%0.80482%0.818SS**  trans-132.1140-154.5172.1-174.92.700111.3
355Q30.4Very low32.1Very low197 Ų197136.1 Ų136.192%0.92181%0.813SS**  trans-153.7162.7160.9-109.7164.518.400110.2
356S29.6Very low32.2Very low107 Ų107137.9 Ų137.975%0.74882%0.815SS**  trans-154.4177.9-152.756.60000115.1
357A31.6Very low32.4Very low92 Ų92134 Ų13476%0.7680%0.803SS**  trans82.9162.3171.900000116.7
358P43.8Very low32.6Very low132 Ų132139.9 Ų139.986%0.85781%0.812SS**  -130.1-174.3-58.238-24.8000112.8
359A29.3Very low32.5Very low91 Ų91136.9 Ų136.975%0.75281%0.808SS**  trans-119.4174.4-171.800000114.7
360S33.2Very low33.7Very low115 Ų115134 Ų13480%0.80481%0.805SS**  trans107.2163.6165.7-46.80000116.5
361P53.7Low33.9Very low110 Ų110129.9 Ų129.971%0.71480%0.797SS**  -144.4151.7-5440.5-24.4000117.9
362V30.2Very low34.1Very low130 Ų130130.2 Ų130.279%0.78879%0.794SS**  trans73.3148.8136.1168.30000123.4
363K31.1Very low34.1Very low195 Ų195131.6 Ų131.685%0.84879%0.789SS**  trans79.4149.9168.5-90.1171.3-179.8178.50116.7
364V26.4Very low34.3Very low136 Ų136131.3 Ų131.382%0.82478%0.781SS**  cis-132.1169.117.3-178.10000112.1
365A30.1Very low34.2Very low82 Ų82132.3 Ų132.368%0.67878%0.782SS**  trans-75.6178.7173.900000113.2
366T32Very low35.7Very low127 Ų127128.2 Ų128.278%0.77977%0.773SS**  cis-157.7-175.833.7-34.90000108.1
367S30.6Very low35.7Very low99 Ų99129.6 Ų129.669%0.69278%0.776SS**  cis-168.8174.832.8-410000114.4
368Q33.7Very low35.7Very low190 Ų190133.5 Ų133.589%0.88878%0.779SS**  trans76.8149.9157.9-68.1-178.27.800120.7
369T36.1Very low35.2Very low136 Ų136132.3 Ų132.383%0.83477%0.774SS**  trans-159.8-176.8-160.639.80000108.4
370P54.9Low35.2Very low128 Ų128134.1 Ų134.183%0.83178%0.775SS**  cis-103.4-156.9-8.939.9-27000110.6
371A35.8Very low35.1Very low83 Ų83132.7 Ų132.769%0.68677%0.77SS**  cis-155.8-167.84.800000106.8
372Q34.6Very low34Very low171 Ų171134.5 Ų134.580%0.79978%0.779SS**  cis-171162-24.1-122.8-16290.900103.5
373N30.8Very low33.8Very low120 Ų120131.9 Ų131.964%0.64278%0.778SS**  cis-161.9-177.3-12.3-145.5-2.3000104.4
374I33.2Very low33.8Very low145 Ų145126.1 Ų126.174%0.74477%0.774SS**  cis-133.9-142.64.4-31.9165.1000108.6
375K26.6Very low34Very low192 Ų192127 Ų12784%0.83578%0.78SS**  trans-156.4-164.2-178.3-77.3-167.1176.6179.30108.8
376P62.9Low34.1Very low112 Ų112126.8 Ų126.873%0.72779%0.785SS**  -129.4-159.8-70.540.1-23.7000111.4
377V29.1Very low34.2Very low135 Ų135124.8 Ų124.882%0.81879%0.789SS**  168.8166.7127.5156.10000111.3
378Q32.3Very low34.4Very low174 Ų174124.7 Ų124.781%0.81379%0.789SS**  trans-119.9-176.7-169.6-55.1166.4-76.800113.4
379S33.2Very low34.4Very low107 Ų107122.1 Ų122.175%0.74878%0.777SS**  trans82.5156.4146.8-62.70000120.5
380V29.2Very low34.2Very low130 Ų130123.6 Ų123.679%0.78877%0.772SS**  cis-171.7166.1-29.470.60000110.1
381A31.5Very low33Very low84 Ų84126.2 Ų126.269%0.69477%0.771SS**  trans68.7170.6161.900000117.2
382V30.3Very low32.8Very low149 Ų149127.8 Ų127.890%0.90377%0.772SS**  cis-165.3153.3-28.4139.50000107.4
383G26.1Very low32.6Very low74 Ų74127.2 Ų127.276%0.76377%0.772SS**  trans129.4156.7154.400000118.6
384G29.6Very low33Very low75 Ų75129 Ų12977%0.77378%0.781SS**  trans-101-163.217300000113.1
385V32.2Very low33.1Very low155 Ų155127.9 Ų127.994%0.93978%0.783SS**  cis-161.9164.619.6-80.80000111.7
386G31.5Very low33.1Very low77 Ų77126.9 Ų126.979%0.79479%0.785SS**  trans134.484.6142.400000122.5
387G33.1Very low31.5Very low84 Ų84125.1 Ų125.187%0.86678%0.78SS**  trans71.5166.9150.300000119.7
388S35.6Very low31.4Very low98 Ų98125.6 Ų125.669%0.68578%0.784SS**  cis-167.4141.3-19.4-162.90000107.9
389Q34.3Very low31.3Very low136 Ų136125.8 Ų125.864%0.63678%0.784SS**  178.815977.7-87.1-64.2100111.8
390F30.6Very low31.7Very low167 Ų167125.7 Ų125.773%0.73278%0.781SS**  trans39.5128.6164.4-53.4-62.2000121.7
391K30.1Very low31.6Very low183 Ų183126.7 Ų126.780%0.79678%0.782SS**  cis90.1134.327-174-165.9177.1-174.90114.8
392T32.6Very low31.5Very low116 Ų116128.2 Ų128.271%0.71278%0.783SS**  cis-177150.3-23-77.70000107.6
393I29.3Very low31.4Very low158 Ų158129.3 Ų129.381%0.8178%0.778SS**  trans156.2147.4146.1-81160.1000112.2
394I39.8Very low31.5Very low159 Ų159132.6 Ų132.682%0.81577%0.773SS**  trans-128.5149.8170.2-41.4173.3000107.5
395P34.9Very low31.6Very low121 Ų121137.3 Ų137.379%0.78678%0.779SS**  -141170.2125.737.1-23.6000116
396L27.1Very low31.4Very low170 Ų170136 Ų13689%0.8976%0.763SS**  trans-84.2153.6-175.2-175.372.6000112.8
397A28.5Very low31.4Very low76 Ų76139.3 Ų139.363%0.62877%0.767SS**  143.8152.3127.700000118.3
398T28.1Very low31.2Very low144 Ų144140.2 Ų140.288%0.88376%0.758SS**  trans73.4133.1147.834.90000124.1
399Q29.8Very low31Very low178 Ų178139.5 Ų139.583%0.83277%0.766SS**  trans-88.2-175.4159.1-78.5-109.536.800110.4
400P41.9Very low31.2Very low105 Ų105137.8 Ų137.868%0.68277%0.769SS**  cis-135.6-165.2-12.726.6-1.7000114.5
401N26.2Very low31.2Very low152 Ų152140.4 Ų140.481%0.81377%0.774SS**  trans107.7167.7139.2-131.1-43.3000119.9
402V29.6Very low31.4Very low116 Ų116140.5 Ų140.570%0.70378%0.775SS**  trans-118.6145.6-142.7172.30000113.9
403Q28.2Very low31.2Very low172 Ų172143.8 Ų143.880%0.80478%0.782SS**  trans-179127.4133.6-97.1168.421.700108.6
404Q27.6Very low31.1Very low142 Ų142146.3 Ų146.366%0.66478%0.783SS**  95.7108.852.8-174.1-175.95.100112.3
405I31.7Very low30.6Very low174 Ų174144.8 Ų144.889%0.89278%0.781SS**  trans-131.9143.3157.9-67-174.8000108.9
406Q28.1Very low30.1Very low129 Ų129150.1 Ų150.160%0.60379%0.785SS**  trans-101.6143.8-168.2-175.487.68.400112P408Q406-P408 HydrophobicContact CG-CG 4.2Å
407V31.8Very low30.2Very low146 Ų146148.7 Ų148.789%0.88578%0.778SS**  trans-136.1112151.6-170.10000109.6
408P30.1Very low30.1Very low102 Ų102151.6 Ų151.666%0.66279%0.787SS**  trans-103.9145.5-179.935.2-25.7000112.9Q406Q406-P408 HydrophobicContact CG-CG 4.2Å
409G31.1Very low29.9Very low84 Ų84151 Ų15187%0.86678%0.784SS**  trans172.553.5177.400000117.1
410S39.1Very low29.6Very low100 Ų100146.7 Ų146.770%0.69978%0.778SS**  trans-86.9145.6-179.4-179.10000113.8
411R29.3Very low28.9Very low221 Ų221147.8 Ų147.883%0.83478%0.783SS**  171.7131.8116.2-89.7168-57.8-17812.4113.2
412F34.6Very low28.9Very low186 Ų186147.5 Ų147.582%0.81679%0.787SS**  trans-87.3157.4159.4-65.3-95.8000110.5
413H28.4Very low28.7Very low184 Ų184146.5 Ų146.585%0.85279%0.791SS**  trans-154158.7152.5-88.797.7000109.6
414Y27.4Very low28.5Very low212 Ų212144.3 Ų144.383%0.83180%0.795SS**  trans-123.4154.6-172-97-83.2000112.6
415V28.7Very low28.5Very low127 Ų127142 Ų14277%0.7780%0.8SS**  trans56.6129.1165.1-133.90000119.9
416R25.5Very low28.4Very low232 Ų232138.8 Ų138.888%0.87580%0.799SS**  -171.1136.4118.3-176.6154.5-178.8161.2-0111.6
417L27.7Very low28.3Very low141 Ų141136.2 Ų136.274%0.73881%0.807SS**  trans-84.8160.7170.3-78.665.4000111.2
418V27.7Very low28.2Very low137 Ų137138.6 Ų138.683%0.8381%0.809SS**  -178.5157.1121.9147.70000110.8
419T23.4Very low28.7Very low132 Ų132139 Ų13981%0.8181%0.811SS**  trans-89.3167.3-177.542.60000114.2
420A24.5Very low28.5Very low86 Ų86140 Ų14071%0.71181%0.805SS**  153124.811600000117
421T25.8Very low28Very low129 Ų129139.8 Ų139.879%0.79181%0.809SS**  trans36130.3142.552.40000124.7
422T25.7Very low28.7Very low145 Ų145134.5 Ų134.589%0.8980%0.804SS**  180154.1122.528.70000108.9
423A25.9Very low28.2Very low96 Ų96132.7 Ų132.779%0.79380%0.803SS**  cis-155.6172.4-20.200000108.9
424S25.5Very low28.2Very low126 Ų126130.3 Ų130.388%0.88180%0.801SS**  trans-104.4143.7-166.7-49.80000116.2
425A27.6Very low28.3Very low93 Ų93125 Ų12577%0.76980%0.795SS**  trans-159.3128.9146.900000107.5
426A28.2Very low28.3Very low106 Ų106124 Ų12488%0.87679%0.793SS**  cis71123.345.400000113.1
427G25.8Very low28.4Very low75 Ų75119.8 Ų119.877%0.77379%0.794SS**  cis163.4168.6-5.300000111.3
428Q29.9Very low28.5Very low197 Ų197116.9 Ų116.992%0.92179%0.79SS**  trans-156.7153.3165.8-88-146.8-23.800113.4
429P40.6Very low28.7Very low110 Ų110117.3 Ų117.371%0.71479%0.793SS**  trans-123.2153.3-179.242.1-30.4000117.4
430S27.6Very low29Very low104 Ų104114.8 Ų114.873%0.72779%0.793SS**  trans53.6108142.5630000123.8
431A28.6Very low29.4Very low96 Ų96120.5 Ų120.579%0.79380%0.802SS**  60.9166.1117.900000122
432P42.7Very low30.7Very low111 Ų111119.3 Ų119.372%0.72180%0.796SS**  cis-131175.7-23.131.6-11.3000115.4
433N26Very low30.9Very low148 Ų148119.9 Ų119.979%0.79179%0.793SS**  trans30.2127.7151.4-57.3-7.6000122.4
434T27.6Very low31.4Very low134 Ų134121.4 Ų121.482%0.82279%0.792SS**  177.1150.9106.338.30000115.8
435S29Very low31.7Very low100 Ų100121.2 Ų121.270%0.69979%0.786SS**  trans55.7149.8144.757.90000125.3
436S29.5Very low31.9Very low105 Ų105123.6 Ų123.673%0.73479%0.785SS**  trans65.8125.5158.338.20000118.3
437V27.4Very low32.1Very low145 Ų145124.6 Ų124.688%0.87978%0.781SS**  cis106.9151.943.5157.60000110.9
438A29.9Very low32.3Very low80 Ų80124.7 Ų124.766%0.66178%0.782SS**  trans82.694.3170.500000119.6
439T31Very low32.4Very low145 Ų145119.8 Ų119.889%0.8978%0.775SS**  36.2124.5124.654.60000121.8
440G30.6Very low31.8Very low79 Ų79120.3 Ų120.381%0.81478%0.776SS**  trans179.4109.5157.300000115.1
441K33.4Very low32.1Very low207 Ų207125.7 Ų125.790%0.978%0.78SS**  trans-121.2179.3159.9-51.5-177.4179.7178.30107.2
442P52.8Low32.1Very low104 Ų104129.3 Ų129.368%0.67578%0.783SS**  cis-132.3-146.7-6.225.81.3000111.6
443L30Very low31.4Very low156 Ų156129.8 Ų129.882%0.81779%0.789SS**  trans76.7144.8166.9-88.174.1000117.1
444V35.8Very low31.8Very low129 Ų129128.2 Ų128.278%0.78278%0.784SS**  cis-151.5168.7-15.3850000112
445V31.9Very low32.1Very low122 Ų122127.9 Ų127.974%0.73978%0.784SS**  trans-76.4139176.7168.80000111.9
446N32.3Very low32.2Very low143 Ų143129.1 Ų129.177%0.76579%0.788SS**  -169.1168.2115.6-141.32.8000117
447T32.2Very low32.1Very low126 Ų126130 Ų13077%0.77379%0.788SS**  trans-69.8153.5177.856.40000115.7
448G30.8Very low32Very low78 Ų78131.8 Ų131.880%0.80479%0.787SS**  trans-167146.9160.900000111.4
449A31.1Very low31.9Very low94 Ų94132.7 Ų132.778%0.77779%0.794SS**  trans-153.4175.1-174.900000113.5
450V28.8Very low31.9Very low120 Ų120134.4 Ų134.473%0.72779%0.792SS**  trans90144.8161.3-162.50000117.8
451R32.8Very low31.9Very low218 Ų218136.3 Ų136.382%0.82379%0.788SS**  trans63.798.2156.260.8-169.5172.2-123.3-3.3123
452M29Very low31.6Very low172 Ų172133.6 Ų133.685%0.84778%0.78SS**  32.8124102.5-68.5-71.4-69.600120.5
453S28.3Very low30.5Very low120 Ų120136.8 Ų136.884%0.83978%0.784SS**  trans-166.6157.6134.852.40000112.8
454V33.4Very low30.4Very low115 Ų115136.5 Ų136.570%0.69778%0.778SS**  trans-102158.7-176.7-177.10000110.8V456V454-V456 HydrophobicContact CG1-CG2 4.43Å
455P34.7Very low30Very low128 Ų128136.4 Ų136.483%0.83178%0.778SS**  trans-135167133.533.8-19.8000115
456V30.2Very low29.7Very low126 Ų126134.7 Ų134.776%0.76478%0.776SS**  trans-120.6152.3-1741700000109.9V454V454-V456 HydrophobicContact CG1-CG2 4.43Å
457V27.4Very low30.3Very low124 Ų124134.1 Ų134.175%0.75278%0.78SS**  trans-179.9109.5152.4134.10000108
458Q25.9Very low30Very low182 Ų182137.4 Ų137.485%0.8578%0.784SS**  83.9158.488.1-79.8-173.7-2200115.5
459A28.2Very low30.6Very low98 Ų98138.9 Ų138.981%0.8178%0.779SS**  trans-152.2163.6-167.100000112.3
460Q30.7Very low30.4Very low181 Ų181141.9 Ų141.985%0.84678%0.782SS**  trans-164.5130169.6-116.9175.524.200116.1
461T30Very low30.5Very low120 Ų120142.2 Ų142.274%0.73678%0.784SS**  trans51.8155.4137.835.90000123.3
462M27.9Very low30.3Very low149 Ų149137.2 Ų137.273%0.73478%0.782SS**  cis-168163.2541.3177.6170.700113.5
463K28.3Very low30.2Very low171 Ų171133.3 Ų133.374%0.74378%0.777SS**  trans68.6151.7150.6-83.8177.7176.4177.40118.1
464Q28.5Very low31Very low150 Ų150132.9 Ų132.970%0.70177%0.771SS**  cis-164.2179.9-11.9-143169.6-85.300106.1
465V28.3Very low30.8Very low128 Ų128135.7 Ų135.778%0.77678%0.777SS**  cis-144.6-137.79.8-156.20000110
466A26.1Very low30.4Very low86 Ų86135 Ų13571%0.71177%0.77SS**  trans-154.2-178174.900000108.1
467P43.1Very low30.3Very low130 Ų130135.2 Ų135.284%0.84477%0.771SS**  cis-145.7-161.43643.2-19.6000117.9
468K27.4Very low30.2Very low196 Ų196134.8 Ų134.885%0.85277%0.769SS**  trans-76.8-177.5-176.9-76.1178.7179.4176.60113.7
469P42Very low30.3Very low108 Ų108131.7 Ų131.770%0.70176%0.763SS**  cis-151.61722443.5-21.6000122.7
470L28.3Very low30.2Very low158 Ų158132 Ų13283%0.82776%0.755SS**  trans62.4171.2157.4-98.256.2000117.3
471T30.1Very low30.2Very low127 Ų127131.7 Ų131.778%0.77975%0.754SS**  cis-142.5-166.71.8-17.30000108.2
472S28.3Very low30.1Very low113 Ų113132.4 Ų132.479%0.7976%0.758SS**  cis-158.8-169.6-5.652.90000110
473A28.1Very low30.6Very low89 Ų89133.7 Ų133.774%0.73676%0.762SS**  trans-157.5-166.2173.300000109.3
474P44.4Very low30.7Very low111 Ų111134.8 Ų134.872%0.72177%0.77SS**  cis-141-158.3-8.532.3-6.2000114.8
475Q28.7Very low30.9Very low175 Ų175137.7 Ų137.782%0.81877%0.774SS**  trans95.3163.7151.4-60.1-112.1-20.600121.3
476V27.4Very low30.9Very low113 Ų113138.9 Ų138.969%0.68578%0.776SS**  -144.1176.4-84.1-160.40000108.8
477V26.7Very low31.5Very low130 Ų130141.3 Ų141.379%0.78878%0.775SS**  trans78.5152.3157.2169.60000117.2
478T26.4Very low30.7Very low115 Ų115143.2 Ų143.271%0.70678%0.775SS**  cis-169165.5-37.9-70.70000107.3
479T27.4Very low31.3Very low117 Ų117139.5 Ų139.572%0.71877%0.771SS**  trans100.1124.4148.2-136.40000123.3
480T27.1Very low30.7Very low106 Ų106138.4 Ų138.465%0.6577%0.771SS**  trans39.9120.5138.356.30000125.4
481Q29.4Very low31Very low174 Ų174137.4 Ų137.481%0.81377%0.772SS**  69.4158.7124.2-77.9-161-0.400124.2
482T28.2Very low31.4Very low135 Ų135137.3 Ų137.383%0.82877%0.773SS**  trans78.9152.2162.456.80000119.7
483Q38.2Very low31.7Very low176 Ų176139.2 Ų139.282%0.82277%0.774SS**  trans-92147.3-179.8-51.7163.71.700109.2
484Q30.4Very low32.1Very low193 Ų193141 Ų14190%0.90278%0.778SS**  -172.7151.1124.3-104.216364.300115.4
485R33.8Very low31.7Very low211 Ų211143.8 Ų143.880%0.79678%0.781SS**  trans-51137.9165.2165.8-160.6-170.8-134.19.3113.2
486L27.4Very low31.8Very low154 Ų154143.7 Ų143.781%0.80678%0.784SS**  trans-159.8172.6136.7-132.169.4000114.7
487I38.1Very low32.4Very low137 Ų137146.5 Ų146.570%0.70379%0.79SS**  trans-84160.6-167.3-63.5149.3000111.6
488M27.3Very low32.9Very low169 Ų169145.4 Ų145.483%0.83379%0.786SS**  trans-127.1156.2159.7-84.1-149.870.200113.3
489P38.5Very low33.2Very low118 Ų118146.3 Ų146.377%0.76679%0.786SS**  trans-100.5-175.5-169.28.115.9000113.5
490A31.1Very low33.6Very low86 Ų86150 Ų15071%0.71179%0.793SS**  trans-119.2-177.3-173.500000114.2
491T33.1Very low34.4Very low136 Ų136150.2 Ų150.283%0.83479%0.794SS**  trans84.5152174.774.70000117.5
492P39.9Very low35Very low125 Ų125149.2 Ų149.281%0.81279%0.794SS**  cis-127.8-177.4-22.327.7-5.9000114.4
493L33Very low35.7Very low153 Ų153149.3 Ų149.380%0.80179%0.789SS**  trans-86.7167-177.1-151.185000113.4
494P36.9Very low36Very low126 Ų126145.6 Ų145.682%0.81878%0.78SS**  trans-120.3157.7138.136.4-30.8000113.6
495Q36.4Very low36.3Very low171 Ų171143 Ų14380%0.79978%0.78SS**  trans-114.5133.8-161.4171.1-169.9-6.600112.7
496I30.6Very low36.9Very low172 Ų172136.4 Ų136.488%0.88278%0.778SS**  trans-137.6146.3164.4-59.9-176.6000109.7
497Q41Very low37.8Very low172 Ų172133.5 Ų133.580%0.80477%0.767SS**  trans-115.5137.3-167.7178.4-173.431.200112
498P35.9Very low38.3Very low107 Ų107133.1 Ų133.170%0.69577%0.771SS**  trans-93.7159169.335.3-32.1000113.2
499N32.9Very low38.8Very low134 Ų134132.2 Ų132.272%0.71777%0.768SS**  trans-98.7145.1-175-179.7-72.5000112.3T501N499-T501 PolarHBondContact OD1-OG1 3.47Å
500F37.1Very low39Very low195 Ų195133 Ų13386%0.85577%0.771SS**  trans-103.1101.8175.4-69-82.7000112
501T43.8Very low39.2Very low110 Ų110134.2 Ų134.268%0.67577%0.774SS**  trans-141.969.8169.1-49.50000111.9N499N499-T501 PolarHBondContact OD1-OG1 3.47Å
502N41Very low39.3Very low154 Ų154132.3 Ų132.382%0.82477%0.772SS**  trans170.6120.4147.1-104.6-86.5000110.1
503L43.6Very low39.4Very low136 Ų136132.9 Ų132.971%0.71278%0.776SS**  trans-141.1143.7164.9-75.2176.6000108.9
504P43.8Very low39.8Very low99 Ų99129.5 Ų129.564%0.64378%0.778SS**  trans-75.6161.3-176.931.4-35.7000112.8G506P504-G506 PolarHBondContact O-N 3.42Å
