A0A096MKZ7_PAPAN Loading...

RING-type E3 ubiquitin transferase

AlphaFold DB , UniProt , Accession A0A096MKZ7, Species PAPAN (Papio anubis, Olive baboon), Gene MARCHF11, Length 402 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M43.5Very low37.8Very low234 Ų234142 Ų142100%1.15385%0.847SS**  083.40-63.6171.4177.200105.5
2S33.8Very low37.9Very low103 Ų103140.6 Ų140.672%0.7285%0.847SS**  cis77.3111.836.1-44.70000112.9
3F36.4Very low38.2Very low187 Ų187148.7 Ų148.782%0.8285%0.853SS**  trans67.7156161-71.9-115.5000117.2
4E41Very low37.8Very low172 Ų172143.4 Ų143.480%0.80485%0.847SS**  cis-164.3166.3-32.8-109.2-160.5126.500106.7
5G35.4Very low38Very low71 Ų71140.9 Ų140.973%0.73285%0.849SS**  cis-147.8-138.5-0.900000109.3
6G36.9Very low38.4Very low69 Ų69142.8 Ų142.871%0.71185%0.846SS**  cis154.771.9-5.200000115
7H40.7Very low38.5Very low207 Ų207141.8 Ų141.896%0.95885%0.848SS**  trans-158.8137.9164.7-97.1-98.7000107.1
8G35.3Very low39.1Very low79 Ų79146.1 Ų146.181%0.81485%0.847SS**  cis14791.11.600000109.5
9G35.7Very low39.5Very low82 Ų82146.9 Ų146.985%0.84585%0.848SS**  trans-167.3132-176.100000113.6
10S38.6Very low39.9Very low128 Ų128144.9 Ų144.990%0.89585%0.849SS**  trans-76.5148.2-161.2-68.80000116.8
11R38.1Very low40.6Very low230 Ų230146.7 Ų146.787%0.86885%0.85SS**  trans-85.3124.1173.2170.4-170.5-79.9174.4-8.4111.2
12C39.1Very low41.4Very low125 Ų125140.5 Ų140.585%0.84583%0.827SS**  trans-114142.8160.9-74.20000110.4
13R41.6Very low43Very low246 Ų246141 Ų14193%0.92883%0.828SS**  trans-92.7152.3174.2-54.3178.9-168.9-155.82.6109.4
14G33.1Very low44.1Very low74 Ų74138.2 Ų138.276%0.76383%0.828SS**  trans163.6112.8158.500000116.8
15A40.9Very low45.2Very low106 Ų106138.2 Ų138.288%0.87683%0.828SS**  trans64.9125.3148.300000121.3
16E44.3Very low46.8Very low172 Ų172140.1 Ų140.180%0.80483%0.828SS**  trans-57137160.4-75.8136.748.100112.6R18E16-R18 PolarHBondContact O-N 3.36Å
17S40.6Very low48.1Very low126 Ų126142.9 Ų142.988%0.88183%0.833SS**  trans-80.692.3164.256.10000110.1
18R49.4Very low49.2Very low218 Ų218141.4 Ų141.482%0.82383%0.827SS**  trans-82.2156.7162.2-87.2177.5154.7-177.2-7.3110.9E16E16-R18 PolarHBondContact O-N 3.36Å
19D45.8Very low50.6Low162 Ų162143.1 Ų143.187%0.86682%0.823SS**  trans-56.1138.2-172.9-51.6-93.8000113.5E21D19-E21 PolarHBondContact O-N 2.9Å
20A47.5Very low52.2Low106 Ų106144.8 Ų144.888%0.87682%0.819SS**  trans-87.2102175.700000110.6
21E55.3Low53.3Low184 Ų184144.1 Ų144.186%0.8681%0.812SS**PPolyproline II helixtrans-72.3137.6173-164.8173.795.800110.9D19D19-E21 PolarHBondContact O-N 2.9Å
22P59.3Low54.6Low104 Ų104138.6 Ų138.668%0.67581%0.806SS**PPolyproline II helixtrans-73.1155.5178.530.1-35000112.4
23P67.3Low55.3Low114 Ų114138.8 Ų138.874%0.7481%0.805SS**PPolyproline II helixtrans-67153.1-173.727.4-35.7000113.7
24P61Low55.6Low127 Ų127131 Ų13183%0.82580%0.802SS**PPolyproline II helixtrans-68.1141.6-174.827.6-35.4000113
25Q64.3Low55.9Low172 Ų172136.4 Ų136.480%0.80481%0.807SS**PPolyproline II helixtrans-73.4151173.9-69.2-170.9-4.800112
26P67.1Low56.2Low111 Ų111136.9 Ų136.972%0.72180%0.801SS**PPolyproline II helixtrans-66.4152.6174.628.8-35.3000112
27P64.7Low56.2Low128 Ų128133 Ų13383%0.83180%0.798SS**PPolyproline II helixtrans-66.6139-177.327.6-34.9000112.1
28Q64.6Low56.4Low176 Ų176133 Ų13382%0.82280%0.795SS**PPolyproline II helixtrans-75.9149.3175.3-66.5-156.5-5.100112
29P64.4Low56.4Low114 Ų114129.2 Ų129.274%0.7480%0.796SS**PPolyproline II helixtrans-67.5153.2176.629.1-35.4000111.9
30P68.6Low56.3Low117 Ų117128.9 Ų128.976%0.7679%0.794SS**PPolyproline II helixtrans-67.8152.1179.629.2-35.5000112.1
31P61.9Low56.1Low114 Ų114128.6 Ų128.674%0.7479%0.792SS**PPolyproline II helixtrans-67.1150.4176.429.2-35.1000111.6
32P66.4Low55.8Low115 Ų115125.3 Ų125.375%0.74778%0.784SS**PPolyproline II helixtrans-64.8152.1174.128.6-34.7000111.4
33P53.7Low55.2Low128 Ų128125.7 Ų125.783%0.83179%0.786SS**PPolyproline II helixtrans-64.1143.5178.928-34.7000111.2
34G46.9Very low54.3Low83 Ų83132 Ų13286%0.85680%0.795SS**PPolyproline II helixtrans-73.9136.1-175.300000113.8
35E39.7Very low53.7Low188 Ų188136.4 Ų136.488%0.87980%0.797SS**  trans-104.7159.9161.4-101.8-173.980.900110.4
36P47.6Very low53Low115 Ų115136.1 Ų136.175%0.74780%0.8SS**PPolyproline II helixtrans-72.8152.1-153.427.1-35.5000115
37A44.5Very low52.6Low90 Ų90139.4 Ų139.474%0.74481%0.806SS**PPolyproline II helixtrans-60.4131.7-175.400000113.5
38P44.1Very low51.9Low126 Ų126139.4 Ų139.482%0.81881%0.806SS**PPolyproline II helixtrans-69.6133.2160.729.6-31.5000109.6
39V49.3Very low51.8Low139 Ų139138.9 Ų138.984%0.84281%0.808SS**PPolyproline II helixtrans-57.5146-176.8177.90000111.9A41V39-A41 PolarHBondContact O-N 2.87Å; V39-A41 VanDerWaalsContact O-N 3.16Å
40L44.2Very low51.5Low156 Ų156139.1 Ų139.182%0.81781%0.809SS**  trans-44.6120173.5-90.976000111.9V42L40-V42 PolarHBondContact O-N 3.12Å; L40-V42 VanDerWaalsContact O-N 3.1Å
41A43.6Very low51.2Low100 Ų100137.8 Ų137.883%0.82681%0.808SS**  trans-69104158.300000108.4V39V39-A41 PolarHBondContact O-N 2.87Å; V39-A41 VanDerWaalsContact O-N 3.16Å
42V49.5Very low51.2Low114 Ų114138 Ų13869%0.69181%0.81SS**PPolyproline II helixtrans-54.5135.1175177.10000109.8L40 R44L40-V42 PolarHBondContact O-N 3.12Å; L40-V42 VanDerWaalsContact O-N 3.1Å; V42-R44 PolarHBondContact O-N 3.38Å
43P45.4Very low50.7Low112 Ų112138.6 Ų138.673%0.72781%0.814SS**PPolyproline II helixtrans-58.2116.2170.3-20.631.9000109.3Y45P43-Y45 PolarHBondContact O-N 2.67Å; P43-Y45 VanDerWaalsContact O-N 3.08Å
44R48.9Very low50.9Low247 Ų247136.8 Ų136.893%0.93281%0.809SS**PPolyproline II helixtrans-61.8117.3172.1-105.8-174.9170.2159.7-1.5108.1V42 L46V42-R44 PolarHBondContact O-N 3.38Å; R44-L46 PolarHBondContact O-N 3.34Å
45Y47.4Very low51.3Low220 Ų220138.1 Ų138.186%0.86380%0.803SS**PPolyproline II helixtrans-49.2134.9168.6-82.8-102000110P43 Q47P43-Y45 PolarHBondContact O-N 2.67Å; P43-Y45 VanDerWaalsContact O-N 3.08Å; Y45-Q47 PolarHBondContact O-N 2.9Å
46L50.3Low51.7Low165 Ų165135.2 Ų135.286%0.86480%0.8SS**PPolyproline II helixtrans-51.7129.4163.9-82.9140.2000109.1R44R44-L46 PolarHBondContact O-N 3.34Å
47Q59.3Low51.6Low181 Ų181136.5 Ų136.585%0.84681%0.805SS**PPolyproline II helixtrans-67.2137.4163.5-71.9-172.9-1.800108.8Y45 L49Y45-Q47 PolarHBondContact O-N 2.9Å; Q47-L49 PolarHBondContact O-N 3.48Å
48P49.4Very low51.5Low127 Ų127138.1 Ų138.183%0.82581%0.806SS**PPolyproline II helixtrans-62.8130.5170.3-20.432.7000110.8
49L63.1Low51.6Low165 Ų165138 Ų13886%0.86481%0.806SS**PPolyproline II helixtrans-63.8144.6165.7-84.7152.3000109.9Q47Q47-L49 PolarHBondContact O-N 3.48Å
50P57.9Low51.1Low119 Ų119140.5 Ų140.577%0.77381%0.808SS**PPolyproline II helixtrans-67145.6175.828.5-33.8000111.3
51A62.2Low50.6Low90 Ų90144.8 Ų144.874%0.74481%0.814SS**PPolyproline II helixtrans-66.7151.1-179.600000112.6
52P61.3Low50.5Low118 Ų118144.6 Ų144.677%0.76681%0.812SS**PPolyproline II helixtrans-66.8152.1174.129.3-35.4000111.8
53P56.8Low49.8Very low128 Ų128144.2 Ų144.283%0.83182%0.821SS**PPolyproline II helixtrans-68146.2-178.928.3-34.9000112.6
54A57.8Low49.3Very low89 Ų89142.4 Ų142.474%0.73682%0.822SS**PPolyproline II helixtrans-69.3152.717900000112.8
55P54.6Low49.9Very low112 Ų112136.9 Ų136.973%0.72782%0.818SS**PPolyproline II helixtrans-67.7154.4174.529.5-35.4000112.1
56P48Very low49.2Very low127 Ų127132 Ų13283%0.82582%0.816SS**PPolyproline II helixtrans-70.4138.2-175.228.4-34.9000112.8
57V45.5Very low48.5Very low141 Ų141132.8 Ų132.886%0.85582%0.816SS**PPolyproline II helixtrans-84.4123.3174-179.70000109.7
58T43.1Very low48.1Very low124 Ų124129.2 Ų129.276%0.76181%0.808SS**PPolyproline II helixtrans-92141164.8480000110.5
59P46.7Very low48.2Very low124 Ų124129.5 Ų129.581%0.80581%0.81SS**PPolyproline II helixtrans-74.9151.6-174.130.7-35.6000113.5
60E38.9Very low46.6Very low191 Ų191125.1 Ų125.189%0.89381%0.805SS**PPolyproline II helixtrans-61.1156.4175.4-77.7-178.363.200114.2
61R33.5Very low45.4Very low247 Ų247129.2 Ų129.293%0.93281%0.814SS**  trans-127.4124.9159.1-171.8170.3-176.2153.71.3109.5
62A41Very low44.2Very low95 Ų95131 Ų13179%0.78582%0.815SS**  trans-82.4144.8-166.600000115.7
63A34.9Very low42.9Very low107 Ų107130.4 Ų130.488%0.88482%0.82SS**  trans179.5139.9148.200000105.5
64G35Very low41.9Very low73 Ų73133 Ų13375%0.75382%0.821SS**  cis159.2154.715.400000105.7
65P61.5Low40.6Very low131 Ų131139.7 Ų139.785%0.85183%0.827SS**  trans-110.1152-153.938.4-32.4000116.7
66S32.9Very low39.6Very low117 Ų117144.9 Ų144.982%0.81883%0.832SS**  trans-164.7115.1152.557.40000114.2
67E36Very low39Very low183 Ų183151 Ų15186%0.85584%0.839SS**  trans-5.6167.9149.1-74.8-15398.200124.1
68P49.1Very low38.3Very low106 Ų106148 Ų14869%0.68884%0.836SS**  cis-139.4-145.2-35.447.5-28.3000111.2
69P52.6Low37.8Very low132 Ų132147 Ų14786%0.85784%0.841SS**  trans-114169.5-14725.21000116.3
70G29.8Very low37.2Very low74 Ų74149.3 Ų149.376%0.76385%0.847SS**  trans-155.391.6-178.800000116.8
71E32.7Very low37Very low205 Ų205149.6 Ų149.696%0.95885%0.848SS**  trans69.6155.5143.1-138.2162114.200123.2
72V37.3Very low37.3Very low127 Ų127145.5 Ų145.577%0.7784%0.843SS**  trans-114.8135.4-168.2168.30000110.3
73A33.2Very low37.3Very low106 Ų106146.2 Ų146.288%0.87684%0.84SS**  trans-147.4140.5159.300000111.8
74Q35.9Very low38.1Very low183 Ų183146.8 Ų146.886%0.85584%0.835SS**  trans-137.8118.3-163.7-178.9-173.325.400110.9
75R31.4Very low38.4Very low228 Ų228149 Ų14986%0.8684%0.836SS**  trans-162.1117.9157.4-118.9170.4-164.7-120.53.2117.5
76R33.6Very low37.6Very low222 Ų222148.6 Ų148.684%0.83883%0.833SS**  trans40.6104.1140.8-66.8-170.8176.9-147.51.3121.5
77R34.6Very low37.8Very low255 Ų255151.2 Ų151.296%0.96284%0.837SS**  24.2119.4111.8-169.1-169.4-63.5-153.51.5118.4
78G30.1Very low38.3Very low77 Ų77148 Ų14879%0.79483%0.832SS**  trans-171.1140155.900000108.5
79A33.9Very low37.4Very low104 Ų104151.3 Ų151.386%0.8684%0.843SS**  trans-117.9145.5-178.100000110.3
80D33.8Very low36.4Very low173 Ų173154 Ų15493%0.92584%0.844SS**  trans-116134.6173.9-92.1-67.8000109.9
81E33.3Very low37.8Very low196 Ų196156 Ų15692%0.91684%0.844SS**  trans-122.7148.2179.4-161.4173.210500109.9
82L39.8Very low37.7Very low161 Ų161151 Ų15184%0.84384%0.838SS**PPolyproline II helixtrans-90.9141.6-161-167.575000113.2
83P42.4Very low37.4Very low110 Ų110148.7 Ų148.771%0.71484%0.84SS**PPolyproline II helixtrans-85.8151.5-17833.1-35.3000115.1
84P50.6Low37.2Very low119 Ų119151.5 Ų151.577%0.77383%0.834SS**PPolyproline II helixtrans-95.8170.7179.838.1-36.5000115.1
85P42.5Very low37Very low120 Ų120150.1 Ų150.178%0.77983%0.828SS**PPolyproline II helixtrans-92.7165.8-17337.1-37000115.6
86P44.2Very low37Very low122 Ų122145 Ų14579%0.79282%0.822SS**PPolyproline II helixtrans-98.2162.8-17538.1-35.6000115.8
87L37.3Very low36.9Very low172 Ų172139.2 Ų139.290%0.90182%0.821SS**  trans-137.2167.9170.4-88.3178.8000110.6
88P45.9Very low36.7Very low115 Ų115131.7 Ų131.775%0.74781%0.814SS**  trans-102.3171.1-140.739.6-39.5000116.3
89L31Very low36.7Very low177 Ų177133.1 Ų133.193%0.92782%0.818SS**  trans-132.8153.6169.6-84.4166.8000112.5
90Q32.3Very low36.5Very low187 Ų187131.7 Ų131.787%0.87481%0.814SS**  trans-129.6176.4-179.7-114.3-153.511.900110
91P59Low36.3Very low118 Ų118131.1 Ų131.177%0.76681%0.811SS**  -121.2165.2-126.643-32.7000117.7
92A30.5Very low36.1Very low100 Ų100127.6 Ų127.683%0.82681%0.808SS**  trans-159.7136.5152.200000105.9
93G29.3Very low35.7Very low78 Ų78123.2 Ų123.280%0.80480%0.801SS**  84.6131.862.400000109.9
94Q29.8Very low35.2Very low164 Ų164127.7 Ų127.777%0.76681%0.813SS**  cis-167.2153.3-8.4166.6166.1-41.400108.2
95E31.4Very low34.2Very low154 Ų154125.2 Ų125.272%0.7281%0.808SS**  trans66.4154.7167.9-80.9170.296.400118
96V32.7Very low34.5Very low122 Ų122125.5 Ų125.574%0.73981%0.81SS**  cis-150.3153.110.2-126.20000111.6
97A31Very low33.8Very low99 Ų99130.9 Ų130.982%0.81882%0.815SS**  trans55.4149.9150.100000120.4
98A30.2Very low33.4Very low98 Ų98134.1 Ų134.181%0.8182%0.815SS**  cis-167.3173.4-18.900000106.1
99A30.1Very low32.8Very low106 Ų106136.2 Ų136.288%0.87682%0.819SS**  cis-150.5174.73.700000109.4
100G29.6Very low33.2Very low75 Ų75133.7 Ų133.777%0.77381%0.813SS**  trans175.3108.4173.300000112.8
101D30Very low33Very low161 Ų161132.8 Ų132.886%0.86181%0.809SS**  trans-75.2150.1-173.8-177.634.3000113.6
102S29.6Very low31.5Very low122 Ų122133.3 Ų133.385%0.85381%0.81SS**  trans-165.8100.6174.4-79.10000113.5
103G31.5Very low31.5Very low68 Ų68133.7 Ų133.770%0.70181%0.813SS**  trans-115.3161.3145.500000108.8
104E29.9Very low31.4Very low205 Ų205135 Ų13596%0.95882%0.816SS**  cis-156.9176.713.5-155.2164.399.800110.7
105G29.9Very low31.3Very low66 Ų66132.2 Ų132.268%0.6882%0.821SS**  trans-84.7-159.4-170.600000118.1
106P50.2Low31.1Very low126 Ų126135.3 Ų135.382%0.81883%0.832SS**  trans-118.3148.5-14139.9-31.2000116.7
107R28.9Very low30.8Very low235 Ų235133.6 Ų133.689%0.88784%0.839SS**  trans-150.2124.2165.4-73.7-160.9179.4165.25111.7
108R29.1Very low30.5Very low240 Ų240132.3 Ų132.391%0.90684%0.836SS**  70.3136.197-78.7-152.5-172.9-1675.7117.3
109L33.2Very low31.1Very low159 Ų159133.8 Ų133.883%0.83284%0.837SS**  trans-50.9160.7163.7-86.1122.5000114.3
110P39Very low30.9Very low125 Ų125132.4 Ų132.481%0.81283%0.833SS**  -132.5176.8113.339-30.9000115
111E27.1Very low30.8Very low168 Ų168137.5 Ų137.579%0.78584%0.837SS**  trans-114.3175.7-174.5-170.8179.277.300111.3
112V29Very low30.8Very low129 Ų129135.9 Ų135.978%0.78284%0.838SS**  trans61121163.3-890000121.4
113A29.3Very low30.8Very low107 Ų107139.4 Ų139.488%0.88484%0.841SS**  -154142.7122.900000110.4
114A28.1Very low30.7Very low106 Ų106141.4 Ų141.488%0.87685%0.851SS**  trans-118.8149.7179.100000111.3
115A27.2Very low30.5Very low105 Ų105137.5 Ų137.587%0.86885%0.847SS**  trans-144.4127.8167.200000111.2
116K27.7Very low30.5Very low219 Ų219139.2 Ų139.295%0.95285%0.854SS**  trans-83.9153.1169.7-75.9177.3167.8-178.40110
117G25.8Very low29.4Very low86 Ų86137.2 Ų137.289%0.88786%0.857SS**  trans166.7101.9160.100000116.1
118G24.2Very low29.4Very low73 Ų73129.9 Ų129.975%0.75385%0.854SS**  trans-150.9-176.1153.400000107.6
119P42.9Very low29.4Very low128 Ų128128.3 Ų128.383%0.83186%0.857SS**  cis-120.1-171.8-539.9-25.2000112.3
120G26.3Very low29.2Very low78 Ų78124.6 Ų124.680%0.80486%0.857SS**  trans-149.5123.2168.500000110.5
121E27.6Very low28.7Very low181 Ų181127.4 Ų127.485%0.84686%0.86SS**  trans-100.6157.8-172.1-58.9167.2131.600111.1
122S29.5Very low28.8Very low127 Ų127129.9 Ų129.989%0.88886%0.862SS**  trans-157.2138.2160.1-74.90000110.2
123E29.9Very low28.8Very low196 Ų196134.9 Ų134.992%0.91687%0.867SS**  trans-97.7160-161.6-52.8169.192.300113.5
124A29.2Very low28.6Very low110 Ų110133.6 Ų133.691%0.90986%0.863SS**  trans-165.3142136.400000110.9
125S26.8Very low28.6Very low124 Ų124133.7 Ų133.787%0.86786%0.864SS**  trans-120.8143.7-175.4176.50000111.7
126A30.1Very low28.6Very low101 Ų101131.8 Ų131.884%0.83586%0.855SS**  trans-166.6134.4149.400000110
127G26.6Very low28.6Very low85 Ų85129.6 Ų129.688%0.87685%0.854SS**  trans-99.9178.7-178.600000114.6
128G28.4Very low28.7Very low80 Ų80133.9 Ų133.983%0.82585%0.85SS**  trans174.5104.1173.100000112
