A0A087Y7A0_POEFO Loading...

INSM transcriptional repressor 2

May act as a transcriptional regulator. May play a role in neurogenesis and neuroendocrine cell differentiation during embryonic development.

AlphaFold DB , UniProt , Accession A0A087Y7A0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 482 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M40.2Very low42.2Very low240 Ų240185.3 Ų185.3100%1.18289%0.889SS**  01370-67.4171.6174.500109
2P53.7Low42Very low132 Ų132189.2 Ų189.286%0.85789%0.888SS**  trans-82.9118.7-17931.5-32.3000112.4
3R44.8Very low41.6Very low256 Ų256179.8 Ų179.897%0.96687%0.873SS**  trans-78.6151.5145.4-70.3173.2167.6157.2-5.2106.9
4G38.6Very low41.1Very low70 Ų70176.1 Ų176.172%0.72288%0.875SS**  cis159.3136.33.400000107L6G4-L6 PolarHBondContact O-N 3.16Å
5F44.7Very low40.6Very low217 Ų217170.9 Ų170.995%0.95287%0.87SS**  trans-65.3131.9-175.2-96.2-121.5000111.8
6L42.8Very low40.3Very low167 Ų167169.1 Ų169.187%0.87487%0.871SS**  trans-147115.8150.5-144.5126.9000114.4G4G4-L6 PolarHBondContact O-N 3.16Å
7V44.9Very low39.7Very low120 Ų120170.1 Ų170.173%0.72786%0.862SS**  trans-14.6117.4168.6-174.10000116.8R9V7-R9 PolarHBondContact O-N 2.87Å
8K41.5Very low39.3Very low195 Ų195168.9 Ų168.985%0.84885%0.845SS**  trans-81.2112163.6-169.9165.3-174.2168.90110.2N10K8-N10 PolarHBondContact O-N 3.26Å; K8-N10 VanDerWaalsContact O-N 3.17Å
9R36.8Very low38.7Very low236 Ų236165.2 Ų165.289%0.89184%0.844SS**  trans-60.1114.7176.3-74.5178171.4151.1-3.5111V7 R11V7-R9 PolarHBondContact O-N 2.87Å; R9-R11 PolarHBondContact O-N 3.01Å
10N37.7Very low38.4Very low150 Ų150165.9 Ų165.980%0.80284%0.835SS**  trans-72.6115.1171-100.4-1.5000110.3K8 R12K8-N10 PolarHBondContact O-N 3.26Å; K8-N10 VanDerWaalsContact O-N 3.17Å; N10-R12 PolarHBondContact O-N 2.9Å
11R38.6Very low38.4Very low255 Ų255163.8 Ų163.896%0.96284%0.836SS**  trans-71.494.5168.2-166.3179.2-166.7-175.35.1108.2R9 G13R9-R11 PolarHBondContact O-N 3.01Å; R11-G13 PolarHBondContact O-N 2.88Å
12R40.3Very low38.1Very low232 Ų232159.5 Ų159.588%0.87582%0.818SS**PPolyproline II helixtrans-59.1134.3179.8-65.3-172.7-178.9-154.21.5110N10N10-R12 PolarHBondContact O-N 2.9Å
13G35.8Very low37.1Very low67 Ų67156.4 Ų156.469%0.69181%0.81SS**PPolyproline II helixtrans-73.1146.9160.400000109.8R11 A15R11-G13 PolarHBondContact O-N 2.88Å; G13-A15 PolarHBondContact O-N 2.79Å
14S34.5Very low36.7Very low129 Ų129151 Ų15190%0.90281%0.806SS**PPolyproline II helixtrans-65.2119.4-177.3-50.50000111.4
15A33.8Very low36.3Very low97 Ų97151 Ų15180%0.80281%0.806SS**  trans-113.7119.8170.300000108.6G13G13-A15 PolarHBondContact O-N 2.79Å