505P37.2Very low40.1Very low138 Ų138127.1 Ų127.190%0.89678%0.777SS**THydrogen-bonded Turntrans-62.4131.1176.9-20.332.9000112.1
506G47.1Very low40.5Very low73 Ų73124.8 Ų124.875%0.75378%0.779SS**THydrogen-bonded Turntrans138.7-18.1175.300000115.1P504 V508P504-G506 PolarHBondContact O-N 3.42Å; G506-V508 PolarHBondContact O-N 3.14Å; G506-V508 VanDerWaalsContact O-N 3.1Å
507T45.4Very low41.2Very low93 Ų93124.2 Ų124.257%0.57178%0.778SS**  trans-73.999.4178.5-51.90000111.7L509T507-L509 HydrophobicContact CG2-CD2 4.16Å; T507-L509 HydrophobicContact CG2-CG 4.43Å
508V48.4Very low41.5Very low129 Ų129122.1 Ų122.178%0.78278%0.776SS**  trans-90.8126.6168.8-170.50000109.2G506G506-V508 PolarHBondContact O-N 3.14Å; G506-V508 VanDerWaalsContact O-N 3.1Å
509L38.5Very low41.7Very low149 Ų149120.7 Ų120.778%0.7878%0.781SS**  trans-104.8122.7175.1-63.2176.5000109.8T507T507-L509 HydrophobicContact CG2-CD2 4.16Å; T507-L509 HydrophobicContact CG2-CG 4.43Å
510T41.6Very low42.4Very low136 Ų136123.8 Ų123.883%0.83478%0.784SS**  trans-114.4128.8170.3-78.10000109.3
511S36.4Very low42.7Very low111 Ų111119 Ų11978%0.77678%0.781SS**PPolyproline II helixtrans-87.4140.7174.939.80000111.6
512A33.6Very low42.7Very low95 Ų95120.5 Ų120.579%0.78579%0.789SS**PPolyproline II helixtrans-86.4137.9169.500000110.4
513P44Very low42.8Very low137 Ų137118 Ų11889%0.8978%0.779SS**PPolyproline II helixtrans-81127.1177.2-11.328.2000112.8
514G41.2Very low42.6Very low82 Ų82116 Ų11685%0.84578%0.775SS**SBendtrans104.9129.316300000115.9
515G41.9Very low42.8Very low77 Ų77115.4 Ų115.479%0.79478%0.778SS**  trans100.8121.8176.300000113.6N517G515-N517 PolarHBondContact O-N 3.27Å; G515-N517 VanDerWaalsContact O-N 3.11Å
516S46.2Very low43.2Very low122 Ų122116.7 Ų116.785%0.85377%0.772SS**SBendtrans-85.476.5-172.946.70000113.6
517N45.2Very low43.1Very low160 Ų160121.6 Ų121.686%0.85677%0.769SS**  trans-156.8125.4156-119.2-97.9000111.1G515 G519G515-N517 PolarHBondContact O-N 3.27Å; G515-N517 VanDerWaalsContact O-N 3.11Å; N517-G519 PolarHBondContact O-N 2.89Å
518V45.9Very low43.4Very low127 Ų127122.3 Ų122.377%0.7777%0.773SS**  trans-88.285.8-175.2-780000112.3
519G41.1Very low43.5Very low77 Ų77121.5 Ų121.579%0.79477%0.769SS**  trans-87.511916900000112.1N517N517-G519 PolarHBondContact O-N 2.89Å
520Y47.1Very low43.7Very low200 Ų200121.3 Ų121.378%0.78476%0.764SS**  trans-91127.1171.6-63.5-85.3000110.5
521A43.3Very low43.8Very low94 Ų94122.6 Ų122.678%0.77777%0.765SS**  trans-104.6122.7172.200000110.2
522V43.8Very low44.2Very low141 Ų141125.7 Ų125.786%0.85577%0.767SS**  trans-98.8111.7175-177.30000108.7
523V43.5Very low44.2Very low101 Ų101130.4 Ų130.461%0.61277%0.772SS**  trans-92.2127.6176.6-177.60000109.4A525V523-A525 PolarHBondContact O-N 3.44Å
524P39.4Very low43.7Very low96 Ų96129.3 Ų129.362%0.62377%0.768SS**  trans-61.1134.7174.9-24.434.9000112.4Q526 Y527P524-Q526 PolarHBondContact O-N 3.41Å; P524-Y527 PolarHBondContact O-N 2.79Å
525A47.4Very low43.1Very low85 Ų85134.3 Ų134.370%0.70277%0.77SS**G310 helixtrans-58-21.4-172.300000115.1V523 Y527 V528V523-A525 PolarHBondContact O-N 3.44Å; A525-Y527 PolarHBondContact O-N 3.02Å; A525-V528 PolarHBondContact O-N 3.24Å
526Q46.5Very low42.7Very low166 Ų166140 Ų14078%0.77677%0.773SS**G310 helixtrans-67-21.7-179.4-63.9-168.2-39.600113.9P524 T529P524-Q526 PolarHBondContact O-N 3.41Å; Q526-T529 PolarHBondContact O-OG1 3.3Å; Q526-T529 VanDerWaalsContact O-OG1 3.09Å
527Y44.3Very low41.9Very low175 Ų175140.6 Ų140.669%0.68677%0.771SS**G310 helixtrans-78.7-20.2-178.5-133.2-87000113.6P524 A525P524-Y527 PolarHBondContact O-N 2.79Å; A525-Y527 PolarHBondContact O-N 3.02Å
528V51.2Low41.4Very low108 Ų108139.2 Ų139.266%0.65577%0.768SS**THydrogen-bonded Turntrans-76.7-34.8-178.3-176.50000111.3A525 Q530A525-V528 PolarHBondContact O-N 3.24Å; V528-Q530 VanDerWaalsContact C-N 3.32Å; V528-Q530 PolarHBondContact O-N 2.93Å
529T50.9Low40.6Very low113 Ų113141 Ų14169%0.69377%0.772SS**G310 helixtrans-73.9-14.1-175.9350000115.1Q526Q526-T529 PolarHBondContact O-OG1 3.3Å; Q526-T529 VanDerWaalsContact O-OG1 3.09Å
530Q43.4Very low40Very low145 Ų145142.1 Ų142.168%0.67877%0.774SS**G310 helixtrans-85.7-8.2-175.9-155.3171.417.500113.9V528V528-Q530 VanDerWaalsContact C-N 3.32Å; V528-Q530 PolarHBondContact O-N 2.93Å
531L42.7Very low39.1Very low163 Ų163138.5 Ų138.585%0.85378%0.779SS**G310 helixtrans-91.93.9-179.8-79.8169.1000114.8
532Q46.6Very low38.5Very low175 Ų175139.8 Ų139.882%0.81878%0.782SS**SBendtrans-133.143.3-173.2-153.2172.630.600114.7
533Q32.9Very low38Very low194 Ų194138.8 Ų138.891%0.90778%0.781SS**  trans-152.7109.3164.4-125.6155.286.300112.5
534S33.5Very low37.3Very low114 Ų114139.6 Ų139.680%0.79779%0.791SS**  trans-129.9109.6174.746.70000109.9
535Q28.3Very low37.2Very low188 Ų188144.5 Ų144.588%0.87980%0.803SS**  trans-141.2153.5161.9-78-152.1-29.200111.6
536F34.5Very low36.7Very low196 Ų196146.5 Ų146.586%0.8681%0.809SS**  trans-76153.1-154.9-59-99.2000115.2
537V28.3Very low35.9Very low135 Ų135143.4 Ų143.482%0.81881%0.812SS**  trans-132.7128.5153.5178.50000108.5
538T34.1Very low35.3Very low130 Ų130140.6 Ų140.680%0.79882%0.817SS**  trans-87140.2176-50.70000110.7
539L29.1Very low34.3Very low164 Ų164141.4 Ų141.486%0.85983%0.828SS**  trans-124.1129.9168.4-79.1169000110.1
540A29Very low33.5Very low101 Ų101141.5 Ų141.584%0.83583%0.833SS**  trans-96.4146.4179.700000111.4
541S29.5Very low33Very low125 Ų125140.7 Ų140.787%0.87484%0.838SS**  trans-79.3140.2-174.1-49.10000113.7
542S29.8Very low32.5Very low121 Ų121141.2 Ų141.285%0.84684%0.836SS**  trans-148.3128.6153.363.80000109.6
543S33.2Very low31.6Very low119 Ų119139.7 Ų139.783%0.83284%0.839SS**  trans-121.1130.6-16746.80000113.1
544S29.1Very low31.6Very low118 Ų118139.2 Ų139.283%0.82584%0.837SS**  trans-163128.8159.554.80000110.7
545F36.2Very low31.9Very low200 Ų200138.9 Ų138.988%0.87784%0.841SS**  trans-88.3161.7169.4-69.2-90.1000110.2
546P37.7Very low32Very low127 Ų127139.8 Ų139.883%0.82584%0.842SS**  -130.3168.1111.537.3-31.3000114
547A30.8Very low32Very low101 Ų101137.9 Ų137.984%0.83584%0.84SS**  trans-81.3165.1-17100000114.6
548S30.6Very low32.5Very low115 Ų115137.8 Ų137.880%0.80484%0.842SS**  trans-83.9157-177.153.80000114
549S30.8Very low32.3Very low126 Ų126142.5 Ų142.588%0.88185%0.847SS**  trans-145.2137.6162.4-70.30000108.4
550S34.1Very low33Very low114 Ų114140.8 Ų140.880%0.79784%0.839SS**  trans-95.3147.7-176.851.60000111.7
551V32.6Very low33.4Very low128 Ų128137.9 Ų137.978%0.77682%0.818SS**  trans-174.8128.3142.2138.10000111.6
552Q31.1Very low34.1Very low175 Ų175138.9 Ų138.982%0.81882%0.819SS**  trans32.3117.3151.6-54.4175.6-300121
553T28.9Very low34.7Very low143 Ų143137.4 Ų137.488%0.87781%0.808SS**  trans-86.2117.8166.8-52.30000111.8
554Q33.3Very low34.8Very low183 Ų183136.8 Ų136.886%0.85581%0.811SS**  trans-110144.1151.7-72.1-167.96.700109.5
555A39.1Very low35.4Very low107 Ų107136.2 Ų136.288%0.88481%0.813SS**  trans-73.3132.5-175.600000112
556K29.7Very low35.4Very low208 Ų208134.9 Ų134.990%0.90481%0.81SS**  trans-138.8143.1169-163.8176.3-178.6-177.10111.2
557L34.9Very low35.6Very low156 Ų156136 Ų13682%0.81782%0.815SS**  trans-64.4151-175-62165.5000113.1Y559L557-Y559 PolarHBondContact O-N 3.29Å; L557-Y559 VanDerWaalsContact O-N 3.14Å
558P38.9Very low36.1Very low133 Ų133136.5 Ų136.586%0.86481%0.807SS**  trans-73.5102.5179.929.8-34.7000112.4
559Y29.4Very low36.9Very low229 Ų229136 Ų13690%0.89880%0.804SS**  trans-99.6130.7168.5-172.1-96.4000110.4L557L557-Y559 PolarHBondContact O-N 3.29Å; L557-Y559 VanDerWaalsContact O-N 3.14Å
560N44.8Very low38.1Very low128 Ų128139 Ų13968%0.68480%0.796SS**  trans-113.193.3-163.2-174.810.1000113.7R643N560-R643 PolarHBondContact O-NH1 2.95Å
561G36.6Very low39.2Very low40 Ų40140.1 Ų140.141%0.41280%0.8SS.*  trans-161.5147.4176.800000115.7
562V45Very low41.3Very low145 Ų145141 Ų14188%0.87979%0.789SS**  trans61.1169.2169.4-50.60000118.8
563S42.7Very low44.1Very low90 Ų90141.8 Ų141.863%0.62979%0.79SS**  -174.9115.2-101.6-74.30000112.8
564A35.7Very low47.2Very low107 Ų107137.6 Ų137.688%0.88477%0.765SS**  trans-154.4171.216000000110.1E566A564-E566 PolarHBondContact O-N 3.35Å
565A41.3Very low50.2Low106 Ų106129.2 Ų129.288%0.87673%0.727SS**  trans-75.1117.3-169.100000113.6
566E35.2Very low52.9Low172 Ų172129.4 Ų129.480%0.80471%0.713SS**  trans-150.3134.9155.2-136.8178.6163.500108.5A564 T568A564-E566 PolarHBondContact O-N 3.35Å; E566-T568 PolarHBondContact O-N 3.35Å
567T42.8Very low56.2Low151 Ų151120.2 Ų120.293%0.92668%0.675SS**  trans-81.843.8-175.146.80000112.7S569T567-S569 PolarHBondContact O-N 3.14Å
568T40.9Very low59.1Low111 Ų111117 Ų11768%0.68166%0.662SS**  trans-77.7109.2168.4-173.80000109.4E566 R570E566-T568 PolarHBondContact O-N 3.35Å; T568-R570 PolarHBondContact O-N 2.86Å
569S47.9Very low61.8Low104 Ų104119.8 Ų119.873%0.72766%0.66SS**  trans-72.883.4-173.9460000111.4T567 P571T567-S569 PolarHBondContact O-N 3.14Å; S569-P571 VanDerWaalsContact O-CD 3.32Å; S569-P571 WeakPolarHBondContact O-CD 3.34Å; S569-P571 VanDerWaalsContact O-N 3.09Å
570R56Low65Low190 Ų190109.3 Ų109.372%0.71762%0.621SS**  trans-48.3120.3161.2-66-173.4-175.4-134.90.7107.8T568 R572T568-R570 PolarHBondContact O-N 2.86Å; R570-R572 PolarHBondContact O-N 3.12Å
571P57.2Low67.5Low137 Ų137107.2 Ų107.289%0.8961%0.607SS**  trans-53105.8-173.7-31.137000111.6S569S569-P571 VanDerWaalsContact O-CD 3.32Å; S569-P571 WeakPolarHBondContact O-CD 3.34Å; S569-P571 VanDerWaalsContact O-N 3.09Å
572R76.6Confident70.4Confident145 Ų145105.3 Ų105.355%0.54759%0.587SS.*PPolyproline II helixtrans-74.6151.5177.3-61.5-56.5-157.3-166.31108.2R570 E594R570-R572 PolarHBondContact O-N 3.12Å; R572-E594 IonicContact CZ-OE1 3.11Å; R572-E594 IonicContact CZ-OE2 3.21Å; R572-E594 IonicContact NE-OE1 2.66Å; R572-E594 PolarHBondContact NE-OE1 3.42Å; R572-E594 IonicContact NE-OE2 2.82Å; R572-E594 PolarHBondContact NE-OE2 3.33Å; R572-E594 IonicContact NH2-OE1 3.43Å; R572-E594 PolarHBondContact NH2-OE1 2.87Å; R572-E594 IonicContact NH2-OE2 2.78Å
573K88.2Confident72.9Confident193 Ų19399.4 Ų99.484%0.83955%0.55SS**PPolyproline II helixtrans-66.1127.2166.7-77.5-169.6170.4-171.50108.6C575K573-C575 PolarHBondContact O-N 3.39Å
574P94.4Very high75.5Confident54 Ų5499.6 Ų99.635%0.35154%0.54SS..PPolyproline II helixtrans-64.3134.9175.926.6-34000109.8N576 N598P574-N576 PolarHBondContact O-ND2 3.43Å; P574-N576 VanDerWaalsContact O-ND2 3.08Å; P574-N598 WeakPolarHBondContact CB-O 3.44Å
575C96.7Very high78.3Confident7 Ų798 Ų985%0.04752%0.516CS..PPolyproline II helixtrans-78.6146.1177.480.80000110.8K573 C587 C599 N600 C601K573-C575 PolarHBondContact O-N 3.39Å; C575-C587 VanDerWaalsContact SG-SG 3.66Å; C575-C599 PolarHBondContact N-SG 2.94Å; C575-C599 VanDerWaalsContact N-SG 3.39Å; C575-N600 CarbonylContact O-C 3.48Å; C575-N600 WeakPolarHBondContact O-CA 3.37Å; C575-N600 PolarHBondContact O-N 3.19Å; C575-C601 PolarHBondContact O-N 3.5Å
576N96.6Very high80.8Confident111 Ų111102.4 Ų102.459%0.59451%0.512SS*.  trans-112.543.2-175.7-62.2-96.1000110.1P574 N600P574-N576 PolarHBondContact O-ND2 3.43Å; P574-N576 VanDerWaalsContact O-ND2 3.08Å; N576-N600 VanDerWaalsContact OD1-CB 3.24Å; N576-N600 WeakPolarHBondContact OD1-CB 3.09Å; N576-N600 PolarHBondContact OD1-ND2 2.9Å
577C97.9Very high83.7Confident15 Ų1594.2 Ų94.210%0.10147%0.473CS..  trans-74139.9-171-73.70000112.7S580 C582 C587 C601 N602C577-S580 VanDerWaalsContact CB-OG 3.29Å; C577-S580 WeakPolarHBondContact CB-OG 3.41Å; C577-S580 PolarHBondContact SG-OG 2.81Å; C577-S580 VanDerWaalsContact SG-OG 3.41Å; C577-C582 VanDerWaalsContact CB-SG 3.59Å; C577-C587 VanDerWaalsContact SG-CB 3.57Å; C577-C601 HydrophobicContact CB-CB 3.89Å; C577-C601 CarbonylContact O-C 3.37Å; C577-C601 VanDerWaalsContact O-CA 3.31Å; C577-C601 WeakPolarHBondContact O-CA 3.32Å; C577-N602 PolarHBondContact O-N 2.84Å
578T96.8Very high86.1Confident90 Ų9092.3 Ų92.355%0.55246%0.458SS*.SBendtrans-129.1-34.5176.754.20000114.2N602T578-N602 HydrophobicContact CG2-CB 4.45Å
579K96.1Very high88.8Confident190 Ų19087.6 Ų87.683%0.82643%0.429SS*.SBendtrans-111.4-0.3-175.7-61.6-176.4179.9-176.70114.8
580S95.5Very high91.1Very high9 Ų982.7 Ų82.76%0.06340%0.395CS..SBendtrans-96.5-16.2-17958.50000113.9C577 C582 L583C577-S580 VanDerWaalsContact CB-OG 3.29Å; C577-S580 WeakPolarHBondContact CB-OG 3.41Å; C577-S580 PolarHBondContact SG-OG 2.81Å; C577-S580 VanDerWaalsContact SG-OG 3.41Å; S580-C582 PolarHBondContact O-N 2.85Å; S580-C582 VanDerWaalsContact O-N 3.08Å; S580-C582 PolarHBondContact OG-N 3.14Å; S580-L583 PolarHBondContact O-N 2.92Å
581Q96.9Very high92.9Very high85 Ų8574.6 Ų74.640%0.39737%0.368SS..THydrogen-bonded Turntrans51.518.7-163-65.6163.8-20.400113L583 N603 F605Q581-L583 HydrophobicContact CB-CG 4.49Å; Q581-L583 PolarHBondContact O-N 3.35Å; Q581-L583 VanDerWaalsContact O-N 3.14Å; Q581-N603 VanDerWaalsContact CA-O 3.26Å; Q581-N603 WeakPolarHBondContact CA-O 3.37Å; Q581-N603 WeakPolarHBondContact CB-O 3.46Å; Q581-F605 HydrophobicContact CB-CB 4.5Å; Q581-F605 HydrophobicContact CB-CD2 4.33Å; Q581-F605 HydrophobicContact CB-CG 4.39Å; Q581-F605 PolarHBondContact O-N 3.48Å
582C98.1Very high94.6Very high0 Ų072.8 Ų72.80%035%0.351CS..THydrogen-bonded Turntrans56.811.4-165-57.40000115.5C577 S580 K584 C587 F590 C596 C601 C604 N606C577-C582 VanDerWaalsContact CB-SG 3.59Å; S580-C582 PolarHBondContact O-N 2.85Å; S580-C582 VanDerWaalsContact O-N 3.08Å; S580-C582 PolarHBondContact OG-N 3.14Å; C582-K584 PolarHBondContact O-N 3.48Å; C582-C587 HydrophobicContact CB-CB 4.29Å; C582-F590 WeakPolarHBondContact O-CB 3.48Å; C582-F590 WeakPolarHBondContact O-CD2 3.2Å; C582-F590 WeakPolarHBondContact O-CG 3.27Å; C582-C596 VanDerWaalsContact SG-SG 3.65Å; C582-C601 VanDerWaalsContact SG-CB 3.5Å; C582-C604 VanDerWaalsContact SG-SG 3.67Å; C582-N606 HydrophobicContact CB-CB 3.41Å; C582-N606 VanDerWaalsContact CB-CB 3.41Å
583L97.1Very high95.4Very high20 Ų2067.6 Ų67.611%0.10534%0.342CS..  trans-96.525.4-179.3-67.1-173.1000114.3S580 Q581 F590 F605 E613 R614 A617S580-L583 PolarHBondContact O-N 2.92Å; Q581-L583 HydrophobicContact CB-CG 4.49Å; Q581-L583 PolarHBondContact O-N 3.35Å; Q581-L583 VanDerWaalsContact O-N 3.14Å; L583-F590 HydrophobicContact CD2-CD2 4.44Å; L583-F590 HydrophobicContact CD2-CE2 4.1Å; L583-F605 HydrophobicContact CD1-CB 3.69Å; L583-F605 HydrophobicContact CD1-CD2 4.02Å; L583-F605 HydrophobicContact CD1-CG 4.39Å; L583-F605 HydrophobicContact CD2-CB 4.18Å; L583-F605 WeakPolarHBondContact CD2-O 3.48Å; L583-F605 HydrophobicContact CG-CB 3.83Å; L583-E613 HydrophobicContact CD1-CB 3.79Å; L583-R614 HydrophobicContact CD2-CB 4.01Å; L583-R614 HydrophobicContact CD2-CG 4.18Å; L583-A617 HydrophobicContact CB-CB 3.85Å; L583-A617 HydrophobicContact CD1-CB 4.39Å; L583-A617 HydrophobicContact CD2-CB 4.18Å; L583-A617 HydrophobicContact CG-CB 4.38Å
584K96.5Very high95.7Very high94 Ų9461.7 Ų61.741%0.40932%0.318SS..SBendtrans-145.7149.3-174.9-57.7176.6-169.1164.80109.3C582 Y586 C587C582-K584 PolarHBondContact O-N 3.48Å; K584-Y586 HydrophobicContact CB-CD2 3.72Å; K584-Y586 HydrophobicContact CB-CE2 4.33Å; K584-Y586 HydrophobicContact CD-CD2 4.17Å; K584-Y586 HydrophobicContact CD-CE2 4.28Å; K584-Y586 PolarHBondContact O-N 3.18Å; K584-C587 WeakPolarHBondContact O-CB 3.31Å; K584-C587 PolarHBondContact O-N 3.08Å
585L94.9Very high95.8Very high75 Ų7563 Ų6339%0.39332%0.318SS..THydrogen-bonded Turntrans-62.94.9178.5-56.6175.2000115.2C587 F590 A591 A628 F629L585-C587 VanDerWaalsContact C-N 3.3Å; L585-F590 HydrophobicContact CD2-CD1 4.15Å; L585-F590 HydrophobicContact CD2-CE1 4.25Å; L585-A591 HydrophobicContact CD2-CB 4.12Å; L585-A628 HydrophobicContact CD1-CB 4.21Å; L585-F629 HydrophobicContact CD2-CD1 4.39Å; L585-F629 HydrophobicContact CD2-CE1 3.86Å; L585-F629 HydrophobicContact CD2-CZ 4.24Å
586Y94.3Very high95.9Very high198 Ų19863.7 Ų63.778%0.77632%0.323SS*.THydrogen-bonded Turntrans-80-11.1164.6-51.3-67.3000113K584K584-Y586 HydrophobicContact CB-CD2 3.72Å; K584-Y586 HydrophobicContact CB-CE2 4.33Å; K584-Y586 HydrophobicContact CD-CD2 4.17Å; K584-Y586 HydrophobicContact CD-CE2 4.28Å; K584-Y586 PolarHBondContact O-N 3.18Å