129E29.4Very low29.4Very low208 Ų208134.5 Ų134.597%0.97284%0.841SS**  trans-82.9147.4174.5-64.2170.797.900111.1
130G29.5Very low28.7Very low81 Ų81136.5 Ų136.584%0.83584%0.839SS**  trans-175112.9177.100000113.6
131E28.9Very low28.8Very low184 Ų184137.8 Ų137.886%0.8683%0.832SS**  trans-107.9131.6-177.3173.9166.962.600112.3
132R28Very low29Very low220 Ų220140.4 Ų140.483%0.8383%0.834SS**  trans170.8141.6131.6-96.3172-174.6-139.31.3115
133R29.3Very low29Very low234 Ų234140.1 Ų140.188%0.88383%0.832SS**  trans6.6141.3132.2-50.8168.5-174.3-110.3-2.1116.6
134G25.4Very low29.3Very low79 Ų79136.6 Ų136.681%0.81482%0.824SS**  cis135.51128.500000111.7
135A28.8Very low29.3Very low108 Ų108137.7 Ų137.789%0.89382%0.823SS**  trans179.2146166.800000105.3
136G25.8Very low29.6Very low65 Ų65136.6 Ų136.667%0.6782%0.815SS**  cis121.594.712.700000108.8
137D28.7Very low29.9Very low174 Ų174136.7 Ų136.793%0.9381%0.81SS**  trans-170.8156.2142.9-110.1-40.4000114.1
138Q27.8Very low30.4Very low175 Ų175144 Ų14482%0.81881%0.811SS**  trans-109.8-174.3170.9-127.4-177.5106.800106.7
139P38.7Very low30.6Very low86 Ų86145.4 Ų145.456%0.55881%0.808SS**  cis-137.4-164.6-13.642.8-24.2000113
140E28.5Very low31.1Very low170 Ų170141.3 Ų141.379%0.79480%0.803SS**  trans61.9160.9151.6-69.7-171.7127.600119.5
141T28.4Very low31.7Very low106 Ų106143 Ų14365%0.6580%0.801SS**  cis-148.2166.7-14.615.90000110.5
142R31.4Very low32.3Very low235 Ų235140 Ų14089%0.88780%0.801SS**  trans-24.8136.1159.7-57.1163.1175.5128.2-2.9115.8
143S30Very low32.7Very low121 Ų121133.7 Ų133.785%0.84680%0.804SS**  -168144.6114.8-162.20000112.6
144V34.9Very low33Very low123 Ų123126.6 Ų126.675%0.74580%0.804SS**  trans-91.3140.9167.5174.60000108.1
145C30Very low33.7Very low133 Ų133126.4 Ų126.490%0.89980%0.802SS**  trans-161.6146.5144.9-114.40000112
146S32.9Very low34.2Very low100 Ų100129.2 Ų129.270%0.69980%0.802SS**  trans-102.8162.3-170.5-50.20000112.8
147S36.1Very low35.3Very low103 Ų103135.8 Ų135.872%0.7282%0.815SS**  trans81.1122.1142.7-62.50000121.2
148R36.6Very low36.1Very low239 Ų239138.9 Ų138.990%0.90281%0.814SS**  trans77.5101139.5-66.1172.6175-141.5-1120.4
149S34.5Very low36.9Very low110 Ų110136.5 Ų136.577%0.76982%0.816SS**  trans-153.3120.4131.921.20000108.2
150S38.9Very low36.8Very low122 Ų122135.4 Ų135.485%0.85382%0.82SS**  77.8104.784.8-57.90000112.6
151S42.4Very low37.5Very low115 Ų115136 Ų13680%0.80482%0.823SS**  trans-70.4132.7175.949.80000112.9
152S40.6Very low38.1Very low123 Ų123138.8 Ų138.886%0.8683%0.829SS**  trans-172.2122.2142.1-83.10000113
153G37Very low38.6Very low87 Ų87135.9 Ų135.990%0.89782%0.824SS**  trans26.1134.2150.200000123.4
154G34.8Very low39.2Very low84 Ų84136.3 Ų136.387%0.86681%0.813SS**  trans13998162.900000111.2
155G41.2Very low39.9Very low75 Ų75138.5 Ų138.577%0.77382%0.815SS**  trans-88.6149.5-175.100000113.2
156D38.7Very low41.6Very low167 Ų167139.8 Ų139.889%0.89381%0.808SS**  trans-143.6128.2147.3-112.1-38000109.7R158D156-R158 PolarHBondContact O-N 3.43Å; D156-R158 VanDerWaalsContact O-N 3.14Å
157Q49Very low43.8Very low203 Ų203142 Ų14295%0.94981%0.807SS**  trans-83.192.8-174.9-73171.188.800110
158R44.7Very low46.2Very low240 Ų240139.4 Ų139.491%0.90679%0.787SS**  trans-112.4113.3162.8-161.5164.4-172.6-138.9-0.8109.7D156 G160D156-R158 PolarHBondContact O-N 3.43Å; D156-R158 VanDerWaalsContact O-N 3.14Å; R158-G160 VanDerWaalsContact C-N 3.27Å; R158-G160 PolarHBondContact O-N 3.03Å
159S45.7Very low48.8Very low125 Ų125131.5 Ų131.587%0.87476%0.762SS**  trans-6485.9176.4-65.60000110.6
160G36.1Very low51.6Low62 Ų62126.3 Ų126.364%0.63973%0.726SS**  trans-66.5128.8159.700000108R158 Q162R158-G160 VanDerWaalsContact C-N 3.27Å; R158-G160 PolarHBondContact O-N 3.03Å; G160-Q162 PolarHBondContact O-N 2.83Å
161H44.3Very low54.2Low184 Ų184122 Ų12285%0.85269%0.692SS**  trans-50.8118.8164-84.7-92000107.8H163H161-H163 PolarHBondContact O-N 3.27Å
162Q40Very low56.6Low164 Ų164118.9 Ų118.977%0.76667%0.665SS**  trans-57.3111.1162.4-78.6-179.1-8.500106.2G160 Q164G160-Q162 PolarHBondContact O-N 2.83Å; Q162-Q164 PolarHBondContact O-N 3.46Å
163H42.1Very low59Low173 Ų173114.5 Ų114.580%0.80164%0.635SS**  trans-58.691.6147.4-89-88.3000105.3H161 H165H161-H163 PolarHBondContact O-N 3.27Å; H163-H165 VanDerWaalsContact C-N 3.29Å; H163-H165 PolarHBondContact O-N 2.71Å
164Q43.3Very low61.7Low131 Ų131117.8 Ų117.861%0.61263%0.625SS**  trans-56105.2164.9-75.6-177.8-1.800105.2Q162 H166Q162-Q164 PolarHBondContact O-N 3.46Å; Q164-H166 PolarHBondContact O-N 3.36Å; Q164-H166 PolarHBondContact O-ND1 3.25Å
165H48.5Very low64.4Low169 Ų169117.9 Ų117.978%0.78260%0.602SS**  trans-59.292161.9-89.9-93.9000105.6H163 Q167H163-H165 VanDerWaalsContact C-N 3.29Å; H163-H165 PolarHBondContact O-N 2.71Å; H165-Q167 VanDerWaalsContact C-N 3.32Å; H165-Q167 PolarHBondContact O-N 3.26Å
166H66.9Low66.6Low160 Ų160114.6 Ų114.674%0.74157%0.569SS**  trans-60.8102.1173.4-77.463.1000105.4Q164Q164-H166 PolarHBondContact O-N 3.36Å; Q164-H166 PolarHBondContact O-ND1 3.25Å
167Q78.6Confident68.8Low147 Ų147109.8 Ų109.869%0.68755%0.552SS**  trans-56139.9177.7-69-67.1-10.400107.9H165 I169H165-Q167 VanDerWaalsContact C-N 3.32Å; H165-Q167 PolarHBondContact O-N 3.26Å; Q167-I169 PolarHBondContact O-N 3.39Å
168P86.1Confident70.4Confident47 Ų47106.9 Ų106.931%0.30554%0.539SS..  trans-61125.4179.926.8-33.9000108.9L182 Y194P168-L182 HydrophobicContact CB-CD2 4.25Å; P168-L182 WeakPolarHBondContact O-CD2 3.44Å; P168-Y194 HydrophobicContact CB-CD1 3.92Å; P168-Y194 HydrophobicContact CB-CD2 3.73Å; P168-Y194 HydrophobicContact CB-CE1 3.97Å; P168-Y194 HydrophobicContact CB-CE2 3.8Å; P168-Y194 HydrophobicContact CB-CG 3.81Å
169I92Very high71.9Confident74 Ų74100 Ų10038%0.37952%0.517SS..  trans-107.8146176.857.4170000110.3Q167 K171 Q175 L182Q167-I169 PolarHBondContact O-N 3.39Å; I169-K171 PolarHBondContact O-N 3.12Å; I169-Q175 WeakPolarHBondContact CA-O 3.28Å; I169-L182 VanDerWaalsContact C-CD2 3.44Å
170C93.6Very high73.6Confident0 Ų095.5 Ų95.50%049%0.49CS..  trans-69.4123.2175.9173.10000110I172 C173 F174 Q175 L182 H196C170-I172 PolarHBondContact O-N 2.92Å; C170-C173 VanDerWaalsContact CB-SG 3.56Å; C170-F174 VanDerWaalsContact O-CA 3.25Å; C170-F174 WeakPolarHBondContact O-CA 3.39Å; C170-F174 PolarHBondContact O-N 2.89Å; C170-Q175 PolarHBondContact N-O 3.17Å; C170-L182 HydrophobicContact CB-CD2 4.3Å; C170-H196 VanDerWaalsContact CB-CE1 3.4Å; C170-H196 WeakPolarHBondContact CB-CE1 3.37Å; C170-H196 VanDerWaalsContact CB-ND1 3.35Å; C170-H196 WeakPolarHBondContact CB-ND1 3.31Å; C170-H196 PolarHBondContact SG-N 2.9Å; C170-H196 VanDerWaalsContact SG-N 3.38Å; C170-H196 PolarHBondContact SG-ND1 2.87Å; C170-H196 VanDerWaalsContact SG-ND1 3.41Å
171K93Very high76Confident33 Ų3399.9 Ų99.914%0.14349%0.494CS..THydrogen-bonded Turntrans-62.8-13.6-177.483-172.3-168.6169.20115.2I169 V192 Y194 T195I169-K171 PolarHBondContact O-N 3.12Å; K171-V192 WeakPolarHBondContact CD-O 3.28Å; K171-Y194 PolarHBondContact N-O 3.03Å; K171-T195 HydrophobicContact CD-CG2 3.94Å; K171-T195 HydrophobicContact CG-CG2 3.79Å
172I92.1Very high78.2Confident48 Ų4892.2 Ų92.225%0.24646%0.459CS..THydrogen-bonded Turntrans-97.2-45.7-173.6-61.5167.8000110.9C170 T195 C199 W203C170-I172 PolarHBondContact O-N 2.92Å; I172-T195 HydrophobicContact CD1-CG2 3.69Å; I172-T195 HydrophobicContact CG1-CG2 4.1Å; I172-C199 HydrophobicContact CB-CB 4.11Å; I172-C199 HydrophobicContact CD1-CB 3.92Å; I172-C199 HydrophobicContact CG2-CB 4.15Å; I172-W203 HydrophobicContact CD1-CB 4.03Å; I172-W203 HydrophobicContact CD1-CG 4.35Å
173C92.4Very high80.7Confident32 Ų3284.8 Ų84.822%0.21643%0.425CS..THydrogen-bonded Turntrans-109.6-3.1-176.168.90000113.9C170 Q175 H196C170-C173 VanDerWaalsContact CB-SG 3.56Å; C173-Q175 WeakPolarHBondContact O-CG 3.31Å; C173-Q175 PolarHBondContact O-N 3.33Å; C173-Q175 PolarHBondContact O-NE2 2.84Å; C173-H196 PolarHBondContact SG-CE1 2.81Å; C173-H196 PolarHBondContact SG-ND1 3.49Å
174F91.9Very high83.1Confident156 Ų15678.6 Ų78.668%0.68440%0.397SS*.  trans58.322.4179.3-54.4-80.8000115.3C170C170-F174 VanDerWaalsContact O-CA 3.25Å; C170-F174 WeakPolarHBondContact O-CA 3.39Å; C170-F174 PolarHBondContact O-N 2.89Å
175Q91.6Very high85.4Confident85 Ų8572.4 Ų72.440%0.39737%0.368SS..  trans-109.2160179.7-67.5151.963.600111.6I169 C170 C173I169-Q175 WeakPolarHBondContact CA-O 3.28Å; C170-Q175 PolarHBondContact N-O 3.17Å; C173-Q175 WeakPolarHBondContact O-CG 3.31Å; C173-Q175 PolarHBondContact O-N 3.33Å; C173-Q175 PolarHBondContact O-NE2 2.84Å
176G88.3Confident87.5Confident7 Ų764.5 Ų64.57%0.07233%0.332CS..  trans-85.9-155.7-174.700000113.8E178 Q179 L182 H196G176-E178 WeakPolarHBondContact CA-OE2 3.25Å; G176-E178 PolarHBondContact N-OE1 3.3Å; G176-E178 VanDerWaalsContact N-OE1 3.11Å; G176-E178 PolarHBondContact O-N 2.95Å; G176-Q179 PolarHBondContact O-OE1 3.14Å; G176-L182 WeakPolarHBondContact O-CD1 3.44Å; G176-H196 PolarHBondContact O-CE1 3.36Å; G176-H196 PolarHBondContact O-NE2 2.65Å
177A84.6Confident88.6Confident66 Ų6661.1 Ų61.155%0.54531%0.313SS..G310 helixtrans-74.8-9.7-179.500000113.8Q179 G180 L182A177-Q179 VanDerWaalsContact C-N 3.28Å; A177-Q179 PolarHBondContact O-N 3.07Å; A177-G180 CarbonylContact C-O 3.55Å; A177-G180 WeakPolarHBondContact CA-O 3.35Å; A177-G180 PolarHBondContact O-N 2.64Å; A177-G180 VanDerWaalsContact O-O 3.1Å; A177-L182 HydrophobicContact CB-CD1 3.78Å
178E82.2Confident89.2Confident142 Ų14254.7 Ų54.766%0.66428%0.284SS*.G310 helixtrans-71.9-15.8-174.768.2-70.8168.200114.4G176G176-E178 WeakPolarHBondContact CA-OE2 3.25Å; G176-E178 PolarHBondContact N-OE1 3.3Å; G176-E178 VanDerWaalsContact N-OE1 3.11Å; G176-E178 PolarHBondContact O-N 2.95Å
179Q77.4Confident89.3Confident95 Ų9557.8 Ų57.844%0.44430%0.298SS..G310 helixtrans-102.70172.9-5579.9200113.5G176 A177G176-Q179 PolarHBondContact O-OE1 3.14Å; A177-Q179 VanDerWaalsContact C-N 3.28Å; A177-Q179 PolarHBondContact O-N 3.07Å
180G81.5Confident89.1Confident30 Ų3056.5 Ų56.531%0.30930%0.303SS..SBendtrans151.3168.4177.700000113.4A177 H196A177-G180 CarbonylContact C-O 3.55Å; A177-G180 WeakPolarHBondContact CA-O 3.35Å; A177-G180 PolarHBondContact O-N 2.64Å; A177-G180 VanDerWaalsContact O-O 3.1Å; G180-H196 PolarHBondContact O-CD2 2.96Å; G180-H196 VanDerWaalsContact O-CD2 3.24Å; G180-H196 PolarHBondContact O-NE2 3.26Å
181E85.9Confident88.7Confident154 Ų15460.3 Ų60.372%0.7233%0.33SS*.  trans-64.6134.7178.2-171.1173.417800111.7
182L91.2Very high88.5Confident24 Ų2461.6 Ų61.613%0.12634%0.34CS..EExtended strand (participates in β ladder)trans-95.1125.5173.7-74.983.2000109.7P168 I169 C170 G176 A177 Y194P168-L182 HydrophobicContact CB-CD2 4.25Å; P168-L182 WeakPolarHBondContact O-CD2 3.44Å; I169-L182 VanDerWaalsContact C-CD2 3.44Å; C170-L182 HydrophobicContact CB-CD2 4.3Å; G176-L182 WeakPolarHBondContact O-CD1 3.44Å; A177-L182 HydrophobicContact CB-CD1 3.78Å; L182-Y194 HydrophobicContact CB-CD1 4.43Å; L182-Y194 HydrophobicContact CD2-CG 4.46Å
183L90.9Very high88.5Confident8 Ų862.8 Ų62.84%0.04234%0.341CS..EExtended strand (participates in β ladder)trans-112.1162.9174.459.5133.3000111.5P185 Y194 T195 Q197 V321 N323L183-P185 HydrophobicContact CD1-CB 3.89Å; L183-P185 HydrophobicContact CD1-CG 4.35Å; L183-P185 VanDerWaalsContact O-CD 3.24Å; L183-P185 WeakPolarHBondContact O-CD 3.37Å; L183-Y194 WeakPolarHBondContact O-CA 3.42Å; L183-T195 WeakPolarHBondContact CD2-O 3.3Å; L183-T195 WeakPolarHBondContact CG-O 3.43Å; L183-T195 PolarHBondContact N-O 3.31Å; L183-T195 PolarHBondContact O-N 3.06Å; L183-Q197 HydrophobicContact CD2-CB 3.76Å; L183-Q197 VanDerWaalsContact CD2-N 3.3Å; L183-V321 HydrophobicContact CD1-CB 3.64Å; L183-V321 HydrophobicContact CD1-CG1 3.37Å; L183-N323 WeakPolarHBondContact CA-OD1 3.16Å; L183-N323 WeakPolarHBondContact CB-OD1 3.27Å
184N92.2Very high88.4Confident42 Ų4264.3 Ų64.323%0.22534%0.343CS..  trans-108.581177.2-54.7-85.7000108.5C186 R193 Y194 N323 Y324N184-C186 PolarHBondContact O-N 2.96Å; N184-C186 VanDerWaalsContact O-N 3.14Å; N184-R193 WeakPolarHBondContact OD1-CD 3.32Å; N184-R193 VanDerWaalsContact OD1-CG 3.23Å; N184-R193 WeakPolarHBondContact OD1-CG 3.41Å; N184-Y194 VanDerWaalsContact OD1-CD1 3.28Å; N184-Y194 WeakPolarHBondContact OD1-CD1 3.32Å; N184-Y194 WeakPolarHBondContact OD1-CE1 3.1Å; N184-N323 PolarHBondContact N-OD1 2.86Å; N184-N323 PolarHBondContact ND2-OD1 2.67Å; N184-Y324 WeakPolarHBondContact O-CB 3.35Å; N184-Y324 PolarHBondContact O-N 3.44Å
185P92.2Very high88.5Confident1 Ų156.9 Ų56.91%0.00631%0.311CS..  trans-75.5-1.1-171.933.3-40.4000114.1L183 R193 T195 L200 Y219 V321L183-P185 HydrophobicContact CD1-CB 3.89Å; L183-P185 HydrophobicContact CD1-CG 4.35Å; L183-P185 VanDerWaalsContact O-CD 3.24Å; L183-P185 WeakPolarHBondContact O-CD 3.37Å; P185-R193 WeakPolarHBondContact CD-O 3.35Å; P185-T195 VanDerWaalsContact CD-OG1 3.3Å; P185-T195 WeakPolarHBondContact CD-OG1 3.15Å; P185-T195 WeakPolarHBondContact CG-OG1 3.13Å; P185-L200 HydrophobicContact CB-CD2 3.52Å; P185-L200 HydrophobicContact CG-CD1 4.18Å; P185-L200 HydrophobicContact CG-CD2 3.77Å; P185-Y219 HydrophobicContact CB-CD1 3.8Å; P185-Y219 HydrophobicContact CB-CE1 4.16Å; P185-Y219 HydrophobicContact CG-CD1 4.23Å; P185-Y219 HydrophobicContact CG-CE1 4.07Å; P185-V321 HydrophobicContact CB-CG1 4.03Å
186C92.6Very high88.6Confident3 Ų353.4 Ų53.42%0.0229%0.294CS..SBendtrans-157.3177.6-170.368.60000113.4N184 C188 C212 Y217 Y219N184-C186 PolarHBondContact O-N 2.96Å; N184-C186 VanDerWaalsContact O-N 3.14Å; C186-C188 VanDerWaalsContact C-N 3.27Å; C186-C188 PolarHBondContact O-N 2.88Å; C186-C212 HydrophobicContact CB-CB 3.98Å; C186-C212 VanDerWaalsContact SG-SG 3.64Å; C186-Y217 HydrophobicContact CB-CD1 4.07Å; C186-Y219 HydrophobicContact CB-CD1 4.36Å; C186-Y219 HydrophobicContact CB-CE1 4.03Å
187R91.3Very high88.6Confident90 Ų9055.1 Ų55.134%0.3430%0.3SS..SBendtrans-79.35-174.8-61.4168.5-171.9-108.62.5115.4C215 Y217 Y324 D329R187-C215 HydrophobicContact CB-CB 4.16Å; R187-Y217 HydrophobicContact CG-CD2 4.34Å; R187-Y217 HydrophobicContact CG-CG 4.15Å; R187-Y324 HydrophobicContact CB-CE1 4.5Å; R187-Y324 HydrophobicContact CG-CD1 4.31Å; R187-Y324 HydrophobicContact CG-CD2 4.26Å; R187-Y324 HydrophobicContact CG-CE1 3.83Å; R187-Y324 HydrophobicContact CG-CE2 3.75Å; R187-Y324 PolarHBondContact NH1-OH 3.42Å; R187-D329 IonicContact CZ-OD1 3.88Å; R187-D329 IonicContact CZ-OD2 3.74Å; R187-D329 IonicContact NH1-OD1 2.67Å; R187-D329 PolarHBondContact NH1-OD1 3.35Å; R187-D329 IonicContact NH1-OD2 3.93Å; R187-D329 PolarHBondContact NH1-OD2 2.92Å; R187-D329 IonicContact NH2-OD1 3.3Å; R187-D329 PolarHBondContact NH2-OD1 3.03Å; R187-D329 IonicContact NH2-OD2 2.81Å
188C90.6Very high88.8Confident12 Ų1258.3 Ų58.38%0.08131%0.308CS..  trans-65.7149.8-178.1-600000110.6C186 V192 R193 C212C186-C188 VanDerWaalsContact C-N 3.27Å; C186-C188 PolarHBondContact O-N 2.88Å; C188-V192 HydrophobicContact CB-CG2 4.15Å; C188-R193 HydrophobicContact CB-CB 4.31Å; C188-R193 WeakPolarHBondContact O-CB 3.27Å; C188-C212 VanDerWaalsContact SG-SG 3.62Å
189D88.3Confident89.2Confident111 Ų11153 Ų5359%0.59429%0.286SS*.  trans-109.8165.9176.7-83.4-50.2000111.9V192 R193D189-V192 WeakPolarHBondContact O-CG2 3.32Å; D189-R193 IonicContact OD1-CZ 3.49Å; D189-R193 IonicContact OD1-NH1 3.34Å; D189-R193 IonicContact OD1-NH2 3.53Å; D189-R193 PolarHBondContact OD1-NH2 2.79Å