16T36.8Very low36Very low143 Ų143147.4 Ų147.488%0.87780%0.802SS**  trans-95.7115.1-176.734.80000111.6
17Y29.9Very low36.5Very low186 Ų186145 Ų14573%0.72980%0.797SS**  trans-163.8135.5178.1-155.9-110.3000105.9
18R31.4Very low35.8Very low148 Ų148148.7 Ų148.756%0.55881%0.806SS**  cis-152.1161.61.7-153.7-171.7-160162.95.2106.9
19A29.1Very low35.4Very low99 Ų99143.3 Ų143.382%0.81880%0.798SS**  trans-129.5121.8149.200000107.7
20R31.8Very low36.1Very low178 Ų178137.3 Ų137.367%0.67279%0.79SS**  trans-114.4134.4160.1-96.5-171.7169.7-173-5.8105.5
21S39Very low35.9Very low122 Ų122135.7 Ų135.785%0.85379%0.79SS**  trans-102.9120.8163.5-52.10000106.6
22D34.3Very low35.5Very low151 Ų151128.7 Ų128.781%0.80778%0.779SS**  trans-90.9138.4166.4-75-64000108.7
23G32.3Very low35Very low67 Ų67124 Ų12469%0.69177%0.771SS**  trans175.6105.6-177.400000112
24T36Very low35Very low142 Ų142131.5 Ų131.587%0.87178%0.779SS**  trans20.9118.9151.756.20000117.5
25G30.9Very low34.8Very low71 Ų71130.5 Ų130.573%0.73277%0.771SS**  78.3125.780.800000110.3
26T38.4Very low35Very low141 Ų141137 Ų13787%0.86578%0.775SS**  cis-152.5177.524.52.30000109.5
27P52.4Low34.7Very low117 Ų117134 Ų13476%0.7677%0.765SS**  trans-83.4166.8-170.836.1-37.9000113.9
28E30.8Very low35Very low196 Ų196134.6 Ų134.692%0.91677%0.774SS**  trans-162.4155.9139.7-88.7-113.7109.600110.9
29A32.9Very low35Very low82 Ų82131.3 Ų131.368%0.67879%0.786SS**  trans-156.5175.7172.600000106.2
30P51.6Low35.2Very low111 Ų111135.4 Ų135.472%0.72179%0.789SS**  cis-141.7-167.5944.2-25.6000115.3
31S34.5Very low35.2Very low116 Ų116132.3 Ų132.381%0.81179%0.794SS**  trans72.2167.2157.584.30000117
32C30.1Very low34.9Very low108 Ų108137.5 Ų137.573%0.7380%0.797SS**  cis-145.5-175.6365.70000112.7
33D29.8Very low34.8Very low133 Ų133134 Ų13471%0.71180%0.796SS**  trans-11.9155.6156.7-78-104.1000119.9
34R35Very low34.9Very low225 Ų225136.7 Ų136.785%0.84981%0.805SS**  cis-160.2162.933.4-147.5160.1-173.4171.71.2114.4
35S31Very low35.6Very low107 Ų107136.1 Ų136.175%0.74880%0.803SS**  trans-74.9159.6167.523.10000113.6
36R36.2Very low35.7Very low234 Ų234143.8 Ų143.888%0.88381%0.81SS**  171.6110.3116.7-173.6165.4-171.7152.20.8116
37A32.3Very low35.8Very low79 Ų79148.5 Ų148.565%0.65381%0.812SS**  trans34.4143.2135.100000125.1
38Q35.3Very low34.9Very low199 Ų199149 Ų14993%0.9382%0.818SS**  trans79.5144.7146.2-74.5164.7-11.500120.6
39G30.3Very low35.2Very low79 Ų79143.2 Ų143.281%0.81481%0.811SS**  trans153.7113.4178.300000111.3
40E34.2Very low35.5Very low186 Ų186149.2 Ų149.287%0.86983%0.825SS**  trans-106.4177.7-173-6617594.900113.6