587C96.9Very high95.8Very high0 Ų064.2 Ų64.20%033%0.325CS..SBendtrans-100.6121.2171.9173.60000108.5C575 C577 C582 K584 L585 C589 F590 A591C575-C587 VanDerWaalsContact SG-SG 3.66Å; C577-C587 VanDerWaalsContact SG-CB 3.57Å; C582-C587 HydrophobicContact CB-CB 4.29Å; K584-C587 WeakPolarHBondContact O-CB 3.31Å; K584-C587 PolarHBondContact O-N 3.08Å; L585-C587 VanDerWaalsContact C-N 3.3Å; C587-C589 VanDerWaalsContact C-N 3.34Å; C587-C589 PolarHBondContact O-N 2.89Å; C587-F590 HydrophobicContact CB-CB 4.1Å; C587-F590 PolarHBondContact O-N 3.42Å; C587-A591 WeakPolarHBondContact O-CB 3.39Å; C587-A591 PolarHBondContact O-N 3.3Å
588D93.4Very high95.7Very high111 Ų11170.3 Ų70.359%0.59436%0.357SS*.Hα-helixtrans-65.4-35.7-176.6-56.7-60.9000112.8F590 A591 N592D588-F590 PolarHBondContact O-N 3.37Å; D588-A591 PolarHBondContact O-N 3.31Å; D588-N592 WeakPolarHBondContact O-CB 3.34Å; D588-N592 VanDerWaalsContact O-CG 3.27Å; D588-N592 PolarHBondContact O-N 2.93Å; D588-N592 PolarHBondContact O-ND2 2.98Å
589C95.9Very high95.7Very high12 Ų1267.4 Ų67.48%0.08134%0.34CS..Hα-helixtrans-56.8-53.3175-52.30000110.5C587 N592 G593 E594 C596C587-C589 VanDerWaalsContact C-N 3.34Å; C587-C589 PolarHBondContact O-N 2.89Å; C589-N592 PolarHBondContact O-N 3.15Å; C589-G593 PolarHBondContact O-N 3.31Å; C589-E594 CarbonylContact C-O 2.97Å; C589-E594 PolarHBondContact O-N 2.92Å; C589-E594 VanDerWaalsContact O-O 3.09Å; C589-C596 VanDerWaalsContact CB-SG 3.55Å
590F96.4Very high95.7Very high1 Ų163 Ų630%0.00433%0.326CS..Hα-helixtrans-65.8-38.9178.2-176.2-91.9000112.4C582 L583 L585 C587 D588 N592 G593 R614 A617 I618 F629C582-F590 WeakPolarHBondContact O-CB 3.48Å; C582-F590 WeakPolarHBondContact O-CD2 3.2Å; C582-F590 WeakPolarHBondContact O-CG 3.27Å; L583-F590 HydrophobicContact CD2-CD2 4.44Å; L583-F590 HydrophobicContact CD2-CE2 4.1Å; L585-F590 HydrophobicContact CD2-CD1 4.15Å; L585-F590 HydrophobicContact CD2-CE1 4.25Å; C587-F590 HydrophobicContact CB-CB 4.1Å; C587-F590 PolarHBondContact O-N 3.42Å; D588-F590 PolarHBondContact O-N 3.37Å; F590-N592 PolarHBondContact O-N 3.07Å; F590-G593 WeakPolarHBondContact O-CA 3.17Å; F590-G593 PolarHBondContact O-N 2.99Å; F590-R614 HydrophobicContact CE2-CG 4.42Å; F590-A617 HydrophobicContact CE2-CB 4.24Å; F590-A617 HydrophobicContact CZ-CB 3.91Å; F590-I618 HydrophobicContact CE2-CG1 3.83Å; F590-I618 HydrophobicContact CZ-CG1 3.89Å; F590-F629 HydrophobicContact CD1-CE1 4.08Å; F590-F629 HydrophobicContact CD1-CZ 4.45Å; F590-F629 AromaticContact CE1-CE1 3.82Å; F590-F629 HydrophobicContact CE1-CE1 3.82Å; F590-F629 AromaticContact CE1-CZ 3.74Å; F590-F629 HydrophobicContact CE1-CZ 3.74Å; F590-F629 HydrophobicContact CZ-CE1 4.27Å; F590-F629 AromaticContact CZ-CZ 3.97Å; F590-F629 HydrophobicContact CZ-CZ 3.97Å; F590-F629 VanDerWaalsContact O-CE1 3.26Å; F590-F629 WeakPolarHBondContact O-CE1 3.44Å
591A94.6Very high95.8Very high19 Ų1963.6 Ų63.616%0.15733%0.33CS..Hα-helixtrans-63.1-28.4175.700000113.1L585 C587 D588 G593L585-A591 HydrophobicContact CD2-CB 4.12Å; C587-A591 WeakPolarHBondContact O-CB 3.39Å; C587-A591 PolarHBondContact O-N 3.3Å; D588-A591 PolarHBondContact O-N 3.31Å; A591-G593 VanDerWaalsContact C-N 3.32Å
592N92.8Very high95.8Very high100 Ų10064 Ų6454%0.53534%0.335SS..THydrogen-bonded Turntrans-82.8-5171.1-67.1-41.6000113.6D588 C589 F590 E594D588-N592 WeakPolarHBondContact O-CB 3.34Å; D588-N592 VanDerWaalsContact O-CG 3.27Å; D588-N592 PolarHBondContact O-N 2.93Å; D588-N592 PolarHBondContact O-ND2 2.98Å; C589-N592 PolarHBondContact O-N 3.15Å; F590-N592 PolarHBondContact O-N 3.07Å; N592-E594 HydrophobicContact CB-CG 4.13Å; N592-E594 PolarHBondContact O-N 2.91Å
593G93.8Very high95.7Very high35 Ų3569.7 Ų69.736%0.36137%0.365SS..THydrogen-bonded Turntrans76.60.5-172.800000114.7C589 F590 A591 R614C589-G593 PolarHBondContact O-N 3.31Å; F590-G593 WeakPolarHBondContact O-CA 3.17Å; F590-G593 PolarHBondContact O-N 2.99Å; A591-G593 VanDerWaalsContact C-N 3.32Å; G593-R614 PolarHBondContact O-NH2 3.05Å
594E94.4Very high95.7Very high70 Ų7069.9 Ų69.933%0.32737%0.368SS..  trans-79.5150.5-179.8-63.9175.7179.400110.5R572 C589 N592 N606R572-E594 IonicContact CZ-OE1 3.11Å; R572-E594 IonicContact CZ-OE2 3.21Å; R572-E594 IonicContact NE-OE1 2.66Å; R572-E594 PolarHBondContact NE-OE1 3.42Å; R572-E594 IonicContact NE-OE2 2.82Å; R572-E594 PolarHBondContact NE-OE2 3.33Å; R572-E594 IonicContact NH2-OE1 3.43Å; R572-E594 PolarHBondContact NH2-OE1 2.87Å; R572-E594 IonicContact NH2-OE2 2.78Å; C589-E594 CarbonylContact C-O 2.97Å; C589-E594 PolarHBondContact O-N 2.92Å; C589-E594 VanDerWaalsContact O-O 3.09Å; N592-E594 HydrophobicContact CB-CG 4.13Å; N592-E594 PolarHBondContact O-N 2.91Å; E594-N606 PolarHBondContact O-ND2 3.03Å
595F96.8Very high95.8Very high80 Ų8068 Ų6835%0.35136%0.36SS..  trans-70.6156.9166.4-68.3-79.2000110.3N597 N607 L608 R614F595-N597 PolarHBondContact O-N 2.83Å; F595-N607 WeakPolarHBondContact CE1-O 3.07Å; F595-L608 HydrophobicContact CE1-CD2 3.98Å; F595-L608 HydrophobicContact CE1-CG 4.38Å; F595-L608 HydrophobicContact CE2-CD2 4.04Å; F595-L608 HydrophobicContact CZ-CD2 3.52Å; F595-L608 HydrophobicContact CZ-CG 4.31Å; F595-R614 VanDerWaalsContact CE1-CD 3.46Å; F595-R614 VanDerWaalsContact CE1-NE 3.31Å
596C97.1Very high95.9Very high23 Ų2364.4 Ų64.416%0.15534%0.341CS..  trans-76.8112.2172-75.30000109.8C582 C589 C599 C604 N606C582-C596 VanDerWaalsContact SG-SG 3.65Å; C589-C596 VanDerWaalsContact CB-SG 3.55Å; C596-C599 HydrophobicContact CB-CB 4.22Å; C596-C604 VanDerWaalsContact CB-SG 3.58Å; C596-N606 HydrophobicContact CB-CB 4.5Å; C596-N606 PolarHBondContact N-ND2 3.4Å; C596-N606 PolarHBondContact N-O 2.81Å; C596-N606 PolarHBondContact SG-ND2 2.67Å
597N95.8Very high96Very high121 Ų12156.7 Ų56.765%0.64731%0.313SS*.  trans-113.9139.3173-166.211.2000110.4F595 C599F595-N597 PolarHBondContact O-N 2.83Å; N597-C599 PolarHBondContact O-N 2.88Å; N597-C599 VanDerWaalsContact O-N 3.09Å; N597-C599 PolarHBondContact O-SG 3.33Å
598N94.6Very high96Very high143 Ų14362.4 Ų62.477%0.76534%0.343SS*.SBendtrans40.943.3-176.1-56.2107.1000114.5P574P574-N598 WeakPolarHBondContact CB-O 3.44Å
599C96.8Very high96.1Very high30 Ų3063.8 Ų63.820%0.20335%0.346CS..  trans-100.9147.3-173.4-76.40000113.8C575 C596 N597 C601C575-C599 PolarHBondContact N-SG 2.94Å; C575-C599 VanDerWaalsContact N-SG 3.39Å; C596-C599 HydrophobicContact CB-CB 4.22Å; N597-C599 PolarHBondContact O-N 2.88Å; N597-C599 VanDerWaalsContact O-N 3.09Å; N597-C599 PolarHBondContact O-SG 3.33Å; C599-C601 HydrophobicContact CB-CB 4.41Å; C599-C601 WeakPolarHBondContact CB-SG 3.26Å; C599-C601 PolarHBondContact O-N 3.26Å
600N96.7Very high96.2Very high96 Ų9665.8 Ų65.851%0.51335%0.354SS..  trans-80.731.3177.1-57.3-10.6000112.8C575 N576C575-N600 CarbonylContact O-C 3.48Å; C575-N600 WeakPolarHBondContact O-CA 3.37Å; C575-N600 PolarHBondContact O-N 3.19Å; N576-N600 VanDerWaalsContact OD1-CB 3.24Å; N576-N600 WeakPolarHBondContact OD1-CB 3.09Å; N576-N600 PolarHBondContact OD1-ND2 2.9Å
601C97.4Very high96.2Very high22 Ų2270.2 Ų70.215%0.14938%0.375CS..  trans-96.2128.7-171.350.80000112.4C575 C577 C582 C599 C604C575-C601 PolarHBondContact O-N 3.5Å; C577-C601 HydrophobicContact CB-CB 3.89Å; C577-C601 CarbonylContact O-C 3.37Å; C577-C601 VanDerWaalsContact O-CA 3.31Å; C577-C601 WeakPolarHBondContact O-CA 3.32Å; C582-C601 VanDerWaalsContact SG-CB 3.5Å; C599-C601 HydrophobicContact CB-CB 4.41Å; C599-C601 WeakPolarHBondContact CB-SG 3.26Å; C599-C601 PolarHBondContact O-N 3.26Å; C601-C604 HydrophobicContact CB-CB 4.43Å; C601-C604 VanDerWaalsContact SG-CB 3.57Å; C601-C604 VanDerWaalsContact SG-SG 3.65Å
602N97.1Very high96.3Very high95 Ų9574.4 Ų74.451%0.50840%0.399SS..THydrogen-bonded Turntrans-85.1141176.9-69.8-102.9000110.1C577 T578 C604C577-N602 PolarHBondContact O-N 2.84Å; T578-N602 HydrophobicContact CG2-CB 4.45Å; N602-C604 VanDerWaalsContact C-N 3.34Å; N602-C604 PolarHBondContact O-N 3.33Å
603N96.2Very high96.6Very high119 Ų11973.6 Ų73.664%0.63639%0.392SS*.THydrogen-bonded Turntrans48.550.9-177.5-59.390.9000112.9Q581 F605Q581-N603 VanDerWaalsContact CA-O 3.26Å; Q581-N603 WeakPolarHBondContact CA-O 3.37Å; Q581-N603 WeakPolarHBondContact CB-O 3.46Å; N603-F605 PolarHBondContact O-N 3.45Å
604C97.9Very high96.8Very high24 Ų2473 Ų7316%0.16238%0.378CS..  trans-74.1119.5-179-170.80000111.9C582 C596 C601 N602 N606 N607C582-C604 VanDerWaalsContact SG-SG 3.67Å; C596-C604 VanDerWaalsContact CB-SG 3.58Å; C601-C604 HydrophobicContact CB-CB 4.43Å; C601-C604 VanDerWaalsContact SG-CB 3.57Å; C601-C604 VanDerWaalsContact SG-SG 3.65Å; N602-C604 VanDerWaalsContact C-N 3.34Å; N602-C604 PolarHBondContact O-N 3.33Å; C604-N606 PolarHBondContact SG-N 3.41Å; C604-N607 PolarHBondContact O-ND2 2.88Å
605F97.9Very high96.9Very high53 Ų5374.1 Ų74.123%0.23239%0.386CS..  trans-108.513.4169.9-65.4-5.7000111.6Q581 L583 N603 N607 H610 E613Q581-F605 HydrophobicContact CB-CB 4.5Å; Q581-F605 HydrophobicContact CB-CD2 4.33Å; Q581-F605 HydrophobicContact CB-CG 4.39Å; Q581-F605 PolarHBondContact O-N 3.48Å; L583-F605 HydrophobicContact CD1-CB 3.69Å; L583-F605 HydrophobicContact CD1-CD2 4.02Å; L583-F605 HydrophobicContact CD1-CG 4.39Å; L583-F605 HydrophobicContact CD2-CB 4.18Å; L583-F605 WeakPolarHBondContact CD2-O 3.48Å; L583-F605 HydrophobicContact CG-CB 3.83Å; N603-F605 PolarHBondContact O-N 3.45Å; F605-N607 VanDerWaalsContact C-N 3.29Å; F605-N607 PolarHBondContact O-N 3.14Å; F605-H610 HydrophobicContact CB-CB 3.68Å; F605-H610 HydrophobicContact CD1-CB 4.33Å; F605-H610 AromaticContact CD1-CD2 3.37Å; F605-H610 WeakPolarHBondContact CD1-CD2 3.49Å; F605-H610 AromaticContact CD1-CE1 3.61Å; F605-H610 AromaticContact CD1-CG 3.54Å; F605-H610 AromaticContact CD1-ND1 3.67Å; F605-H610 AromaticContact CD1-NE2 3.41Å; F605-H610 WeakPolarHBondContact CD1-NE2 3.19Å; F605-H610 AromaticContact CE1-CD2 3.56Å; F605-H610 AromaticContact CE1-CE1 3.89Å; F605-H610 AromaticContact CE1-NE2 3.32Å; F605-H610 VanDerWaalsContact CE1-NE2 3.32Å; F605-H610 WeakPolarHBondContact CE1-NE2 3.26Å; F605-H610 HydrophobicContact CG-CB 4.02Å; F605-H610 AromaticContact CG-CD2 3.75Å; F605-H610 AromaticContact CG-CG 3.73Å; F605-E613 HydrophobicContact CD2-CB 4.46Å; F605-E613 HydrophobicContact CD2-CG 4.34Å
606N97.6Very high96.9Very high0 Ų077.5 Ų77.50%040%0.401CS..SBendtrans-95.355.8172.8-174.540.9000110.8C582 E594 C596 C604 R614C582-N606 HydrophobicContact CB-CB 3.41Å; C582-N606 VanDerWaalsContact CB-CB 3.41Å; E594-N606 PolarHBondContact O-ND2 3.03Å; C596-N606 HydrophobicContact CB-CB 4.5Å; C596-N606 PolarHBondContact N-ND2 3.4Å; C596-N606 PolarHBondContact N-O 2.81Å; C596-N606 PolarHBondContact SG-ND2 2.67Å; C604-N606 PolarHBondContact SG-N 3.41Å; N606-R614 PolarHBondContact OD1-NE 3.33Å
607N96.6Very high96.9Very high37 Ų3777.1 Ų77.120%0.19840%0.399CS..SBendtrans-140.1-176.7-176.956-3.7000109.5F595 C604 F605 E609 H610F595-N607 WeakPolarHBondContact CE1-O 3.07Å; C604-N607 PolarHBondContact O-ND2 2.88Å; F605-N607 VanDerWaalsContact C-N 3.29Å; F605-N607 PolarHBondContact O-N 3.14Å; N607-E609 WeakPolarHBondContact CB-OE2 3.45Å; N607-E609 PolarHBondContact ND2-OE2 3.06Å; N607-H610 PolarHBondContact OD1-ND1 3.27Å
608L95.8Very high97Very high119 Ų11973.1 Ų73.162%0.62338%0.377SS*.SBendtrans-78.7-28.8-176.7-71169.8000111.9F595 H610 E611F595-L608 HydrophobicContact CE1-CD2 3.98Å; F595-L608 HydrophobicContact CE1-CG 4.38Å; F595-L608 HydrophobicContact CE2-CD2 4.04Å; F595-L608 HydrophobicContact CZ-CD2 3.52Å; F595-L608 HydrophobicContact CZ-CG 4.31Å; L608-H610 VanDerWaalsContact C-N 3.28Å; L608-H610 PolarHBondContact O-N 2.71Å; L608-E611 PolarHBondContact O-N 3.4Å
609E96.8Very high97.1Very high141 Ų14173.8 Ų73.866%0.65937%0.373SS*.THydrogen-bonded Turntrans-66-30.1-177-58.873-159.800112.3N607N607-E609 WeakPolarHBondContact CB-OE2 3.45Å; N607-E609 PolarHBondContact ND2-OE2 3.06Å
610H96.7Very high97.1Very high54 Ų5475 Ų7525%0.2538%0.38CS..THydrogen-bonded Turntrans-112.236.6179.8-53.385.4000111.7F605 N607 L608 T612 E613 R614F605-H610 HydrophobicContact CB-CB 3.68Å; F605-H610 HydrophobicContact CD1-CB 4.33Å; F605-H610 AromaticContact CD1-CD2 3.37Å; F605-H610 WeakPolarHBondContact CD1-CD2 3.49Å; F605-H610 AromaticContact CD1-CE1 3.61Å; F605-H610 AromaticContact CD1-CG 3.54Å; F605-H610 AromaticContact CD1-ND1 3.67Å; F605-H610 AromaticContact CD1-NE2 3.41Å; F605-H610 WeakPolarHBondContact CD1-NE2 3.19Å; F605-H610 AromaticContact CE1-CD2 3.56Å; F605-H610 AromaticContact CE1-CE1 3.89Å; F605-H610 AromaticContact CE1-NE2 3.32Å; F605-H610 VanDerWaalsContact CE1-NE2 3.32Å; F605-H610 WeakPolarHBondContact CE1-NE2 3.26Å; F605-H610 HydrophobicContact CG-CB 4.02Å; F605-H610 AromaticContact CG-CD2 3.75Å; F605-H610 AromaticContact CG-CG 3.73Å; N607-H610 PolarHBondContact OD1-ND1 3.27Å; L608-H610 VanDerWaalsContact C-N 3.28Å; L608-H610 PolarHBondContact O-N 2.71Å; H610-T612 PolarHBondContact O-N 2.96Å; H610-E613 HydrophobicContact CB-CB 4.42Å; H610-E613 PolarHBondContact O-N 2.98Å; H610-R614 VanDerWaalsContact O-CB 3.31Å; H610-R614 WeakPolarHBondContact O-CB 3.49Å; H610-R614 PolarHBondContact O-N 2.96Å
611E96.8Very high97.1Very high94 Ų9471.5 Ų71.544%0.43936%0.363SS..Hα-helixtrans-57.5-35.4-177.8179.2164.6-11900112.6L608 R614 L615L608-E611 PolarHBondContact O-N 3.4Å; E611-R614 PolarHBondContact O-N 3.21Å; E611-L615 HydrophobicContact CG-CD1 3.7Å; E611-L615 HydrophobicContact CG-CG 3.94Å; E611-L615 WeakPolarHBondContact O-CB 3.39Å; E611-L615 VanDerWaalsContact O-CG 3.28Å; E611-L615 WeakPolarHBondContact O-CG 3.46Å; E611-L615 PolarHBondContact O-N 3.04Å
612T97.3Very high97Very high107 Ų10773.9 Ų73.966%0.65637%0.374SS*.Hα-helixtrans-62.9-48.6179.2-57.10000111.9H610 R614 K616H610-T612 PolarHBondContact O-N 2.96Å; T612-R614 VanDerWaalsContact C-N 3.32Å; T612-K616 WeakPolarHBondContact O-CB 3.29Å; T612-K616 PolarHBondContact O-N 3.47Å
613E97.6Very high96.9Very high83 Ų8375.8 Ų75.839%0.38838%0.384SS..Hα-helixtrans-63.8-40.5175.8-67.663.2-144.600110.6L583 F605 H610 K616 A617L583-E613 HydrophobicContact CD1-CB 3.79Å; F605-E613 HydrophobicContact CD2-CB 4.46Å; F605-E613 HydrophobicContact CD2-CG 4.34Å; H610-E613 HydrophobicContact CB-CB 4.42Å; H610-E613 PolarHBondContact O-N 2.98Å; E613-K616 PolarHBondContact O-N 2.91Å; E613-A617 WeakPolarHBondContact O-CB 3.31Å; E613-A617 PolarHBondContact O-N 3.24Å
614R97.9Very high96.9Very high21 Ų2179.9 Ų79.98%0.07939%0.39CS..Hα-helixtrans-63.6-48.2177.8-171.2-176-178.3-102.4-1.8112.3L583 F590 G593 F595 N606 H610 E611 T612 A617 I618L583-R614 HydrophobicContact CD2-CB 4.01Å; L583-R614 HydrophobicContact CD2-CG 4.18Å; F590-R614 HydrophobicContact CE2-CG 4.42Å; G593-R614 PolarHBondContact O-NH2 3.05Å; F595-R614 VanDerWaalsContact CE1-CD 3.46Å; F595-R614 VanDerWaalsContact CE1-NE 3.31Å; N606-R614 PolarHBondContact OD1-NE 3.33Å; H610-R614 VanDerWaalsContact O-CB 3.31Å; H610-R614 WeakPolarHBondContact O-CB 3.49Å; H610-R614 PolarHBondContact O-N 2.96Å; E611-R614 PolarHBondContact O-N 3.21Å; T612-R614 VanDerWaalsContact C-N 3.32Å; R614-A617 PolarHBondContact O-N 2.96Å; R614-I618 HydrophobicContact CG-CD1 4Å; R614-I618 WeakPolarHBondContact O-CB 3.45Å; R614-I618 VanDerWaalsContact O-CG1 3.27Å; R614-I618 WeakPolarHBondContact O-CG1 3.38Å; R614-I618 PolarHBondContact O-N 2.95Å
615L96.9Very high96.6Very high94 Ų9481.3 Ų81.349%0.49240%0.396SS..Hα-helixtrans-63.9-40.4176.5-72.5173.4000111.4E611 I618 K619E611-L615 HydrophobicContact CG-CD1 3.7Å; E611-L615 HydrophobicContact CG-CG 3.94Å; E611-L615 WeakPolarHBondContact O-CB 3.39Å; E611-L615 VanDerWaalsContact O-CG 3.28Å; E611-L615 WeakPolarHBondContact O-CG 3.46Å; E611-L615 PolarHBondContact O-N 3.04Å; L615-I618 PolarHBondContact O-N 3.1Å; L615-K619 WeakPolarHBondContact O-CB 3.47Å; L615-K619 PolarHBondContact O-N 3.33Å
616K97.9Very high96.3Very high152 Ų15283.4 Ų83.466%0.66142%0.415SS*.Hα-helixtrans-59.7-46173.1-173.2176.9-177.6177.30111.3T612 E613 K619 T620T612-K616 WeakPolarHBondContact O-CB 3.29Å; T612-K616 PolarHBondContact O-N 3.47Å; E613-K616 PolarHBondContact O-N 2.91Å; K616-K619 PolarHBondContact O-N 3.47Å; K616-T620 PolarHBondContact O-N 3.06Å; K616-T620 PolarHBondContact O-OG1 3.1Å