190G87.7Confident89.9Confident47 Ų4748.5 Ų48.549%0.48527%0.265SS..SBendtrans71.2-155-17500000112.9R193G190-R193 VanDerWaalsContact O-CG 3.27Å; G190-R193 WeakPolarHBondContact O-CG 3.32Å; G190-R193 PolarHBondContact O-NE 3.15Å; G190-R193 VanDerWaalsContact O-NE 3.07Å
191S85.4Confident90.3Very high81 Ų8148.9 Ų48.957%0.56626%0.26SS*.G310 helixtrans-68.3-29.9-177.5510000114R193 Y194S191-R193 PolarHBondContact O-N 2.93Å; S191-Y194 PolarHBondContact O-N 2.69Å
192V88.9Confident90.5Very high59 Ų5947.8 Ų47.836%0.35825%0.252SS..G310 helixtrans-71.22.8-176.9-60.10000114.6K171 C188 D189K171-V192 WeakPolarHBondContact CD-O 3.28Å; C188-V192 HydrophobicContact CB-CG2 4.15Å; D189-V192 WeakPolarHBondContact O-CG2 3.32Å
193R91Very high90.5Very high73 Ų7349.7 Ų49.728%0.27526%0.258SS..G310 helixtrans-81-27174.877.917767.8-174.8-1.2113.5N184 P185 C188 D189 G190 S191N184-R193 WeakPolarHBondContact OD1-CD 3.32Å; N184-R193 VanDerWaalsContact OD1-CG 3.23Å; N184-R193 WeakPolarHBondContact OD1-CG 3.41Å; P185-R193 WeakPolarHBondContact CD-O 3.35Å; C188-R193 HydrophobicContact CB-CB 4.31Å; C188-R193 WeakPolarHBondContact O-CB 3.27Å; D189-R193 IonicContact OD1-CZ 3.49Å; D189-R193 IonicContact OD1-NH1 3.34Å; D189-R193 IonicContact OD1-NH2 3.53Å; D189-R193 PolarHBondContact OD1-NH2 2.79Å; G190-R193 VanDerWaalsContact O-CG 3.27Å; G190-R193 WeakPolarHBondContact O-CG 3.32Å; G190-R193 PolarHBondContact O-NE 3.15Å; G190-R193 VanDerWaalsContact O-NE 3.07Å; S191-R193 PolarHBondContact O-N 2.93Å
194Y91.7Very high90.4Very high65 Ų6549.5 Ų49.526%0.25526%0.257SS..  trans-91.4136.9-169.4-58.7-81.2000112.6P168 K171 L182 L183 N184 S191P168-Y194 HydrophobicContact CB-CD1 3.92Å; P168-Y194 HydrophobicContact CB-CD2 3.73Å; P168-Y194 HydrophobicContact CB-CE1 3.97Å; P168-Y194 HydrophobicContact CB-CE2 3.8Å; P168-Y194 HydrophobicContact CB-CG 3.81Å; K171-Y194 PolarHBondContact N-O 3.03Å; L182-Y194 HydrophobicContact CB-CD1 4.43Å; L182-Y194 HydrophobicContact CD2-CG 4.46Å; L183-Y194 WeakPolarHBondContact O-CA 3.42Å; N184-Y194 VanDerWaalsContact OD1-CD1 3.28Å; N184-Y194 WeakPolarHBondContact OD1-CD1 3.32Å; N184-Y194 WeakPolarHBondContact OD1-CE1 3.1Å; S191-Y194 PolarHBondContact O-N 2.69Å
195T92.9Very high90.1Very high0 Ų049.1 Ų49.10%026%0.258CS..EExtended strand (participates in β ladder)trans-147.9149.3175.747.70000111.4K171 I172 L183 P185 L200K171-T195 HydrophobicContact CD-CG2 3.94Å; K171-T195 HydrophobicContact CG-CG2 3.79Å; I172-T195 HydrophobicContact CD1-CG2 3.69Å; I172-T195 HydrophobicContact CG1-CG2 4.1Å; L183-T195 WeakPolarHBondContact CD2-O 3.3Å; L183-T195 WeakPolarHBondContact CG-O 3.43Å; L183-T195 PolarHBondContact N-O 3.31Å; L183-T195 PolarHBondContact O-N 3.06Å; P185-T195 VanDerWaalsContact CD-OG1 3.3Å; P185-T195 WeakPolarHBondContact CD-OG1 3.15Å; P185-T195 WeakPolarHBondContact CG-OG1 3.13Å; T195-L200 HydrophobicContact CG2-CD1 4.42Å
196H93.1Very high90Very high11 Ų1155 Ų555%0.05129%0.285CS..EExtended strand (participates in β ladder)trans-74.1149.7162.9-53.5119.3000111.5C170 C173 G176 G180 L198 C199 L200C170-H196 VanDerWaalsContact CB-CE1 3.4Å; C170-H196 WeakPolarHBondContact CB-CE1 3.37Å; C170-H196 VanDerWaalsContact CB-ND1 3.35Å; C170-H196 WeakPolarHBondContact CB-ND1 3.31Å; C170-H196 PolarHBondContact SG-N 2.9Å; C170-H196 VanDerWaalsContact SG-N 3.38Å; C170-H196 PolarHBondContact SG-ND1 2.87Å; C170-H196 VanDerWaalsContact SG-ND1 3.41Å; C173-H196 PolarHBondContact SG-CE1 2.81Å; C173-H196 PolarHBondContact SG-ND1 3.49Å; G176-H196 PolarHBondContact O-CE1 3.36Å; G176-H196 PolarHBondContact O-NE2 2.65Å; G180-H196 PolarHBondContact O-CD2 2.96Å; G180-H196 VanDerWaalsContact O-CD2 3.24Å; G180-H196 PolarHBondContact O-NE2 3.26Å; H196-L198 PolarHBondContact O-N 3.46Å; H196-C199 HydrophobicContact CB-CB 4.11Å; H196-C199 PolarHBondContact O-N 2.83Å; H196-L200 PolarHBondContact O-N 3.42Å
197Q89.8Confident89.9Confident44 Ų4462 Ų6221%0.20631%0.311CS..Hα-helixtrans-57-48.5179.9-173.5-172.6-1400112.1L183 L200 L201 H318 W319 V321L183-Q197 HydrophobicContact CD2-CB 3.76Å; L183-Q197 VanDerWaalsContact CD2-N 3.3Å; Q197-L200 PolarHBondContact O-N 3.14Å; Q197-L201 HydrophobicContact CG-CD1 4.2Å; Q197-L201 VanDerWaalsContact O-CG 3.3Å; Q197-L201 WeakPolarHBondContact O-CG 3.24Å; Q197-L201 PolarHBondContact O-N 3.02Å; Q197-H318 PolarHBondContact NE2-NE2 2.92Å; Q197-W319 PolarHBondContact NE2-O 3.09Å; Q197-V321 HydrophobicContact CG-CB 4.48Å; Q197-V321 HydrophobicContact CG-CG2 4.06Å
198L88.6Confident89.7Confident133 Ų13359.6 Ų59.670%0.69631%0.314SS*.Hα-helixtrans-65.5-39.5178.5-63176.7000112.3H196 K202H196-L198 PolarHBondContact O-N 3.46Å; L198-K202 VanDerWaalsContact O-CB 3.29Å; L198-K202 WeakPolarHBondContact O-CB 3.46Å; L198-K202 PolarHBondContact O-N 2.88Å
199C90.9Very high89.6Confident30 Ų3061 Ų6120%0.20332%0.324CS..Hα-helixtrans-63.9-42.9177-700000111.5I172 H196 W203I172-C199 HydrophobicContact CB-CB 4.11Å; I172-C199 HydrophobicContact CD1-CB 3.92Å; I172-C199 HydrophobicContact CG2-CB 4.15Å; H196-C199 HydrophobicContact CB-CB 4.11Å; H196-C199 PolarHBondContact O-N 2.83Å; C199-W203 WeakPolarHBondContact O-CB 3.37Å; C199-W203 PolarHBondContact O-N 2.77Å
200L91.6Very high89.6Confident0 Ų059 Ų590%031%0.308CS..Hα-helixtrans-67.9-44.6177.9-171.575.6000112.1P185 T195 H196 Q197 K202 W203 I204 Y219 V321P185-L200 HydrophobicContact CB-CD2 3.52Å; P185-L200 HydrophobicContact CG-CD1 4.18Å; P185-L200 HydrophobicContact CG-CD2 3.77Å; T195-L200 HydrophobicContact CG2-CD1 4.42Å; H196-L200 PolarHBondContact O-N 3.42Å; Q197-L200 PolarHBondContact O-N 3.14Å; L200-K202 VanDerWaalsContact C-N 3.31Å; L200-K202 PolarHBondContact O-N 3.36Å; L200-W203 WeakPolarHBondContact O-CB 3.43Å; L200-W203 PolarHBondContact O-N 3.47Å; L200-I204 HydrophobicContact CD2-CD1 4.21Å; L200-I204 HydrophobicContact CG-CD1 3.92Å; L200-I204 HydrophobicContact CG-CG1 4.4Å; L200-I204 VanDerWaalsContact O-CG1 3.3Å; L200-I204 WeakPolarHBondContact O-CG1 3.23Å; L200-I204 PolarHBondContact O-N 2.76Å; L200-Y219 HydrophobicContact CD1-CD1 4.46Å; L200-Y219 HydrophobicContact CD1-CE1 3.97Å; L200-Y219 HydrophobicContact CD1-CE2 4.08Å; L200-Y219 HydrophobicContact CD2-CD1 4.27Å; L200-Y219 HydrophobicContact CD2-CG 4.33Å; L200-V321 HydrophobicContact CD2-CB 4.48Å; L200-V321 HydrophobicContact CD2-CG1 3.63Å; L200-V321 HydrophobicContact CD2-CG2 4.23Å
201L89.6Confident89.8Confident39 Ų3959.8 Ų59.820%0.20430%0.303CS..Hα-helixtrans-61.4-40.8177.7-70.8170.5000111.6Q197 S205 V221 W319 V321Q197-L201 HydrophobicContact CG-CD1 4.2Å; Q197-L201 VanDerWaalsContact O-CG 3.3Å; Q197-L201 WeakPolarHBondContact O-CG 3.24Å; Q197-L201 PolarHBondContact O-N 3.02Å; L201-S205 WeakPolarHBondContact O-CB 3.32Å; L201-S205 PolarHBondContact O-N 2.79Å; L201-V221 HydrophobicContact CD2-CG1 3.76Å; L201-W319 HydrophobicContact CD1-CB 4.02Å; L201-W319 HydrophobicContact CD2-CB 4.08Å; L201-V321 HydrophobicContact CD2-CG2 4.02Å; L201-V321 HydrophobicContact CG-CG2 4.08Å
202K89.1Confident90.1Very high131 Ų13156 Ų5657%0.5728%0.277SS*.Hα-helixtrans-60.9-49.2172.3-179.4173174.9176.50111.3L198 L200 I204 S205 E206L198-K202 VanDerWaalsContact O-CB 3.29Å; L198-K202 WeakPolarHBondContact O-CB 3.46Å; L198-K202 PolarHBondContact O-N 2.88Å; L200-K202 VanDerWaalsContact C-N 3.31Å; L200-K202 PolarHBondContact O-N 3.36Å; K202-I204 PolarHBondContact O-N 2.85Å; K202-S205 WeakPolarHBondContact O-CB 3.14Å; K202-S205 PolarHBondContact O-N 3.46Å; K202-S205 VanDerWaalsContact O-N 3.13Å; K202-E206 WeakPolarHBondContact CE-OE1 3.11Å; K202-E206 HydrophobicContact CG-CG 4.33Å; K202-E206 IonicContact NZ-OE1 2.84Å; K202-E206 WeakPolarHBondContact O-CG 3.28Å; K202-E206 PolarHBondContact O-N 3.34Å
203W91.4Very high90.2Very high63 Ų6358 Ų5824%0.23928%0.282CS..Hα-helixtrans-58.3-44.2177.9-176.8-98.6000113.2I172 C199 L200 E206 R207 E213I172-W203 HydrophobicContact CD1-CB 4.03Å; I172-W203 HydrophobicContact CD1-CG 4.35Å; C199-W203 WeakPolarHBondContact O-CB 3.37Å; C199-W203 PolarHBondContact O-N 2.77Å; L200-W203 WeakPolarHBondContact O-CB 3.43Å; L200-W203 PolarHBondContact O-N 3.47Å; W203-E206 PolarHBondContact O-N 3.03Å; W203-R207 HydrophobicContact CD2-CG 3.95Å; W203-R207 HydrophobicContact CG-CG 4.27Å; W203-R207 HydrophobicContact CZ2-CG 4.05Å; W203-R207 VanDerWaalsContact O-CB 3.28Å; W203-R207 WeakPolarHBondContact O-CB 3.46Å; W203-R207 WeakPolarHBondContact O-CG 3.35Å; W203-R207 PolarHBondContact O-N 3.3Å; W203-E213 WeakPolarHBondContact CZ2-OE1 3.44Å; W203-E213 WeakPolarHBondContact CZ2-OE2 3.25Å
204I90.6Very high90.3Very high5 Ų559.3 Ų59.33%0.02629%0.294CS..Hα-helixtrans-61.1-44.6175.2-68.8166.5000110.4L200 K202 E206 G208 S209 W210 Y219 V221L200-I204 HydrophobicContact CD2-CD1 4.21Å; L200-I204 HydrophobicContact CG-CD1 3.92Å; L200-I204 HydrophobicContact CG-CG1 4.4Å; L200-I204 VanDerWaalsContact O-CG1 3.3Å; L200-I204 WeakPolarHBondContact O-CG1 3.23Å; L200-I204 PolarHBondContact O-N 2.76Å; K202-I204 PolarHBondContact O-N 2.85Å; I204-E206 PolarHBondContact O-N 3.14Å; I204-G208 WeakPolarHBondContact O-CA 3.3Å; I204-G208 PolarHBondContact O-N 2.88Å; I204-S209 PolarHBondContact O-N 2.87Å; I204-W210 HydrophobicContact CD1-CE3 4.24Å; I204-W210 HydrophobicContact CD1-CZ3 4.44Å; I204-W210 HydrophobicContact CG2-CD2 3.66Å; I204-W210 HydrophobicContact CG2-CE3 3.66Å; I204-W210 HydrophobicContact CG2-CG 4.27Å; I204-W210 HydrophobicContact CG2-CH2 4.02Å; I204-W210 HydrophobicContact CG2-CZ2 4.02Å; I204-W210 HydrophobicContact CG2-CZ3 3.84Å; I204-Y219 HydrophobicContact CD1-CD2 3.61Å; I204-Y219 HydrophobicContact CD1-CE2 4.27Å; I204-Y219 HydrophobicContact CD1-CG 4.21Å; I204-Y219 HydrophobicContact CG1-CD2 3.81Å; I204-Y219 HydrophobicContact CG1-CE2 4.04Å; I204-V221 HydrophobicContact CD1-CG2 4.2Å
205S85.9Confident90.2Very high34 Ų3457.4 Ų57.424%0.23829%0.291CS..Hα-helixtrans-65.5-34.8177.7-179.80000113.3L201 K202 M397 V399L201-S205 WeakPolarHBondContact O-CB 3.32Å; L201-S205 PolarHBondContact O-N 2.79Å; K202-S205 WeakPolarHBondContact O-CB 3.14Å; K202-S205 PolarHBondContact O-N 3.46Å; K202-S205 VanDerWaalsContact O-N 3.13Å; S205-M397 PolarHBondContact OG-O 3.35Å; S205-M397 VanDerWaalsContact OG-O 3.09Å; S205-V399 PolarHBondContact OG-N 3.06Å
206E89.1Confident90Very high125 Ų12561.6 Ų61.658%0.58432%0.319SS*.Hα-helixtrans-80.1-42-179.3-73.5175.2161.700112.1K202 W203 I204K202-E206 WeakPolarHBondContact CE-OE1 3.11Å; K202-E206 HydrophobicContact CG-CG 4.33Å; K202-E206 IonicContact NZ-OE1 2.84Å; K202-E206 WeakPolarHBondContact O-CG 3.28Å; K202-E206 PolarHBondContact O-N 3.34Å; W203-E206 PolarHBondContact O-N 3.03Å; I204-E206 PolarHBondContact O-N 3.14Å
207R89.6Confident89.9Confident149 Ų14963.5 Ų63.556%0.56233%0.326SS*.Hα-helixtrans-77.9-23.2177.7-66.4-63.5-137167.612.3113.4W203 S209 E213W203-R207 HydrophobicContact CD2-CG 3.95Å; W203-R207 HydrophobicContact CG-CG 4.27Å; W203-R207 HydrophobicContact CZ2-CG 4.05Å; W203-R207 VanDerWaalsContact O-CB 3.28Å; W203-R207 WeakPolarHBondContact O-CB 3.46Å; W203-R207 WeakPolarHBondContact O-CG 3.35Å; W203-R207 PolarHBondContact O-N 3.3Å; R207-S209 VanDerWaalsContact C-N 3.29Å; R207-S209 PolarHBondContact O-N 3.4Å; R207-E213 IonicContact CZ-OE2 2.67Å; R207-E213 IonicContact NE-OE2 3.68Å; R207-E213 IonicContact NH2-OE2 3.99Å; R207-E213 PolarHBondContact NH2-OE2 2.82Å
208G87.3Confident89.8Confident39 Ų3968.8 Ų68.840%0.40234%0.344SS..THydrogen-bonded Turntrans62.735.6-171.100000112.6I204I204-G208 WeakPolarHBondContact O-CA 3.3Å; I204-G208 PolarHBondContact O-N 2.88Å
209S88.6Confident89.8Confident42 Ų4262.6 Ų62.629%0.29431%0.311SS..  trans-139.4128.3-179.5179.70000112.2I204 R207 T211I204-S209 PolarHBondContact O-N 2.87Å; R207-S209 VanDerWaalsContact C-N 3.29Å; R207-S209 PolarHBondContact O-N 3.4Å; S209-T211 VanDerWaalsContact C-N 3.3Å; S209-T211 PolarHBondContact OG-N 3.5Å; S209-T211 PolarHBondContact OG-OG1 2.88Å
210W89.4Confident89.6Confident70 Ų7065 Ų6527%0.26532%0.319SS..SBendtrans-88.89.6176-59.488.3000113.1I204 R218 Y219 V221I204-W210 HydrophobicContact CD1-CE3 4.24Å; I204-W210 HydrophobicContact CD1-CZ3 4.44Å; I204-W210 HydrophobicContact CG2-CD2 3.66Å; I204-W210 HydrophobicContact CG2-CE3 3.66Å; I204-W210 HydrophobicContact CG2-CG 4.27Å; I204-W210 HydrophobicContact CG2-CH2 4.02Å; I204-W210 HydrophobicContact CG2-CZ2 4.02Å; I204-W210 HydrophobicContact CG2-CZ3 3.84Å; W210-R218 CarbonylContact O-C 3.57Å; W210-R218 WeakPolarHBondContact O-CA 3.38Å; W210-Y219 VanDerWaalsContact O-CD2 3.32Å; W210-Y219 WeakPolarHBondContact O-CD2 3.47Å; W210-Y219 PolarHBondContact O-N 3.34Å; W210-V221 HydrophobicContact CE3-CG2 4.1Å; W210-V221 HydrophobicContact CZ3-CB 4Å; W210-V221 HydrophobicContact CZ3-CG1 4.38Å; W210-V221 HydrophobicContact CZ3-CG2 3.84Å
211T91.1Very high89.3Confident62 Ų6266.2 Ų66.238%0.3833%0.327SS..BIsolated β-bridgetrans-114.9150.817957.60000112.3S209 Y217 R218 Y219S209-T211 VanDerWaalsContact C-N 3.3Å; S209-T211 PolarHBondContact OG-N 3.5Å; S209-T211 PolarHBondContact OG-OG1 2.88Å; T211-Y217 CarbonylContact C-O 3.59Å; T211-Y217 WeakPolarHBondContact CA-O 3.35Å; T211-R218 HydrophobicContact CG2-CB 4.2Å; T211-R218 HydrophobicContact CG2-CG 4.34Å; T211-Y219 WeakPolarHBondContact O-CE2 3.33Å
212C91.6Very high88.8Confident1 Ų167.5 Ų67.51%0.00733%0.333CS..  trans-74.3125.6175-1730000111.2C186 C188 L214 C215 C216 Y217 Y219C186-C212 HydrophobicContact CB-CB 3.98Å; C186-C212 VanDerWaalsContact SG-SG 3.64Å; C188-C212 VanDerWaalsContact SG-SG 3.62Å; C212-L214 PolarHBondContact O-N 2.98Å; C212-C215 VanDerWaalsContact SG-SG 3.68Å; C212-C216 WeakPolarHBondContact O-CA 3.4Å; C212-C216 PolarHBondContact O-N 3.03Å; C212-Y217 PolarHBondContact N-O 3.41Å; C212-Y219 WeakPolarHBondContact CA-OH 3.5Å; C212-Y219 HydrophobicContact CB-CE1 3.75Å
213E92.1Very high88.2Confident101 Ų10163.9 Ų63.947%0.47233%0.328SS..THydrogen-bonded Turntrans-66.5-14.8-178.270.2-161.5152.800114.5W203 R207W203-E213 WeakPolarHBondContact CZ2-OE1 3.44Å; W203-E213 WeakPolarHBondContact CZ2-OE2 3.25Å; R207-E213 IonicContact CZ-OE2 2.67Å; R207-E213 IonicContact NE-OE2 3.68Å; R207-E213 IonicContact NH2-OE2 3.99Å; R207-E213 PolarHBondContact NH2-OE2 2.82Å
214L91.8Very high87.2Confident101 Ų10164.8 Ų64.853%0.52934%0.336SS..THydrogen-bonded Turntrans-97.7-55.2177.2-61.695.9000112.7C212C212-L214 PolarHBondContact O-N 2.98Å
215C90Very high86.1Confident26 Ų2671.9 Ų71.918%0.17637%0.367CS..THydrogen-bonded Turntrans-101.54.7-174.264.50000114.4R187 C212 Y217R187-C215 HydrophobicContact CB-CB 4.16Å; C212-C215 VanDerWaalsContact SG-SG 3.68Å; C215-Y217 PolarHBondContact O-N 3.13Å
216C89.9Confident85.4Confident87 Ų8775 Ų7559%0.58838%0.379SS*.  trans56.84.9-178.1-60.70000116.1C212C212-C216 WeakPolarHBondContact O-CA 3.4Å; C212-C216 PolarHBondContact O-N 3.03Å