41S32.3Very low34.6Very low113 Ų113147.7 Ų147.779%0.7983%0.83SS**  trans113.1172.6144.581.90000118.5
42Y32.8Very low34.6Very low231 Ų231145.7 Ų145.791%0.90683%0.827SS**  trans-119.1159.3-150.2-53.4-101.6000111.7
43G30.7Very low34.8Very low77 Ų77147.7 Ų147.779%0.79484%0.835SS**  trans169.897.2163.900000116.8
44S35.4Very low35.1Very low124 Ų124149.5 Ų149.587%0.86784%0.84SS**  trans-86.6152.5153.2-57.40000109.5
45P50.6Low36.1Very low129 Ų129143.2 Ų143.284%0.83883%0.828SS**  trans-131.8169.8138.335.4-24.6000113.7
46R33.5Very low36.4Very low233 Ų233142.6 Ų142.688%0.87982%0.823SS**  trans-109.4143.5-176.5-77.4177159.5-139.9-0.8111.8
47R39Very low36.3Very low240 Ų240143.4 Ų143.491%0.90683%0.827SS**  33.4113.8128.5-164.9-170.4-146.6-105.45.5117.9
48S34.6Very low36.2Very low128 Ų128143.5 Ų143.590%0.89584%0.836SS**  trans-132.8166.1151.159.40000109.7
49G37.2Very low36.2Very low74 Ų74138.2 Ų138.276%0.76383%0.826SS**  trans-175.5155.3178.100000112
50Q38.3Very low36.5Very low208 Ų208146.5 Ų146.597%0.97283%0.832SS**  trans-146.2171.5176.2-75.9-179.77.600109.1
51G33.9Very low36.4Very low79 Ų79141.3 Ų141.381%0.81483%0.829SS**  trans-167.6-170-177.200000114.3
52G33.3Very low36.5Very low73 Ų73140.1 Ų140.175%0.75383%0.834SS**  trans104.1149.8-165.900000111.2
53V35.7Very low36.5Very low150 Ų150133 Ų13391%0.90983%0.831SS**  cis-149.4161.22.4-77.50000111.7
54E34.5Very low36.6Very low172 Ų172133.5 Ų133.580%0.80484%0.837SS**  trans-81.3-175.6168.8-94.7-82.492.300111.7
55P57.1Low36.5Very low93 Ų93130.4 Ų130.460%0.60482%0.824SS**  cis-134.4178.6-16.530.1-9.5000115
56S36Very low35.7Very low93 Ų93133.6 Ų133.665%0.6583%0.825SS**  147.3125.9121.7-68.30000119.5
57R34.8Very low36.1Very low251 Ų251131.3 Ų131.395%0.94782%0.822SS**  trans50.9132.4135.5-57.3176.8177-171.9-1.3122.3
58G31Very low36.9Very low82 Ų82125.6 Ų125.685%0.84582%0.816SS**  trans175.860.8163.200000121.9
59A35.5Very low37Very low87 Ų87126.7 Ų126.772%0.71982%0.816SS**  trans17136.315300000125.4
60R36.3Very low36.9Very low253 Ų253126 Ų12696%0.95581%0.809SS**  trans63.9151.3143.5-63.6174179.3-152-0.5119.5
61G31.8Very low36.8Very low77 Ų77122.5 Ų122.579%0.79480%0.803SS**  cis163.9159.3-8.200000113.8
62G34.6Very low37.1Very low88 Ų88130.4 Ų130.491%0.90781%0.808SS**  trans87.915817500000115.8
63G32.1Very low37.3Very low81 Ų81133.9 Ų133.984%0.83581%0.808SS**  cis159.7111.4-10.700000114.7
64G32.7Very low37.5Very low89 Ų89134.3 Ų134.392%0.91881%0.805SS**  trans86.1159.9173.200000115.8
65G34.6Very low37.8Very low58 Ų58133.3 Ų133.360%0.59880%0.8SS**  cis146.1126.6-12.400000114.7
66F33.8Very low36.9Very low197 Ų197137.6 Ų137.686%0.86481%0.812SS**  trans66.7162.5169.3-42.8-77.9000116.7