617A97.5Very high95.9Very high15 Ų1588.1 Ų88.112%0.12444%0.437CS..Hα-helixtrans-65-43.8176.900000112.8L583 F590 E613 R614 K619 T620 C621L583-A617 HydrophobicContact CB-CB 3.85Å; L583-A617 HydrophobicContact CD1-CB 4.39Å; L583-A617 HydrophobicContact CD2-CB 4.18Å; L583-A617 HydrophobicContact CG-CB 4.38Å; F590-A617 HydrophobicContact CE2-CB 4.24Å; F590-A617 HydrophobicContact CZ-CB 3.91Å; E613-A617 WeakPolarHBondContact O-CB 3.31Å; E613-A617 PolarHBondContact O-N 3.24Å; R614-A617 PolarHBondContact O-N 2.96Å; A617-K619 VanDerWaalsContact C-N 3.35Å; A617-K619 PolarHBondContact O-N 3.39Å; A617-T620 PolarHBondContact O-N 2.86Å; A617-C621 WeakPolarHBondContact O-CB 3.42Å; A617-C621 PolarHBondContact O-N 2.74Å; A617-C621 PolarHBondContact O-SG 3.08Å
618I96.9Very high95.6Very high36 Ų3687 Ų8719%0.18543%0.434CS..Hα-helixtrans-58.6-46.7175.1-71.9165.8000110.3F590 R614 L615 C621 L622 F629F590-I618 HydrophobicContact CE2-CG1 3.83Å; F590-I618 HydrophobicContact CZ-CG1 3.89Å; R614-I618 HydrophobicContact CG-CD1 4Å; R614-I618 WeakPolarHBondContact O-CB 3.45Å; R614-I618 VanDerWaalsContact O-CG1 3.27Å; R614-I618 WeakPolarHBondContact O-CG1 3.38Å; R614-I618 PolarHBondContact O-N 2.95Å; L615-I618 PolarHBondContact O-N 3.1Å; I618-C621 PolarHBondContact O-N 2.99Å; I618-L622 HydrophobicContact CG2-CD1 4.06Å; I618-L622 PolarHBondContact O-N 3.02Å; I618-F629 HydrophobicContact CB-CE2 4.35Å; I618-F629 HydrophobicContact CB-CZ 4.32Å; I618-F629 HydrophobicContact CG1-CE2 4.48Å; I618-F629 HydrophobicContact CG1-CZ 4.03Å; I618-F629 HydrophobicContact CG2-CD2 4.49Å; I618-F629 HydrophobicContact CG2-CE2 3.9Å; I618-F629 HydrophobicContact CG2-CZ 4.29Å
619K96.7Very high95.4Very high157 Ų15784 Ų8468%0.68342%0.415SS*.Hα-helixtrans-57.8-50175.6-174.9179.5178.7-178.80111.4L615 K616 A617 C621 L622 D623L615-K619 WeakPolarHBondContact O-CB 3.47Å; L615-K619 PolarHBondContact O-N 3.33Å; K616-K619 PolarHBondContact O-N 3.47Å; A617-K619 VanDerWaalsContact C-N 3.35Å; A617-K619 PolarHBondContact O-N 3.39Å; K619-C621 VanDerWaalsContact C-N 3.26Å; K619-C621 PolarHBondContact O-N 3.16Å; K619-L622 PolarHBondContact O-N 3.09Å; K619-D623 VanDerWaalsContact O-CB 3.27Å; K619-D623 WeakPolarHBondContact O-CB 3.48Å; K619-D623 PolarHBondContact O-N 2.75Å
620T96.9Very high95Very high57 Ų5782.6 Ų82.635%0.3541%0.407SS..Hα-helixtrans-64.2-27.7178-58.30000113.3K616 A617 R624K616-T620 PolarHBondContact O-N 3.06Å; K616-T620 PolarHBondContact O-OG1 3.1Å; A617-T620 PolarHBondContact O-N 2.86Å; T620-R624 WeakPolarHBondContact O-CD 3.34Å; T620-R624 WeakPolarHBondContact O-CG 3.47Å
621C95.9Very high94.4Very high21 Ų2185.1 Ų85.114%0.14243%0.428CS..Hα-helixtrans-75-41.1173.2-76.20000112.8A617 I618 K619 N625 A628 F629A617-C621 WeakPolarHBondContact O-CB 3.42Å; A617-C621 PolarHBondContact O-N 2.74Å; A617-C621 PolarHBondContact O-SG 3.08Å; I618-C621 PolarHBondContact O-N 2.99Å; K619-C621 VanDerWaalsContact C-N 3.26Å; K619-C621 PolarHBondContact O-N 3.16Å; C621-N625 PolarHBondContact O-N 3.32Å; C621-N625 VanDerWaalsContact O-N 3.12Å; C621-A628 HydrophobicContact CB-CB 4.42Å; C621-F629 HydrophobicContact CB-CE2 3.68Å; C621-F629 HydrophobicContact CB-CZ 3.68Å
622L95.1Very high93.7Very high72 Ų7286.1 Ų86.138%0.37743%0.431SS..Hα-helixtrans-68.5-39.6176.3-78.1169.7000112.8I618 K619 R624 N625 P626 F629I618-L622 HydrophobicContact CG2-CD1 4.06Å; I618-L622 PolarHBondContact O-N 3.02Å; K619-L622 PolarHBondContact O-N 3.09Å; L622-R624 VanDerWaalsContact C-N 3.29Å; L622-R624 PolarHBondContact O-N 3.27Å; L622-N625 WeakPolarHBondContact CA-O 3.31Å; L622-N625 CarbonylContact O-C 3.33Å; L622-N625 PolarHBondContact O-N 3.15Å; L622-N625 VanDerWaalsContact O-N 3.14Å; L622-P626 WeakPolarHBondContact O-CA 3.41Å; L622-P626 VanDerWaalsContact O-N 3.1Å; L622-F629 HydrophobicContact CD1-CD2 4.45Å; L622-F629 HydrophobicContact CD2-CD2 3.87Å; L622-F629 HydrophobicContact CD2-CE2 4.44Å; L622-F629 HydrophobicContact CG-CD2 3.86Å; L622-F629 HydrophobicContact CG-CE2 3.96Å
623D96.3Very high93Very high136 Ų13683.3 Ų83.373%0.72741%0.412SS*.Hα-helixtrans-57.7-41.2176.1-17774.1000112K619K619-D623 VanDerWaalsContact O-CB 3.27Å; K619-D623 WeakPolarHBondContact O-CB 3.48Å; K619-D623 PolarHBondContact O-N 2.75Å
624R95.3Very high91.8Very high204 Ų20480.5 Ų80.577%0.7741%0.406SS*.Hα-helixtrans-78.2-23.2176-67.5172178.8178.5-1.2114.2T620 L622T620-R624 WeakPolarHBondContact O-CD 3.34Å; T620-R624 WeakPolarHBondContact O-CG 3.47Å; L622-R624 VanDerWaalsContact C-N 3.29Å; L622-R624 PolarHBondContact O-N 3.27Å
625N91.3Very high90.1Very high54 Ų5487.9 Ų87.929%0.28944%0.438SS..  trans-161.8107.3177.3174.422.5000110.1C621 L622 E627 A628C621-N625 PolarHBondContact O-N 3.32Å; C621-N625 VanDerWaalsContact O-N 3.12Å; L622-N625 WeakPolarHBondContact CA-O 3.31Å; L622-N625 CarbonylContact O-C 3.33Å; L622-N625 PolarHBondContact O-N 3.15Å; L622-N625 VanDerWaalsContact O-N 3.14Å; N625-E627 PolarHBondContact O-N 3.49Å; N625-E627 PolarHBondContact OD1-N 2.93Å; N625-A628 HydrophobicContact CB-CB 4.25Å; N625-A628 WeakPolarHBondContact ND2-CA 3.24Å; N625-A628 PolarHBondContact ND2-N 2.92Å; N625-A628 WeakPolarHBondContact O-CB 3.47Å; N625-A628 PolarHBondContact O-N 2.86Å
626P92.5Very high88.1Confident97 Ų9785.2 Ų85.263%0.6343%0.434SS*.THydrogen-bonded Turntrans-67-7.6-17928-35.9000113.4L622L622-P626 WeakPolarHBondContact O-CA 3.41Å; L622-P626 VanDerWaalsContact O-N 3.1Å
627E89.2Confident86Confident99 Ų9986.5 Ų86.546%0.46344%0.439SS..THydrogen-bonded Turntrans-102.79.7173.5-50.3-145122.500113.4N625 F629 K630N625-E627 PolarHBondContact O-N 3.49Å; N625-E627 PolarHBondContact OD1-N 2.93Å; E627-F629 VanDerWaalsContact C-N 3.25Å; E627-F629 PolarHBondContact O-N 2.74Å; E627-F629 VanDerWaalsContact O-N 3.15Å; E627-K630 HydrophobicContact CB-CB 4.39Å; E627-K630 HydrophobicContact CB-CD 3.97Å; E627-K630 HydrophobicContact CB-CG 4.31Å; E627-K630 HydrophobicContact CG-CD 3.93Å; E627-K630 PolarHBondContact O-N 3.43Å; E627-K630 WeakPolarHBondContact OE1-CD 3.34Å; E627-K630 WeakPolarHBondContact OE1-CE 3.27Å; E627-K630 IonicContact OE1-NZ 2.66Å; E627-K630 PolarHBondContact OE1-NZ 2.78Å
628A90.9Very high83.5Confident15 Ų1595.7 Ų95.712%0.12448%0.479CS..THydrogen-bonded Turntrans-54.3-36.2-17400000114.8L585 C621 N625L585-A628 HydrophobicContact CD1-CB 4.21Å; C621-A628 HydrophobicContact CB-CB 4.42Å; N625-A628 HydrophobicContact CB-CB 4.25Å; N625-A628 WeakPolarHBondContact ND2-CA 3.24Å; N625-A628 PolarHBondContact ND2-N 2.92Å; N625-A628 WeakPolarHBondContact O-CB 3.47Å; N625-A628 PolarHBondContact O-N 2.86Å
629F91.5Very high81.6Confident54 Ų5497.9 Ų97.924%0.23751%0.511CS..THydrogen-bonded Turntrans-110.813.9-179.6-54.7-80.3000112.7L585 F590 I618 C621 L622 E627L585-F629 HydrophobicContact CD2-CD1 4.39Å; L585-F629 HydrophobicContact CD2-CE1 3.86Å; L585-F629 HydrophobicContact CD2-CZ 4.24Å; F590-F629 HydrophobicContact CD1-CE1 4.08Å; F590-F629 HydrophobicContact CD1-CZ 4.45Å; F590-F629 AromaticContact CE1-CE1 3.82Å; F590-F629 HydrophobicContact CE1-CE1 3.82Å; F590-F629 AromaticContact CE1-CZ 3.74Å; F590-F629 HydrophobicContact CE1-CZ 3.74Å; F590-F629 HydrophobicContact CZ-CE1 4.27Å; F590-F629 AromaticContact CZ-CZ 3.97Å; F590-F629 HydrophobicContact CZ-CZ 3.97Å; F590-F629 VanDerWaalsContact O-CE1 3.26Å; F590-F629 WeakPolarHBondContact O-CE1 3.44Å; I618-F629 HydrophobicContact CB-CE2 4.35Å; I618-F629 HydrophobicContact CB-CZ 4.32Å; I618-F629 HydrophobicContact CG1-CE2 4.48Å; I618-F629 HydrophobicContact CG1-CZ 4.03Å; I618-F629 HydrophobicContact CG2-CD2 4.49Å; I618-F629 HydrophobicContact CG2-CE2 3.9Å; I618-F629 HydrophobicContact CG2-CZ 4.29Å; C621-F629 HydrophobicContact CB-CE2 3.68Å; C621-F629 HydrophobicContact CB-CZ 3.68Å; L622-F629 HydrophobicContact CD1-CD2 4.45Å; L622-F629 HydrophobicContact CD2-CD2 3.87Å; L622-F629 HydrophobicContact CD2-CE2 4.44Å; L622-F629 HydrophobicContact CG-CD2 3.86Å; L622-F629 HydrophobicContact CG-CE2 3.96Å; E627-F629 VanDerWaalsContact C-N 3.25Å; E627-F629 PolarHBondContact O-N 2.74Å; E627-F629 VanDerWaalsContact O-N 3.15Å
630K86.9Confident79.5Confident112 Ų11296.7 Ų96.749%0.48751%0.508SS..SBendtrans-81.4147.8168.6-65.6-173.6-168.2178.70109.3E627 K632E627-K630 HydrophobicContact CB-CB 4.39Å; E627-K630 HydrophobicContact CB-CD 3.97Å; E627-K630 HydrophobicContact CB-CG 4.31Å; E627-K630 HydrophobicContact CG-CD 3.93Å; E627-K630 PolarHBondContact O-N 3.43Å; E627-K630 WeakPolarHBondContact OE1-CD 3.34Å; E627-K630 WeakPolarHBondContact OE1-CE 3.27Å; E627-K630 IonicContact OE1-NZ 2.66Å; E627-K630 PolarHBondContact OE1-NZ 2.78Å; K630-K632 PolarHBondContact O-N 3.17Å; K630-K632 VanDerWaalsContact O-N 3.14Å
631P85Confident77.5Confident107 Ų107100.1 Ų100.170%0.69553%0.534SS*.  trans-54.4120.5175.1-27.335.6000112.1I633P631-I633 PolarHBondContact O-N 2.92Å; P631-I633 VanDerWaalsContact O-N 3.14Å
632K83.2Confident76Confident115 Ų115100.8 Ų100.850%0.554%0.537SS..SBendtrans-60.1-23.9-177.2-65.2-175.3-178.5179.90114.4K630 H645 S646 E662K630-K632 PolarHBondContact O-N 3.17Å; K630-K632 VanDerWaalsContact O-N 3.14Å; K632-H645 PolarHBondContact O-CD2 3.43Å; K632-S646 PolarHBondContact O-N 3.27Å; K632-S646 PolarHBondContact O-OG 2.95Å; K632-E662 IonicContact NZ-OE1 3.24Å; K632-E662 PolarHBondContact NZ-OE1 3.07Å
633I82.1Confident75.3Confident48 Ų48103.4 Ų103.425%0.24654%0.541CS..BIsolated β-bridgetrans-99.7121.1178.2-48.6-63000107.7P631 K635 R643 H645 A666 I668P631-I633 PolarHBondContact O-N 2.92Å; P631-I633 VanDerWaalsContact O-N 3.14Å; I633-K635 PolarHBondContact O-N 2.95Å; I633-R643 HydrophobicContact CG2-CB 4.18Å; I633-H645 HydrophobicContact CD1-CB 4.41Å; I633-A666 HydrophobicContact CD1-CB 3.47Å; I633-A666 VanDerWaalsContact CD1-CB 3.47Å; I633-A666 HydrophobicContact CG1-CB 4.04Å; I633-I668 HydrophobicContact CD1-CD1 3.65Å; I633-I668 HydrophobicContact CD1-CG1 4.48Å
634G71.3Confident74.6Confident25 Ų25101.9 Ų101.926%0.25853%0.526SS..  trans-60.1135.3177.900000111.4G636 R644G634-G636 VanDerWaalsContact C-N 3.32Å; G634-G636 PolarHBondContact O-N 3.35Å; G634-R644 PolarHBondContact N-O 3.15Å
635K62Low74.1Confident175 Ų17592.4 Ų92.476%0.76149%0.49SS*.  trans-65.799.3157.5-70.1-173.3178.9-176.10106.4I633 K637I633-K635 PolarHBondContact O-N 2.95Å; K635-K637 PolarHBondContact O-N 2.97Å
636G56.5Low73.8Confident39 Ų3993.1 Ų93.140%0.40250%0.499SS..  trans-53.4137.3174.400000109.6G634G634-G636 VanDerWaalsContact C-N 3.32Å; G634-G636 PolarHBondContact O-N 3.35Å
637K52.7Low73.6Confident178 Ų17895.8 Ų95.877%0.77450%0.501SS*.  trans-67135.6173.1-71-177.7178.1179.30108.1K635 G639 E640K635-K637 PolarHBondContact O-N 2.97Å; K637-G639 PolarHBondContact O-N 2.96Å; K637-E640 PolarHBondContact O-N 3.46Å
638E45.8Very low73.8Confident208 Ų20891.1 Ų91.197%0.97248%0.479SS*.THydrogen-bonded Turntrans-57.2110.8176.6-170.5165.8-15600109.2
639G57.4Low74Confident83 Ų8390.5 Ų90.586%0.85647%0.474SS*.THydrogen-bonded Turntrans119.4-17.8-172.400000116.1K637K637-G639 PolarHBondContact O-N 2.96Å
640E51.4Low74.2Confident132 Ų13292.8 Ų92.862%0.61749%0.489SS*.  trans-119.3117174.3-162.6-179.3161.300111.6K637 D642K637-E640 PolarHBondContact O-N 3.46Å; E640-D642 VanDerWaalsContact C-N 3.34Å; E640-D642 PolarHBondContact O-N 3.14Å; E640-D642 VanDerWaalsContact O-N 3.12Å
641S54.5Low74.7Confident128 Ų12888.2 Ų88.290%0.89547%0.471SS*.  trans-71-11.6-153.3-43.50000117.6
642D65.1Low75.3Confident36 Ų3690.8 Ų90.819%0.19347%0.471CS..  trans-108.8114.8-166.9-166.23.5000113.6E640 R644E640-D642 VanDerWaalsContact C-N 3.34Å; E640-D642 PolarHBondContact O-N 3.14Å; E640-D642 VanDerWaalsContact O-N 3.12Å; D642-R644 HydrophobicContact CB-CG 3.9Å; D642-R644 PolarHBondContact O-N 3.36Å; D642-R644 WeakPolarHBondContact OD2-CG 3.2Å; D642-R644 IonicContact OD2-CZ 3.44Å; D642-R644 IonicContact OD2-NE 3.82Å; D642-R644 PolarHBondContact OD2-NE 2.81Å; D642-R644 IonicContact OD2-NH1 2.68Å; D642-R644 PolarHBondContact OD2-NH1 3.29Å; D642-R644 IonicContact OD2-NH2 3.48Å
643R79.7Confident75.9Confident126 Ų12697 Ų9748%0.47549%0.491SS..  trans-78.670.3174.5-66166.379.6160.20.4109.2N560 I633 I668N560-R643 PolarHBondContact O-NH1 2.95Å; I633-R643 HydrophobicContact CG2-CB 4.18Å; R643-I668 HydrophobicContact CB-CG2 4.2Å; R643-I668 WeakPolarHBondContact O-CD1 3.28Å; R643-I668 VanDerWaalsContact O-CG2 3.31Å; R643-I668 WeakPolarHBondContact O-CG2 3.38Å
644R82.8Confident76.5Confident105 Ų10595.4 Ų95.440%0.39648%0.484SS..  trans-70.4150.9-173-59.6179.9-158.5-93.115113.3G634 D642 S646G634-R644 PolarHBondContact N-O 3.15Å; D642-R644 HydrophobicContact CB-CG 3.9Å; D642-R644 PolarHBondContact O-N 3.36Å; D642-R644 WeakPolarHBondContact OD2-CG 3.2Å; D642-R644 IonicContact OD2-CZ 3.44Å; D642-R644 IonicContact OD2-NE 3.82Å; D642-R644 PolarHBondContact OD2-NE 2.81Å; D642-R644 IonicContact OD2-NH1 2.68Å; D642-R644 PolarHBondContact OD2-NH1 3.29Å; D642-R644 IonicContact OD2-NH2 3.48Å; R644-S646 PolarHBondContact O-N 3.29Å
645H83.4Confident77.7Confident4 Ų495 Ų952%0.01948%0.48CS..BIsolated β-bridgetrans-76.4113.2169.5-174.9-115.4000109.8K632 I633 K647 G648 E662 I668 I673K632-H645 PolarHBondContact O-CD2 3.43Å; I633-H645 HydrophobicContact CD1-CB 4.41Å; H645-K647 PolarHBondContact O-N 2.68Å; H645-G648 PolarHBondContact CE1-O 3.01Å; H645-G648 VanDerWaalsContact CE1-O 3.29Å; H645-G648 PolarHBondContact ND1-N 3.32Å; H645-G648 PolarHBondContact ND1-O 2.87Å; H645-G648 PolarHBondContact O-N 3.44Å; H645-E662 IonicContact CE1-OE2 3.93Å; H645-E662 PolarHBondContact CE1-OE2 3.15Å; H645-E662 VanDerWaalsContact CE1-OE2 3.27Å; H645-E662 IonicContact NE2-OE1 2.83Å; H645-E662 IonicContact NE2-OE2 2.63Å; H645-I668 HydrophobicContact CB-CD1 3.9Å; H645-I673 WeakPolarHBondContact O-CD1 3.27Å
646S86.3Confident79.4Confident69 Ų6986.7 Ų86.748%0.48344%0.444SS..THydrogen-bonded Turntrans-57.8-25.3-165.9-51.40000114.9K632 R644K632-S646 PolarHBondContact O-N 3.27Å; K632-S646 PolarHBondContact O-OG 2.95Å; R644-S646 PolarHBondContact O-N 3.29Å
647K88.5Confident81.3Confident154 Ų15485.8 Ų85.867%0.6743%0.43SS*.THydrogen-bonded Turntrans-100.9-10.7-179.8-171.9165.5-178.8171.30114.3H645H645-K647 PolarHBondContact O-N 2.68Å
648G92.1Very high83.3Confident1 Ų183.1 Ų83.11%0.0142%0.418CS..  trans63.4175.6-164.100000113.1H645 C674H645-G648 PolarHBondContact CE1-O 3.01Å; H645-G648 VanDerWaalsContact CE1-O 3.29Å; H645-G648 PolarHBondContact ND1-N 3.32Å; H645-G648 PolarHBondContact ND1-O 2.87Å; H645-G648 PolarHBondContact O-N 3.44Å; G648-C674 VanDerWaalsContact CA-SG 3.53Å
649C95.4Very high85.6Confident2 Ų277.8 Ų77.81%0.01440%0.397CS..  trans-113.5164.217675.50000111.6C674 K675C649-C674 PolarHBondContact N-SG 3.47Å; C649-C674 CarbonylContact O-C 3.54Å; C649-C674 WeakPolarHBondContact O-CA 3.47Å; C649-K675 PolarHBondContact O-N 3.02Å
650N96.6Very high87.4Confident101 Ų10183.3 Ų83.354%0.5439%0.393SS..  trans-122.732.7-175.3-62.4-88.1000112.3
651C97.8Very high89.5Confident16 Ų1677 Ų7711%0.10836%0.364CS..  trans-69.4133.9-170.6-62.70000113.1S654 C661 C676 I677C651-S654 WeakPolarHBondContact CB-OG 3.46Å; C651-C661 VanDerWaalsContact SG-CB 3.53Å; C651-C661 VanDerWaalsContact SG-SG 3.63Å; C651-C676 HydrophobicContact CB-CB 4.3Å; C651-C676 CarbonylContact O-C 3.53Å; C651-C676 VanDerWaalsContact O-CA 3.28Å; C651-C676 WeakPolarHBondContact O-CA 3.34Å; C651-I677 PolarHBondContact O-N 2.91Å
652K96.5Very high91.4Very high161 Ų16174.1 Ų74.170%0.734%0.336SS*.SBendtrans-111.3-23.6178.4-60.7-171.4179-177.30115.8I677K652-I677 HydrophobicContact CD-CD1 4.35Å; K652-I677 HydrophobicContact CG-CD1 4.08Å
653R96.6Very high92.8Very high245 Ų24572.4 Ų72.493%0.92533%0.327SS*.SBendtrans-131-11.3-171.8-63.5-168-64.3-140.62.7115.7G655R653-G655 VanDerWaalsContact C-N 3.33Å
654S95.3Very high93.5Very high15 Ų1568.8 Ų68.811%0.10531%0.314CS..SBendtrans-83-7.3-176.654.90000114.1C651 C656 L657C651-S654 WeakPolarHBondContact CB-OG 3.46Å; S654-C656 PolarHBondContact O-N 3Å; S654-C656 PolarHBondContact OG-N 2.89Å; S654-L657 PolarHBondContact O-N 3.13Å
655G96.1Very high94Very high17 Ų1769.4 Ų69.418%0.17532%0.321CS..THydrogen-bonded Turntrans58.39.7-164.500000113.6R653 L657 G678 K680R653-G655 VanDerWaalsContact C-N 3.33Å; G655-L657 PolarHBondContact O-N 3.36Å; G655-G678 WeakPolarHBondContact CA-O 3.2Å; G655-K680 WeakPolarHBondContact O-CA 3.31Å; G655-K680 WeakPolarHBondContact O-CB 3.31Å; G655-K680 PolarHBondContact O-N 2.89Å