217Y89.1Confident84.7Confident52 Ų5272.5 Ų72.520%0.20437%0.366CS..PPolyproline II helixtrans-68.6136.6179.7-175.5-109.6000111.9C186 R187 T211 C212 C215 Y324C186-Y217 HydrophobicContact CB-CD1 4.07Å; R187-Y217 HydrophobicContact CG-CD2 4.34Å; R187-Y217 HydrophobicContact CG-CG 4.15Å; T211-Y217 CarbonylContact C-O 3.59Å; T211-Y217 WeakPolarHBondContact CA-O 3.35Å; C212-Y217 PolarHBondContact N-O 3.41Å; C215-Y217 PolarHBondContact O-N 3.13Å; Y217-Y324 HydrophobicContact CD1-CD2 4.25Å; Y217-Y324 AromaticContact CE1-CD2 3.59Å; Y217-Y324 HydrophobicContact CE1-CD2 3.59Å; Y217-Y324 HydrophobicContact CE1-CE2 4.34Å; Y217-Y324 HydrophobicContact CE1-CG 4.35Å; Y217-Y324 HydrophobicContact CE2-CD2 4.19Å; Y217-Y324 HydrophobicContact CE2-CE2 4.15Å; Y217-Y324 AromaticContact CZ-CD2 3.55Å; Y217-Y324 AromaticContact CZ-CE2 3.95Å
218R88.7Confident83.9Confident154 Ų15472.5 Ų72.558%0.58137%0.373SS*.BIsolated β-bridgetrans-78.8121.6178.4-167.6172.26683.91.4110.5W210 T211W210-R218 CarbonylContact O-C 3.57Å; W210-R218 WeakPolarHBondContact O-CA 3.38Å; T211-R218 HydrophobicContact CG2-CB 4.2Å; T211-R218 HydrophobicContact CG2-CG 4.34Å
219Y89.4Confident83.1Confident3 Ų375 Ų751%0.01238%0.382CS..PPolyproline II helixtrans-62.1137.8179-57.2-55.2000111P185 C186 L200 I204 W210 T211 C212 V221P185-Y219 HydrophobicContact CB-CD1 3.8Å; P185-Y219 HydrophobicContact CB-CE1 4.16Å; P185-Y219 HydrophobicContact CG-CD1 4.23Å; P185-Y219 HydrophobicContact CG-CE1 4.07Å; C186-Y219 HydrophobicContact CB-CD1 4.36Å; C186-Y219 HydrophobicContact CB-CE1 4.03Å; L200-Y219 HydrophobicContact CD1-CD1 4.46Å; L200-Y219 HydrophobicContact CD1-CE1 3.97Å; L200-Y219 HydrophobicContact CD1-CE2 4.08Å; L200-Y219 HydrophobicContact CD2-CD1 4.27Å; L200-Y219 HydrophobicContact CD2-CG 4.33Å; I204-Y219 HydrophobicContact CD1-CD2 3.61Å; I204-Y219 HydrophobicContact CD1-CE2 4.27Å; I204-Y219 HydrophobicContact CD1-CG 4.21Å; I204-Y219 HydrophobicContact CG1-CD2 3.81Å; I204-Y219 HydrophobicContact CG1-CE2 4.04Å; W210-Y219 VanDerWaalsContact O-CD2 3.32Å; W210-Y219 WeakPolarHBondContact O-CD2 3.47Å; W210-Y219 PolarHBondContact O-N 3.34Å; T211-Y219 WeakPolarHBondContact O-CE2 3.33Å; C212-Y219 WeakPolarHBondContact CA-OH 3.5Å; C212-Y219 HydrophobicContact CB-CE1 3.75Å; Y219-V221 PolarHBondContact O-N 2.87Å
220H85.8Confident82.1Confident81 Ų8178.9 Ų78.938%0.37541%0.408SS..  trans-100.483.3-175.3-141.1-92.7000110.7L322H220-L322 HydrophobicContact CB-CB 4.28Å; H220-L322 PolarHBondContact O-N 3.21Å
221V84.4Confident81.2Confident26 Ų2681.3 Ų81.316%0.15842%0.422CS..EExtended strand (participates in β ladder)trans-98.5127.2-178.6-167.90000109.7L201 I204 W210 Y219 W319 D320 V321L201-V221 HydrophobicContact CD2-CG1 3.76Å; I204-V221 HydrophobicContact CD1-CG2 4.2Å; W210-V221 HydrophobicContact CE3-CG2 4.1Å; W210-V221 HydrophobicContact CZ3-CB 4Å; W210-V221 HydrophobicContact CZ3-CG1 4.38Å; W210-V221 HydrophobicContact CZ3-CG2 3.84Å; Y219-V221 PolarHBondContact O-N 2.87Å; V221-W319 HydrophobicContact CG1-CB 4.13Å; V221-W319 HydrophobicContact CG1-CE3 3.99Å; V221-D320 CarbonylContact C-O 3.55Å; V221-D320 WeakPolarHBondContact CA-O 3.34Å; V221-D320 WeakPolarHBondContact CG1-O 3.32Å; V221-V321 HydrophobicContact CG1-CG2 4.24Å; V221-V321 HydrophobicContact CG2-CG1 4.46Å; V221-V321 HydrophobicContact CG2-CG2 4.13Å
222I80.8Confident80.7Confident65 Ų6583.5 Ų83.533%0.33342%0.423SS..EExtended strand (participates in β ladder)trans-122.7156.4-179.566166.8000112.4I224 D320 L322I222-I224 HydrophobicContact CD1-CD1 3.74Å; I222-I224 HydrophobicContact CD1-CG1 3.7Å; I222-I224 HydrophobicContact CG1-CD1 4.02Å; I222-I224 HydrophobicContact CG1-CG1 3.71Å; I222-D320 HydrophobicContact CG1-CB 4.44Å; I222-D320 PolarHBondContact N-O 2.93Å; I222-D320 PolarHBondContact O-N 3.43Å; I222-L322 HydrophobicContact CD1-CD1 3.43Å; I222-L322 VanDerWaalsContact CD1-CD1 3.43Å; I222-L322 HydrophobicContact CG1-CD1 3.56Å; I222-L322 HydrophobicContact CG2-CD1 4.28Å
223A75.8Confident79.8Confident55 Ų5588.6 Ų88.646%0.45545%0.447SS..EExtended strand (participates in β ladder)trans-99.497.5-178.500000110.2L317 W319A223-L317 HydrophobicContact CB-CD1 3.88Å; A223-L317 HydrophobicContact CB-CD2 3.35Å; A223-L317 HydrophobicContact CB-CG 4.19Å; A223-W319 HydrophobicContact CB-CE3 4.31Å; A223-W319 HydrophobicContact CB-CZ3 4.09Å
224I70.9Confident78.9Confident82 Ų8289.3 Ų89.342%0.42146%0.463SS..EExtended strand (participates in β ladder)trans-92.6-53-169.6-47-167000113.5I222 H318 D320I222-I224 HydrophobicContact CD1-CD1 3.74Å; I222-I224 HydrophobicContact CD1-CG1 3.7Å; I222-I224 HydrophobicContact CG1-CD1 4.02Å; I222-I224 HydrophobicContact CG1-CG1 3.71Å; I224-H318 PolarHBondContact N-O 3.01Å; I224-D320 HydrophobicContact CD1-CB 3.34Å; I224-D320 WeakPolarHBondContact CD1-OD2 3.21Å; I224-D320 HydrophobicContact CG1-CB 3.67Å
225K66.3Low78.3Confident154 Ų15487.1 Ų87.167%0.6745%0.451SS*.EExtended strand (participates in β ladder)trans-139.7145-172.7-68.4178.7-175.1168.70112H318K225-H318 WeakPolarHBondContact O-CB 3.2Å; K225-H318 PolarHBondContact O-N 3.41Å
226M72.8Confident77.6Confident99 Ų9991 Ų9149%0.48848%0.479SS..EExtended strand (participates in β ladder)trans-66.6144.6163.3-115.8156.359.100109.3W232 W312M226-W232 HydrophobicContact CE-CH2 4.32Å; M226-W232 HydrophobicContact CE-CZ2 3.65Å; M226-W312 HydrophobicContact CE-CH2 3.99Å; M226-W312 HydrophobicContact SD-CH2 4.15Å; M226-W312 HydrophobicContact SD-CZ3 4.25Å
227K72.8Confident77.3Confident74 Ų7490 Ų9032%0.32247%0.467SS..PPolyproline II helixtrans-57.7154.3171.1-69.3173.7-178.7166.80109.6W232 V315 N316K227-W232 PolarHBondContact O-NE1 3.38Å; K227-V315 PolarHBondContact NZ-O 2.95Å; K227-N316 PolarHBondContact N-O 3.44Å
228Q73.8Confident77.2Confident149 Ų14991 Ų9170%0.69648%0.478SS*.PPolyproline II helixtrans-58.8144.7172.4-70.9179.4-22.300110.2C230 Q231Q228-C230 PolarHBondContact O-N 2.92Å; Q228-C230 VanDerWaalsContact O-N 3.11Å; Q228-Q231 PolarHBondContact O-N 3.19Å
229P70.8Confident77.1Confident91 Ų9190.1 Ų90.159%0.59149%0.485SS*.G310 helixtrans-52.2-36.8-176.5-29.936.5000114.7Q231 W232P229-Q231 PolarHBondContact O-N 3.38Å; P229-W232 HydrophobicContact CB-CD2 4.49Å; P229-W232 HydrophobicContact CB-CZ2 4.3Å; P229-W232 HydrophobicContact CG-CZ2 4.11Å; P229-W232 WeakPolarHBondContact O-CB 3.4Å; P229-W232 PolarHBondContact O-N 2.96Å
230C67.8Low77Confident124 Ų12494.7 Ų94.784%0.83851%0.513SS*.G310 helixtrans-70.3-11.2178.9-48.10000114.4Q228Q228-C230 PolarHBondContact O-N 2.92Å; Q228-C230 VanDerWaalsContact O-N 3.11Å
231Q69.9Low77.1Confident121 Ų12192 Ų9257%0.56550%0.5SS*.G310 helixtrans-113.415.5179.9-65.9-68.3-10.300111.8Q228 P229 Q233Q228-Q231 PolarHBondContact O-N 3.19Å; P229-Q231 PolarHBondContact O-N 3.38Å; Q231-Q233 PolarHBondContact O-N 3.02Å
232W79.4Confident77.2Confident107 Ų10796.2 Ų96.241%0.40552%0.517SS..PPolyproline II helixtrans-71.7127.1178.2-73.8-0000111.3M226 K227 P229 W312 N316M226-W232 HydrophobicContact CE-CH2 4.32Å; M226-W232 HydrophobicContact CE-CZ2 3.65Å; K227-W232 PolarHBondContact O-NE1 3.38Å; P229-W232 HydrophobicContact CB-CD2 4.49Å; P229-W232 HydrophobicContact CB-CZ2 4.3Å; P229-W232 HydrophobicContact CG-CZ2 4.11Å; P229-W232 WeakPolarHBondContact O-CB 3.4Å; P229-W232 PolarHBondContact O-N 2.96Å; W232-W312 AromaticContact CD2-CZ2 3.79Å; W232-W312 HydrophobicContact CD2-CZ2 3.79Å; W232-W312 AromaticContact CE3-CZ2 3.74Å; W232-W312 HydrophobicContact CE3-CZ2 3.74Å; W232-W312 HydrophobicContact CG-CZ2 4.38Å; W232-W312 HydrophobicContact CH2-CH2 4.28Å; W232-W312 HydrophobicContact CH2-CZ2 4.26Å; W232-W312 HydrophobicContact CZ2-CH2 4.25Å; W232-W312 HydrophobicContact CZ2-CZ2 4.31Å; W232-W312 HydrophobicContact CZ3-CH2 4.42Å; W232-W312 AromaticContact CZ3-CZ2 3.98Å; W232-W312 HydrophobicContact CZ3-CZ2 3.98Å; W232-N316 WeakPolarHBondContact CA-OD1 3.46Å; W232-N316 WeakPolarHBondContact CB-OD1 3.42Å
233Q73.9Confident77.8Confident109 Ų10997.3 Ų97.351%0.50953%0.526SS..PPolyproline II helixtrans-87.2119.9176.2-67.1-66.7-49.300108.7Q231 I235 V315 N316Q231-Q233 PolarHBondContact O-N 3.02Å; Q233-I235 PolarHBondContact O-N 3.41Å; Q233-V315 HydrophobicContact CB-CG1 3.92Å; Q233-N316 PolarHBondContact N-OD1 3.32Å; Q233-N316 PolarHBondContact O-ND2 2.97Å; Q233-N316 PolarHBondContact O-OD1 2.92Å
234S71.9Confident78.4Confident116 Ų11696.8 Ų96.881%0.81151%0.514SS*.PPolyproline II helixtrans-71.7119.6174.755.20000110.2
235I80.3Confident79.4Confident54 Ų5495.5 Ų95.528%0.27751%0.507SS..PPolyproline II helixtrans-72.8149.3170.9-146.475.8000109.6Q233 I237 V315Q233-I235 PolarHBondContact O-N 3.41Å; I235-I237 HydrophobicContact CG2-CG1 3.71Å; I235-I237 PolarHBondContact O-N 2.84Å; I235-V315 HydrophobicContact CD1-CB 4.34Å; I235-V315 HydrophobicContact CD1-CG2 3.69Å
236S75.3Confident80.6Confident109 Ų10992.9 Ų92.976%0.76250%0.499SS*.  trans-71.990.3173.4400000111
237I83.3Confident81.5Confident64 Ų6490.7 Ų90.733%0.32850%0.497SS..  trans-77.1127.8177.4-50.4176.5000109.9I235 E241 K242 V308I235-I237 HydrophobicContact CG2-CG1 3.71Å; I235-I237 PolarHBondContact O-N 2.84Å; I237-E241 HydrophobicContact CG2-CB 3.56Å; I237-K242 HydrophobicContact CB-CG 4.26Å; I237-K242 HydrophobicContact CG2-CG 3.79Å; I237-K242 VanDerWaalsContact O-CE 3.23Å; I237-K242 WeakPolarHBondContact O-CE 3.34Å; I237-V308 HydrophobicContact CG1-CG1 4.49Å
238T87.7Confident82.5Confident73 Ų7388.1 Ų88.145%0.44849%0.487SS..  trans-69.1160.6177.165.50000112.1V240 E241 K242T238-V240 VanDerWaalsContact C-N 3.31Å; T238-V240 PolarHBondContact O-N 2.87Å; T238-E241 WeakPolarHBondContact CB-OE2 2.76Å; T238-E241 WeakPolarHBondContact CG2-OE2 3.48Å; T238-E241 PolarHBondContact N-OE2 2.78Å; T238-E241 PolarHBondContact O-N 2.9Å; T238-E241 WeakPolarHBondContact OG1-CB 3.29Å; T238-E241 VanDerWaalsContact OG1-CG 3.22Å; T238-E241 WeakPolarHBondContact OG1-CG 3.3Å; T238-E241 PolarHBondContact OG1-N 2.95Å; T238-E241 PolarHBondContact OG1-OE2 2.87Å; T238-K242 WeakPolarHBondContact O-CG 3.39Å; T238-K242 PolarHBondContact O-N 3.44Å
239L85.7Confident83.4Confident136 Ų13685.2 Ų85.271%0.71248%0.476SS*.Hα-helixtrans-63.3-37.6-179.2-167.9149.7000112.2K242 V243L239-K242 WeakPolarHBondContact O-CB 3.47Å; L239-K242 PolarHBondContact O-N 3.44Å; L239-V243 HydrophobicContact CD2-CG2 4.15Å; L239-V243 WeakPolarHBondContact O-CG2 3.08Å; L239-V243 PolarHBondContact O-N 2.91Å
240V87.1Confident84.5Confident99 Ų9986 Ų8660%0.648%0.475SS*.Hα-helixtrans-61.9-50.2175.9-177.90000110.7T238 K242 V243 Q244T238-V240 VanDerWaalsContact C-N 3.31Å; T238-V240 PolarHBondContact O-N 2.87Å; V240-K242 VanDerWaalsContact C-N 3.28Å; V240-K242 PolarHBondContact O-N 3.4Å; V240-V243 PolarHBondContact O-N 2.94Å; V240-V243 VanDerWaalsContact O-N 3.16Å; V240-Q244 WeakPolarHBondContact O-CG 3.4Å; V240-Q244 PolarHBondContact O-N 2.92Å
241E88.2Confident85.8Confident26 Ų2681 Ų8112%0.12144%0.444CS..Hα-helixtrans-59.3-37.9176.3-71.4163.7147.800111.6I237 T238 Q244 M245 V308 R311I237-E241 HydrophobicContact CG2-CB 3.56Å; T238-E241 WeakPolarHBondContact CB-OE2 2.76Å; T238-E241 WeakPolarHBondContact CG2-OE2 3.48Å; T238-E241 PolarHBondContact N-OE2 2.78Å; T238-E241 PolarHBondContact O-N 2.9Å; T238-E241 WeakPolarHBondContact OG1-CB 3.29Å; T238-E241 VanDerWaalsContact OG1-CG 3.22Å; T238-E241 WeakPolarHBondContact OG1-CG 3.3Å; T238-E241 PolarHBondContact OG1-N 2.95Å; T238-E241 PolarHBondContact OG1-OE2 2.87Å; E241-Q244 PolarHBondContact O-N 3.18Å; E241-M245 VanDerWaalsContact O-CG 3.25Å; E241-M245 WeakPolarHBondContact O-CG 3.39Å; E241-M245 PolarHBondContact O-N 3.3Å; E241-V308 HydrophobicContact CB-CG2 3.96Å; E241-V308 HydrophobicContact CG-CG2 3.66Å; E241-V308 WeakPolarHBondContact OE1-CG2 3.46Å; E241-R311 IonicContact OE1-NH1 2.69Å; E241-R311 PolarHBondContact OE1-NH1 3.26Å
242K87.7Confident87Confident114 Ų11477 Ų7750%0.49643%0.429SS..Hα-helixtrans-61.9-44.4175-73.2171.5-176.9169.60112.6I237 T238 L239 V240 M245 I246I237-K242 HydrophobicContact CB-CG 4.26Å; I237-K242 HydrophobicContact CG2-CG 3.79Å; I237-K242 VanDerWaalsContact O-CE 3.23Å; I237-K242 WeakPolarHBondContact O-CE 3.34Å; T238-K242 WeakPolarHBondContact O-CG 3.39Å; T238-K242 PolarHBondContact O-N 3.44Å; L239-K242 WeakPolarHBondContact O-CB 3.47Å; L239-K242 PolarHBondContact O-N 3.44Å; V240-K242 VanDerWaalsContact C-N 3.28Å; V240-K242 PolarHBondContact O-N 3.4Å; K242-M245 PolarHBondContact O-N 3.31Å; K242-I246 WeakPolarHBondContact O-CG1 3.48Å; K242-I246 PolarHBondContact O-N 2.83Å
243V91.9Very high87.8Confident87 Ų8776.9 Ų76.953%0.52744%0.436SS..Hα-helixtrans-64.6-42.8178174.20000110.6L239 V240 M245 I246 A247L239-V243 HydrophobicContact CD2-CG2 4.15Å; L239-V243 WeakPolarHBondContact O-CG2 3.08Å; L239-V243 PolarHBondContact O-N 2.91Å; V240-V243 PolarHBondContact O-N 2.94Å; V240-V243 VanDerWaalsContact O-N 3.16Å; V243-M245 PolarHBondContact O-N 3.33Å; V243-I246 PolarHBondContact O-N 3.09Å; V243-A247 WeakPolarHBondContact O-CB 3.11Å; V243-A247 PolarHBondContact O-N 2.73Å
244Q89.9Confident88.8Confident44 Ų4476.2 Ų76.221%0.20643%0.431CS..Hα-helixtrans-61.5-43.4175.4-67.8178-58.600112.2V240 E241 I246 A247 V248 E301V240-Q244 WeakPolarHBondContact O-CG 3.4Å; V240-Q244 PolarHBondContact O-N 2.92Å; E241-Q244 PolarHBondContact O-N 3.18Å; Q244-I246 PolarHBondContact O-N 2.98Å; Q244-A247 PolarHBondContact O-N 3.32Å; Q244-V248 WeakPolarHBondContact O-CG2 3.38Å; Q244-V248 PolarHBondContact O-N 3.39Å; Q244-E301 WeakPolarHBondContact CG-OE2 3.19Å; Q244-E301 PolarHBondContact NE2-OE2 3.03Å
245M90.1Very high90Very high56 Ų5672.4 Ų72.428%0.27640%0.401SS..Hα-helixtrans-58.3-47.3174.2-72.5-62.6-51.600111.8E241 K242 V243 V248 I249 V305E241-M245 VanDerWaalsContact O-CG 3.25Å; E241-M245 WeakPolarHBondContact O-CG 3.39Å; E241-M245 PolarHBondContact O-N 3.3Å; K242-M245 PolarHBondContact O-N 3.31Å; V243-M245 PolarHBondContact O-N 3.33Å; M245-V248 PolarHBondContact O-N 3.14Å; M245-I249 HydrophobicContact CE-CD1 4.47Å; M245-I249 WeakPolarHBondContact O-CB 3.49Å; M245-I249 WeakPolarHBondContact O-CD1 3.47Å; M245-I249 WeakPolarHBondContact O-CG1 3.46Å; M245-I249 PolarHBondContact O-N 2.99Å; M245-V305 HydrophobicContact CE-CG1 4.14Å; M245-V305 HydrophobicContact SD-CB 3.99Å; M245-V305 HydrophobicContact SD-CG1 3.61Å; M245-V305 HydrophobicContact SD-CG2 3.66Å
246I91.8Very high90.7Very high99 Ų9974.6 Ų74.651%0.50841%0.413SS..Hα-helixtrans-63.4-44.5179.4-68163.4000110.5K242 V243 Q244 V248 I249 L250K242-I246 WeakPolarHBondContact O-CG1 3.48Å; K242-I246 PolarHBondContact O-N 2.83Å; V243-I246 PolarHBondContact O-N 3.09Å; Q244-I246 PolarHBondContact O-N 2.98Å; I246-V248 PolarHBondContact O-N 2.91Å; I246-I249 PolarHBondContact O-N 3.21Å; I246-L250 HydrophobicContact CG2-CD1 3.73Å; I246-L250 HydrophobicContact CG2-CG 4.22Å; I246-L250 WeakPolarHBondContact O-CB 3.46Å; I246-L250 WeakPolarHBondContact O-CG 3.37Å; I246-L250 PolarHBondContact O-N 3.42Å
247A91.6Very high91.7Very high53 Ų5372.3 Ų72.344%0.43840%0.401SS..Hα-helixtrans-60.2-45.4177.800000112.2V243 Q244 G251V243-A247 WeakPolarHBondContact O-CB 3.11Å; V243-A247 PolarHBondContact O-N 2.73Å; Q244-A247 PolarHBondContact O-N 3.32Å; A247-G251 PolarHBondContact O-N 3.48Å
248V93.6Very high92.3Very high20 Ų2069.7 Ų69.712%0.12139%0.388CS..Hα-helixtrans-65.7-39.5176.8171.60000111.7Q244 M245 I246 S252 E301 V305Q244-V248 WeakPolarHBondContact O-CG2 3.38Å; Q244-V248 PolarHBondContact O-N 3.39Å; M245-V248 PolarHBondContact O-N 3.14Å; I246-V248 PolarHBondContact O-N 2.91Å; V248-S252 VanDerWaalsContact O-CB 3.25Å; V248-S252 WeakPolarHBondContact O-CB 3.45Å; V248-S252 PolarHBondContact O-N 3.24Å; V248-S252 PolarHBondContact O-OG 3.39Å; V248-E301 HydrophobicContact CG2-CB 3.58Å; V248-V305 HydrophobicContact CB-CG2 4.18Å; V248-V305 HydrophobicContact CG1-CG2 4.39Å; V248-V305 HydrophobicContact CG2-CG2 3.87Å