656C97.6Very high94.4Very high0 Ų071.3 Ų71.30%034%0.337CS..THydrogen-bonded Turntrans55.415.3-162.3-55.90000115.6S654 C661 Y664 C676 N681S654-C656 PolarHBondContact O-N 3Å; S654-C656 PolarHBondContact OG-N 2.89Å; C656-C661 HydrophobicContact CB-CB 4.29Å; C656-Y664 WeakPolarHBondContact O-CB 3.28Å; C656-Y664 WeakPolarHBondContact O-CD2 3.37Å; C656-C676 VanDerWaalsContact SG-CB 3.5Å; C656-N681 HydrophobicContact CB-CB 3.44Å; C656-N681 VanDerWaalsContact CB-CB 3.44Å; C656-N681 VanDerWaalsContact O-CB 3.32Å; C656-N681 WeakPolarHBondContact O-CB 3.45Å
657L95.2Very high94.7Very high20 Ų2074.3 Ų74.311%0.10534%0.342CS..  trans-109.732177.6-67179.1000112.7S654 G655 Y664 K680 N681 E687 R688 L691S654-L657 PolarHBondContact O-N 3.13Å; G655-L657 PolarHBondContact O-N 3.36Å; L657-Y664 HydrophobicContact CB-CE2 4.33Å; L657-Y664 HydrophobicContact CD2-CD2 3.86Å; L657-Y664 HydrophobicContact CD2-CE2 3.67Å; L657-K680 HydrophobicContact CD1-CB 3.49Å; L657-K680 VanDerWaalsContact CD1-CB 3.49Å; L657-K680 HydrophobicContact CD1-CD 4.41Å; L657-K680 WeakPolarHBondContact CD2-O 3.14Å; L657-K680 HydrophobicContact CG-CB 3.9Å; L657-N681 HydrophobicContact CD2-CB 4.17Å; L657-E687 HydrophobicContact CD1-CB 3.64Å; L657-R688 HydrophobicContact CD2-CB 3.94Å; L657-R688 HydrophobicContact CD2-CG 4.21Å; L657-L691 HydrophobicContact CB-CD1 4Å; L657-L691 HydrophobicContact CD1-CD1 4.14Å; L657-L691 HydrophobicContact CG-CD1 4.46Å
658K95Very high94.9Very high122 Ų12267.9 Ų67.953%0.5332%0.315SS..SBendtrans-143152.6176.1-58.4-171.9-179.7-170.70108.6Y660 C661 Y664K658-Y660 HydrophobicContact CB-CD2 3.75Å; K658-Y660 HydrophobicContact CB-CE2 4.29Å; K658-Y660 HydrophobicContact CD-CD2 4.21Å; K658-Y660 HydrophobicContact CD-CE2 4.15Å; K658-Y660 PolarHBondContact O-N 2.98Å; K658-C661 WeakPolarHBondContact O-CB 3.31Å; K658-C661 PolarHBondContact O-N 3.19Å; K658-Y664 VanDerWaalsContact C-CD1 3.5Å
659N94.9Very high94.9Very high97 Ų9769.5 Ų69.552%0.51932%0.322SS..THydrogen-bonded Turntrans-61.7-10-177.2-62.2-32.3000114.4C661N659-C661 PolarHBondContact O-N 3.35Å
660Y94.5Very high94.9Very high198 Ų19870.4 Ų70.478%0.77633%0.328SS*.THydrogen-bonded Turntrans-62.71.5163.8-47.1-65000114.7K658K658-Y660 HydrophobicContact CB-CD2 3.75Å; K658-Y660 HydrophobicContact CB-CE2 4.29Å; K658-Y660 HydrophobicContact CD-CD2 4.21Å; K658-Y660 HydrophobicContact CD-CE2 4.15Å; K658-Y660 PolarHBondContact O-N 2.98Å
661C96.4Very high94.7Very high0 Ų066.1 Ų66.10%031%0.306CS..SBendtrans-118.1114.5175.7-179.70000109.1C651 C656 K658 N659 C663 Y664 E665C651-C661 VanDerWaalsContact SG-CB 3.53Å; C651-C661 VanDerWaalsContact SG-SG 3.63Å; C656-C661 HydrophobicContact CB-CB 4.29Å; K658-C661 WeakPolarHBondContact O-CB 3.31Å; K658-C661 PolarHBondContact O-N 3.19Å; N659-C661 PolarHBondContact O-N 3.35Å; C661-C663 PolarHBondContact O-N 2.89Å; C661-C663 VanDerWaalsContact O-N 3.1Å; C661-Y664 PolarHBondContact O-N 3.36Å; C661-E665 PolarHBondContact O-N 3.43Å
662E92.9Very high94.5Very high68 Ų6871.4 Ų71.432%0.31834%0.344SS..Hα-helixtrans-51.9-36-179.2-62.3176.111200112.4K632 H645 A666K632-E662 IonicContact NZ-OE1 3.24Å; K632-E662 PolarHBondContact NZ-OE1 3.07Å; H645-E662 IonicContact CE1-OE2 3.93Å; H645-E662 PolarHBondContact CE1-OE2 3.15Å; H645-E662 VanDerWaalsContact CE1-OE2 3.27Å; H645-E662 IonicContact NE2-OE1 2.83Å; H645-E662 IonicContact NE2-OE2 2.63Å; E662-A666 VanDerWaalsContact O-CB 3.24Å; E662-A666 WeakPolarHBondContact O-CB 3.5Å; E662-A666 PolarHBondContact O-N 3.43Å
663C94.8Very high94.3Very high0 Ų067.6 Ų67.60%033%0.33CS..Hα-helixtrans-65.4-46.5176.3-52.80000112.3C661 A666 K667 I668C661-C663 PolarHBondContact O-N 2.89Å; C661-C663 VanDerWaalsContact O-N 3.1Å; C663-A666 CarbonylContact O-C 3.51Å; C663-A666 PolarHBondContact O-N 3.42Å; C663-K667 PolarHBondContact O-N 3.06Å; C663-K667 VanDerWaalsContact O-N 3.13Å; C663-I668 CarbonylContact C-O 3.49Å; C663-I668 HydrophobicContact CB-CD1 4.5Å; C663-I668 HydrophobicContact CB-CG1 4.12Å; C663-I668 WeakPolarHBondContact O-CG1 3.48Å; C663-I668 PolarHBondContact O-N 3.25Å; C663-I668 VanDerWaalsContact O-O 3.08Å
664Y95Very high94.3Very high49 Ų4956.7 Ų56.719%0.19229%0.291CS..Hα-helixtrans-73.7-37-178.3-175.9-93.2000112.5C656 L657 K658 C661 A666 K667C656-Y664 WeakPolarHBondContact O-CB 3.28Å; C656-Y664 WeakPolarHBondContact O-CD2 3.37Å; L657-Y664 HydrophobicContact CB-CE2 4.33Å; L657-Y664 HydrophobicContact CD2-CD2 3.86Å; L657-Y664 HydrophobicContact CD2-CE2 3.67Å; K658-Y664 VanDerWaalsContact C-CD1 3.5Å; C661-Y664 PolarHBondContact O-N 3.36Å; Y664-A666 VanDerWaalsContact C-N 3.35Å; Y664-K667 PolarHBondContact O-N 3.3Å; Y664-K667 PolarHBondContact O-NZ 2.98Å
665E93.4Very high94.3Very high118 Ų11863.6 Ų63.655%0.55132%0.319SS*.Hα-helixtrans-56.3-51170.4-179.3169.7-135.200110.3C661 K667C661-E665 PolarHBondContact O-N 3.43Å; E665-K667 PolarHBondContact O-N 3.1Å; E665-K667 VanDerWaalsContact O-N 3.12Å; E665-K667 PolarHBondContact O-NZ 3.09Å
666A91.4Very high94.4Very high44 Ų4464.1 Ų64.136%0.36432%0.32SS..THydrogen-bonded Turntrans-72.65.7174.700000115.2I633 E662 C663 Y664 I668I633-A666 HydrophobicContact CD1-CB 3.47Å; I633-A666 VanDerWaalsContact CD1-CB 3.47Å; I633-A666 HydrophobicContact CG1-CB 4.04Å; E662-A666 VanDerWaalsContact O-CB 3.24Å; E662-A666 WeakPolarHBondContact O-CB 3.5Å; E662-A666 PolarHBondContact O-N 3.43Å; C663-A666 CarbonylContact O-C 3.51Å; C663-A666 PolarHBondContact O-N 3.42Å; Y664-A666 VanDerWaalsContact C-N 3.35Å; A666-I668 HydrophobicContact CB-CG1 4.21Å; A666-I668 PolarHBondContact O-N 3.44Å
667K92.2Very high94.4Very high132 Ų13269.2 Ų69.257%0.57435%0.346SS*.THydrogen-bonded Turntrans61.820.4177.1-56.3-69.5159.8-70.30115.8C663 Y664 E665C663-K667 PolarHBondContact O-N 3.06Å; C663-K667 VanDerWaalsContact O-N 3.13Å; Y664-K667 PolarHBondContact O-N 3.3Å; Y664-K667 PolarHBondContact O-NZ 2.98Å; E665-K667 PolarHBondContact O-N 3.1Å; E665-K667 VanDerWaalsContact O-N 3.12Å; E665-K667 PolarHBondContact O-NZ 3.09Å
668I92.7Very high94.4Very high20 Ų2071 Ų7110%0.10337%0.369CS..  trans-104.5170.5177.159.6164.6000111I633 R643 H645 C663 A666 N681 R688I633-I668 HydrophobicContact CD1-CD1 3.65Å; I633-I668 HydrophobicContact CD1-CG1 4.48Å; R643-I668 HydrophobicContact CB-CG2 4.2Å; R643-I668 WeakPolarHBondContact O-CD1 3.28Å; R643-I668 VanDerWaalsContact O-CG2 3.31Å; R643-I668 WeakPolarHBondContact O-CG2 3.38Å; H645-I668 HydrophobicContact CB-CD1 3.9Å; C663-I668 CarbonylContact C-O 3.49Å; C663-I668 HydrophobicContact CB-CD1 4.5Å; C663-I668 HydrophobicContact CB-CG1 4.12Å; C663-I668 WeakPolarHBondContact O-CG1 3.48Å; C663-I668 PolarHBondContact O-N 3.25Å; C663-I668 VanDerWaalsContact O-O 3.08Å; A666-I668 HydrophobicContact CB-CG1 4.21Å; A666-I668 PolarHBondContact O-N 3.44Å; I668-N681 PolarHBondContact O-ND2 3.26Å; I668-R688 PolarHBondContact O-NH1 2.99Å
669M92.8Very high94.5Very high35 Ų3566.9 Ų66.917%0.17236%0.355CS..  trans-84.6161.1176.9-70.1172.9-79.600111.6E683M669-E683 WeakPolarHBondContact CE-OE2 3.4Å; M669-E683 VanDerWaalsContact SD-CA 3.57Å; M669-E683 HydrophobicContact SD-CB 3.63Å; M669-E683 HydrophobicContact SD-CG 4.33Å; M669-E683 PolarHBondContact SD-N 2.95Å; M669-E683 VanDerWaalsContact SD-N 3.41Å
670C95.1Very high94.6Very high20 Ų2066.4 Ų66.414%0.13535%0.348CS..  trans-76.9130164.9-69.50000109.1C674 N681C670-C674 HydrophobicContact CB-CB 4.02Å; C670-N681 PolarHBondContact N-ND2 3.02Å; C670-N681 PolarHBondContact N-O 3.47Å
671S92.9Very high94.6Very high12 Ų1257 Ų578%0.08431%0.311CS..  trans-99.7175.2175.751.40000110.9I673 C674S671-I673 PolarHBondContact O-N 3.42Å; S671-I673 VanDerWaalsContact OG-CG1 3.28Å; S671-I673 WeakPolarHBondContact OG-CG1 3.4Å; S671-C674 VanDerWaalsContact O-CB 3.31Å; S671-C674 WeakPolarHBondContact O-CB 3.24Å; S671-C674 PolarHBondContact O-N 3.04Å
672S92.6Very high94.4Very high127 Ų12761 Ų6189%0.88833%0.329SS*.THydrogen-bonded Turntrans-58.4-18.1-178.5500000115.2
673I93.3Very high94.2Very high80 Ų8062.5 Ų62.541%0.4134%0.336SS..THydrogen-bonded Turntrans-81.7-9.4174.153.2172.6000113.7H645 S671H645-I673 WeakPolarHBondContact O-CD1 3.27Å; S671-I673 PolarHBondContact O-N 3.42Å; S671-I673 VanDerWaalsContact OG-CG1 3.28Å; S671-I673 WeakPolarHBondContact OG-CG1 3.4Å
674C95.9Very high93.9Very high16 Ų1668.6 Ų68.611%0.10837%0.365CS..  trans-76.3121.5173.6-63.50000111.3G648 C649 C670 S671 C676G648-C674 VanDerWaalsContact CA-SG 3.53Å; C649-C674 PolarHBondContact N-SG 3.47Å; C649-C674 CarbonylContact O-C 3.54Å; C649-C674 WeakPolarHBondContact O-CA 3.47Å; C670-C674 HydrophobicContact CB-CB 4.02Å; S671-C674 VanDerWaalsContact O-CB 3.31Å; S671-C674 WeakPolarHBondContact O-CB 3.24Å; S671-C674 PolarHBondContact O-N 3.04Å; C674-C676 VanDerWaalsContact CB-SG 3.53Å; C674-C676 PolarHBondContact O-N 3.1Å; C674-C676 VanDerWaalsContact O-N 3.15Å
675K96.6Very high93.7Very high161 Ų16166.3 Ų66.370%0.736%0.356SS*.  trans-89.244.9175.1-56.7-177.2-178.4-176.80111.2C649C649-K675 PolarHBondContact O-N 3.02Å
676C97.3Very high93.6Very high27 Ų2764.7 Ų64.718%0.18236%0.356CS..  trans-89.9134.2-175.548.50000112.4C651 C656 C674 C679C651-C676 HydrophobicContact CB-CB 4.3Å; C651-C676 CarbonylContact O-C 3.53Å; C651-C676 VanDerWaalsContact O-CA 3.28Å; C651-C676 WeakPolarHBondContact O-CA 3.34Å; C656-C676 VanDerWaalsContact SG-CB 3.5Å; C674-C676 VanDerWaalsContact CB-SG 3.53Å; C674-C676 PolarHBondContact O-N 3.1Å; C674-C676 VanDerWaalsContact O-N 3.15Å; C676-C679 HydrophobicContact CB-CB 4.31Å; C676-C679 VanDerWaalsContact SG-CB 3.55Å; C676-C679 VanDerWaalsContact SG-SG 3.68Å
677I96.8Very high93.6Very high108 Ų10866 Ų6655%0.55435%0.354SS*.THydrogen-bonded Turntrans-94.3133.4177.9-52.6178.9000108.8C651 K652 C679C651-I677 PolarHBondContact O-N 2.91Å; K652-I677 HydrophobicContact CD-CD1 4.35Å; K652-I677 HydrophobicContact CG-CD1 4.08Å; I677-C679 PolarHBondContact O-N 3.45Å
678G95.5Very high93.5Very high57 Ų5761.8 Ų61.859%0.58834%0.335SS*.THydrogen-bonded Turntrans62.939.6179.700000113.3G655 K680G655-G678 WeakPolarHBondContact CA-O 3.2Å; G678-K680 PolarHBondContact O-N 3.13Å
679C97.2Very high93.3Very high36 Ų3665.2 Ų65.224%0.24335%0.349CS..  trans-67.2129.1-177-169.10000112.3C676 I677 N681 F682C676-C679 HydrophobicContact CB-CB 4.31Å; C676-C679 VanDerWaalsContact SG-CB 3.55Å; C676-C679 VanDerWaalsContact SG-SG 3.68Å; I677-C679 PolarHBondContact O-N 3.45Å; C679-N681 PolarHBondContact SG-N 3.49Å; C679-N681 VanDerWaalsContact SG-N 3.43Å; C679-F682 WeakPolarHBondContact O-CE1 3.28Å
680K96.3Very high93.2Very high86 Ų8667.3 Ų67.337%0.37436%0.364SS..  trans-116.812.5172.6-57.2-175.7170.8-1500112.1G655 L657 G678 S685 E687G655-K680 WeakPolarHBondContact O-CA 3.31Å; G655-K680 WeakPolarHBondContact O-CB 3.31Å; G655-K680 PolarHBondContact O-N 2.89Å; L657-K680 HydrophobicContact CD1-CB 3.49Å; L657-K680 VanDerWaalsContact CD1-CB 3.49Å; L657-K680 HydrophobicContact CD1-CD 4.41Å; L657-K680 WeakPolarHBondContact CD2-O 3.14Å; L657-K680 HydrophobicContact CG-CB 3.9Å; G678-K680 PolarHBondContact O-N 3.13Å; K680-S685 WeakPolarHBondContact O-CB 3.17Å; K680-S685 PolarHBondContact O-OG 2.66Å; K680-E687 HydrophobicContact CD-CG 4.23Å; K680-E687 WeakPolarHBondContact CD-OE1 3.24Å; K680-E687 VanDerWaalsContact CE-OE1 3.27Å; K680-E687 WeakPolarHBondContact CE-OE1 3.45Å; K680-E687 IonicContact NZ-OE1 2.63Å; K680-E687 PolarHBondContact NZ-OE1 2.82Å
681N95.5Very high92.9Very high0 Ų069.8 Ų69.80%038%0.375CS..  trans-104.361.9-177.6-170.143.1000111.6C656 L657 I668 C670 C679 R688C656-N681 HydrophobicContact CB-CB 3.44Å; C656-N681 VanDerWaalsContact CB-CB 3.44Å; C656-N681 VanDerWaalsContact O-CB 3.32Å; C656-N681 WeakPolarHBondContact O-CB 3.45Å; L657-N681 HydrophobicContact CD2-CB 4.17Å; I668-N681 PolarHBondContact O-ND2 3.26Å; C670-N681 PolarHBondContact N-ND2 3.02Å; C670-N681 PolarHBondContact N-O 3.47Å; C679-N681 PolarHBondContact SG-N 3.49Å; C679-N681 VanDerWaalsContact SG-N 3.43Å; N681-R688 PolarHBondContact OD1-NH1 3.43Å
682F92.9Very high92.7Very high84 Ų8474.2 Ų74.237%0.36840%0.396SS..SBendtrans-132.2162.5177.660.2-90.8000109.9C679 E684 S685 R688C679-F682 WeakPolarHBondContact O-CE1 3.28Å; F682-E684 VanDerWaalsContact C-N 3.32Å; F682-E684 HydrophobicContact CD2-CB 4.1Å; F682-E684 HydrophobicContact CE2-CB 3.97Å; F682-E684 PolarHBondContact O-N 2.9Å; F682-S685 VanDerWaalsContact CE2-N 3.27Å; F682-S685 PolarHBondContact O-N 3.05Å; F682-S685 VanDerWaalsContact O-N 3.16Å; F682-R688 WeakPolarHBondContact O-CD 3.32Å
683E88.4Confident92.5Very high101 Ų10173.8 Ų73.847%0.47238%0.38SS..THydrogen-bonded Turntrans-56.1-42.3-169.4-169.264.1-95.400112.8M669 S685 K689M669-E683 WeakPolarHBondContact CE-OE2 3.4Å; M669-E683 VanDerWaalsContact SD-CA 3.57Å; M669-E683 HydrophobicContact SD-CB 3.63Å; M669-E683 HydrophobicContact SD-CG 4.33Å; M669-E683 PolarHBondContact SD-N 2.95Å; M669-E683 VanDerWaalsContact SD-N 3.41Å; E683-S685 PolarHBondContact O-N 2.79Å; E683-K689 WeakPolarHBondContact O-CE 3.22Å; E683-K689 PolarHBondContact O-NZ 3.15Å
684E87.8Confident92.4Very high128 Ų12875.3 Ų75.360%0.59839%0.388SS*.THydrogen-bonded Turntrans-83.7-5.2-176.4-61.472.1-15600114.7F682 P686F682-E684 VanDerWaalsContact C-N 3.32Å; F682-E684 HydrophobicContact CD2-CB 4.1Å; F682-E684 HydrophobicContact CE2-CB 3.97Å; F682-E684 PolarHBondContact O-N 2.9Å; E684-P686 WeakPolarHBondContact O-CD 3.45Å
685S91.7Very high92.1Very high0 Ų077.2 Ų77.20%041%0.405CS..  trans-60.6122.7-173.61650000111.9K680 F682 E683 E687 R688 K689K680-S685 WeakPolarHBondContact O-CB 3.17Å; K680-S685 PolarHBondContact O-OG 2.66Å; F682-S685 VanDerWaalsContact CE2-N 3.27Å; F682-S685 PolarHBondContact O-N 3.05Å; F682-S685 VanDerWaalsContact O-N 3.16Å; E683-S685 PolarHBondContact O-N 2.79Å; S685-E687 VanDerWaalsContact C-N 3.28Å; S685-E687 PolarHBondContact O-N 2.85Å; S685-E687 PolarHBondContact OG-N 3.47Å; S685-E687 PolarHBondContact OG-OE2 3.02Å; S685-R688 PolarHBondContact O-N 2.98Å; S685-R688 PolarHBondContact OG-N 3.01Å; S685-K689 WeakPolarHBondContact O-CG 3.16Å; S685-K689 PolarHBondContact O-N 3.01Å; S685-K689 VanDerWaalsContact O-N 3.1Å
686P91.2Very high91.9Very high85 Ų8572.9 Ų72.955%0.55239%0.389SS*.Hα-helixtrans-58.3-41.2172.5-24.735.1000111.9E684 K689 T690E684-P686 WeakPolarHBondContact O-CD 3.45Å; P686-K689 PolarHBondContact O-N 2.96Å; P686-T690 PolarHBondContact O-N 2.96Å; P686-T690 PolarHBondContact O-OG1 3.04Å; P686-T690 VanDerWaalsContact O-OG1 3.11Å
687E90.5Very high91.6Very high71 Ų7174 Ų7433%0.33240%0.401SS..Hα-helixtrans-68.6-36.9-178-51.29614200112.4L657 K680 S685 L691L657-E687 HydrophobicContact CD1-CB 3.64Å; K680-E687 HydrophobicContact CD-CG 4.23Å; K680-E687 WeakPolarHBondContact CD-OE1 3.24Å; K680-E687 VanDerWaalsContact CE-OE1 3.27Å; K680-E687 WeakPolarHBondContact CE-OE1 3.45Å; K680-E687 IonicContact NZ-OE1 2.63Å; K680-E687 PolarHBondContact NZ-OE1 2.82Å; S685-E687 VanDerWaalsContact C-N 3.28Å; S685-E687 PolarHBondContact O-N 2.85Å; S685-E687 PolarHBondContact OG-N 3.47Å; S685-E687 PolarHBondContact OG-OE2 3.02Å; E687-L691 WeakPolarHBondContact O-CB 3.47Å; E687-L691 WeakPolarHBondContact O-CG 3.33Å; E687-L691 PolarHBondContact O-N 2.83Å
688R90Very high91.5Very high44 Ų4470.8 Ų70.817%0.16639%0.39CS..Hα-helixtrans-62.3-45.1171.1-176176156108.70.8110.9L657 I668 N681 F682 S685 L691 M692L657-R688 HydrophobicContact CD2-CB 3.94Å; L657-R688 HydrophobicContact CD2-CG 4.21Å; I668-R688 PolarHBondContact O-NH1 2.99Å; N681-R688 PolarHBondContact OD1-NH1 3.43Å; F682-R688 WeakPolarHBondContact O-CD 3.32Å; S685-R688 PolarHBondContact O-N 2.98Å; S685-R688 PolarHBondContact OG-N 3.01Å; R688-L691 PolarHBondContact O-N 2.95Å; R688-M692 WeakPolarHBondContact O-CB 3.48Å; R688-M692 PolarHBondContact O-N 2.95Å
689K89Confident91.3Very high92 Ų9274.7 Ų74.740%0.439%0.393SS..Hα-helixtrans-65.5-43.3-179.9-69.9177.5-173.7-1790112.2E683 S685 P686 L691 M692 H693E683-K689 WeakPolarHBondContact O-CE 3.22Å; E683-K689 PolarHBondContact O-NZ 3.15Å; S685-K689 WeakPolarHBondContact O-CG 3.16Å; S685-K689 PolarHBondContact O-N 3.01Å; S685-K689 VanDerWaalsContact O-N 3.1Å; P686-K689 PolarHBondContact O-N 2.96Å; K689-L691 PolarHBondContact O-N 3.39Å; K689-M692 PolarHBondContact O-N 3.44Å; K689-H693 VanDerWaalsContact O-CG 3.28Å; K689-H693 PolarHBondContact O-N 3.47Å
690T91.2Very high91.1Very high79 Ų7977.3 Ų77.349%0.48541%0.408SS..Hα-helixtrans-60-45.6173.5-59.40000111.7P686 M692 L694P686-T690 PolarHBondContact O-N 2.96Å; P686-T690 PolarHBondContact O-OG1 3.04Å; P686-T690 VanDerWaalsContact O-OG1 3.11Å; T690-M692 VanDerWaalsContact C-N 3.35Å; T690-M692 PolarHBondContact O-N 2.97Å; T690-L694 HydrophobicContact CG2-CD1 4.23Å; T690-L694 WeakPolarHBondContact O-CB 3.5Å; T690-L694 WeakPolarHBondContact O-CD1 3.34Å; T690-L694 PolarHBondContact O-N 3.48Å
691L89.1Confident90.9Very high72 Ų7281 Ų8138%0.37742%0.419SS..Hα-helixtrans-64.8-36.8177.4-73.9172.6000113L657 E687 R688 K689 A695L657-L691 HydrophobicContact CB-CD1 4Å; L657-L691 HydrophobicContact CD1-CD1 4.14Å; L657-L691 HydrophobicContact CG-CD1 4.46Å; E687-L691 WeakPolarHBondContact O-CB 3.47Å; E687-L691 WeakPolarHBondContact O-CG 3.33Å; E687-L691 PolarHBondContact O-N 2.83Å; R688-L691 PolarHBondContact O-N 2.95Å; K689-L691 PolarHBondContact O-N 3.39Å; L691-A695 PolarHBondContact O-N 2.75Å; L691-A695 VanDerWaalsContact O-N 3.08Å
692M87.6Confident90.8Very high105 Ų10585.1 Ų85.152%0.51744%0.444SS..Hα-helixtrans-64.8-53.3175.4-178.8168.416500111.1R688 K689 T690 L694 A695 D696R688-M692 WeakPolarHBondContact O-CB 3.48Å; R688-M692 PolarHBondContact O-N 2.95Å; K689-M692 PolarHBondContact O-N 3.44Å; T690-M692 VanDerWaalsContact C-N 3.35Å; T690-M692 PolarHBondContact O-N 2.97Å; M692-L694 PolarHBondContact O-N 3.15Å; M692-A695 WeakPolarHBondContact O-CA 3.38Å; M692-A695 WeakPolarHBondContact O-CB 3.32Å; M692-A695 PolarHBondContact O-N 2.97Å; M692-D696 PolarHBondContact O-N 2.87Å
693H89.6Confident90.8Very high118 Ų11887.7 Ų87.755%0.54646%0.457SS..Hα-helixtrans-59.8-32.5177.8-61.7168000113.1K689 A697K689-H693 VanDerWaalsContact O-CG 3.28Å; K689-H693 PolarHBondContact O-N 3.47Å; H693-A697 WeakPolarHBondContact O-CB 3.44Å; H693-A697 PolarHBondContact O-N 3.01Å
694L90.9Very high90.9Very high112 Ų11289.4 Ų89.459%0.58647%0.465SS*.Hα-helixtrans-68.6-35.5173.1-10162.9000112.6T690 M692 A698T690-L694 HydrophobicContact CG2-CD1 4.23Å; T690-L694 WeakPolarHBondContact O-CB 3.5Å; T690-L694 WeakPolarHBondContact O-CD1 3.34Å; T690-L694 PolarHBondContact O-N 3.48Å; M692-L694 PolarHBondContact O-N 3.15Å; L694-A698 WeakPolarHBondContact O-CB 3.38Å; L694-A698 PolarHBondContact O-N 3.14Å
695A89.5Confident91Very high56 Ų5689.7 Ų89.746%0.46347%0.466SS..Hα-helixtrans-69.4-47.4173.700000111L691 M692 A697 A698 E699L691-A695 PolarHBondContact O-N 2.75Å; L691-A695 VanDerWaalsContact O-N 3.08Å; M692-A695 WeakPolarHBondContact O-CA 3.38Å; M692-A695 WeakPolarHBondContact O-CB 3.32Å; M692-A695 PolarHBondContact O-N 2.97Å; A695-A697 VanDerWaalsContact C-N 3.33Å; A695-A697 PolarHBondContact O-N 3.18Å; A695-A698 WeakPolarHBondContact O-CA 3.5Å; A695-A698 WeakPolarHBondContact O-CB 3.11Å; A695-A698 PolarHBondContact O-N 3.49Å; A695-E699 PolarHBondContact O-N 3.43Å
696D91.5Very high90.9Very high70 Ų7093.2 Ų93.237%0.37449%0.488SS..Hα-helixtrans-58.1-45.5177.5-54.4-31.7000110.8M692 A698 E699 V700M692-D696 PolarHBondContact O-N 2.87Å; D696-A698 VanDerWaalsContact C-N 3.31Å; D696-A698 PolarHBondContact O-N 2.98Å; D696-E699 PolarHBondContact O-N 2.97Å; D696-V700 WeakPolarHBondContact O-CG2 3.2Å; D696-V700 PolarHBondContact O-N 3.39Å
697A92.3Very high90.7Very high51 Ų5192.1 Ų92.142%0.42149%0.486SS..Hα-helixtrans-69.4-24.3176.400000113.8H693 A695 R701H693-A697 WeakPolarHBondContact O-CB 3.44Å; H693-A697 PolarHBondContact O-N 3.01Å; A695-A697 VanDerWaalsContact C-N 3.33Å; A695-A697 PolarHBondContact O-N 3.18Å; A697-R701 WeakPolarHBondContact O-CG 3.27Å; A697-R701 PolarHBondContact O-N 2.77Å; A697-R701 PolarHBondContact O-NE 2.92Å
698A93.1Very high90.5Very high39 Ų3991.1 Ų91.132%0.32249%0.49SS..Hα-helixtrans-75.8-43.9170.900000111.1L694 A695 D696 R701 V702L694-A698 WeakPolarHBondContact O-CB 3.38Å; L694-A698 PolarHBondContact O-N 3.14Å; A695-A698 WeakPolarHBondContact O-CA 3.5Å; A695-A698 WeakPolarHBondContact O-CB 3.11Å; A695-A698 PolarHBondContact O-N 3.49Å; D696-A698 VanDerWaalsContact C-N 3.31Å; D696-A698 PolarHBondContact O-N 2.98Å; A698-R701 PolarHBondContact O-N 3.46Å; A698-V702 WeakPolarHBondContact O-CG2 3.47Å; A698-V702 PolarHBondContact O-N 2.63Å
699E92.9Very high90.3Very high140 Ų14095.9 Ų95.965%0.65451%0.512SS*.Hα-helixtrans-63-43.5177.8-173.1162.2-164.400111.5A695 D696 R701 V702 Q703A695-E699 PolarHBondContact O-N 3.43Å; D696-E699 PolarHBondContact O-N 2.97Å; E699-R701 VanDerWaalsContact C-N 3.32Å; E699-R701 PolarHBondContact O-N 3.12Å; E699-V702 PolarHBondContact O-N 2.84Å; E699-Q703 WeakPolarHBondContact O-CB 3.34Å; E699-Q703 PolarHBondContact O-N 2.86Å
700V92.8Very high90Very high91 Ų9195.7 Ų95.755%0.55252%0.519SS*.Hα-helixtrans-58.4-41.2172.5169.80000111.9D696 Q703 Q704D696-V700 WeakPolarHBondContact O-CG2 3.2Å; D696-V700 PolarHBondContact O-N 3.39Å; V700-Q703 PolarHBondContact O-N 3.25Å; V700-Q704 WeakPolarHBondContact O-CB 3.38Å; V700-Q704 PolarHBondContact O-N 3.07Å
701R91.9Very high89.5Confident164 Ų16498.8 Ų98.862%0.61953%0.525SS*.Hα-helixtrans-68.6-41.3176.6-76.5-170.5-63.6168.83.1112.5A697 A698 E699 Q703 Q704 Q705A697-R701 WeakPolarHBondContact O-CG 3.27Å; A697-R701 PolarHBondContact O-N 2.77Å; A697-R701 PolarHBondContact O-NE 2.92Å; A698-R701 PolarHBondContact O-N 3.46Å; E699-R701 VanDerWaalsContact C-N 3.32Å; E699-R701 PolarHBondContact O-N 3.12Å; R701-Q703 VanDerWaalsContact C-N 3.33Å; R701-Q704 PolarHBondContact O-N 3.12Å; R701-Q705 WeakPolarHBondContact O-CB 3.27Å; R701-Q705 WeakPolarHBondContact O-CG 3.46Å; R701-Q705 PolarHBondContact O-N 3.4Å
702V93.1Very high88.8Confident85 Ų85100.2 Ų100.252%0.51553%0.533SS..Hα-helixtrans-64.3-39.1174.6171.80000110.7A698 E699 Q705 T706A698-V702 WeakPolarHBondContact O-CG2 3.47Å; A698-V702 PolarHBondContact O-N 2.63Å; E699-V702 PolarHBondContact O-N 2.84Å; V702-Q705 PolarHBondContact O-N 2.8Å; V702-T706 VanDerWaalsContact O-CB 3.28Å; V702-T706 WeakPolarHBondContact O-CB 3.38Å; V702-T706 PolarHBondContact O-N 3Å; V702-T706 PolarHBondContact O-OG1 3.35Å
703Q91.8Very high88.3Confident138 Ų13898.4 Ų98.465%0.64553%0.53SS*.Hα-helixtrans-69.2-38.7177-165.9173.439.800111.7E699 V700 R701 T706 A707E699-Q703 WeakPolarHBondContact O-CB 3.34Å; E699-Q703 PolarHBondContact O-N 2.86Å; V700-Q703 PolarHBondContact O-N 3.25Å; R701-Q703 VanDerWaalsContact C-N 3.33Å; Q703-T706 PolarHBondContact O-N 3.2Å; Q703-A707 WeakPolarHBondContact O-CB 3.35Å; Q703-A707 PolarHBondContact O-N 3.22Å
704Q91.8Very high87.5Confident137 Ų13795.2 Ų95.264%0.6452%0.522SS*.Hα-helixtrans-66.3-43.7173.8-170.2177.832.500112V700 R701 T706 A707 A708V700-Q704 WeakPolarHBondContact O-CB 3.38Å; V700-Q704 PolarHBondContact O-N 3.07Å; R701-Q704 PolarHBondContact O-N 3.12Å; Q704-T706 VanDerWaalsContact C-N 3.32Å; Q704-T706 PolarHBondContact O-N 2.78Å; Q704-A707 PolarHBondContact O-N 2.9Å; Q704-A708 WeakPolarHBondContact O-CB 3.38Å; Q704-A708 PolarHBondContact O-N 3.37Å
705Q89.9Confident86.7Confident134 Ų13494.5 Ų94.563%0.62652%0.515SS*.Hα-helixtrans-61.9-39.5172.4-76.6177.2-17.200111.7R701 V702 A708 K709R701-Q705 WeakPolarHBondContact O-CB 3.27Å; R701-Q705 WeakPolarHBondContact O-CG 3.46Å; R701-Q705 PolarHBondContact O-N 3.4Å; V702-Q705 PolarHBondContact O-N 2.8Å; Q705-A708 PolarHBondContact O-N 3.42Å; Q705-K709 VanDerWaalsContact O-CB 3.32Å; Q705-K709 WeakPolarHBondContact O-CB 3.36Å; Q705-K709 PolarHBondContact O-N 3.43Å
706T89.5Confident85.8Confident75 Ų7596.7 Ų96.746%0.4652%0.518SS..Hα-helixtrans-66.3-48.1176.6-57.30000110.8V702 Q703 Q704 A708 K709 T710V702-T706 VanDerWaalsContact O-CB 3.28Å; V702-T706 WeakPolarHBondContact O-CB 3.38Å; V702-T706 PolarHBondContact O-N 3Å; V702-T706 PolarHBondContact O-OG1 3.35Å; Q703-T706 PolarHBondContact O-N 3.2Å; Q704-T706 VanDerWaalsContact C-N 3.32Å; Q704-T706 PolarHBondContact O-N 2.78Å; T706-A708 VanDerWaalsContact C-N 3.29Å; T706-A708 PolarHBondContact O-N 3.44Å; T706-K709 PolarHBondContact O-N 3.36Å; T706-K709 VanDerWaalsContact O-N 3.15Å; T706-T710 PolarHBondContact O-N 3.28Å; T706-T710 PolarHBondContact O-OG1 3.33Å
707A87.1Confident84.7Confident62 Ų6296.1 Ų96.151%0.51252%0.52SS..Hα-helixtrans-59.9-39.3175.800000112Q703 Q704 K711Q703-A707 WeakPolarHBondContact O-CB 3.35Å; Q703-A707 PolarHBondContact O-N 3.22Å; Q704-A707 PolarHBondContact O-N 2.9Å; A707-K711 WeakPolarHBondContact O-CB 3.5Å; A707-K711 PolarHBondContact O-N 2.96Å
708A86.8Confident83.1Confident49 Ų4998 Ų9841%0.40552%0.523SS..Hα-helixtrans-65.6-46.2172.400000112.1Q704 Q705 T706 K711 L712Q704-A708 WeakPolarHBondContact O-CB 3.38Å; Q704-A708 PolarHBondContact O-N 3.37Å; Q705-A708 PolarHBondContact O-N 3.42Å; T706-A708 VanDerWaalsContact C-N 3.29Å; T706-A708 PolarHBondContact O-N 3.44Å; A708-K711 PolarHBondContact O-N 3.36Å; A708-L712 WeakPolarHBondContact O-CB 3.48Å; A708-L712 WeakPolarHBondContact O-CG 3.47Å; A708-L712 PolarHBondContact O-N 2.77Å
709K84.9Confident81.6Confident145 Ų145102.8 Ų102.863%0.6354%0.542SS*.Hα-helixtrans-62.7-42.3177.6-174.9171.4-179.1174.30111.7Q705 T706 L712 S713Q705-K709 VanDerWaalsContact O-CB 3.32Å; Q705-K709 WeakPolarHBondContact O-CB 3.36Å; Q705-K709 PolarHBondContact O-N 3.43Å; T706-K709 PolarHBondContact O-N 3.36Å; T706-K709 VanDerWaalsContact O-N 3.15Å; K709-L712 PolarHBondContact O-N 3.38Å; K709-S713 WeakPolarHBondContact O-CB 3.22Å; K709-S713 PolarHBondContact O-N 3.08Å
710T82.6Confident79.9Confident88 Ų88102.5 Ų102.554%0.5454%0.544SS..Hα-helixtrans-65.2-42.7173.9-59.10000111.4T706 L712 S713 S714T706-T710 PolarHBondContact O-N 3.28Å; T706-T710 PolarHBondContact O-OG1 3.33Å; T710-L712 PolarHBondContact O-N 3.22Å; T710-S713 PolarHBondContact O-N 2.88Å; T710-S714 WeakPolarHBondContact O-CB 3.45Å; T710-S714 PolarHBondContact O-N 3.21Å; T710-S714 PolarHBondContact O-OG 3.46Å
711K80.8Confident78.1Confident143 Ų143104.9 Ų104.962%0.62255%0.551SS**Hα-helixtrans-69.1-30.7177.9-170.3177.3179.8-178.40113A707 A708 S714 Q715A707-K711 WeakPolarHBondContact O-CB 3.5Å; A707-K711 PolarHBondContact O-N 2.96Å; A708-K711 PolarHBondContact O-N 3.36Å; K711-S714 PolarHBondContact O-OG 3.48Å; K711-Q715 WeakPolarHBondContact O-CG 3.43Å; K711-Q715 PolarHBondContact O-N 3.28Å; K711-Q715 PolarHBondContact O-NE2 3.02Å
712L74.9Confident76.1Confident102 Ų102107.3 Ų107.353%0.53456%0.56SS.*Hα-helixtrans-74.8-43.5171-72.6170.2000111A708 K709 T710 S714 Q715 I716A708-L712 WeakPolarHBondContact O-CB 3.48Å; A708-L712 WeakPolarHBondContact O-CG 3.47Å; A708-L712 PolarHBondContact O-N 2.77Å; K709-L712 PolarHBondContact O-N 3.38Å; T710-L712 PolarHBondContact O-N 3.22Å; L712-S714 VanDerWaalsContact C-N 3.33Å; L712-S714 PolarHBondContact O-N 3.16Å; L712-Q715 PolarHBondContact O-N 3.41Å; L712-I716 VanDerWaalsContact O-CG1 3.28Å; L712-I716 WeakPolarHBondContact O-CG1 3.33Å; L712-I716 PolarHBondContact O-N 2.78Å
713S75.8Confident73.7Confident67 Ų67107.8 Ų107.847%0.46956%0.563SS.*Hα-helixtrans-60.5-41.2175.5-1690000111.7K709 T710 I716 S717K709-S713 WeakPolarHBondContact O-CB 3.22Å; K709-S713 PolarHBondContact O-N 3.08Å; T710-S713 PolarHBondContact O-N 2.88Å; S713-I716 PolarHBondContact O-N 2.93Å; S713-S717 WeakPolarHBondContact O-CB 3.49Å; S713-S717 PolarHBondContact O-N 3.43Å; S713-S717 PolarHBondContact O-OG 2.76Å; S713-S717 VanDerWaalsContact O-OG 3.13Å
714S73.1Confident71.3Confident52 Ų52107 Ų10736%0.36457%0.568SS.*Hα-helixtrans-66.6-42.4175.973.40000111.2T710 K711 L712 I716 S717 D718T710-S714 WeakPolarHBondContact O-CB 3.45Å; T710-S714 PolarHBondContact O-N 3.21Å; T710-S714 PolarHBondContact O-OG 3.46Å; K711-S714 PolarHBondContact O-OG 3.48Å; L712-S714 VanDerWaalsContact C-N 3.33Å; L712-S714 PolarHBondContact O-N 3.16Å; S714-I716 VanDerWaalsContact C-N 3.31Å; S714-I716 PolarHBondContact O-N 3.06Å; S714-S717 CarbonylContact O-C 3.6Å; S714-S717 PolarHBondContact O-N 3.24Å; S714-D718 WeakPolarHBondContact O-CB 3.37Å; S714-D718 PolarHBondContact O-N 3.36Å
715Q75Confident68.9Low96 Ų96105.6 Ų105.645%0.44957%0.571SS.*Hα-helixtrans-62-36.5173.5-79.1169.994.800112.7K711 L712 D718 L719K711-Q715 WeakPolarHBondContact O-CG 3.43Å; K711-Q715 PolarHBondContact O-N 3.28Å; K711-Q715 PolarHBondContact O-NE2 3.02Å; L712-Q715 PolarHBondContact O-N 3.41Å; Q715-D718 PolarHBondContact O-N 2.66Å; Q715-L719 WeakPolarHBondContact O-CB 3.48Å; Q715-L719 VanDerWaalsContact O-CD1 3.23Å; Q715-L719 WeakPolarHBondContact O-CD1 3.33Å; Q715-L719 PolarHBondContact O-N 3.05Å
716I70.6Confident66.8Low103 Ų103107.3 Ų107.353%0.52858%0.582SS.*Hα-helixtrans-69.8-43.6175.6-68.8163000110.4L712 S713 S714 L719 L720L712-I716 VanDerWaalsContact O-CG1 3.28Å; L712-I716 WeakPolarHBondContact O-CG1 3.33Å; L712-I716 PolarHBondContact O-N 2.78Å; S713-I716 PolarHBondContact O-N 2.93Å; S714-I716 VanDerWaalsContact C-N 3.31Å; S714-I716 PolarHBondContact O-N 3.06Å; I716-L719 PolarHBondContact O-N 3.49Å; I716-L720 HydrophobicContact CG2-CD1 3.95Å; I716-L720 WeakPolarHBondContact O-CB 3.38Å; I716-L720 VanDerWaalsContact O-CG 3.29Å; I716-L720 WeakPolarHBondContact O-CG 3.28Å; I716-L720 PolarHBondContact O-N 3.36Å
717S67.6Low64.5Low58 Ų58110.9 Ų110.941%0.40660%0.597SS.*Hα-helixtrans-61.1-41.4171.8-64.70000112.2S713 S714 L719 L720 M721S713-S717 WeakPolarHBondContact O-CB 3.49Å; S713-S717 PolarHBondContact O-N 3.43Å; S713-S717 PolarHBondContact O-OG 2.76Å; S713-S717 VanDerWaalsContact O-OG 3.13Å; S714-S717 CarbonylContact O-C 3.6Å; S714-S717 PolarHBondContact O-N 3.24Å; S717-L719 PolarHBondContact O-N 3.39Å; S717-L720 CarbonylContact O-C 3.59Å; S717-L720 PolarHBondContact O-N 2.93Å; S717-M721 WeakPolarHBondContact O-CB 3.33Å; S717-M721 WeakPolarHBondContact O-CG 2.86Å; S717-M721 PolarHBondContact O-N 3.14Å
718D59.1Low62.6Low90 Ų90113 Ų11348%0.48161%0.609SS.*Hα-helixtrans-64.3-37.6175.5-73.1-35.4000111.5S714 Q715 R722S714-D718 WeakPolarHBondContact O-CB 3.37Å; S714-D718 PolarHBondContact O-N 3.36Å; Q715-D718 PolarHBondContact O-N 2.66Å; D718-R722 WeakPolarHBondContact O-CB 3.5Å; D718-R722 VanDerWaalsContact O-CG 3.27Å; D718-R722 WeakPolarHBondContact O-CG 3.34Å; D718-R722 PolarHBondContact O-N 3.38Å
719L60.7Low60.6Low140 Ų140116.4 Ų116.473%0.73363%0.629SS**Hα-helixtrans-69-38.3173.3-100.473.8000112.2Q715 I716 S717 M721Q715-L719 WeakPolarHBondContact O-CB 3.48Å; Q715-L719 VanDerWaalsContact O-CD1 3.23Å; Q715-L719 WeakPolarHBondContact O-CD1 3.33Å; Q715-L719 PolarHBondContact O-N 3.05Å; I716-L719 PolarHBondContact O-N 3.49Å; S717-L719 PolarHBondContact O-N 3.39Å; L719-M721 VanDerWaalsContact C-N 3.35Å
720L57.8Low58.9Low133 Ų133113.7 Ų113.770%0.69664%0.643SS**Hα-helixtrans-73.5-25.3176.8-68.9170.1000112.7I716 S717I716-L720 HydrophobicContact CG2-CD1 3.95Å; I716-L720 WeakPolarHBondContact O-CB 3.38Å; I716-L720 VanDerWaalsContact O-CG 3.29Å; I716-L720 WeakPolarHBondContact O-CG 3.28Å; I716-L720 PolarHBondContact O-N 3.36Å; S717-L720 CarbonylContact O-C 3.59Å; S717-L720 PolarHBondContact O-N 2.93Å
721M55Low57.3Low141 Ų141113.2 Ų113.270%0.69566%0.655SS**Hα-helixtrans-89.7-25.1173.3-73.3-173.3158.900113.6S717 L719 T723S717-M721 WeakPolarHBondContact O-CB 3.33Å; S717-M721 WeakPolarHBondContact O-CG 2.86Å; S717-M721 PolarHBondContact O-N 3.14Å; L719-M721 VanDerWaalsContact C-N 3.35Å; M721-T723 VanDerWaalsContact C-N 3.33Å; M721-T723 PolarHBondContact O-N 2.93Å; M721-T723 VanDerWaalsContact O-N 3.16Å
722R49.3Very low55.8Low216 Ų216109.1 Ų109.182%0.81565%0.653SS**  trans-87.664.6174.3-72-176.3118.4-172.52.2112.4D718 T724D718-R722 WeakPolarHBondContact O-CB 3.5Å; D718-R722 VanDerWaalsContact O-CG 3.27Å; D718-R722 WeakPolarHBondContact O-CG 3.34Å; D718-R722 PolarHBondContact O-N 3.38Å; R722-T724 PolarHBondContact O-N 3.24Å
723T43.6Very low54.8Low94 Ų94113.5 Ų113.558%0.57766%0.663SS**  trans-70.194.6164.5-430000110.6M721 L734M721-T723 VanDerWaalsContact C-N 3.33Å; M721-T723 PolarHBondContact O-N 2.93Å; M721-T723 VanDerWaalsContact O-N 3.16Å; T723-L734 HydrophobicContact CG2-CD1 4.3Å
724T41.8Very low53.9Low121 Ų121115.7 Ų115.774%0.74267%0.669SS**  trans65.8143164.650.20000120R722R722-T724 PolarHBondContact O-N 3.24Å
725P41.4Very low52.9Low109 Ų109118 Ų11871%0.70868%0.682SS**  trans-77.1158164.634.5-34.8000111.4I727P725-I727 PolarHBondContact O-N 3.03Å
726I44.8Very low51.8Low169 Ų169122.8 Ų122.887%0.86770%0.698SS**  trans-73.7110.7172.2-61.8172.8000109.6
727I42.8Very low51.4Low150 Ų150121.2 Ų121.277%0.76969%0.693SS**  trans-132.3132155.5-58.9-177.6000106.6P725 S729P725-I727 PolarHBondContact O-N 3.03Å; I727-S729 PolarHBondContact O-N 2.91Å