249I93.4Very high92.7Very high87 Ų8769.2 Ų69.245%0.44639%0.385SS..Hα-helixtrans-64.4-50.2176.6-70.3163.6000110.7M245 I246 S252 L253M245-I249 HydrophobicContact CE-CD1 4.47Å; M245-I249 WeakPolarHBondContact O-CB 3.49Å; M245-I249 WeakPolarHBondContact O-CD1 3.47Å; M245-I249 WeakPolarHBondContact O-CG1 3.46Å; M245-I249 PolarHBondContact O-N 2.99Å; I246-I249 PolarHBondContact O-N 3.21Å; I249-S252 PolarHBondContact O-N 3.5Å; I249-L253 HydrophobicContact CG2-CD1 4.04Å; I249-L253 WeakPolarHBondContact O-CG 3.36Å; I249-L253 PolarHBondContact O-N 3.11Å
250L94.3Very high93.2Very high109 Ų10966.7 Ų66.757%0.57138%0.375SS*.Hα-helixtrans-63.5-43.2179.6-68.3175.5000111.9I246 S252 L253 F254I246-L250 HydrophobicContact CG2-CD1 3.73Å; I246-L250 HydrophobicContact CG2-CG 4.22Å; I246-L250 WeakPolarHBondContact O-CB 3.46Å; I246-L250 WeakPolarHBondContact O-CG 3.37Å; I246-L250 PolarHBondContact O-N 3.42Å; L250-S252 VanDerWaalsContact C-N 3.34Å; L250-S252 PolarHBondContact O-N 2.79Å; L250-L253 PolarHBondContact O-N 2.83Å; L250-F254 PolarHBondContact O-N 2.84Å
251G94.4Very high93.4Very high18 Ų1867.4 Ų67.419%0.18637%0.367CS..Hα-helixtrans-62.1-39.2174.500000112.8A247 L255A247-G251 PolarHBondContact O-N 3.48Å; G251-L255 VanDerWaalsContact O-CB 3.28Å; G251-L255 WeakPolarHBondContact O-CB 3.25Å; G251-L255 PolarHBondContact O-N 3.34Å
252S94.8Very high93.6Very high37 Ų3767.9 Ų67.926%0.25937%0.37SS..Hα-helixtrans-67.1-41.4175.5-59.20000112.1V248 I249 L250 L255 I256V248-S252 VanDerWaalsContact O-CB 3.25Å; V248-S252 WeakPolarHBondContact O-CB 3.45Å; V248-S252 PolarHBondContact O-N 3.24Å; V248-S252 PolarHBondContact O-OG 3.39Å; I249-S252 PolarHBondContact O-N 3.5Å; L250-S252 VanDerWaalsContact C-N 3.34Å; L250-S252 PolarHBondContact O-N 2.79Å; S252-L255 PolarHBondContact O-N 3.38Å; S252-I256 WeakPolarHBondContact O-CB 3.5Å; S252-I256 WeakPolarHBondContact O-CD1 3.42Å; S252-I256 WeakPolarHBondContact O-CG1 3.24Å; S252-I256 PolarHBondContact O-N 3.04Å
253L96.3Very high93.7Very high105 Ų10567 Ų6755%0.5537%0.371SS..Hα-helixtrans-63.7-44.2176.5-72.1171.2000111.7I249 L250 I256 A257I249-L253 HydrophobicContact CG2-CD1 4.04Å; I249-L253 WeakPolarHBondContact O-CG 3.36Å; I249-L253 PolarHBondContact O-N 3.11Å; L250-L253 PolarHBondContact O-N 2.83Å; L253-I256 PolarHBondContact O-N 3.34Å; L253-A257 WeakPolarHBondContact O-CB 3.45Å; L253-A257 PolarHBondContact O-N 3.18Å
254F95.4Very high93.7Very high95 Ų9572.2 Ų72.242%0.41738%0.381SS..Hα-helixtrans-60.5-48.8174.7176.8-94.3000111.5L250 I256 A257 S258 M290 C294L250-F254 PolarHBondContact O-N 2.84Å; F254-I256 PolarHBondContact O-N 3.08Å; F254-A257 PolarHBondContact O-N 2.91Å; F254-S258 WeakPolarHBondContact O-CB 3.46Å; F254-S258 PolarHBondContact O-N 3.09Å; F254-M290 HydrophobicContact CE1-CB 4.36Å; F254-C294 VanDerWaalsContact CD1-SG 3.59Å
255L96.4Very high93.6Very high35 Ų3571 Ų7118%0.18338%0.377CS..Hα-helixtrans-60.4-43.4178.4-180150.9000112G251 S252 A257 S258 V259 C294 I295 I298G251-L255 VanDerWaalsContact O-CB 3.28Å; G251-L255 WeakPolarHBondContact O-CB 3.25Å; G251-L255 PolarHBondContact O-N 3.34Å; S252-L255 PolarHBondContact O-N 3.38Å; L255-A257 PolarHBondContact O-N 3.4Å; L255-S258 PolarHBondContact O-N 3.31Å; L255-V259 HydrophobicContact CD2-CG2 4.12Å; L255-V259 HydrophobicContact CG-CG2 4.26Å; L255-V259 VanDerWaalsContact O-CB 3.28Å; L255-V259 WeakPolarHBondContact O-CB 3.41Å; L255-V259 VanDerWaalsContact O-CG2 3.25Å; L255-V259 WeakPolarHBondContact O-CG2 3.05Å; L255-V259 PolarHBondContact O-N 3.01Å; L255-C294 HydrophobicContact CB-CB 4.42Å; L255-C294 HydrophobicContact CD1-CB 4.22Å; L255-I295 HydrophobicContact CD1-CD1 4.25Å; L255-I295 HydrophobicContact CD1-CG1 3.42Å; L255-I295 VanDerWaalsContact CD1-CG1 3.42Å; L255-I298 HydrophobicContact CD1-CD1 4.17Å
256I96.9Very high93.3Very high100 Ų10070.5 Ų70.551%0.51338%0.382SS..Hα-helixtrans-62.6-43.5177-70.6163.4000110.6S252 L253 F254 T260S252-I256 WeakPolarHBondContact O-CB 3.5Å; S252-I256 WeakPolarHBondContact O-CD1 3.42Å; S252-I256 WeakPolarHBondContact O-CG1 3.24Å; S252-I256 PolarHBondContact O-N 3.04Å; L253-I256 PolarHBondContact O-N 3.34Å; F254-I256 PolarHBondContact O-N 3.08Å; I256-T260 WeakPolarHBondContact O-CB 3.32Å; I256-T260 PolarHBondContact O-N 3.29Å; I256-T260 PolarHBondContact O-OG1 3.49Å
257A96.4Very high93Very high62 Ų6273.2 Ų73.251%0.51239%0.391SS..Hα-helixtrans-65-45.9178.100000112L253 F254 L255 T260 W261L253-A257 WeakPolarHBondContact O-CB 3.45Å; L253-A257 PolarHBondContact O-N 3.18Å; F254-A257 PolarHBondContact O-N 2.91Å; L255-A257 PolarHBondContact O-N 3.4Å; A257-T260 PolarHBondContact O-N 3.01Å; A257-W261 WeakPolarHBondContact O-CB 3.12Å; A257-W261 PolarHBondContact O-N 3.12Å
258S95.7Very high92.7Very high8 Ų871.8 Ų71.86%0.05638%0.377CS..Hα-helixtrans-61.6-53.7177.7-176.90000111.6F254 L255 T260 W261 L262 D291F254-S258 WeakPolarHBondContact O-CB 3.46Å; F254-S258 PolarHBondContact O-N 3.09Å; L255-S258 PolarHBondContact O-N 3.31Å; S258-T260 VanDerWaalsContact C-N 3.33Å; S258-T260 PolarHBondContact O-N 3.18Å; S258-W261 WeakPolarHBondContact O-CB 3.26Å; S258-W261 PolarHBondContact O-N 3.37Å; S258-W261 VanDerWaalsContact O-N 3.12Å; S258-L262 WeakPolarHBondContact O-CG 3.38Å; S258-L262 PolarHBondContact O-N 3.36Å; S258-D291 WeakPolarHBondContact CB-OD1 3.33Å; S258-D291 VanDerWaalsContact OG-CG 3.25Å; S258-D291 PolarHBondContact OG-OD1 2.97Å; S258-D291 PolarHBondContact OG-OD2 2.95Å; S258-D291 VanDerWaalsContact OG-OD2 3.09Å
259V95.3Very high92Very high63 Ų6375.4 Ų75.438%0.38240%0.401SS..Hα-helixtrans-59.7-42.2177171.70000111.3L255 W261 L262 L263L255-V259 HydrophobicContact CD2-CG2 4.12Å; L255-V259 HydrophobicContact CG-CG2 4.26Å; L255-V259 VanDerWaalsContact O-CB 3.28Å; L255-V259 WeakPolarHBondContact O-CB 3.41Å; L255-V259 VanDerWaalsContact O-CG2 3.25Å; L255-V259 WeakPolarHBondContact O-CG2 3.05Å; L255-V259 PolarHBondContact O-N 3.01Å; V259-W261 VanDerWaalsContact C-N 3.34Å; V259-W261 PolarHBondContact O-N 3.43Å; V259-L262 PolarHBondContact O-N 3.36Å; V259-L263 WeakPolarHBondContact O-CB 3.41Å; V259-L263 PolarHBondContact O-N 2.82Å
260T95.2Very high90.9Very high84 Ų8481.7 Ų81.752%0.51542%0.421SS..Hα-helixtrans-61.4-43.1176.2-61.90000111.5I256 A257 S258 L263 W264I256-T260 WeakPolarHBondContact O-CB 3.32Å; I256-T260 PolarHBondContact O-N 3.29Å; I256-T260 PolarHBondContact O-OG1 3.49Å; A257-T260 PolarHBondContact O-N 3.01Å; S258-T260 VanDerWaalsContact C-N 3.33Å; S258-T260 PolarHBondContact O-N 3.18Å; T260-L263 PolarHBondContact O-N 3.49Å; T260-W264 WeakPolarHBondContact O-CB 3.4Å; T260-W264 PolarHBondContact O-N 3.22Å
261W92.6Very high89.4Confident114 Ų11477.6 Ų77.643%0.43240%0.403SS..Hα-helixtrans-65.4-46176.9-174.990.1000111.9A257 S258 V259 L263 W264 S265 Y284 Y287A257-W261 WeakPolarHBondContact O-CB 3.12Å; A257-W261 PolarHBondContact O-N 3.12Å; S258-W261 WeakPolarHBondContact O-CB 3.26Å; S258-W261 PolarHBondContact O-N 3.37Å; S258-W261 VanDerWaalsContact O-N 3.12Å; V259-W261 VanDerWaalsContact C-N 3.34Å; V259-W261 PolarHBondContact O-N 3.43Å; W261-L263 VanDerWaalsContact C-N 3.34Å; W261-L263 PolarHBondContact O-N 3.37Å; W261-W264 PolarHBondContact O-N 3.33Å; W261-S265 WeakPolarHBondContact O-CB 3.25Å; W261-S265 PolarHBondContact O-N 2.96Å; W261-Y284 HydrophobicContact CH2-CE1 4.21Å; W261-Y284 HydrophobicContact CZ3-CD1 4.12Å; W261-Y284 AromaticContact CZ3-CE1 3.88Å; W261-Y284 HydrophobicContact CZ3-CE1 3.88Å; W261-Y287 HydrophobicContact CZ3-CD2 4.11Å; W261-Y287 HydrophobicContact CZ3-CE2 4.23Å
262L91.6Very high88.2Confident35 Ų3579.9 Ų79.918%0.18341%0.413CS..Hα-helixtrans-58.6-44.6175.2-71.2176.5000111.7S258 V259 S265 A266 Y284 D291S258-L262 WeakPolarHBondContact O-CG 3.38Å; S258-L262 PolarHBondContact O-N 3.36Å; V259-L262 PolarHBondContact O-N 3.36Å; L262-S265 PolarHBondContact O-N 2.84Å; L262-A266 VanDerWaalsContact O-CB 3.26Å; L262-A266 WeakPolarHBondContact O-CB 3.33Å; L262-A266 PolarHBondContact O-N 3.34Å; L262-Y284 HydrophobicContact CD2-CD1 3.55Å; L262-Y284 HydrophobicContact CD2-CE1 4.17Å; L262-D291 WeakPolarHBondContact CD1-OD2 3.43Å
263L90.7Very high86.8Confident96 Ų9688.5 Ų88.550%0.50344%0.44SS..Hα-helixtrans-66-45.4-179.1-157.571.7000111.6V259 T260 W261 A266 F267V259-L263 WeakPolarHBondContact O-CB 3.41Å; V259-L263 PolarHBondContact O-N 2.82Å; T260-L263 PolarHBondContact O-N 3.49Å; W261-L263 VanDerWaalsContact C-N 3.34Å; W261-L263 PolarHBondContact O-N 3.37Å; L263-A266 PolarHBondContact O-N 2.92Å; L263-F267 HydrophobicContact CD1-CD2 4.09Å; L263-F267 HydrophobicContact CD1-CE2 3.43Å; L263-F267 VanDerWaalsContact CD1-CE2 3.43Å; L263-F267 HydrophobicContact CD1-CZ 4.24Å; L263-F267 HydrophobicContact CD2-CE2 4.45Å; L263-F267 HydrophobicContact CG-CD2 3.83Å; L263-F267 HydrophobicContact CG-CE2 3.64Å; L263-F267 VanDerWaalsContact O-CD2 3.27Å; L263-F267 WeakPolarHBondContact O-CD2 3.43Å; L263-F267 PolarHBondContact O-N 3.14Å
264W90.9Very high85.3Confident196 Ų19688.2 Ų88.274%0.74244%0.436SS*.Hα-helixtrans-59.1-46.7172.8178.3-84.5000111.6T260 W261 A266 F267 S268T260-W264 WeakPolarHBondContact O-CB 3.4Å; T260-W264 PolarHBondContact O-N 3.22Å; W261-W264 PolarHBondContact O-N 3.33Å; W264-A266 PolarHBondContact O-N 2.93Å; W264-F267 PolarHBondContact O-N 3.22Å; W264-S268 VanDerWaalsContact O-CB 3.26Å; W264-S268 WeakPolarHBondContact O-CB 3.44Å; W264-S268 PolarHBondContact O-N 3.47Å
265S87.4Confident84.1Confident18 Ų1887 Ų8713%0.12643%0.429CS..Hα-helixtrans-64.4-39.6-179.3-158.50000112W261 L262 R275 Y284W261-S265 WeakPolarHBondContact O-CB 3.25Å; W261-S265 PolarHBondContact O-N 2.96Å; L262-S265 PolarHBondContact O-N 2.84Å; S265-R275 WeakPolarHBondContact O-CD 3.23Å; S265-R275 PolarHBondContact O-NE 2.85Å; S265-Y284 WeakPolarHBondContact OG-CE1 3.44Å; S265-Y284 PolarHBondContact OG-OH 2.8Å
266A84.5Confident83.1Confident47 Ų4792.1 Ų92.139%0.38845%0.449SS..Hα-helixtrans-71-35.7177.100000113.6L262 L263 W264 R275L262-A266 VanDerWaalsContact O-CB 3.26Å; L262-A266 WeakPolarHBondContact O-CB 3.33Å; L262-A266 PolarHBondContact O-N 3.34Å; L263-A266 PolarHBondContact O-N 2.92Å; W264-A266 PolarHBondContact O-N 2.93Å; A266-R275 PolarHBondContact O-NH1 2.87Å; A266-R275 PolarHBondContact O-NH2 3.42Å; A266-R275 VanDerWaalsContact O-NH2 3.17Å
267F85.8Confident82.5Confident155 Ų15591.4 Ų91.468%0.6845%0.447SS*.Hα-helixtrans-95.2-20.6-176.7-67.2-47.6000115.1L263 W264 P269L263-F267 HydrophobicContact CD1-CD2 4.09Å; L263-F267 HydrophobicContact CD1-CE2 3.43Å; L263-F267 VanDerWaalsContact CD1-CE2 3.43Å; L263-F267 HydrophobicContact CD1-CZ 4.24Å; L263-F267 HydrophobicContact CD2-CE2 4.45Å; L263-F267 HydrophobicContact CG-CD2 3.83Å; L263-F267 HydrophobicContact CG-CE2 3.64Å; L263-F267 VanDerWaalsContact O-CD2 3.27Å; L263-F267 WeakPolarHBondContact O-CD2 3.43Å; L263-F267 PolarHBondContact O-N 3.14Å; W264-F267 PolarHBondContact O-N 3.22Å; F267-P269 VanDerWaalsContact O-CD 3.31Å; F267-P269 WeakPolarHBondContact O-CD 3.22Å; F267-P269 VanDerWaalsContact O-N 3.16Å
268S85.6Confident82.1Confident23 Ų2394.4 Ų94.416%0.16145%0.453CS..  trans-62.2117.3-177.3-178.90000112.1W264 Y270 A271 R275W264-S268 VanDerWaalsContact O-CB 3.26Å; W264-S268 WeakPolarHBondContact O-CB 3.44Å; W264-S268 PolarHBondContact O-N 3.47Å; S268-Y270 PolarHBondContact O-N 3.1Å; S268-A271 PolarHBondContact O-N 3.33Å; S268-R275 PolarHBondContact O-NH2 2.88Å
269P78Confident81.7Confident96 Ų96100.2 Ų100.262%0.62348%0.483SS*.G310 helixtrans-70.7-20.9-178.228.9-34.6000112.4F267 A271 V272F267-P269 VanDerWaalsContact O-CD 3.31Å; F267-P269 WeakPolarHBondContact O-CD 3.22Å; F267-P269 VanDerWaalsContact O-N 3.16Å; P269-A271 VanDerWaalsContact C-N 3.27Å; P269-A271 PolarHBondContact O-N 3.08Å; P269-V272 VanDerWaalsContact O-CG2 3.29Å; P269-V272 WeakPolarHBondContact O-CG2 3.38Å
270Y70.8Confident81.2Confident220 Ų220100.3 Ų100.386%0.86348%0.478SS*.G310 helixtrans-71.7-19.4177.2-59.9-79.4000113.2S268S268-Y270 PolarHBondContact O-N 3.1Å
271A63Low80.8Confident23 Ų23101.8 Ų101.819%0.1948%0.479CS..G310 helixtrans-106.413.7-175.100000114.3S268 P269 W273 Q274 R275S268-A271 PolarHBondContact O-N 3.33Å; P269-A271 VanDerWaalsContact C-N 3.27Å; P269-A271 PolarHBondContact O-N 3.08Å; A271-W273 VanDerWaalsContact C-N 3.3Å; A271-W273 PolarHBondContact O-N 3.2Å; A271-Q274 PolarHBondContact O-N 3.27Å; A271-R275 PolarHBondContact O-N 3.1Å; A271-R275 PolarHBondContact O-NE 3.46Å
272V68.9Low80.8Confident66 Ų66101.5 Ų101.540%0.449%0.485SS..THydrogen-bonded Turntrans-64.9-30.8-173.2176.80000113.1P269P269-V272 VanDerWaalsContact O-CG2 3.29Å; P269-V272 WeakPolarHBondContact O-CG2 3.38Å
273W65.3Low80.7Confident217 Ų217102 Ų10282%0.82249%0.491SS*.THydrogen-bonded Turntrans-74.1-43.9177.5-75.590.6000112.4A271 R275 K276A271-W273 VanDerWaalsContact C-N 3.3Å; A271-W273 PolarHBondContact O-N 3.2Å; W273-R275 PolarHBondContact O-N 3.38Å; W273-K276 PolarHBondContact O-N 3.5Å
274Q65.3Low80.7Confident100 Ų100100 Ų10047%0.46748%0.477SS..G310 helixtrans-65.9-23-178.5-170.6175-37.700113.5A271 K276 D277 F280A271-Q274 PolarHBondContact O-N 3.27Å; Q274-K276 PolarHBondContact O-N 3.2Å; Q274-D277 PolarHBondContact O-N 3.41Å; Q274-F280 HydrophobicContact CG-CD2 3.66Å; Q274-F280 HydrophobicContact CG-CE1 4.42Å; Q274-F280 HydrophobicContact CG-CE2 3.31Å; Q274-F280 HydrophobicContact CG-CG 4.39Å; Q274-F280 HydrophobicContact CG-CZ 3.76Å; Q274-F280 WeakPolarHBondContact O-CD2 3.44Å
275R69.5Low80.8Confident70 Ų7093 Ų9326%0.26447%0.466SS..G310 helixtrans-71.1-7.2177.5-79.4-175.2-85.1160.2-24115.4S265 A266 S268 A271 W273 Y284S265-R275 WeakPolarHBondContact O-CD 3.23Å; S265-R275 PolarHBondContact O-NE 2.85Å; A266-R275 PolarHBondContact O-NH1 2.87Å; A266-R275 PolarHBondContact O-NH2 3.42Å; A266-R275 VanDerWaalsContact O-NH2 3.17Å; S268-R275 PolarHBondContact O-NH2 2.88Å; A271-R275 PolarHBondContact O-N 3.1Å; A271-R275 PolarHBondContact O-NE 3.46Å; W273-R275 PolarHBondContact O-N 3.38Å; R275-Y284 HydrophobicContact CG-CE2 4.19Å; R275-Y284 WeakPolarHBondContact CG-OH 3.15Å
276K74.9Confident81.1Confident141 Ų14196.9 Ų96.961%0.61348%0.483SS*.G310 helixtrans-93.6-13.3179.7-71.3172.5179.9167.90113.5W273 Q274W273-K276 PolarHBondContact O-N 3.5Å; Q274-K276 PolarHBondContact O-N 3.2Å
277D85.7Confident81.6Confident85 Ų8598.6 Ų98.646%0.45548%0.48SS..SBendtrans-73.8136.4178.1-49.9-48.9000110.4Q274 L279 F280 Q281Q274-D277 PolarHBondContact O-N 3.41Å; D277-L279 PolarHBondContact O-N 3.4Å; D277-L279 VanDerWaalsContact O-N 3.13Å; D277-F280 HydrophobicContact CB-CD2 4.11Å; D277-F280 PolarHBondContact O-N 2.89Å; D277-Q281 PolarHBondContact O-N 3.39Å
278I87.5Confident82Confident126 Ų12692.5 Ų92.565%0.64646%0.461SS*.Hα-helixtrans-55.8-34.6-176.9-65.6168000111.5F280 Q281 I282I278-F280 PolarHBondContact O-N 2.85Å; I278-Q281 PolarHBondContact O-N 3.21Å; I278-I282 HydrophobicContact CG2-CD1 3.84Å; I278-I282 HydrophobicContact CG2-CG1 4.38Å; I278-I282 WeakPolarHBondContact O-CG1 3.4Å; I278-I282 PolarHBondContact O-N 2.97Å