728S47.1Very low51.3Low108 Ų108121.1 Ų121.176%0.75569%0.685SS**  trans-70.3123.2-169.2-53.40000114.1
729S44.5Very low52.4Low119 Ų119121.2 Ų121.283%0.83269%0.689SS**  trans-168.5153.5133.8-820000110.2I727I727-S729 PolarHBondContact O-N 2.91Å
730G48.2Very low53.5Low89 Ų89117.2 Ų117.292%0.91867%0.671SS**  trans-64.9132.6-164.200000115.5
731G48.7Very low54.9Low77 Ų77117.9 Ų117.979%0.79467%0.668SS**  trans177.788.5175.900000113.9
732G50.8Low56.4Low57 Ų57118.3 Ų118.359%0.58867%0.668SS**  trans25.9113.6164.200000120.6L734G732-L734 PolarHBondContact O-N 2.72Å
733R53.5Low58.4Low194 Ų194110.3 Ų110.373%0.73264%0.643SS**  trans-53.1136.8168.1-77.9179.4170.1-107.20.8112.4
734L55.7Low60.6Low114 Ų114110.5 Ų110.560%0.59764%0.64SS**  trans-77.1151.8175-68.8174.3000111.7T723 G732 Y736 T737T723-L734 HydrophobicContact CG2-CD1 4.3Å; G732-L734 PolarHBondContact O-N 2.72Å; L734-Y736 PolarHBondContact O-N 3.25Å; L734-Y736 VanDerWaalsContact O-N 3.07Å; L734-T737 PolarHBondContact O-N 2.97Å; L734-T737 PolarHBondContact O-OG1 3.17Å
735P53.2Low63Low99 Ų99109 Ų10964%0.64362%0.624SS**G310 helixtrans-64.4-18-169.424-34.9000115.3T737 F738P735-T737 PolarHBondContact O-N 3.38Å; P735-F738 PolarHBondContact O-N 3.43Å; P735-F738 VanDerWaalsContact O-N 3.09Å
736Y51.2Low65.4Low197 Ų197106 Ų10677%0.77361%0.61SS**G310 helixtrans-60-15.8-180-163.4-100.1000113.9L734L734-Y736 PolarHBondContact O-N 3.25Å; L734-Y736 VanDerWaalsContact O-N 3.07Å
737T62.3Low67.7Low70 Ų7098.8 Ų98.843%0.42957%0.573SS.*G310 helixtrans-85-1176.264.60000115.2L734 P735L734-T737 PolarHBondContact O-N 2.97Å; L734-T737 PolarHBondContact O-OG1 3.17Å; P735-T737 PolarHBondContact O-N 3.38Å
738F66.2Low70.2Confident56 Ų5694.4 Ų94.425%0.24656%0.555CS.*THydrogen-bonded Turntrans-103.2-22.4-179.2-69.9-82.5000114.4P735 T740 A787 A790P735-F738 PolarHBondContact O-N 3.43Å; P735-F738 VanDerWaalsContact O-N 3.09Å; F738-T740 VanDerWaalsContact C-N 3.32Å; F738-T740 PolarHBondContact O-N 2.93Å; F738-A787 HydrophobicContact CB-CB 4.29Å; F738-A787 HydrophobicContact CD1-CB 4Å; F738-A787 HydrophobicContact CD2-CB 3.78Å; F738-A787 HydrophobicContact CE1-CB 4.29Å; F738-A787 HydrophobicContact CE2-CB 4.08Å; F738-A787 HydrophobicContact CG-CB 3.74Å; F738-A787 HydrophobicContact CZ-CB 4.32Å; F738-A790 HydrophobicContact CE1-CB 3.65Å; F738-A790 HydrophobicContact CZ-CB 3.68Å
739V80.7Confident72.5Confident92 Ų9295.8 Ų95.856%0.55855%0.55SS*.  trans-89.873.6174.2-171.50000108.5
740T85.3Confident74.9Confident57 Ų5793 Ų9335%0.3553%0.53SS..  trans-74.8164.2172.570.20000110.4F738 E742 V743 L744F738-T740 VanDerWaalsContact C-N 3.32Å; F738-T740 PolarHBondContact O-N 2.93Å; T740-E742 PolarHBondContact O-N 3.22Å; T740-E742 PolarHBondContact OG1-N 3.14Å; T740-V743 PolarHBondContact O-N 3.25Å; T740-V743 WeakPolarHBondContact OG1-CG2 3.42Å; T740-V743 PolarHBondContact OG1-N 3.1Å; T740-L744 PolarHBondContact O-N 3.23Å
741K87.5Confident77.2Confident146 Ų14690.5 Ų90.564%0.63550%0.495SS*.Hα-helixtrans-53.5-41.4172.1179179.6171.7-73.40111.7L744 E745K741-L744 PolarHBondContact O-N 3.39Å; K741-E745 VanDerWaalsContact CE-OE1 3.3Å; K741-E745 WeakPolarHBondContact CE-OE1 3.49Å; K741-E745 HydrophobicContact CG-CG 4.48Å; K741-E745 WeakPolarHBondContact CG-OE2 3.4Å; K741-E745 IonicContact NZ-OE1 2.65Å; K741-E745 PolarHBondContact NZ-OE1 3.5Å; K741-E745 IonicContact NZ-OE2 3.74Å; K741-E745 PolarHBondContact NZ-OE2 2.87Å; K741-E745 WeakPolarHBondContact O-CB 3.5Å; K741-E745 WeakPolarHBondContact O-CG 3.39Å; K741-E745 PolarHBondContact O-N 2.94Å
742E86.6Confident79.4Confident150 Ų15092.7 Ų92.770%0.70149%0.488SS*.Hα-helixtrans-65.8-40.7179.8-60.3163.8162.900112T740 L744 E745 A746T740-E742 PolarHBondContact O-N 3.22Å; T740-E742 PolarHBondContact OG1-N 3.14Å; E742-L744 VanDerWaalsContact C-N 3.34Å; E742-E745 PolarHBondContact O-N 3.31Å; E742-A746 WeakPolarHBondContact O-CB 3.45Å; E742-A746 PolarHBondContact O-N 2.63Å
743V89.8Confident81.5Confident48 Ų4893 Ų9329%0.29147%0.474SS..Hα-helixtrans-66.2-37.1175.3169.60000111.3T740 T747 I783T740-V743 PolarHBondContact O-N 3.25Å; T740-V743 WeakPolarHBondContact OG1-CG2 3.42Å; T740-V743 PolarHBondContact OG1-N 3.1Å; V743-T747 WeakPolarHBondContact O-CB 3.38Å; V743-T747 PolarHBondContact O-N 2.65Å; V743-T747 PolarHBondContact O-OG1 3.03Å; V743-I783 HydrophobicContact CG1-CD1 3.67Å; V743-I783 HydrophobicContact CG1-CG1 3.79Å
744L91Very high83.5Confident99 Ų9985.4 Ų85.452%0.51845%0.447SS..Hα-helixtrans-68.6-45.1174.7-17762.4000111.7T740 K741 E742 T747 C748T740-L744 PolarHBondContact O-N 3.23Å; K741-L744 PolarHBondContact O-N 3.39Å; E742-L744 VanDerWaalsContact C-N 3.34Å; L744-T747 WeakPolarHBondContact O-CB 3.3Å; L744-T747 PolarHBondContact O-N 3.11Å; L744-C748 PolarHBondContact O-N 2.89Å; L744-C748 PolarHBondContact O-SG 3.08Å; L744-C748 VanDerWaalsContact O-SG 3.39Å
745E91.9Very high85.3Confident88 Ų8881.3 Ų81.341%0.41143%0.43SS..Hα-helixtrans-61.8-46.9177.2-75.7173.3143.900111.5K741 E742 T747 C748 E749K741-E745 VanDerWaalsContact CE-OE1 3.3Å; K741-E745 WeakPolarHBondContact CE-OE1 3.49Å; K741-E745 HydrophobicContact CG-CG 4.48Å; K741-E745 WeakPolarHBondContact CG-OE2 3.4Å; K741-E745 IonicContact NZ-OE1 2.65Å; K741-E745 PolarHBondContact NZ-OE1 3.5Å; K741-E745 IonicContact NZ-OE2 3.74Å; K741-E745 PolarHBondContact NZ-OE2 2.87Å; K741-E745 WeakPolarHBondContact O-CB 3.5Å; K741-E745 WeakPolarHBondContact O-CG 3.39Å; K741-E745 PolarHBondContact O-N 2.94Å; E742-E745 PolarHBondContact O-N 3.31Å; E745-T747 VanDerWaalsContact C-N 3.31Å; E745-T747 PolarHBondContact O-N 2.87Å; E745-C748 WeakPolarHBondContact O-CB 3.44Å; E745-C748 PolarHBondContact O-N 2.93Å; E745-C748 VanDerWaalsContact O-N 3.14Å; E745-E749 WeakPolarHBondContact O-CG 3.43Å; E745-E749 PolarHBondContact O-N 3.2Å
746A91.5Very high87.2Confident48 Ų4881.8 Ų81.840%0.39742%0.422SS..Hα-helixtrans-60.8-38174.300000112.7E742 E749 C750E742-A746 WeakPolarHBondContact O-CB 3.45Å; E742-A746 PolarHBondContact O-N 2.63Å; A746-E749 PolarHBondContact O-N 2.86Å; A746-C750 PolarHBondContact O-N 3.39Å; A746-C750 VanDerWaalsContact O-N 3.08Å; A746-C750 PolarHBondContact O-SG 3.43Å; A746-C750 VanDerWaalsContact O-SG 3.38Å
747T93.6Very high89.2Confident16 Ų1678.4 Ų78.410%0.09841%0.407CS..Hα-helixtrans-63.2-44.1174.1-59.30000111V743 L744 E745 C750 L751 F776 C779V743-T747 WeakPolarHBondContact O-CB 3.38Å; V743-T747 PolarHBondContact O-N 2.65Å; V743-T747 PolarHBondContact O-OG1 3.03Å; L744-T747 WeakPolarHBondContact O-CB 3.3Å; L744-T747 PolarHBondContact O-N 3.11Å; E745-T747 VanDerWaalsContact C-N 3.31Å; E745-T747 PolarHBondContact O-N 2.87Å; T747-C750 PolarHBondContact O-N 3.48Å; T747-L751 HydrophobicContact CG2-CD1 4.45Å; T747-L751 WeakPolarHBondContact O-CG 3.49Å; T747-L751 PolarHBondContact O-N 2.87Å; T747-F776 HydrophobicContact CG2-CD2 4.39Å; T747-F776 HydrophobicContact CG2-CE2 4.49Å; T747-C779 HydrophobicContact CG2-CB 3.83Å
748C94.8Very high90.6Very high59 Ų5975.5 Ų75.540%0.39939%0.39SS..Hα-helixtrans-63.9-38.9175.9-69.50000112.6L744 E745 L751 L752L744-C748 PolarHBondContact O-N 2.89Å; L744-C748 PolarHBondContact O-SG 3.08Å; L744-C748 VanDerWaalsContact O-SG 3.39Å; E745-C748 WeakPolarHBondContact O-CB 3.44Å; E745-C748 PolarHBondContact O-N 2.93Å; E745-C748 VanDerWaalsContact O-N 3.14Å; C748-L751 PolarHBondContact O-N 3.3Å; C748-L752 WeakPolarHBondContact O-CB 3.34Å; C748-L752 VanDerWaalsContact O-CG 3.27Å; C748-L752 WeakPolarHBondContact O-CG 3.35Å; C748-L752 PolarHBondContact O-N 3.21Å
749E95.4Very high91.8Very high136 Ų13680.1 Ų80.164%0.63641%0.413SS*.Hα-helixtrans-62.5-43.4176-73.6-179.4173.300112.2E745 A746 L751 L752 E753E745-E749 WeakPolarHBondContact O-CG 3.43Å; E745-E749 PolarHBondContact O-N 3.2Å; A746-E749 PolarHBondContact O-N 2.86Å; E749-L751 PolarHBondContact O-N 3.33Å; E749-L752 PolarHBondContact O-N 3.04Å; E749-E753 WeakPolarHBondContact O-CB 3.42Å; E749-E753 PolarHBondContact O-N 3.48Å
750C94.4Very high92.4Very high61 Ų6183.2 Ų83.241%0.41242%0.421SS..Hα-helixtrans-57.8-45.8174.1-70.50000112.3A746 T747 Q754A746-C750 PolarHBondContact O-N 3.39Å; A746-C750 VanDerWaalsContact O-N 3.08Å; A746-C750 PolarHBondContact O-SG 3.43Å; A746-C750 VanDerWaalsContact O-SG 3.38Å; T747-C750 PolarHBondContact O-N 3.48Å; C750-Q754 WeakPolarHBondContact O-CB 3.38Å; C750-Q754 PolarHBondContact O-N 3.29Å
751L96.3Very high92.6Very high37 Ų3785.2 Ų85.219%0.19443%0.433CS..Hα-helixtrans-66.3-40179.8-63.2175000112.6T747 C748 E749 Q754 A755 I772 E775 F776T747-L751 HydrophobicContact CG2-CD1 4.45Å; T747-L751 WeakPolarHBondContact O-CG 3.49Å; T747-L751 PolarHBondContact O-N 2.87Å; C748-L751 PolarHBondContact O-N 3.3Å; E749-L751 PolarHBondContact O-N 3.33Å; L751-Q754 PolarHBondContact O-N 3.03Å; L751-A755 WeakPolarHBondContact O-CB 3.21Å; L751-A755 PolarHBondContact O-N 3.18Å; L751-I772 HydrophobicContact CB-CG2 4.44Å; L751-I772 HydrophobicContact CD2-CG2 3.98Å; L751-I772 WeakPolarHBondContact CD2-O 3.41Å; L751-E775 HydrophobicContact CD2-CB 4.24Å; L751-F776 HydrophobicContact CD1-CD2 4.05Å; L751-F776 HydrophobicContact CD2-CB 3.78Å
752L95.6Very high92.6Very high122 Ų12288.9 Ų88.964%0.63944%0.443SS*.Hα-helixtrans-69.3-40.1178.8-72.1169000112.1C748 E749 A755 K756C748-L752 WeakPolarHBondContact O-CB 3.34Å; C748-L752 VanDerWaalsContact O-CG 3.27Å; C748-L752 WeakPolarHBondContact O-CG 3.35Å; C748-L752 PolarHBondContact O-N 3.21Å; E749-L752 PolarHBondContact O-N 3.04Å; L752-A755 PolarHBondContact O-N 3.2Å; L752-K756 VanDerWaalsContact O-CB 3.28Å; L752-K756 WeakPolarHBondContact O-CB 3.42Å; L752-K756 PolarHBondContact O-N 3.5Å
753E95.2Very high92.7Very high63 Ų6385.6 Ų85.629%0.29443%0.428SS..Hα-helixtrans-66.8-36.4174.3174.261.8-170.900111.6E749 K756 R757E749-E753 WeakPolarHBondContact O-CB 3.42Å; E749-E753 PolarHBondContact O-N 3.48Å; E753-K756 IonicContact OE2-NZ 3.93Å; E753-K756 PolarHBondContact OE2-NZ 3.3Å; E753-R757 VanDerWaalsContact O-CG 3.24Å; E753-R757 WeakPolarHBondContact O-CG 3.46Å; E753-R757 PolarHBondContact O-N 3.49Å; E753-R757 IonicContact OE1-CZ 2.74Å; E753-R757 VanDerWaalsContact OE1-CZ 3.24Å; E753-R757 IonicContact OE1-NE 3.8Å; E753-R757 PolarHBondContact OE1-NE 3.46Å; E753-R757 IonicContact OE1-NH2 3.27Å; E753-R757 PolarHBondContact OE1-NH2 2.92Å
754Q94.6Very high92.7Very high36 Ų3687 Ų8717%0.16844%0.438CS..Hα-helixtrans-68.1-42.9174-169.875.1-33.600112.5C750 L751 K756 R757 A758 A771 I772 E775C750-Q754 WeakPolarHBondContact O-CB 3.38Å; C750-Q754 PolarHBondContact O-N 3.29Å; L751-Q754 PolarHBondContact O-N 3.03Å; Q754-K756 PolarHBondContact O-N 2.92Å; Q754-R757 WeakPolarHBondContact O-CB 3.33Å; Q754-R757 PolarHBondContact O-N 2.73Å; Q754-A758 PolarHBondContact O-N 2.95Å; Q754-A771 HydrophobicContact CG-CB 4.37Å; Q754-I772 HydrophobicContact CG-CG1 4.5Å; Q754-E775 HydrophobicContact CB-CG 4Å; Q754-E775 HydrophobicContact CG-CB 4.36Å; Q754-E775 HydrophobicContact CG-CG 3.59Å; Q754-E775 VanDerWaalsContact NE2-CG 3.27Å; Q754-E775 PolarHBondContact NE2-OE1 3.06Å
755A93.4Very high92.7Very high28 Ų2889.1 Ų89.123%0.23145%0.445CS..Hα-helixtrans-58.5-48.117500000111.3L751 L752 R757 A758 E759 I772L751-A755 WeakPolarHBondContact O-CB 3.21Å; L751-A755 PolarHBondContact O-N 3.18Å; L752-A755 PolarHBondContact O-N 3.2Å; A755-R757 VanDerWaalsContact C-N 3.31Å; A755-R757 PolarHBondContact O-N 2.9Å; A755-A758 WeakPolarHBondContact O-CB 3.36Å; A755-A758 PolarHBondContact O-N 2.68Å; A755-A758 VanDerWaalsContact O-N 3.13Å; A755-E759 PolarHBondContact O-N 2.97Å; A755-I772 HydrophobicContact CB-CD1 3.63Å; A755-I772 HydrophobicContact CB-CG1 4.09Å
756K94.7Very high92.7Very high109 Ų10988.5 Ų88.547%0.47446%0.455SS..Hα-helixtrans-59.5-36.3175.2171.9-179.3152.8-134.70112.9L752 E753 Q754 Q760L752-K756 VanDerWaalsContact O-CB 3.28Å; L752-K756 WeakPolarHBondContact O-CB 3.42Å; L752-K756 PolarHBondContact O-N 3.5Å; E753-K756 IonicContact OE2-NZ 3.93Å; E753-K756 PolarHBondContact OE2-NZ 3.3Å; Q754-K756 PolarHBondContact O-N 2.92Å; K756-Q760 VanDerWaalsContact O-CB 3.31Å; K756-Q760 WeakPolarHBondContact O-CB 3.39Å; K756-Q760 PolarHBondContact O-N 2.94Å
757R92.3Very high92.7Very high125 Ų12590.7 Ų90.747%0.47246%0.457SS..Hα-helixtrans-66.3-43173.3-75.4167-172.3-177.65111.9E753 Q754 A755 Q760 T761E753-R757 VanDerWaalsContact O-CG 3.24Å; E753-R757 WeakPolarHBondContact O-CG 3.46Å; E753-R757 PolarHBondContact O-N 3.49Å; E753-R757 IonicContact OE1-CZ 2.74Å; E753-R757 VanDerWaalsContact OE1-CZ 3.24Å; E753-R757 IonicContact OE1-NE 3.8Å; E753-R757 PolarHBondContact OE1-NE 3.46Å; E753-R757 IonicContact OE1-NH2 3.27Å; E753-R757 PolarHBondContact OE1-NH2 2.92Å; Q754-R757 WeakPolarHBondContact O-CB 3.33Å; Q754-R757 PolarHBondContact O-N 2.73Å; A755-R757 VanDerWaalsContact C-N 3.31Å; A755-R757 PolarHBondContact O-N 2.9Å; R757-Q760 PolarHBondContact O-N 3.42Å; R757-T761 PolarHBondContact O-N 2.8Å; R757-T761 PolarHBondContact O-OG1 2.97Å
758A91.6Very high92.6Very high9 Ų990.8 Ų90.87%0.07446%0.46CS..Hα-helixtrans-64.8-37.8176.800000112.5Q754 A755 T761 R762 Q763 A768Q754-A758 PolarHBondContact O-N 2.95Å; A755-A758 WeakPolarHBondContact O-CB 3.36Å; A755-A758 PolarHBondContact O-N 2.68Å; A755-A758 VanDerWaalsContact O-N 3.13Å; A758-T761 PolarHBondContact O-OG1 3.29Å; A758-R762 PolarHBondContact O-N 3.47Å; A758-R762 VanDerWaalsContact O-N 3.1Å; A758-Q763 HydrophobicContact CB-CB 4.42Å; A758-Q763 PolarHBondContact O-N 3.11Å; A758-A768 HydrophobicContact CB-CB 3.57Å
759E91.7Very high92.6Very high154 Ų15492.6 Ų92.672%0.7246%0.462SS*.Hα-helixtrans-62.2-46.5169.8-70.3-177.2156.200111.8A755 T761 R762A755-E759 PolarHBondContact O-N 2.97Å; E759-T761 PolarHBondContact O-N 3.25Å; E759-R762 PolarHBondContact O-N 3.39Å
760Q92.1Very high92.5Very high156 Ų15693.5 Ų93.573%0.72946%0.46SS*.Hα-helixtrans-68.2-33.2-177.1-170.3170.515.300113K756 R757 R762K756-Q760 VanDerWaalsContact O-CB 3.31Å; K756-Q760 WeakPolarHBondContact O-CB 3.39Å; K756-Q760 PolarHBondContact O-N 2.94Å; R757-Q760 PolarHBondContact O-N 3.42Å; Q760-R762 VanDerWaalsContact C-N 3.29Å
761T90.3Very high92.4Very high99 Ų9991.7 Ų91.761%0.60745%0.45SS*.THydrogen-bonded Turntrans-82.8-4171.352.90000113.4R757 A758 E759 Q763R757-T761 PolarHBondContact O-N 2.8Å; R757-T761 PolarHBondContact O-OG1 2.97Å; A758-T761 PolarHBondContact O-OG1 3.29Å; E759-T761 PolarHBondContact O-N 3.25Å; T761-Q763 VanDerWaalsContact C-N 3.31Å; T761-Q763 PolarHBondContact O-N 3.37Å; T761-Q763 WeakPolarHBondContact OG1-CG 3.32Å
762R88.5Confident92.4Very high224 Ų22492.3 Ų92.385%0.84545%0.453SS*.THydrogen-bonded Turntrans5639.4-178.1-61.2-173.8171.9-160.6-1.6114A758 E759 Q760A758-R762 PolarHBondContact O-N 3.47Å; A758-R762 VanDerWaalsContact O-N 3.1Å; E759-R762 PolarHBondContact O-N 3.39Å; Q760-R762 VanDerWaalsContact C-N 3.29Å
763Q87.8Confident92.4Very high80 Ų8092.2 Ų92.237%0.37445%0.452SS..  trans-63.8147.4176.9-70-75.958.200111.4A758 T761 E767A758-Q763 HydrophobicContact CB-CB 4.42Å; A758-Q763 PolarHBondContact O-N 3.11Å; T761-Q763 VanDerWaalsContact C-N 3.31Å; T761-Q763 PolarHBondContact O-N 3.37Å; T761-Q763 WeakPolarHBondContact OG1-CG 3.32Å; Q763-E767 VanDerWaalsContact NE2-CD 3.26Å; Q763-E767 PolarHBondContact NE2-OE1 3.36Å
764P90.8Very high92.4Very high78 Ų7893.5 Ų93.551%0.50646%0.458SS..  trans-63.3146.9173.827.5-33.2000110A766 E767 A768P764-A766 VanDerWaalsContact C-N 3.28Å; P764-A766 PolarHBondContact O-N 2.87Å; P764-A766 VanDerWaalsContact O-N 3.1Å; P764-E767 HydrophobicContact CG-CB 3.85Å; P764-E767 WeakPolarHBondContact O-CA 3.38Å; P764-E767 WeakPolarHBondContact O-CB 3.32Å; P764-E767 PolarHBondContact O-N 3.44Å; P764-A768 PolarHBondContact O-N 2.86Å
765Q91Very high92.4Very high144 Ų14494.7 Ų94.767%0.67346%0.463SS*.Hα-helixtrans-50.5-43.6-170.3-179.8178.6-18.300113.7E767 A768 E769Q765-E767 VanDerWaalsContact C-N 3.27Å; Q765-E767 PolarHBondContact O-N 2.82Å; Q765-A768 PolarHBondContact O-N 3.15Å; Q765-E769 HydrophobicContact CG-CG 4.32Å; Q765-E769 VanDerWaalsContact CG-OE1 3.31Å; Q765-E769 WeakPolarHBondContact CG-OE1 3.35Å; Q765-E769 PolarHBondContact NE2-OE1 3.43Å; Q765-E769 WeakPolarHBondContact O-CB 3.28Å; Q765-E769 WeakPolarHBondContact O-CG 3.47Å; Q765-E769 PolarHBondContact O-N 2.83Å