279L86.7Confident82.5Confident130 Ų13097.4 Ų97.468%0.68148%0.48SS*.Hα-helixtrans-60.1-44.2177.2-67.1172.2000112.5D277 I282 C283D277-L279 PolarHBondContact O-N 3.4Å; D277-L279 VanDerWaalsContact O-N 3.13Å; L279-I282 PolarHBondContact O-N 2.98Å; L279-C283 PolarHBondContact O-N 2.82Å; L279-C283 PolarHBondContact O-SG 3.1Å
280F85.6Confident83.3Confident64 Ų6496.9 Ų96.928%0.28147%0.47SS..Hα-helixtrans-70.7-33.2178.6-72.6-72.7000112Q274 D277 I278 C283 Y284Q274-F280 HydrophobicContact CG-CD2 3.66Å; Q274-F280 HydrophobicContact CG-CE1 4.42Å; Q274-F280 HydrophobicContact CG-CE2 3.31Å; Q274-F280 HydrophobicContact CG-CG 4.39Å; Q274-F280 HydrophobicContact CG-CZ 3.76Å; Q274-F280 WeakPolarHBondContact O-CD2 3.44Å; D277-F280 HydrophobicContact CB-CD2 4.11Å; D277-F280 PolarHBondContact O-N 2.89Å; I278-F280 PolarHBondContact O-N 2.85Å; F280-C283 PolarHBondContact O-N 3.36Å; F280-Y284 HydrophobicContact CB-CE2 4.37Å; F280-Y284 WeakPolarHBondContact O-CD2 3.5Å; F280-Y284 VanDerWaalsContact O-CG 3.31Å; F280-Y284 PolarHBondContact O-N 3.47Å
281Q86.8Confident84.5Confident115 Ų11586.9 Ų86.954%0.53743%0.431SS..Hα-helixtrans-63.8-43.3172.9-65.2-175.4-11.100112.4D277 I278 Y284 G285D277-Q281 PolarHBondContact O-N 3.39Å; I278-Q281 PolarHBondContact O-N 3.21Å; Q281-Y284 PolarHBondContact O-N 3.44Å; Q281-G285 PolarHBondContact O-N 3.4Å
282I91.7Very high86Confident109 Ų10991.4 Ų91.456%0.55945%0.452SS*.Hα-helixtrans-61.3-44.7174.7-67.6166.4000110.3I278 L279 Y284 G285 M286I278-I282 HydrophobicContact CG2-CD1 3.84Å; I278-I282 HydrophobicContact CG2-CG1 4.38Å; I278-I282 WeakPolarHBondContact O-CG1 3.4Å; I278-I282 PolarHBondContact O-N 2.97Å; L279-I282 PolarHBondContact O-N 2.98Å; I282-Y284 PolarHBondContact O-N 3.23Å; I282-G285 PolarHBondContact O-N 3.45Å; I282-M286 PolarHBondContact O-N 3.41Å
283C90.3Very high87.3Confident46 Ų4691.3 Ų91.331%0.31145%0.451SS..Hα-helixtrans-58.5-47.8175.5-70.50000112.2L279 F280 G285 M286 Y287L279-C283 PolarHBondContact O-N 2.82Å; L279-C283 PolarHBondContact O-SG 3.1Å; F280-C283 PolarHBondContact O-N 3.36Å; C283-G285 VanDerWaalsContact C-N 3.33Å; C283-G285 PolarHBondContact O-N 2.72Å; C283-M286 PolarHBondContact O-N 2.92Å; C283-Y287 VanDerWaalsContact O-CD2 3.23Å; C283-Y287 WeakPolarHBondContact O-CD2 3.43Å; C283-Y287 PolarHBondContact O-N 3.37Å
284Y91.4Very high88.7Confident53 Ų5381.9 Ų81.921%0.20842%0.418CS..Hα-helixtrans-60.8-40.2177.1-65.1-44.5000112.7W261 L262 S265 R275 F280 Q281 I282 G288W261-Y284 HydrophobicContact CH2-CE1 4.21Å; W261-Y284 HydrophobicContact CZ3-CD1 4.12Å; W261-Y284 AromaticContact CZ3-CE1 3.88Å; W261-Y284 HydrophobicContact CZ3-CE1 3.88Å; L262-Y284 HydrophobicContact CD2-CD1 3.55Å; L262-Y284 HydrophobicContact CD2-CE1 4.17Å; S265-Y284 WeakPolarHBondContact OG-CE1 3.44Å; S265-Y284 PolarHBondContact OG-OH 2.8Å; R275-Y284 HydrophobicContact CG-CE2 4.19Å; R275-Y284 WeakPolarHBondContact CG-OH 3.15Å; F280-Y284 HydrophobicContact CB-CE2 4.37Å; F280-Y284 WeakPolarHBondContact O-CD2 3.5Å; F280-Y284 VanDerWaalsContact O-CG 3.31Å; F280-Y284 PolarHBondContact O-N 3.47Å; Q281-Y284 PolarHBondContact O-N 3.44Å; I282-Y284 PolarHBondContact O-N 3.23Å; Y284-G288 PolarHBondContact O-N 2.86Å
285G92.1Very high90.2Very high49 Ų4980.5 Ų80.551%0.50541%0.413SS..Hα-helixtrans-61.5-42.2174.600000112.6Q281 I282 C283 F289Q281-G285 PolarHBondContact O-N 3.4Å; I282-G285 PolarHBondContact O-N 3.45Å; C283-G285 VanDerWaalsContact C-N 3.33Å; C283-G285 PolarHBondContact O-N 2.72Å; G285-F289 WeakPolarHBondContact O-CB 3.47Å; G285-F289 PolarHBondContact O-N 3.35Å
286M94.9Very high91.3Very high99 Ų9979.1 Ų79.149%0.48842%0.421SS..Hα-helixtrans-65.9-48.2176.9-176.1-178.467.600112.3I282 C283 F289 M290I282-M286 PolarHBondContact O-N 3.41Å; C283-M286 PolarHBondContact O-N 2.92Å; M286-F289 PolarHBondContact O-N 3.02Å; M286-M290 WeakPolarHBondContact O-CG 3.47Å; M286-M290 PolarHBondContact O-N 2.98Å
287Y94.1Very high92.1Very high84 Ų8477.2 Ų77.233%0.32942%0.417SS..Hα-helixtrans-62.2-44.2176.9-80.6-71.4000111.6W261 C283 F289 M290 D291W261-Y287 HydrophobicContact CZ3-CD2 4.11Å; W261-Y287 HydrophobicContact CZ3-CE2 4.23Å; C283-Y287 VanDerWaalsContact O-CD2 3.23Å; C283-Y287 WeakPolarHBondContact O-CD2 3.43Å; C283-Y287 PolarHBondContact O-N 3.37Å; Y287-F289 VanDerWaalsContact C-N 3.32Å; Y287-F289 PolarHBondContact O-N 3.16Å; Y287-M290 PolarHBondContact O-N 3.28Å; Y287-M290 VanDerWaalsContact O-N 3.17Å; Y287-D291 VanDerWaalsContact O-CG 3.3Å; Y287-D291 PolarHBondContact O-N 2.92Å
288G94.1Very high92.5Very high27 Ų2775.2 Ų75.228%0.27841%0.406SS..Hα-helixtrans-60.7-38.1175.500000113.3Y284 L292Y284-G288 PolarHBondContact O-N 2.86Å; G288-L292 VanDerWaalsContact O-CG 3.31Å; G288-L292 WeakPolarHBondContact O-CG 3.47Å; G288-L292 PolarHBondContact O-N 3.39Å
289F95.8Very high92.8Very high126 Ų12673.5 Ų73.555%0.55340%0.401SS*.Hα-helixtrans-65.9-43.7172.9175.1-97.8000112.3G285 M286 Y287 D291 L292 V293G285-F289 WeakPolarHBondContact O-CB 3.47Å; G285-F289 PolarHBondContact O-N 3.35Å; M286-F289 PolarHBondContact O-N 3.02Å; Y287-F289 VanDerWaalsContact C-N 3.32Å; Y287-F289 PolarHBondContact O-N 3.16Å; F289-D291 VanDerWaalsContact C-N 3.34Å; F289-D291 PolarHBondContact O-N 3.32Å; F289-L292 PolarHBondContact O-N 3.44Å; F289-V293 HydrophobicContact CD1-CG2 4.43Å; F289-V293 HydrophobicContact CE1-CG2 3.94Å; F289-V293 HydrophobicContact CE2-CG2 4.34Å; F289-V293 HydrophobicContact CZ-CG2 3.89Å; F289-V293 WeakPolarHBondContact O-CG2 3.47Å; F289-V293 PolarHBondContact O-N 3.35Å
290M94.6Very high93Very high84 Ų8474 Ų7441%0.41440%0.399SS..Hα-helixtrans-63.3-40.2176.6-67.3-62.2163.100111.8F254 M286 Y287 L292 V293 C294F254-M290 HydrophobicContact CE1-CB 4.36Å; M286-M290 WeakPolarHBondContact O-CG 3.47Å; M286-M290 PolarHBondContact O-N 2.98Å; Y287-M290 PolarHBondContact O-N 3.28Å; Y287-M290 VanDerWaalsContact O-N 3.17Å; M290-L292 PolarHBondContact O-N 2.91Å; M290-V293 PolarHBondContact O-N 2.87Å; M290-C294 PolarHBondContact O-N 3.41Å; M290-C294 PolarHBondContact O-SG 2.69Å; M290-C294 VanDerWaalsContact O-SG 3.4Å
291D95.7Very high93.3Very high11 Ų1173 Ų736%0.05940%0.396CS..Hα-helixtrans-61.5-41.9174.2-70-13.7000111.6S258 L262 Y287 F289 V293 C294 I295S258-D291 WeakPolarHBondContact CB-OD1 3.33Å; S258-D291 VanDerWaalsContact OG-CG 3.25Å; S258-D291 PolarHBondContact OG-OD1 2.97Å; S258-D291 PolarHBondContact OG-OD2 2.95Å; S258-D291 VanDerWaalsContact OG-OD2 3.09Å; L262-D291 WeakPolarHBondContact CD1-OD2 3.43Å; Y287-D291 VanDerWaalsContact O-CG 3.3Å; Y287-D291 PolarHBondContact O-N 2.92Å; F289-D291 VanDerWaalsContact C-N 3.34Å; F289-D291 PolarHBondContact O-N 3.32Å; D291-V293 PolarHBondContact O-N 3.41Å; D291-C294 PolarHBondContact O-N 2.88Å; D291-I295 VanDerWaalsContact O-CG1 3.28Å; D291-I295 WeakPolarHBondContact O-CG1 3.44Å; D291-I295 PolarHBondContact O-N 3.26Å
292L96.1Very high93.4Very high117 Ų11768.6 Ų68.661%0.61338%0.381SS*.Hα-helixtrans-62.1-40.1174.7-72.5172.4000112.4G288 F289 M290 I295 G296G288-L292 VanDerWaalsContact O-CG 3.31Å; G288-L292 WeakPolarHBondContact O-CG 3.47Å; G288-L292 PolarHBondContact O-N 3.39Å; F289-L292 PolarHBondContact O-N 3.44Å; M290-L292 PolarHBondContact O-N 2.91Å; L292-I295 PolarHBondContact O-N 3.44Å; L292-G296 PolarHBondContact O-N 2.92Å
293V95.4Very high93.2Very high65 Ų6565.8 Ų65.839%0.39437%0.374SS..Hα-helixtrans-64.3-43.9173.9174.60000110.6F289 M290 D291 I295 G296 L297F289-V293 HydrophobicContact CD1-CG2 4.43Å; F289-V293 HydrophobicContact CE1-CG2 3.94Å; F289-V293 HydrophobicContact CE2-CG2 4.34Å; F289-V293 HydrophobicContact CZ-CG2 3.89Å; F289-V293 WeakPolarHBondContact O-CG2 3.47Å; F289-V293 PolarHBondContact O-N 3.35Å; M290-V293 PolarHBondContact O-N 2.87Å; D291-V293 PolarHBondContact O-N 3.41Å; V293-I295 PolarHBondContact O-N 2.94Å; V293-G296 PolarHBondContact O-N 3.5Å; V293-L297 HydrophobicContact CG1-CD1 4.25Å; V293-L297 WeakPolarHBondContact O-CG 3.41Å; V293-L297 PolarHBondContact O-N 2.81Å
294C95.4Very high93Very high19 Ų1964 Ų6413%0.12836%0.362CS..Hα-helixtrans-61.6-41.8175-71.40000112.5F254 L255 M290 D291 G296 L297 I298F254-C294 VanDerWaalsContact CD1-SG 3.59Å; L255-C294 HydrophobicContact CB-CB 4.42Å; L255-C294 HydrophobicContact CD1-CB 4.22Å; M290-C294 PolarHBondContact O-N 3.41Å; M290-C294 PolarHBondContact O-SG 2.69Å; M290-C294 VanDerWaalsContact O-SG 3.4Å; D291-C294 PolarHBondContact O-N 2.88Å; C294-G296 VanDerWaalsContact C-N 3.34Å; C294-G296 PolarHBondContact O-N 3.13Å; C294-L297 PolarHBondContact O-N 2.94Å; C294-I298 WeakPolarHBondContact O-CB 3.2Å; C294-I298 WeakPolarHBondContact O-CD1 3.31Å; C294-I298 WeakPolarHBondContact O-CG1 3.44Å; C294-I298 PolarHBondContact O-N 3.3Å
295I95.4Very high92.8Very high70 Ų7062.9 Ų62.936%0.35936%0.361SS..Hα-helixtrans-59.6-46.3172.6-67.2165.9000110.2L255 D291 L292 V293 L297 I298 V299L255-I295 HydrophobicContact CD1-CD1 4.25Å; L255-I295 HydrophobicContact CD1-CG1 3.42Å; L255-I295 VanDerWaalsContact CD1-CG1 3.42Å; D291-I295 VanDerWaalsContact O-CG1 3.28Å; D291-I295 WeakPolarHBondContact O-CG1 3.44Å; D291-I295 PolarHBondContact O-N 3.26Å; L292-I295 PolarHBondContact O-N 3.44Å; V293-I295 PolarHBondContact O-N 2.94Å; I295-L297 PolarHBondContact O-N 3.46Å; I295-I298 PolarHBondContact O-N 2.88Å; I295-V299 HydrophobicContact CG2-CG2 4.28Å; I295-V299 WeakPolarHBondContact O-CG2 3.28Å; I295-V299 PolarHBondContact O-N 3.11Å
296G93.9Very high92.5Very high42 Ų4267.1 Ų67.143%0.43336%0.363SS..Hα-helixtrans-57-47177.800000112.7L292 V293 C294 V299 H300L292-G296 PolarHBondContact O-N 2.92Å; V293-G296 PolarHBondContact O-N 3.5Å; C294-G296 VanDerWaalsContact C-N 3.34Å; C294-G296 PolarHBondContact O-N 3.13Å; G296-V299 PolarHBondContact O-N 3.5Å; G296-H300 WeakPolarHBondContact O-CB 3.44Å; G296-H300 PolarHBondContact O-N 3.28Å
297L91.4Very high92.1Very high101 Ų10169.5 Ų69.553%0.52937%0.367SS..Hα-helixtrans-64.2-43176.1-67.7172.6000112.3V293 C294 I295 V299 H300 E301V293-L297 HydrophobicContact CG1-CD1 4.25Å; V293-L297 WeakPolarHBondContact O-CG 3.41Å; V293-L297 PolarHBondContact O-N 2.81Å; C294-L297 PolarHBondContact O-N 2.94Å; I295-L297 PolarHBondContact O-N 3.46Å; L297-V299 VanDerWaalsContact C-N 3.31Å; L297-V299 PolarHBondContact O-N 2.8Å; L297-H300 PolarHBondContact O-N 3.5Å; L297-E301 WeakPolarHBondContact O-CB 3.42Å; L297-E301 WeakPolarHBondContact O-CG 3.45Å; L297-E301 PolarHBondContact O-N 3.07Å
298I93.6Very high91.7Very high43 Ų4366.1 Ų66.122%0.22135%0.354CS..Hα-helixtrans-63.7-36.7177.1-68.9165000111.2L255 C294 I295 G302L255-I298 HydrophobicContact CD1-CD1 4.17Å; C294-I298 WeakPolarHBondContact O-CB 3.2Å; C294-I298 WeakPolarHBondContact O-CD1 3.31Å; C294-I298 WeakPolarHBondContact O-CG1 3.44Å; C294-I298 PolarHBondContact O-N 3.3Å; I295-I298 PolarHBondContact O-N 2.88Å; I298-G302 WeakPolarHBondContact O-CA 3.25Å; I298-G302 PolarHBondContact O-N 3.39Å
299V93.7Very high91.2Very high89 Ų8969.5 Ų69.554%0.53936%0.362SS..Hα-helixtrans-72.2-42.7176.5171.60000111.3I295 G296 L297I295-V299 HydrophobicContact CG2-CG2 4.28Å; I295-V299 WeakPolarHBondContact O-CG2 3.28Å; I295-V299 PolarHBondContact O-N 3.11Å; G296-V299 PolarHBondContact O-N 3.5Å; L297-V299 VanDerWaalsContact C-N 3.31Å; L297-V299 PolarHBondContact O-N 2.8Å
300H91.7Very high90.6Very high140 Ų14068.5 Ų68.565%0.64836%0.357SS*.Hα-helixtrans-63.5-56178.7-174.1-96.7000111.9G296 L297 G302G296-H300 WeakPolarHBondContact O-CB 3.44Å; G296-H300 PolarHBondContact O-N 3.28Å; L297-H300 PolarHBondContact O-N 3.5Å; H300-G302 VanDerWaalsContact C-N 3.33Å; H300-G302 PolarHBondContact O-N 2.91Å
301E90.8Very high90.1Very high44 Ų4471.3 Ų71.321%0.20636%0.363CS..Hα-helixtrans-75.6-23-179.8-59.2-52.3133.700112.8Q244 V248 L297 A303 A304 V305Q244-E301 WeakPolarHBondContact CG-OE2 3.19Å; Q244-E301 PolarHBondContact NE2-OE2 3.03Å; V248-E301 HydrophobicContact CG2-CB 3.58Å; L297-E301 WeakPolarHBondContact O-CB 3.42Å; L297-E301 WeakPolarHBondContact O-CG 3.45Å; L297-E301 PolarHBondContact O-N 3.07Å; E301-A303 PolarHBondContact O-N 3.19Å; E301-A303 VanDerWaalsContact O-N 3.14Å; E301-A304 WeakPolarHBondContact O-CB 3.33Å; E301-A304 PolarHBondContact O-N 3.48Å; E301-V305 PolarHBondContact O-N 3.48Å
302G88.6Confident89.6Confident22 Ų2273.3 Ų73.323%0.22737%0.37CS..Hα-helixtrans-58.3-27.5179.700000113.7I298 H300 V305 Y306I298-G302 WeakPolarHBondContact O-CA 3.25Å; I298-G302 PolarHBondContact O-N 3.39Å; H300-G302 VanDerWaalsContact C-N 3.33Å; H300-G302 PolarHBondContact O-N 2.91Å; G302-V305 PolarHBondContact O-N 2.95Å; G302-Y306 VanDerWaalsContact O-CB 3.24Å; G302-Y306 WeakPolarHBondContact O-CB 3.35Å; G302-Y306 PolarHBondContact O-N 3.49Å
303A87.4Confident88.8Confident51 Ų5172.6 Ų72.642%0.42136%0.359SS..Hα-helixtrans-63.5-38.5172.400000112.5E301 R307E301-A303 PolarHBondContact O-N 3.19Å; E301-A303 VanDerWaalsContact O-N 3.14Å; A303-R307 WeakPolarHBondContact O-CG 3.33Å; A303-R307 PolarHBondContact O-N 2.97Å
304A87.1Confident88.1Confident7 Ų770.9 Ų70.96%0.05835%0.352CS..Hα-helixtrans-69.9-47.8175.700000111.1E301 Y306 R307 V308E301-A304 WeakPolarHBondContact O-CB 3.33Å; E301-A304 PolarHBondContact O-N 3.48Å; A304-Y306 VanDerWaalsContact C-N 3.29Å; A304-Y306 PolarHBondContact O-N 3.43Å; A304-R307 WeakPolarHBondContact O-CB 3.28Å; A304-R307 PolarHBondContact O-N 2.89Å; A304-R307 VanDerWaalsContact O-N 3.1Å; A304-V308 PolarHBondContact O-N 3.37Å; A304-V308 VanDerWaalsContact O-N 3.08Å
305V86.3Confident87.2Confident31 Ų3172.7 Ų72.719%0.18836%0.362CS..Hα-helixtrans-54.4-44.9174.71730000111.4M245 V248 E301 G302 R307 V308 F309M245-V305 HydrophobicContact CE-CG1 4.14Å; M245-V305 HydrophobicContact SD-CB 3.99Å; M245-V305 HydrophobicContact SD-CG1 3.61Å; M245-V305 HydrophobicContact SD-CG2 3.66Å; V248-V305 HydrophobicContact CB-CG2 4.18Å; V248-V305 HydrophobicContact CG1-CG2 4.39Å; V248-V305 HydrophobicContact CG2-CG2 3.87Å; E301-V305 PolarHBondContact O-N 3.48Å; G302-V305 PolarHBondContact O-N 2.95Å; V305-R307 PolarHBondContact O-N 3.24Å; V305-V308 PolarHBondContact O-N 3.48Å; V305-F309 WeakPolarHBondContact O-CB 3.45Å; V305-F309 PolarHBondContact O-N 3.03Å
306Y86.3Confident86.5Confident137 Ų13769.4 Ų69.454%0.53735%0.345SS..Hα-helixtrans-63.2-39.1178.1-178.2-95.6000112.8G302 A304 F309 K310G302-Y306 VanDerWaalsContact O-CB 3.24Å; G302-Y306 WeakPolarHBondContact O-CB 3.35Å; G302-Y306 PolarHBondContact O-N 3.49Å; A304-Y306 VanDerWaalsContact C-N 3.29Å; A304-Y306 PolarHBondContact O-N 3.43Å; Y306-F309 PolarHBondContact O-N 3.47Å; Y306-K310 WeakPolarHBondContact O-CB 3.36Å; Y306-K310 PolarHBondContact O-N 3.22Å
307R86.8Confident85.9Confident150 Ų15068.8 Ų68.857%0.56633%0.332SS*.Hα-helixtrans-63.2-43.8174.5-72.3-176.2-61.4-121.33.5111.6A303 A304 V305 K310 R311A303-R307 WeakPolarHBondContact O-CG 3.33Å; A303-R307 PolarHBondContact O-N 2.97Å; A304-R307 WeakPolarHBondContact O-CB 3.28Å; A304-R307 PolarHBondContact O-N 2.89Å; A304-R307 VanDerWaalsContact O-N 3.1Å; V305-R307 PolarHBondContact O-N 3.24Å; R307-K310 PolarHBondContact O-N 3.05Å; R307-R311 WeakPolarHBondContact O-CG 3.25Å; R307-R311 PolarHBondContact O-N 3.47Å; R307-R311 VanDerWaalsContact O-N 3.1Å
308V86.3Confident85Confident12 Ų1268.2 Ų68.27%0.07333%0.326CS..Hα-helixtrans-62.2-47.1175.51780000110.6I237 E241 A304 V305 K310 R311 W312I237-V308 HydrophobicContact CG1-CG1 4.49Å; E241-V308 HydrophobicContact CB-CG2 3.96Å; E241-V308 HydrophobicContact CG-CG2 3.66Å; E241-V308 WeakPolarHBondContact OE1-CG2 3.46Å; A304-V308 PolarHBondContact O-N 3.37Å; A304-V308 VanDerWaalsContact O-N 3.08Å; V305-V308 PolarHBondContact O-N 3.48Å; V308-K310 VanDerWaalsContact C-N 3.35Å; V308-K310 PolarHBondContact O-N 2.83Å; V308-R311 WeakPolarHBondContact O-CB 3.05Å; V308-R311 PolarHBondContact O-N 2.89Å; V308-W312 PolarHBondContact O-N 3.38Å
309F83.8Confident84.4Confident98 Ų9869.7 Ų69.743%0.4333%0.329SS..Hα-helixtrans-61.5-39.9177.4-176.9-105.6000112.6V305 Y306 R311 W312 R313V305-F309 WeakPolarHBondContact O-CB 3.45Å; V305-F309 PolarHBondContact O-N 3.03Å; Y306-F309 PolarHBondContact O-N 3.47Å; F309-R311 PolarHBondContact O-N 3.4Å; F309-W312 AromaticContact CD2-CE3 3.94Å; F309-W312 HydrophobicContact CD2-CE3 3.94Å; F309-W312 HydrophobicContact CD2-CZ3 4.37Å; F309-W312 AromaticContact CE2-CE3 3.73Å; F309-W312 HydrophobicContact CE2-CE3 3.73Å; F309-W312 AromaticContact CE2-CZ3 3.69Å; F309-W312 HydrophobicContact CE2-CZ3 3.69Å; F309-W312 HydrophobicContact CZ-CZ3 4.3Å; F309-W312 PolarHBondContact O-N 3.29Å; F309-R313 VanDerWaalsContact O-CB 3.26Å; F309-R313 WeakPolarHBondContact O-CB 3.33Å; F309-R313 PolarHBondContact O-N 2.99Å
310K83.4Confident83.8Confident105 Ų10567.9 Ų67.946%0.45732%0.316SS..Hα-helixtrans-61.3-43.4175-173-179.3178-1760111.6Y306 R307 V308 A314Y306-K310 WeakPolarHBondContact O-CB 3.36Å; Y306-K310 PolarHBondContact O-N 3.22Å; R307-K310 PolarHBondContact O-N 3.05Å; V308-K310 VanDerWaalsContact C-N 3.35Å; V308-K310 PolarHBondContact O-N 2.83Å; K310-A314 WeakPolarHBondContact O-CB 3.2Å; K310-A314 PolarHBondContact O-N 3.24Å; K310-A314 VanDerWaalsContact O-N 3.09Å
311R84.1Confident83.5Confident144 Ų14461.5 Ų61.554%0.54329%0.287SS..Hα-helixtrans-63.7-48.6174.9-70.7172.9176.7161.3-3.3111.7E241 R307 V308 F309 R313 A314 V315E241-R311 IonicContact OE1-NH1 2.69Å; E241-R311 PolarHBondContact OE1-NH1 3.26Å; R307-R311 WeakPolarHBondContact O-CG 3.25Å; R307-R311 PolarHBondContact O-N 3.47Å; R307-R311 VanDerWaalsContact O-N 3.1Å; V308-R311 WeakPolarHBondContact O-CB 3.05Å; V308-R311 PolarHBondContact O-N 2.89Å; F309-R311 PolarHBondContact O-N 3.4Å; R311-R313 PolarHBondContact O-N 3.29Å; R311-A314 WeakPolarHBondContact O-CB 3.43Å; R311-A314 PolarHBondContact O-N 2.85Å; R311-V315 PolarHBondContact O-N 3.47Å
312W83.4Confident83.3Confident52 Ų5262.8 Ų62.820%0.19730%0.295CS..Hα-helixtrans-58.4-46.2177.4172.885.5000111.9M226 W232 V308 F309 A314 V315 N316M226-W312 HydrophobicContact CE-CH2 3.99Å; M226-W312 HydrophobicContact SD-CH2 4.15Å; M226-W312 HydrophobicContact SD-CZ3 4.25Å; W232-W312 AromaticContact CD2-CZ2 3.79Å; W232-W312 HydrophobicContact CD2-CZ2 3.79Å; W232-W312 AromaticContact CE3-CZ2 3.74Å; W232-W312 HydrophobicContact CE3-CZ2 3.74Å; W232-W312 HydrophobicContact CG-CZ2 4.38Å; W232-W312 HydrophobicContact CH2-CH2 4.28Å; W232-W312 HydrophobicContact CH2-CZ2 4.26Å; W232-W312 HydrophobicContact CZ2-CH2 4.25Å; W232-W312 HydrophobicContact CZ2-CZ2 4.31Å; W232-W312 HydrophobicContact CZ3-CH2 4.42Å; W232-W312 AromaticContact CZ3-CZ2 3.98Å; W232-W312 HydrophobicContact CZ3-CZ2 3.98Å; V308-W312 PolarHBondContact O-N 3.38Å; F309-W312 AromaticContact CD2-CE3 3.94Å; F309-W312 HydrophobicContact CD2-CE3 3.94Å; F309-W312 HydrophobicContact CD2-CZ3 4.37Å; F309-W312 AromaticContact CE2-CE3 3.73Å; F309-W312 HydrophobicContact CE2-CE3 3.73Å; F309-W312 AromaticContact CE2-CZ3 3.69Å; F309-W312 HydrophobicContact CE2-CZ3 3.69Å; F309-W312 HydrophobicContact CZ-CZ3 4.3Å; F309-W312 PolarHBondContact O-N 3.29Å; W312-A314 VanDerWaalsContact C-N 3.29Å; W312-A314 PolarHBondContact O-N 3.17Å; W312-V315 PolarHBondContact O-N 2.91Å; W312-N316 VanDerWaalsContact CD1-ND2 3.27Å; W312-N316 HydrophobicContact CD2-CB 4.37Å; W312-N316 HydrophobicContact CH2-CB 4.34Å; W312-N316 HydrophobicContact CZ2-CB 3.94Å; W312-N316 PolarHBondContact NE1-ND2 2.89Å; W312-N316 VanDerWaalsContact NE1-ND2 3.13Å; W312-N316 WeakPolarHBondContact O-CB 3.35Å; W312-N316 PolarHBondContact O-N 2.68Å; W312-N316 PolarHBondContact O-ND2 3.23Å
313R80.8Confident83.3Confident102 Ų10265.5 Ų65.539%0.38531%0.305SS..Hα-helixtrans-63-35.6178.6-170.3177.172-165.83.4111.8F309 R311 V315 N316 L317F309-R313 VanDerWaalsContact O-CB 3.26Å; F309-R313 WeakPolarHBondContact O-CB 3.33Å; F309-R313 PolarHBondContact O-N 2.99Å; R311-R313 PolarHBondContact O-N 3.29Å; R313-V315 VanDerWaalsContact C-N 3.27Å; R313-V315 PolarHBondContact O-N 2.93Å; R313-N316 PolarHBondContact O-N 2.97Å; R313-L317 WeakPolarHBondContact O-CB 3.28Å; R313-L317 PolarHBondContact O-N 3.2Å; R313-L317 VanDerWaalsContact O-N 3.1Å
314A79.4Confident83.2Confident29 Ų2965 Ų6524%0.2429%0.292CS..Hα-helixtrans-61.2-34.517800000112.9K310 R311 W312 W319 M397K310-A314 WeakPolarHBondContact O-CB 3.2Å; K310-A314 PolarHBondContact O-N 3.24Å; K310-A314 VanDerWaalsContact O-N 3.09Å; R311-A314 WeakPolarHBondContact O-CB 3.43Å; R311-A314 PolarHBondContact O-N 2.85Å; W312-A314 VanDerWaalsContact C-N 3.29Å; W312-A314 PolarHBondContact O-N 3.17Å; A314-W319 PolarHBondContact O-NE1 2.96Å; A314-M397 HydrophobicContact CB-CE 3.61Å; A314-M397 VanDerWaalsContact O-CE 3.25Å; A314-M397 WeakPolarHBondContact O-CE 3.29Å
315V76.9Confident83Confident58 Ų5868.7 Ų68.735%0.35231%0.311SS..Hα-helixtrans-90.4-30.3-179.8179.40000112.9K227 Q233 I235 R311 W312 R313K227-V315 PolarHBondContact NZ-O 2.95Å; Q233-V315 HydrophobicContact CB-CG1 3.92Å; I235-V315 HydrophobicContact CD1-CB 4.34Å; I235-V315 HydrophobicContact CD1-CG2 3.69Å; R311-V315 PolarHBondContact O-N 3.47Å; W312-V315 PolarHBondContact O-N 2.91Å; R313-V315 VanDerWaalsContact C-N 3.27Å; R313-V315 PolarHBondContact O-N 2.93Å
316N81.1Confident82.7Confident0 Ų073.7 Ų73.70%033%0.33CS..Hα-helixtrans-92.82.2-177.4-72.8-75.1000114.5K227 W232 Q233 W312 R313K227-N316 PolarHBondContact N-O 3.44Å; W232-N316 WeakPolarHBondContact CA-OD1 3.46Å; W232-N316 WeakPolarHBondContact CB-OD1 3.42Å; Q233-N316 PolarHBondContact N-OD1 3.32Å; Q233-N316 PolarHBondContact O-ND2 2.97Å; Q233-N316 PolarHBondContact O-OD1 2.92Å; W312-N316 VanDerWaalsContact CD1-ND2 3.27Å; W312-N316 HydrophobicContact CD2-CB 4.37Å; W312-N316 HydrophobicContact CH2-CB 4.34Å; W312-N316 HydrophobicContact CZ2-CB 3.94Å; W312-N316 PolarHBondContact NE1-ND2 2.89Å; W312-N316 VanDerWaalsContact NE1-ND2 3.13Å; W312-N316 WeakPolarHBondContact O-CB 3.35Å; W312-N316 PolarHBondContact O-N 2.68Å; W312-N316 PolarHBondContact O-ND2 3.23Å; R313-N316 PolarHBondContact O-N 2.97Å
317L80.6Confident82Confident30 Ų3070 Ų7016%0.15733%0.328CS..EExtended strand (participates in β ladder)trans-99.7139.9174.2-175.5139.2000110.9A223 R313 W319A223-L317 HydrophobicContact CB-CD1 3.88Å; A223-L317 HydrophobicContact CB-CD2 3.35Å; A223-L317 HydrophobicContact CB-CG 4.19Å; R313-L317 WeakPolarHBondContact O-CB 3.28Å; R313-L317 PolarHBondContact O-N 3.2Å; R313-L317 VanDerWaalsContact O-N 3.1Å; L317-W319 HydrophobicContact CD2-CD2 3.96Å; L317-W319 HydrophobicContact CD2-CE3 4.37Å; L317-W319 HydrophobicContact CD2-CG 4.32Å; L317-W319 HydrophobicContact CD2-CZ2 4.19Å
318H74.3Confident81.2Confident89 Ų8966.9 Ų66.941%0.41233%0.326SS..EExtended strand (participates in β ladder)trans-87.5124.5174.5-173.380.5000109.8Q197 I224 K225Q197-H318 PolarHBondContact NE2-NE2 2.92Å; I224-H318 PolarHBondContact N-O 3.01Å; K225-H318 WeakPolarHBondContact O-CB 3.2Å; K225-H318 PolarHBondContact O-N 3.41Å
319W79.2Confident80.4Confident74 Ų7468.3 Ų68.328%0.2833%0.333SS..EExtended strand (participates in β ladder)trans-96123.2179.4-63.793.7000109.3Q197 L201 V221 A223 A314 L317 M397Q197-W319 PolarHBondContact NE2-O 3.09Å; L201-W319 HydrophobicContact CD1-CB 4.02Å; L201-W319 HydrophobicContact CD2-CB 4.08Å; V221-W319 HydrophobicContact CG1-CB 4.13Å; V221-W319 HydrophobicContact CG1-CE3 3.99Å; A223-W319 HydrophobicContact CB-CE3 4.31Å; A223-W319 HydrophobicContact CB-CZ3 4.09Å; A314-W319 PolarHBondContact O-NE1 2.96Å; L317-W319 HydrophobicContact CD2-CD2 3.96Å; L317-W319 HydrophobicContact CD2-CE3 4.37Å; L317-W319 HydrophobicContact CD2-CG 4.32Å; L317-W319 HydrophobicContact CD2-CZ2 4.19Å; W319-M397 HydrophobicContact CZ2-CE 3.65Å; W319-M397 HydrophobicContact CZ2-SD 4.36Å
320D82.2Confident79.8Confident50 Ų5068.4 Ų68.427%0.26734%0.337SS..EExtended strand (participates in β ladder)trans-107.8148.2174.3-165.811.1000110.2V221 I222 I224V221-D320 CarbonylContact C-O 3.55Å; V221-D320 WeakPolarHBondContact CA-O 3.34Å; V221-D320 WeakPolarHBondContact CG1-O 3.32Å; I222-D320 HydrophobicContact CG1-CB 4.44Å; I222-D320 PolarHBondContact N-O 2.93Å; I222-D320 PolarHBondContact O-N 3.43Å; I224-D320 HydrophobicContact CD1-CB 3.34Å; I224-D320 WeakPolarHBondContact CD1-OD2 3.21Å; I224-D320 HydrophobicContact CG1-CB 3.67Å
321V85.3Confident79.1Confident6 Ų668.2 Ų68.24%0.03634%0.338CS..EExtended strand (participates in β ladder)trans-114.6115.6-178.4-175.30000108.2L183 P185 Q197 L200 L201 V221L183-V321 HydrophobicContact CD1-CB 3.64Å; L183-V321 HydrophobicContact CD1-CG1 3.37Å; P185-V321 HydrophobicContact CB-CG1 4.03Å; Q197-V321 HydrophobicContact CG-CB 4.48Å; Q197-V321 HydrophobicContact CG-CG2 4.06Å; L200-V321 HydrophobicContact CD2-CB 4.48Å; L200-V321 HydrophobicContact CD2-CG1 3.63Å; L200-V321 HydrophobicContact CD2-CG2 4.23Å; L201-V321 HydrophobicContact CD2-CG2 4.02Å; L201-V321 HydrophobicContact CG-CG2 4.08Å; V221-V321 HydrophobicContact CG1-CG2 4.24Å; V221-V321 HydrophobicContact CG2-CG1 4.46Å; V221-V321 HydrophobicContact CG2-CG2 4.13Å
322L85.7Confident78Confident71 Ų7168.4 Ų68.437%0.37235%0.345SS..PPolyproline II helixtrans-68.3139.1176.3-93.568.1000111H220 I222H220-L322 HydrophobicContact CB-CB 4.28Å; H220-L322 PolarHBondContact O-N 3.21Å; I222-L322 HydrophobicContact CD1-CD1 3.43Å; I222-L322 VanDerWaalsContact CD1-CD1 3.43Å; I222-L322 HydrophobicContact CG1-CD1 3.56Å; I222-L322 HydrophobicContact CG2-CD1 4.28Å
323N88.9Confident77Confident80 Ų8069.8 Ų69.843%0.42836%0.363SS..PPolyproline II helixtrans-57.8136.2159.9-82.1-68.3000109.9L183 N184 D325L183-N323 WeakPolarHBondContact CA-OD1 3.16Å; L183-N323 WeakPolarHBondContact CB-OD1 3.27Å; N184-N323 PolarHBondContact N-OD1 2.86Å; N184-N323 PolarHBondContact ND2-OD1 2.67Å; N323-D325 PolarHBondContact O-N 2.7Å
324Y86.5Confident76.1Confident39 Ų3969.1 Ų69.115%0.15337%0.374CS..PPolyproline II helixtrans-66.9116.2166.3170.6-101.9000109.1N184 R187 Y217 K326 D329N184-Y324 WeakPolarHBondContact O-CB 3.35Å; N184-Y324 PolarHBondContact O-N 3.44Å; R187-Y324 HydrophobicContact CB-CE1 4.5Å; R187-Y324 HydrophobicContact CG-CD1 4.31Å; R187-Y324 HydrophobicContact CG-CD2 4.26Å; R187-Y324 HydrophobicContact CG-CE1 3.83Å; R187-Y324 HydrophobicContact CG-CE2 3.75Å; R187-Y324 PolarHBondContact NH1-OH 3.42Å; Y217-Y324 HydrophobicContact CD1-CD2 4.25Å; Y217-Y324 AromaticContact CE1-CD2 3.59Å; Y217-Y324 HydrophobicContact CE1-CD2 3.59Å; Y217-Y324 HydrophobicContact CE1-CE2 4.34Å; Y217-Y324 HydrophobicContact CE1-CG 4.35Å; Y217-Y324 HydrophobicContact CE2-CD2 4.19Å; Y217-Y324 HydrophobicContact CE2-CE2 4.15Å; Y217-Y324 AromaticContact CZ-CD2 3.55Å; Y217-Y324 AromaticContact CZ-CE2 3.95Å; Y324-K326 HydrophobicContact CE1-CB 4.01Å; Y324-K326 HydrophobicContact CE1-CG 4.38Å; Y324-D329 HydrophobicContact CE2-CB 4.2Å
325D83.1Confident75.1Confident85 Ų8577.1 Ų77.146%0.45540%0.397SS..PPolyproline II helixtrans-90.6133.1166.1-173.60000109.3N323 A327 T328N323-D325 PolarHBondContact O-N 2.7Å; D325-A327 WeakPolarHBondContact OD1-CB 3.23Å; D325-A327 PolarHBondContact OD1-N 3.44Å; D325-T328 HydrophobicContact CB-CG2 4.24Å; D325-T328 PolarHBondContact O-OG1 3.49Å
326K78.1Confident74.1Confident136 Ų13676.6 Ų76.659%0.59140%0.403SS*.Hα-helixtrans-78.7-24.3177.1-166.4173.4-175.3172.30111.9Y324 I330Y324-K326 HydrophobicContact CE1-CB 4.01Å; Y324-K326 HydrophobicContact CE1-CG 4.38Å; K326-I330 HydrophobicContact CG-CD1 4.08Å; K326-I330 WeakPolarHBondContact O-CD1 3.39Å; K326-I330 VanDerWaalsContact O-CG1 3.28Å; K326-I330 WeakPolarHBondContact O-CG1 3.49Å; K326-I330 PolarHBondContact O-N 3.46Å
327A71.7Confident72.4Confident61 Ų6183.3 Ų83.350%0.50444%0.435SS..Hα-helixtrans-70.6-43.9-17900000112D325 D329 I330 E331D325-A327 WeakPolarHBondContact OD1-CB 3.23Å; D325-A327 PolarHBondContact OD1-N 3.44Å; A327-D329 VanDerWaalsContact C-N 3.34Å; A327-D329 PolarHBondContact O-N 2.9Å; A327-I330 PolarHBondContact O-N 2.86Å; A327-E331 PolarHBondContact O-N 2.67Å
328T70.2Confident70.5Confident83 Ų8388.4 Ų88.451%0.50947%0.473SS..Hα-helixtrans-62.1-39.7-179.153.40000112.5D325 E331 E332D325-T328 HydrophobicContact CB-CG2 4.24Å; D325-T328 PolarHBondContact O-OG1 3.49Å; T328-E331 PolarHBondContact O-N 3.45Å; T328-E332 PolarHBondContact O-N 3.27Å
329D69.8Low68.8Low43 Ų4387.8 Ų87.823%0.2348%0.479CS..Hα-helixtrans-68.5-38.9175.6177.172.8000113.8R187 Y324 A327 E331 E332 S333R187-D329 IonicContact CZ-OD1 3.88Å; R187-D329 IonicContact CZ-OD2 3.74Å; R187-D329 IonicContact NH1-OD1 2.67Å; R187-D329 PolarHBondContact NH1-OD1 3.35Å; R187-D329 IonicContact NH1-OD2 3.93Å; R187-D329 PolarHBondContact NH1-OD2 2.92Å; R187-D329 IonicContact NH2-OD1 3.3Å; R187-D329 PolarHBondContact NH2-OD1 3.03Å; R187-D329 IonicContact NH2-OD2 2.81Å; Y324-D329 HydrophobicContact CE2-CB 4.2Å; A327-D329 VanDerWaalsContact C-N 3.34Å; A327-D329 PolarHBondContact O-N 2.9Å; D329-E331 PolarHBondContact O-N 3.22Å; D329-E332 PolarHBondContact O-N 2.86Å; D329-S333 WeakPolarHBondContact O-CB 3.36Å; D329-S333 PolarHBondContact O-N 3.34Å
330I72.1Confident67Low99 Ų9990 Ų9051%0.50850%0.501SS..Hα-helixtrans-64.6-34.2176.1-67.7167.3000109.9K326 A327 S334K326-I330 HydrophobicContact CG-CD1 4.08Å; K326-I330 WeakPolarHBondContact O-CD1 3.39Å; K326-I330 VanDerWaalsContact O-CG1 3.28Å; K326-I330 WeakPolarHBondContact O-CG1 3.49Å; K326-I330 PolarHBondContact O-N 3.46Å; A327-I330 PolarHBondContact O-N 2.86Å; I330-S334 VanDerWaalsContact O-CB 3.31Å; I330-S334 WeakPolarHBondContact O-CB 3.11Å; I330-S334 PolarHBondContact O-N 3.31Å; I330-S334 PolarHBondContact O-OG 3.38Å
331E67.7Low64.7Low102 Ų10292.9 Ų92.948%0.47752%0.524SS..Hα-helixtrans-68-45.7172.4-153.9-166131.900112.1A327 T328 D329 S333 S334 R335A327-E331 PolarHBondContact O-N 2.67Å; T328-E331 PolarHBondContact O-N 3.45Å; D329-E331 PolarHBondContact O-N 3.22Å; E331-S333 PolarHBondContact O-N 3.29Å; E331-S334 WeakPolarHBondContact CA-OG 3.48Å; E331-S334 PolarHBondContact O-N 3.48Å; E331-S334 PolarHBondContact O-OG 3.49Å; E331-S334 VanDerWaalsContact O-OG 3.12Å; E331-R335 HydrophobicContact CG-CG 4.42Å; E331-R335 WeakPolarHBondContact O-CB 3.15Å; E331-R335 VanDerWaalsContact O-CG 3.25Å; E331-R335 WeakPolarHBondContact O-CG 3.26Å; E331-R335 PolarHBondContact O-N 2.95Å; E331-R335 WeakPolarHBondContact OE1-CD 3.34Å; E331-R335 IonicContact OE1-CZ 3.4Å; E331-R335 IonicContact OE1-NE 3.47Å; E331-R335 IonicContact OE1-NH1 2.64Å; E331-R335 PolarHBondContact OE1-NH1 3.36Å