766A91.8Very high92.5Very high75 Ų7597.5 Ų97.562%0.6247%0.471SS*.Hα-helixtrans-65.1-27.1179.300000113.9P764 R770P764-A766 VanDerWaalsContact C-N 3.28Å; P764-A766 PolarHBondContact O-N 2.87Å; P764-A766 VanDerWaalsContact O-N 3.1Å; A766-R770 VanDerWaalsContact O-CB 3.27Å; A766-R770 WeakPolarHBondContact O-CB 3.44Å; A766-R770 PolarHBondContact O-N 3.35Å; A766-R770 VanDerWaalsContact O-N 3.15Å
767E91.8Very high92.6Very high94 Ų9494.1 Ų94.144%0.43947%0.466SS..Hα-helixtrans-84-34.3176.5-167.3169165.500111.2Q763 P764 Q765 R770 A771Q763-E767 VanDerWaalsContact NE2-CD 3.26Å; Q763-E767 PolarHBondContact NE2-OE1 3.36Å; P764-E767 HydrophobicContact CG-CB 3.85Å; P764-E767 WeakPolarHBondContact O-CA 3.38Å; P764-E767 WeakPolarHBondContact O-CB 3.32Å; P764-E767 PolarHBondContact O-N 3.44Å; Q765-E767 VanDerWaalsContact C-N 3.27Å; Q765-E767 PolarHBondContact O-N 2.82Å; E767-R770 PolarHBondContact O-N 3.49Å; E767-A771 WeakPolarHBondContact O-CB 3.32Å; E767-A771 PolarHBondContact O-N 3.49Å
768A91.4Very high92.7Very high18 Ų1893.7 Ų93.715%0.14947%0.469CS..Hα-helixtrans-63.2-49.3169.200000111.9A758 P764 Q765 R770 A771 I772A758-A768 HydrophobicContact CB-CB 3.57Å; P764-A768 PolarHBondContact O-N 2.86Å; Q765-A768 PolarHBondContact O-N 3.15Å; A768-R770 VanDerWaalsContact C-N 3.31Å; A768-R770 PolarHBondContact O-N 3.36Å; A768-A771 PolarHBondContact O-N 2.8Å; A768-I772 WeakPolarHBondContact O-CD1 3.15Å; A768-I772 VanDerWaalsContact O-CG1 3.27Å; A768-I772 WeakPolarHBondContact O-CG1 3.46Å; A768-I772 PolarHBondContact O-N 3.17Å
769E93.7Very high92.8Very high96 Ų9694 Ų9445%0.44947%0.471SS..Hα-helixtrans-57.7-44.1175.1-74.6172-175.600111.4Q765 I772 L773Q765-E769 HydrophobicContact CG-CG 4.32Å; Q765-E769 VanDerWaalsContact CG-OE1 3.31Å; Q765-E769 WeakPolarHBondContact CG-OE1 3.35Å; Q765-E769 PolarHBondContact NE2-OE1 3.43Å; Q765-E769 WeakPolarHBondContact O-CB 3.28Å; Q765-E769 WeakPolarHBondContact O-CG 3.47Å; Q765-E769 PolarHBondContact O-N 2.83Å; E769-I772 PolarHBondContact O-N 2.8Å; E769-L773 WeakPolarHBondContact O-CG 3.19Å; E769-L773 PolarHBondContact O-N 3.15Å
770R93.5Very high92.8Very high155 Ų15590.3 Ų90.359%0.58546%0.456SS*.Hα-helixtrans-60.4-48.4174.8179.5178.4172.2-173.5-7.3112.4A766 E767 A768 I772 L773 E774A766-R770 VanDerWaalsContact O-CB 3.27Å; A766-R770 WeakPolarHBondContact O-CB 3.44Å; A766-R770 PolarHBondContact O-N 3.35Å; A766-R770 VanDerWaalsContact O-N 3.15Å; E767-R770 PolarHBondContact O-N 3.49Å; A768-R770 VanDerWaalsContact C-N 3.31Å; A768-R770 PolarHBondContact O-N 3.36Å; R770-I772 VanDerWaalsContact C-N 3.28Å; R770-I772 PolarHBondContact O-N 3.46Å; R770-L773 PolarHBondContact O-N 3.44Å; R770-L773 VanDerWaalsContact O-N 3.15Å; R770-E774 HydrophobicContact CG-CG 4.4Å; R770-E774 IonicContact CZ-OE1 2.67Å; R770-E774 IonicContact NE-OE1 3.05Å; R770-E774 PolarHBondContact NE-OE1 3.35Å; R770-E774 IonicContact NE-OE2 3.91Å; R770-E774 IonicContact NH2-OE1 2.71Å; R770-E774 PolarHBondContact NH2-OE1 3.49Å; R770-E774 WeakPolarHBondContact O-CG 3.44Å; R770-E774 PolarHBondContact O-N 2.8Å
771A92.7Very high92.7Very high24 Ų2488.9 Ų88.920%0.19845%0.451CS..Hα-helixtrans-62.8-34.2-178.800000112.7Q754 E767 A768 E775Q754-A771 HydrophobicContact CG-CB 4.37Å; E767-A771 WeakPolarHBondContact O-CB 3.32Å; E767-A771 PolarHBondContact O-N 3.49Å; A768-A771 PolarHBondContact O-N 2.8Å; A771-E775 PolarHBondContact O-N 3.03Å; A771-E775 VanDerWaalsContact O-N 3.15Å
772I95.7Very high92.5Very high50 Ų5087.5 Ų87.526%0.25645%0.445SS..Hα-helixtrans-70-40.5174.5-63.3160.3000110.8L751 Q754 A755 A768 E769 R770 E775 F776L751-I772 HydrophobicContact CB-CG2 4.44Å; L751-I772 HydrophobicContact CD2-CG2 3.98Å; L751-I772 WeakPolarHBondContact CD2-O 3.41Å; Q754-I772 HydrophobicContact CG-CG1 4.5Å; A755-I772 HydrophobicContact CB-CD1 3.63Å; A755-I772 HydrophobicContact CB-CG1 4.09Å; A768-I772 WeakPolarHBondContact O-CD1 3.15Å; A768-I772 VanDerWaalsContact O-CG1 3.27Å; A768-I772 WeakPolarHBondContact O-CG1 3.46Å; A768-I772 PolarHBondContact O-N 3.17Å; E769-I772 PolarHBondContact O-N 2.8Å; R770-I772 VanDerWaalsContact C-N 3.28Å; R770-I772 PolarHBondContact O-N 3.46Å; I772-E775 PolarHBondContact O-N 2.79Å; I772-F776 PolarHBondContact O-N 3.13Å
773L95.4Very high92.5Very high119 Ų11978.7 Ų78.762%0.62341%0.414SS*.Hα-helixtrans-68.1-35.7176.5-71.4169.9000112.7E769 R770 F776 G777E769-L773 WeakPolarHBondContact O-CG 3.19Å; E769-L773 PolarHBondContact O-N 3.15Å; R770-L773 PolarHBondContact O-N 3.44Å; R770-L773 VanDerWaalsContact O-N 3.15Å; L773-F776 PolarHBondContact O-N 3.38Å; L773-G777 PolarHBondContact O-N 3.33Å
774E94.8Very high92.5Very high90 Ų9080.1 Ų80.142%0.42142%0.424SS..Hα-helixtrans-65.7-44.5174.2-73.6176.2169.300111R770 F776 G777 H778R770-E774 HydrophobicContact CG-CG 4.4Å; R770-E774 IonicContact CZ-OE1 2.67Å; R770-E774 IonicContact NE-OE1 3.05Å; R770-E774 PolarHBondContact NE-OE1 3.35Å; R770-E774 IonicContact NE-OE2 3.91Å; R770-E774 IonicContact NH2-OE1 2.71Å; R770-E774 PolarHBondContact NH2-OE1 3.49Å; R770-E774 WeakPolarHBondContact O-CG 3.44Å; R770-E774 PolarHBondContact O-N 2.8Å; E774-F776 PolarHBondContact O-N 3.42Å; E774-G777 WeakPolarHBondContact O-CA 3.33Å; E774-G777 PolarHBondContact O-N 2.86Å; E774-G777 VanDerWaalsContact O-N 3.15Å; E774-H778 PolarHBondContact O-CD2 3.43Å; E774-H778 PolarHBondContact O-N 3.13Å
775E95.6Very high92.2Very high61 Ų6179 Ų7929%0.28542%0.417SS..Hα-helixtrans-63.6-35.7172.4-74.5-60.5156.600113.4L751 Q754 A771 I772 G777 H778 C779L751-E775 HydrophobicContact CD2-CB 4.24Å; Q754-E775 HydrophobicContact CB-CG 4Å; Q754-E775 HydrophobicContact CG-CB 4.36Å; Q754-E775 HydrophobicContact CG-CG 3.59Å; Q754-E775 VanDerWaalsContact NE2-CG 3.27Å; Q754-E775 PolarHBondContact NE2-OE1 3.06Å; A771-E775 PolarHBondContact O-N 3.03Å; A771-E775 VanDerWaalsContact O-N 3.15Å; I772-E775 PolarHBondContact O-N 2.79Å; E775-G777 VanDerWaalsContact C-N 3.3Å; E775-G777 PolarHBondContact O-N 3.07Å; E775-H778 PolarHBondContact O-N 3.09Å; E775-C779 PolarHBondContact O-N 3.43Å; E775-C779 PolarHBondContact O-SG 3.32Å
776F96.4Very high91.7Very high88 Ų8875.4 Ų75.439%0.38641%0.408SS..Hα-helixtrans-61.7-41.5172.8-174.2-125.6000111.3T747 L751 I772 L773 E774 C779 L780T747-F776 HydrophobicContact CG2-CD2 4.39Å; T747-F776 HydrophobicContact CG2-CE2 4.49Å; L751-F776 HydrophobicContact CD1-CD2 4.05Å; L751-F776 HydrophobicContact CD2-CB 3.78Å; I772-F776 PolarHBondContact O-N 3.13Å; L773-F776 PolarHBondContact O-N 3.38Å; E774-F776 PolarHBondContact O-N 3.42Å; F776-C779 PolarHBondContact O-N 3.44Å; F776-L780 HydrophobicContact CD1-CD1 4.03Å; F776-L780 HydrophobicContact CD2-CG 4.48Å; F776-L780 HydrophobicContact CE1-CD1 3.64Å; F776-L780 HydrophobicContact CE1-CG 4.37Å; F776-L780 HydrophobicContact CE2-CD1 4.32Å; F776-L780 HydrophobicContact CE2-CD2 4.34Å; F776-L780 HydrophobicContact CE2-CG 4.18Å; F776-L780 HydrophobicContact CZ-CD1 3.81Å; F776-L780 HydrophobicContact CZ-CD2 4.24Å; F776-L780 HydrophobicContact CZ-CG 4.12Å; F776-L780 WeakPolarHBondContact O-CG 3.33Å; F776-L780 PolarHBondContact O-N 2.95Å
777G95.8Very high91.2Very high37 Ų3773 Ų7338%0.38139%0.388SS..Hα-helixtrans-59.1-44.6171.500000112.9L773 E774 E775 L780 M781L773-G777 PolarHBondContact O-N 3.33Å; E774-G777 WeakPolarHBondContact O-CA 3.33Å; E774-G777 PolarHBondContact O-N 2.86Å; E774-G777 VanDerWaalsContact O-N 3.15Å; E775-G777 VanDerWaalsContact C-N 3.3Å; E775-G777 PolarHBondContact O-N 3.07Å; G777-L780 PolarHBondContact O-N 2.87Å; G777-M781 WeakPolarHBondContact O-CB 3.2Å; G777-M781 PolarHBondContact O-N 3.04Å
778H93.8Very high90.3Very high116 Ų11670.2 Ų70.254%0.53739%0.385SS..Hα-helixtrans-64.1-39.2176.3-74.5-63.6000113E774 E775 S782E774-H778 PolarHBondContact O-CD2 3.43Å; E774-H778 PolarHBondContact O-N 3.13Å; E775-H778 PolarHBondContact O-N 3.09Å; H778-S782 WeakPolarHBondContact O-CB 3.32Å; H778-S782 PolarHBondContact O-N 3.32Å; H778-S782 PolarHBondContact O-OG 2.99Å
779C93.7Very high89.3Confident16 Ų1675.4 Ų75.411%0.10840%0.404CS..Hα-helixtrans-64.1-50174.6-67.20000111.1T747 E775 F776 M781 S782 I783T747-C779 HydrophobicContact CG2-CB 3.83Å; E775-C779 PolarHBondContact O-N 3.43Å; E775-C779 PolarHBondContact O-SG 3.32Å; F776-C779 PolarHBondContact O-N 3.44Å; C779-M781 PolarHBondContact O-N 3.44Å; C779-S782 WeakPolarHBondContact O-CB 3.4Å; C779-S782 PolarHBondContact O-N 3.26Å; C779-I783 WeakPolarHBondContact O-CG1 3.28Å; C779-I783 PolarHBondContact O-N 3.24Å
780L92.4Very high87.7Confident76 Ų7672.9 Ų72.940%0.39840%0.4SS..Hα-helixtrans-58.8-45.7177.5-72.1176.5000112.1F776 G777 S782 I783 I784F776-L780 HydrophobicContact CD1-CD1 4.03Å; F776-L780 HydrophobicContact CD2-CG 4.48Å; F776-L780 HydrophobicContact CE1-CD1 3.64Å; F776-L780 HydrophobicContact CE1-CG 4.37Å; F776-L780 HydrophobicContact CE2-CD1 4.32Å; F776-L780 HydrophobicContact CE2-CD2 4.34Å; F776-L780 HydrophobicContact CE2-CG 4.18Å; F776-L780 HydrophobicContact CZ-CD1 3.81Å; F776-L780 HydrophobicContact CZ-CD2 4.24Å; F776-L780 HydrophobicContact CZ-CG 4.12Å; F776-L780 WeakPolarHBondContact O-CG 3.33Å; F776-L780 PolarHBondContact O-N 2.95Å; G777-L780 PolarHBondContact O-N 2.87Å; L780-S782 VanDerWaalsContact C-N 3.29Å; L780-S782 PolarHBondContact O-N 3.15Å; L780-I783 PolarHBondContact O-N 3.24Å; L780-I784 VanDerWaalsContact O-CG1 3.28Å; L780-I784 WeakPolarHBondContact O-CG1 3.35Å; L780-I784 PolarHBondContact O-N 2.9Å
781M89.3Confident86Confident127 Ų12772.5 Ų72.563%0.62640%0.402SS*.Hα-helixtrans-64.5-33.6178.5-166.461174.200112.2G777 C779 I784 S785G777-M781 WeakPolarHBondContact O-CB 3.2Å; G777-M781 PolarHBondContact O-N 3.04Å; C779-M781 PolarHBondContact O-N 3.44Å; M781-I784 PolarHBondContact O-N 3.28Å; M781-S785 WeakPolarHBondContact O-CB 3.29Å; M781-S785 PolarHBondContact O-N 2.94Å
782S86.8Confident84.4Confident70 Ų7075.6 Ų75.649%0.4942%0.419SS..Hα-helixtrans-69.8-38.2174.9-60.10000112.6H778 C779 L780 S785 S786H778-S782 WeakPolarHBondContact O-CB 3.32Å; H778-S782 PolarHBondContact O-N 3.32Å; H778-S782 PolarHBondContact O-OG 2.99Å; C779-S782 WeakPolarHBondContact O-CB 3.4Å; C779-S782 PolarHBondContact O-N 3.26Å; L780-S782 VanDerWaalsContact C-N 3.29Å; L780-S782 PolarHBondContact O-N 3.15Å; S782-S785 PolarHBondContact O-N 2.81Å; S782-S786 WeakPolarHBondContact O-CB 3.48Å; S782-S786 PolarHBondContact O-N 2.86Å; S782-S786 PolarHBondContact O-OG 3.4Å
783I89.2Confident82.3Confident38 Ų3878 Ų7820%0.19543%0.433CS..Hα-helixtrans-64.4-46.3173.1-66.6164.8000110V743 C779 L780 S786 A787V743-I783 HydrophobicContact CG1-CD1 3.67Å; V743-I783 HydrophobicContact CG1-CG1 3.79Å; C779-I783 WeakPolarHBondContact O-CG1 3.28Å; C779-I783 PolarHBondContact O-N 3.24Å; L780-I783 PolarHBondContact O-N 3.24Å; I783-S786 PolarHBondContact O-N 3.43Å; I783-A787 WeakPolarHBondContact O-CB 3.46Å; I783-A787 PolarHBondContact O-N 2.81Å
784I87.1Confident80.2Confident111 Ų11177.2 Ų77.257%0.56944%0.435SS*.Hα-helixtrans-61.5-45176.9-67.7164000111.1L780 M781 S786 A787 G788L780-I784 VanDerWaalsContact O-CG1 3.28Å; L780-I784 WeakPolarHBondContact O-CG1 3.35Å; L780-I784 PolarHBondContact O-N 2.9Å; M781-I784 PolarHBondContact O-N 3.28Å; I784-S786 VanDerWaalsContact C-N 3.34Å; I784-S786 PolarHBondContact O-N 2.75Å; I784-A787 PolarHBondContact O-N 2.82Å; I784-G788 PolarHBondContact O-N 2.91Å
785S84.1Confident77.9Confident54 Ų5476.5 Ų76.538%0.37845%0.445SS..Hα-helixtrans-61.8-41.7176.8-169.20000112M781 S782 G788 K789M781-S785 WeakPolarHBondContact O-CB 3.29Å; M781-S785 PolarHBondContact O-N 2.94Å; S782-S785 PolarHBondContact O-N 2.81Å; S785-G788 PolarHBondContact O-N 3.5Å; S785-K789 WeakPolarHBondContact O-CG 3.23Å; S785-K789 PolarHBondContact O-N 3.49Å
786S81.9Confident75.5Confident68 Ų6878 Ų7848%0.47646%0.462SS..Hα-helixtrans-67-43.6178.6-57.30000112.2S782 I783 I784 G788 K789 A790S782-S786 WeakPolarHBondContact O-CB 3.48Å; S782-S786 PolarHBondContact O-N 2.86Å; S782-S786 PolarHBondContact O-OG 3.4Å; I783-S786 PolarHBondContact O-N 3.43Å; I784-S786 VanDerWaalsContact C-N 3.34Å; I784-S786 PolarHBondContact O-N 2.75Å; S786-G788 VanDerWaalsContact C-N 3.27Å; S786-G788 PolarHBondContact O-N 3.28Å; S786-K789 PolarHBondContact O-N 2.91Å; S786-A790 PolarHBondContact O-N 2.83Å; S786-A790 VanDerWaalsContact O-N 3.13Å
787A79.6Confident73.2Confident24 Ų2480.5 Ų80.520%0.19848%0.478CS..Hα-helixtrans-64.4-31.6173.500000112.7F738 I783 I784F738-A787 HydrophobicContact CB-CB 4.29Å; F738-A787 HydrophobicContact CD1-CB 4Å; F738-A787 HydrophobicContact CD2-CB 3.78Å; F738-A787 HydrophobicContact CE1-CB 4.29Å; F738-A787 HydrophobicContact CE2-CB 4.08Å; F738-A787 HydrophobicContact CG-CB 3.74Å; F738-A787 HydrophobicContact CZ-CB 4.32Å; I783-A787 WeakPolarHBondContact O-CB 3.46Å; I783-A787 PolarHBondContact O-N 2.81Å; I784-A787 PolarHBondContact O-N 2.82Å
788G73.9Confident70.8Confident36 Ų3686 Ų8637%0.37150%0.499SS..Hα-helixtrans-66.1-52.8171.500000112.7I784 S785 S786 A790 K791 T792I784-G788 PolarHBondContact O-N 2.91Å; S785-G788 PolarHBondContact O-N 3.5Å; S786-G788 VanDerWaalsContact C-N 3.27Å; S786-G788 PolarHBondContact O-N 3.28Å; G788-A790 PolarHBondContact O-N 2.96Å; G788-K791 WeakPolarHBondContact O-CA 3.4Å; G788-K791 WeakPolarHBondContact O-CB 3.36Å; G788-K791 PolarHBondContact O-N 3.26Å; G788-T792 PolarHBondContact O-N 3.16Å; G788-T792 PolarHBondContact O-OG1 3.46Å
789K70.9Confident68Low127 Ų12790 Ų9055%0.55254%0.538SS*.Hα-helixtrans-58.8-46.2-178.6-72.2169.4-177.2174.20112.7S785 S786 K791 T792 D793S785-K789 WeakPolarHBondContact O-CG 3.23Å; S785-K789 PolarHBondContact O-N 3.49Å; S786-K789 PolarHBondContact O-N 2.91Å; K789-K791 PolarHBondContact O-N 3.48Å; K789-T792 WeakPolarHBondContact O-CA 3.27Å; K789-T792 WeakPolarHBondContact O-CB 3.19Å; K789-T792 PolarHBondContact O-N 3.18Å; K789-D793 PolarHBondContact O-N 2.89Å
790A60.4Low66.8Low44 Ų4493.7 Ų93.736%0.36456%0.559SS.*Hα-helixtrans-60.9-17.6175.900000114F738 S786 G788F738-A790 HydrophobicContact CE1-CB 3.65Å; F738-A790 HydrophobicContact CZ-CB 3.68Å; S786-A790 PolarHBondContact O-N 2.83Å; S786-A790 VanDerWaalsContact O-N 3.13Å; G788-A790 PolarHBondContact O-N 2.96Å
791K57.6Low65.4Low146 Ų14694.6 Ų94.664%0.63557%0.568SS**Hα-helixtrans-81.9-32.9172.3-137.4175.8-172.2179.60112.1G788 K789G788-K791 WeakPolarHBondContact O-CA 3.4Å; G788-K791 WeakPolarHBondContact O-CB 3.36Å; G788-K791 PolarHBondContact O-N 3.26Å; K789-K791 PolarHBondContact O-N 3.48Å
792T58.1Low64.1Low90 Ų9092.8 Ų92.855%0.55256%0.564SS**Hα-helixtrans-75.6-47.2176.2-360000111.7G788 K789 C794 A795G788-T792 PolarHBondContact O-N 3.16Å; G788-T792 PolarHBondContact O-OG1 3.46Å; K789-T792 WeakPolarHBondContact O-CA 3.27Å; K789-T792 WeakPolarHBondContact O-CB 3.19Å; K789-T792 PolarHBondContact O-N 3.18Å; T792-C794 PolarHBondContact O-N 3.25Å; T792-A795 WeakPolarHBondContact O-CB 3.36Å; T792-A795 PolarHBondContact O-N 3.4Å
793D51.5Low62.7Low101 Ų10194.2 Ų94.254%0.5457%0.569SS.*Hα-helixtrans-61.4-29-178.6-61.1-41.4000112.1K789 A795 S796K789-D793 PolarHBondContact O-N 2.89Å; D793-A795 VanDerWaalsContact C-N 3.27Å; D793-A795 PolarHBondContact O-N 3.38Å; D793-S796 PolarHBondContact O-N 3.38Å
794C50.7Low61.1Low101 Ų10197.7 Ų97.768%0.68259%0.592SS**THydrogen-bonded Turntrans-69.6-19.2174.3-167.80000113.8T792T792-C794 PolarHBondContact O-N 3.25Å
795A47.3Very low59.4Low76 Ų7696.8 Ų96.863%0.62859%0.594SS**THydrogen-bonded Turntrans-86.4-23.4176.200000112.5T792 D793 I797T792-A795 WeakPolarHBondContact O-CB 3.36Å; T792-A795 PolarHBondContact O-N 3.4Å; D793-A795 VanDerWaalsContact C-N 3.27Å; D793-A795 PolarHBondContact O-N 3.38Å; A795-I797 VanDerWaalsContact C-N 3.3Å; A795-I797 PolarHBondContact O-N 3.43Å
796S45.5Very low57.6Low91 Ų9199.9 Ų99.964%0.63661%0.609SS**THydrogen-bonded Turntrans-80.3-2.1-175.1-54.80000115.1D793D793-S796 PolarHBondContact O-N 3.38Å
797I48.7Very low55.7Low141 Ų141102.3 Ų102.372%0.72362%0.619SS**THydrogen-bonded Turntrans-100.7-4.5-173.1-68.9174.4000112.8A795A795-I797 VanDerWaalsContact C-N 3.3Å; A795-I797 PolarHBondContact O-N 3.43Å
798N45.1Very low53.7Low152 Ų152108.8 Ų108.881%0.81366%0.655SS**  trans-101.279.7170.8-88.212.3000111.2
799C35Very low51.9Low201 Ų201115.5 Ų115.5100%1.35868%0.68SS**  trans-146.80160.1-83.70000108.4

Retrieved 799 of 799 residues in 121.7 ms (Link to these results)