332E61.3Low63Low148 Ų148104.6 Ų104.669%0.69257%0.568SS**Hα-helixtrans-58.7-46.6175.5-16783.9-130.700111.2T328 D329 S334 R335 G336T328-E332 PolarHBondContact O-N 3.27Å; D329-E332 PolarHBondContact O-N 2.86Å; E332-S334 PolarHBondContact O-N 2.99Å; E332-R335 PolarHBondContact O-N 3.4Å; E332-G336 VanDerWaalsContact O-CA 3.31Å; E332-G336 WeakPolarHBondContact O-CA 3.38Å; E332-G336 PolarHBondContact O-N 3.04Å
333S62.8Low60.6Low81 Ų81107.7 Ų107.757%0.56659%0.59SS**Hα-helixtrans-67.1-31178.5-179.50000113.4D329 E331D329-S333 WeakPolarHBondContact O-CB 3.36Å; D329-S333 PolarHBondContact O-N 3.34Å; E331-S333 PolarHBondContact O-N 3.29Å
334S60.6Low57.9Low88 Ų88112 Ų11262%0.61561%0.612SS**Hα-helixtrans-85.6-28.4178.654.40000113.2I330 E331 E332I330-S334 VanDerWaalsContact O-CB 3.31Å; I330-S334 WeakPolarHBondContact O-CB 3.11Å; I330-S334 PolarHBondContact O-N 3.31Å; I330-S334 PolarHBondContact O-OG 3.38Å; E331-S334 WeakPolarHBondContact CA-OG 3.48Å; E331-S334 PolarHBondContact O-N 3.48Å; E331-S334 PolarHBondContact O-OG 3.49Å; E331-S334 VanDerWaalsContact O-OG 3.12Å; E332-S334 PolarHBondContact O-N 2.99Å
335R58.7Low55.8Low197 Ų197120 Ų12074%0.74364%0.642SS**Hα-helixtrans-75.2-15.9165.9-65.6171.574.1155.32.3111.9E331 E332E331-R335 HydrophobicContact CG-CG 4.42Å; E331-R335 WeakPolarHBondContact O-CB 3.15Å; E331-R335 VanDerWaalsContact O-CG 3.25Å; E331-R335 WeakPolarHBondContact O-CG 3.26Å; E331-R335 PolarHBondContact O-N 2.95Å; E331-R335 WeakPolarHBondContact OE1-CD 3.34Å; E331-R335 IonicContact OE1-CZ 3.4Å; E331-R335 IonicContact OE1-NE 3.47Å; E331-R335 IonicContact OE1-NH1 2.64Å; E331-R335 PolarHBondContact OE1-NH1 3.36Å; E332-R335 PolarHBondContact O-N 3.4Å
336G57.3Low53.2Low46 Ų46123.7 Ų123.747%0.47466%0.661SS.*SBendtrans-106.54.7-167.400000118E332E332-G336 VanDerWaalsContact O-CA 3.31Å; E332-G336 WeakPolarHBondContact O-CA 3.38Å; E332-G336 PolarHBondContact O-N 3.04Å
337E45.4Very low51.6Low141 Ų141122.3 Ų122.366%0.65967%0.666SS**  trans-160.8105.6166.4-119.3158.370.300116.6
338S39.7Very low49.6Very low137 Ų137127 Ų12796%0.95868%0.682SS**  trans-99.973.3141.6-1750000108
339S39.7Very low48.2Very low76 Ų76130.4 Ų130.453%0.53170%0.703SS.*SBendtrans-163.559.2172.2-174.10000112.9
340T40.3Very low46.7Very low121 Ų121131.6 Ų131.674%0.74272%0.718SS**  trans49.4119149.155.60000120.7
341S34.9Very low44.9Very low110 Ų110135.4 Ų135.477%0.76974%0.739SS**  trans91.3104137.4-57.40000119.4T343S341-T343 PolarHBondContact O-N 3.12Å
342R49.3Very low43.2Very low252 Ų252139.5 Ų139.595%0.95175%0.75SS**  trans-51120.9161.6-71.6170158.8141.3-6.4112.5
343T34.3Very low42.2Very low136 Ų136139 Ų13983%0.83475%0.752SS**  trans-144.5142.4148.4380000110.9S341S341-T343 PolarHBondContact O-N 3.12Å
344L32.9Very low40.6Very low170 Ų170144.7 Ų144.789%0.8976%0.761SS**  trans8.3146.3172.7-90.970.4000122.9
345W42.9Very low39.4Very low208 Ų208147.5 Ų147.579%0.78877%0.769SS**  trans-70.9153.5168-75.677.5000113.8
346L27.5Very low38Very low162 Ų162144.8 Ų144.885%0.84877%0.769SS**  trans122.8152.1160.5-70.3161000114.3
347P45Very low36.7Very low108 Ų108149.4 Ų149.470%0.70179%0.788SS**  trans-98.1136.5-130.134.9-36.1000114.6
348L28.5Very low35.8Very low160 Ų160150 Ų15084%0.83879%0.79SS**  trans-126.9103.7160.5-82.6168.2000110.2A350L348-A350 PolarHBondContact O-N 3.35Å
349T41.1Very low35.5Very low154 Ų154148.7 Ų148.795%0.94578%0.778SS**  trans-67.667.216030.70000110.4
350A38Very low35Very low67 Ų67151.6 Ų151.655%0.55479%0.793SS**  trans-160.6139.4168.800000110.6L348L348-A350 PolarHBondContact O-N 3.35Å
351L34.6Very low34.6Very low179 Ų179153.7 Ų153.794%0.93779%0.794SS**  trans71.6102.7179.3-50.2165.3000113.4
352R31.8Very low34.4Very low188 Ų188156.7 Ų156.771%0.70980%0.801SS**  -164.3111.361.1175.1162.958.9-167.3-1.3110.5R354R352-R354 PolarHBondContact O-N 2.93Å; R352-R354 VanDerWaalsContact O-N 3.12Å
353N40.2Very low33.5Very low138 Ų138150.1 Ų150.174%0.73879%0.789SS**  trans-58.6114.6164.9-178.61.5000108.6N355N353-N355 PolarHBondContact OD1-N 2.83Å; N353-N355 PolarHBondContact OD1-ND2 2.7Å
354R31.1Very low33.3Very low200 Ų200148.2 Ų148.276%0.75578%0.781SS**  trans-133.358.9173-125.1-178177.1-179-2.4110.5R352 L356R352-R354 PolarHBondContact O-N 2.93Å; R352-R354 VanDerWaalsContact O-N 3.12Å; R354-L356 VanDerWaalsContact C-N 3.29Å; R354-L356 PolarHBondContact O-N 3.45Å
355N33.3Very low33.7Very low147 Ų147145.7 Ų145.779%0.78678%0.775SS**  trans-61.193.2155.9-83.7-83.2000109.3N353N353-N355 PolarHBondContact OD1-N 2.83Å; N353-N355 PolarHBondContact OD1-ND2 2.7Å
356L30.8Very low33.6Very low140 Ų140146.2 Ų146.273%0.73378%0.777SS**  trans-152.665.2163.3-152.977000111.4R354 H358R354-L356 VanDerWaalsContact C-N 3.29Å; R354-L356 PolarHBondContact O-N 3.45Å; L356-H358 PolarHBondContact O-N 3.44Å; L356-H358 VanDerWaalsContact O-N 3.14Å
357V30.4Very low34.3Very low144 Ų144147.4 Ų147.487%0.87378%0.775SS**  trans-72.9101.7162.5178.80000107.4
358H26.1Very low34.2Very low154 Ų154151.1 Ų151.171%0.71378%0.783SS**PPolyproline II helixtrans-71.8128.3173.7-143.3-76.3000109L356 T360L356-H358 PolarHBondContact O-N 3.44Å; L356-H358 VanDerWaalsContact O-N 3.14Å; H358-T360 PolarHBondContact O-N 3.46Å
359P32.2Very low34.9Very low108 Ų108149.2 Ų149.270%0.70178%0.782SS**PPolyproline II helixtrans-71.7122.4178.127.9-32.8000110.1Q361P359-Q361 PolarHBondContact O-N 2.84Å
360T30.6Very low35.1Very low138 Ų138144.2 Ų144.285%0.84776%0.761SS**PPolyproline II helixtrans-76.2120.4171.830.30000110.5H358 L362H358-T360 PolarHBondContact O-N 3.46Å; T360-L362 PolarHBondContact O-N 3.34Å
361Q31.8Very low35.6Very low165 Ų165149.1 Ų149.177%0.77177%0.767SS**PPolyproline II helixtrans-57.1127175.7-68.3-9444.600111.7P359P359-Q361 PolarHBondContact O-N 2.84Å
362L30.8Very low36.6Very low173 Ų173145 Ų14591%0.90675%0.749SS**  trans-130.270.4161.3-102.5160.7000108.7T360 S364T360-L362 PolarHBondContact O-N 3.34Å; L362-S364 PolarHBondContact O-N 2.87Å
363T30.3Very low37.5Very low113 Ų113141.6 Ų141.669%0.69374%0.744SS**  trans-69.6107.2177.4-59.20000110.4
364S30.4Very low38.1Very low96 Ų96140.8 Ų140.867%0.67174%0.739SS**  trans-127112.7164.9-176.50000109.6L362 R366L362-S364 PolarHBondContact O-N 2.87Å; S364-R366 VanDerWaalsContact C-N 3.33Å; S364-R366 PolarHBondContact O-N 3.43Å
365P39.8Very low39Very low117 Ų117137.4 Ų137.476%0.7673%0.732SS**THydrogen-bonded Turntrans-86.163.1-165.635.1-37.3000112.7
366R42Very low39.7Very low220 Ų220135.4 Ų135.483%0.8372%0.72SS**THydrogen-bonded Turntrans-139.50.6174-78.5-159.8165.287.23.1118S364S364-R366 VanDerWaalsContact C-N 3.33Å; S364-R366 PolarHBondContact O-N 3.43Å
367F40.8Very low40.5Very low187 Ų187135 Ų13582%0.8271%0.713SS**  trans-129.853.7-178.3-74.7-81.6000114.8
368Q44.2Very low41.2Very low185 Ų185133.7 Ų133.786%0.86470%0.701SS**  trans-76-15.3175-88.7176-34.600114.9
369C41.9Very low42.1Very low120 Ų120136.8 Ų136.881%0.81171%0.706SS**SBendtrans-75.2-32.2-175.3-160.90000113.9
370G45.7Very low42.3Very low50 Ų50139 Ų13952%0.51571%0.709SS.*SBendtrans-77.2-20.9-176.600000115.2
371Y49.6Very low42.7Very low170 Ų170141.6 Ų141.667%0.66770%0.704SS**Hα-helixtrans-75.2-29.1-170.7-137-94.6000113L374 H375Y371-L374 PolarHBondContact O-N 2.97Å; Y371-H375 WeakPolarHBondContact O-CB 3.26Å; Y371-H375 PolarHBondContact O-N 3.17Å
372V55.3Low42.8Very low93 Ų93139 Ų13956%0.56470%0.701SS**Hα-helixtrans-68.9-37.8-177.8-176.80000111.8H375 L376V372-H375 PolarHBondContact O-N 2.83Å; V372-L376 HydrophobicContact CG1-CD1 4.37Å; V372-L376 PolarHBondContact O-N 3.34Å; V372-L376 VanDerWaalsContact O-N 3.12Å
373L50Low42.9Very low115 Ų115137.8 Ų137.860%0.60269%0.69SS**Hα-helixtrans-64.4-46.7174.8-113.978000111.6H375 L376 F377L373-H375 VanDerWaalsContact C-N 3.27Å; L373-H375 PolarHBondContact O-N 2.74Å; L373-L376 PolarHBondContact O-N 3.41Å; L373-F377 WeakPolarHBondContact O-CD2 3.31Å; L373-F377 PolarHBondContact O-N 2.9Å
374L53.8Low43.1Very low122 Ų122141 Ų14164%0.63970%0.697SS**Hα-helixtrans-60.1-37.6176.5-96.9157.2000112.1Y371 L376 F377 N378Y371-L374 PolarHBondContact O-N 2.97Å; L374-L376 VanDerWaalsContact C-N 3.35Å; L374-F377 PolarHBondContact O-N 3.4Å; L374-N378 PolarHBondContact O-N 3.02Å; L374-N378 VanDerWaalsContact O-N 3.08Å
375H48.9Very low43Very low129 Ų129142.9 Ų142.960%0.59770%0.7SS**Hα-helixtrans-72.1-26.2178.6-140.4-62.4000113.7Y371 V372 L373Y371-H375 WeakPolarHBondContact O-CB 3.26Å; Y371-H375 PolarHBondContact O-N 3.17Å; V372-H375 PolarHBondContact O-N 2.83Å; L373-H375 VanDerWaalsContact C-N 3.27Å; L373-H375 PolarHBondContact O-N 2.74Å
376L49.1Very low42.8Very low105 Ų105145 Ų14555%0.5570%0.704SS.*Hα-helixtrans-76.3-44.9171.7-79.1162.3000111.6V372 L373 L374 N378 R379 M380V372-L376 HydrophobicContact CG1-CD1 4.37Å; V372-L376 PolarHBondContact O-N 3.34Å; V372-L376 VanDerWaalsContact O-N 3.12Å; L373-L376 PolarHBondContact O-N 3.41Å; L374-L376 VanDerWaalsContact C-N 3.35Å; L376-N378 VanDerWaalsContact C-N 3.28Å; L376-N378 PolarHBondContact O-N 3.49Å; L376-R379 PolarHBondContact O-N 3.43Å; L376-M380 PolarHBondContact O-N 3.03Å
377F46.8Very low42.2Very low130 Ų130139.3 Ų139.357%0.5770%0.698SS**Hα-helixtrans-60.3-36.6175.6-88.8-74.8000112.7L373 L374 R379 M380L373-F377 WeakPolarHBondContact O-CD2 3.31Å; L373-F377 PolarHBondContact O-N 2.9Å; L374-F377 PolarHBondContact O-N 3.4Å; F377-R379 PolarHBondContact O-N 3.31Å; F377-M380 PolarHBondContact O-N 3.13Å
378N45.9Very low41.6Very low118 Ų118139.3 Ų139.363%0.63170%0.701SS**THydrogen-bonded Turntrans-71.4-15.6177.6-142.620.4000113.4L374 L376L374-N378 PolarHBondContact O-N 3.02Å; L374-N378 VanDerWaalsContact O-N 3.08Å; L376-N378 VanDerWaalsContact C-N 3.28Å; L376-N378 PolarHBondContact O-N 3.49Å
379R44.4Very low40.7Very low219 Ų219137.7 Ų137.783%0.82670%0.698SS**THydrogen-bonded Turntrans-92.4-12.8178.5-167171.5-179.6166.40.5113.6L376 F377 R381L376-R379 PolarHBondContact O-N 3.43Å; F377-R379 PolarHBondContact O-N 3.31Å; R379-R381 VanDerWaalsContact C-N 3.32Å
380M36.4Very low40.2Very low153 Ų153139.4 Ų139.475%0.75470%0.699SS**SBendtrans-89.99.5176.5-71.6-72.3-66.900113.4L376 F377 P382L376-M380 PolarHBondContact O-N 3.03Å; F377-M380 PolarHBondContact O-N 3.13Å; M380-P382 WeakPolarHBondContact O-CD 3.16Å
381R39.4Very low39.2Very low194 Ų194142.2 Ų142.273%0.73271%0.711SS**  trans-72.1124.3175.8-163.8-176-155.11092109.3R379 H383R379-R381 VanDerWaalsContact C-N 3.32Å; R381-H383 PolarHBondContact O-N 3.48Å
382P32.8Very low38.4Very low110 Ų110138.7 Ų138.771%0.71471%0.711SS**  trans-59.5136.1173.6-22.433.7000110.7M380 E384M380-P382 WeakPolarHBondContact O-CD 3.16Å; P382-E384 PolarHBondContact O-N 3.23Å
383H34Very low37.4Very low147 Ų147138 Ų13868%0.68172%0.722SS**  trans-84.490169.4-178.8-74.2000107.8R381 D385R381-H383 PolarHBondContact O-N 3.48Å; H383-D385 IonicContact CE1-OD1 3.4Å; H383-D385 PolarHBondContact CE1-OD1 3.27Å; H383-D385 VanDerWaalsContact CE1-OD1 3.3Å; H383-D385 IonicContact ND1-OD1 3.72Å; H383-D385 PolarHBondContact ND1-OD1 3.3Å
384E34.2Very low36.8Very low180 Ų180137 Ų13784%0.84172%0.715SS**  trans-83.4138.6161.9-66.7-165.7113.600108.8P382P382-E384 PolarHBondContact O-N 3.23Å
385D28.7Very low36.1Very low136 Ų136135.1 Ų135.173%0.72771%0.708SS**  trans-73156.2-160-71-58.8000115.4H383 S387H383-D385 IonicContact CE1-OD1 3.4Å; H383-D385 PolarHBondContact CE1-OD1 3.27Å; H383-D385 VanDerWaalsContact CE1-OD1 3.3Å; H383-D385 IonicContact ND1-OD1 3.72Å; H383-D385 PolarHBondContact ND1-OD1 3.3Å; D385-S387 PolarHBondContact O-N 3.35Å
386L35Very low35.5Very low161 Ų161132.3 Ų132.384%0.84370%0.7SS**  trans-70.8111.5173.4-86.373.3000111.6
387S29.9Very low35.3Very low102 Ų102129.6 Ų129.671%0.71369%0.685SS**  trans-164.2152.6137.253.20000112.1D385D385-S387 PolarHBondContact O-N 3.35Å
388E26.6Very low34.9Very low186 Ų186132.6 Ų132.687%0.86969%0.692SS**SBendtrans81.981.4168.7-57-17291.500118.9
389D26Very low34.7Very low152 Ų152131.5 Ų131.581%0.81369%0.69SS**  85.4144.9127.9-144.68.3000121.8S391D389-S391 VanDerWaalsContact C-N 3.31Å; D389-S391 PolarHBondContact O-N 3.33Å
390N30.9Very low34.1Very low155 Ų155126.6 Ų126.683%0.82969%0.685SS**  trans-77.566.9-168.9-81-65.9000113.1S392N390-S392 VanDerWaalsContact C-N 3.28Å; N390-S392 PolarHBondContact O-N 3.39Å
391S26.7Very low34.1Very low109 Ų109124.5 Ų124.576%0.76269%0.685SS**  trans-72.486.1160-170.60000109.9D389 G393D389-S391 VanDerWaalsContact C-N 3.31Å; D389-S391 PolarHBondContact O-N 3.33Å; S391-G393 PolarHBondContact O-N 3.41Å
392S32.5Very low33.6Very low96 Ų96124.8 Ų124.867%0.67171%0.708SS**  trans-49.8133.6157.755.60000108.1N390 E394N390-S392 VanDerWaalsContact C-N 3.28Å; N390-S392 PolarHBondContact O-N 3.39Å; S392-E394 PolarHBondContact O-N 3.28Å
393G34.6Very low33.6Very low78 Ų78125.5 Ų125.580%0.80471%0.707SS**  trans-66.953.8-166.900000116.6S391 V395S391-G393 PolarHBondContact O-N 3.41Å; G393-V395 VanDerWaalsContact C-N 3.33Å; G393-V395 PolarHBondContact O-N 3.34Å
394E36.6Very low33.6Very low95 Ų95124.4 Ų124.444%0.44471%0.709SS.*  trans-66.294.1164.5-174.3163.6-149.400107.8S392 V396S392-E394 PolarHBondContact O-N 3.28Å; E394-V396 HydrophobicContact CG-CG2 3.93Å; E394-V396 PolarHBondContact O-N 3.23Å
395V38Very low33.6Very low82 Ų82121.3 Ų121.350%0.49770%0.701SS.*  trans-66.289.5161.7179.80000105.7G393 M397G393-V395 VanDerWaalsContact C-N 3.33Å; G393-V395 PolarHBondContact O-N 3.34Å; V395-M397 PolarHBondContact O-N 3.41Å
396V36.9Very low33.9Very low71 Ų71120.4 Ų120.443%0.4370%0.7SS.*  trans-61.988.7169.9-174.30000106.5E394 R398E394-V396 HydrophobicContact CG-CG2 3.93Å; E394-V396 PolarHBondContact O-N 3.23Å; V396-R398 HydrophobicContact CG1-CG 3.93Å; V396-R398 PolarHBondContact O-N 3.42Å
397M44.2Very low33.8Very low47 Ų47117.9 Ų117.923%0.23269%0.691CS.*  trans-75.373.5177.4-176.1172.5-98.900107.3S205 A314 W319 V395 V399S205-M397 PolarHBondContact OG-O 3.35Å; S205-M397 VanDerWaalsContact OG-O 3.09Å; A314-M397 HydrophobicContact CB-CE 3.61Å; A314-M397 VanDerWaalsContact O-CE 3.25Å; A314-M397 WeakPolarHBondContact O-CE 3.29Å; W319-M397 HydrophobicContact CZ2-CE 3.65Å; W319-M397 HydrophobicContact CZ2-SD 4.36Å; V395-M397 PolarHBondContact O-N 3.41Å; M397-V399 VanDerWaalsContact C-N 3.27Å; M397-V399 HydrophobicContact CG-CG2 3.99Å; M397-V399 PolarHBondContact O-N 3.08Å
398R39.5Very low34.1Very low193 Ų193118.9 Ų118.973%0.72869%0.689SS**  trans-63.398.1161.4-68-166.7172.788.21.8106.1V396 T400V396-R398 HydrophobicContact CG1-CG 3.93Å; V396-R398 PolarHBondContact O-N 3.42Å; R398-T400 PolarHBondContact O-N 3.41Å
399V41.1Very low34.6Very low96 Ų96114.1 Ų114.158%0.58268%0.677SS**  trans-67.986.4167.8-178.60000106.4S205 M397 S401S205-V399 PolarHBondContact OG-N 3.06Å; M397-V399 VanDerWaalsContact C-N 3.27Å; M397-V399 HydrophobicContact CG-CG2 3.99Å; M397-V399 PolarHBondContact O-N 3.08Å; V399-S401 PolarHBondContact O-N 3.16Å
400T32.9Very low35.3Very low116 Ų116111.2 Ų111.271%0.71267%0.666SS**  trans-68.988.6165.652.50000107R398 V402R398-T400 PolarHBondContact O-N 3.41Å; T400-V402 PolarHBondContact O-N 3.1Å
401S34.9Very low35.6Very low109 Ų109107.6 Ų107.676%0.76265%0.653SS**  trans-58123.7161.651.70000108.1V399V399-S401 PolarHBondContact O-N 3.16Å
402V29.7Very low36.4Very low199 Ų199107.5 Ų107.5100%1.20664%0.643SS**  trans-95.60166-173.40000107.4T400T400-V402 PolarHBondContact O-N 3.1Å

Retrieved 402 of 402 residues in 81 ms (Link to these results)