67K40.6Very low37Very low184 Ų184140.3 Ų140.380%0.881%0.814SS**  cis-158.7163.5-40.7-109.7-176.1179.2-179.20107.6
68P55.8Low37.3Very low121 Ų121135.5 Ų135.579%0.78681%0.812SS**  trans-89.7158.8-174.136.1-36000115
69V36.6Very low37.4Very low150 Ų150138.9 Ų138.991%0.90981%0.806SS**  trans-139.9151.7170.2178.20000108.3
70G35.4Very low37.3Very low59 Ų59139.3 Ų139.361%0.60880%0.804SS**  trans-133.5-162.4-172.400000116.6
71T37.5Very low37Very low136 Ų136134 Ų13483%0.83479%0.79SS**  trans71.5125169.8710000119.1
72R39.6Very low37.1Very low244 Ų244136.7 Ų136.792%0.92178%0.782SS**  -175.7169.2105.6-101.6-179.2171.5-172.8-4.1114.1
73L37.9Very low37.1Very low147 Ų147140.4 Ų140.477%0.7778%0.775SS**  trans-75.9159.8179.4-83.961.5000113.1
74L38.5Very low38Very low159 Ų159141.6 Ų141.683%0.83277%0.768SS**  -153.5149.5119.4-146.275.3000111.8
75E41.3Very low37.6Very low150 Ų150142.7 Ų142.770%0.70176%0.761SS**  trans-101.3161.7165.6-67.316865.200110.1
76Q38.3Very low37.5Very low183 Ų183145.1 Ų145.186%0.85577%0.769SS**  trans-156.5128.1152.5-119.3166.94.900112.1
77H39.1Very low38.3Very low151 Ų151141.7 Ų141.770%0.69977%0.766SS**  trans-86.7152.6168.2-84.769.7000110.6
78V40.8Very low38.1Very low149 Ų149139 Ų13990%0.90377%0.765SS**  trans-139.3141.7147.1-176.30000107.5
79E33.6Very low37.9Very low153 Ų153138.6 Ų138.672%0.71576%0.762SS**  trans-127.8-167.4-171.2-158.7167.1102.700110
80S32.3Very low37.7Very low97 Ų97140.4 Ų140.468%0.67876%0.761SS**  trans76.1138.6159.2-60.10000118.9
81E30Very low37.8Very low142 Ų142143.9 Ų143.966%0.66477%0.765SS**  cis-157.7141.5-10.4-88.1-70.658.300111.7
82Q34.3Very low38.5Very low133 Ų133143.6 Ų143.662%0.62177%0.765SS**  trans39.5120.7131.1-59.7-179.534.600122.5
83Q34.8Very low38.3Very low165 Ų165137.5 Ų137.577%0.77175%0.751SS**  98.8168.477.1-86.5-179.9-78.300115.3
84P50.5Low38.3Very low106 Ų106137.6 Ų137.669%0.68875%0.751SS**  cis-142.7179-30.439-19.5000118.1
85C25.2Very low38.8Very low112 Ų112135.3 Ų135.376%0.75775%0.746SS**  trans75.3107.7145.2-760000127.2
86S31.8Very low38.4Very low110 Ų110136.2 Ų136.277%0.76975%0.748SS**  52.8169.1124.164.40000123.7
87P50.1Low38.2Very low125 Ų125135 Ų13581%0.81275%0.747SS**  cis-131.4-151.31.544.1-25000116
88V37Very low37.9Very low128 Ų128132.5 Ų132.578%0.77674%0.742SS**  trans-100.7167.5-167.9-142.30000114.6
89P51.6Low37.6Very low112 Ų112131 Ų13173%0.72774%0.738SS**  -143.8139.7105.537.5-22.2000114.1
90E32Very low37.5Very low187 Ų187127.8 Ų127.887%0.87474%0.738SS**  94.5142.580.7-67-151.8110.600118.3
91L37.1Very low37.6Very low133 Ų133127.9 Ų127.970%0.69674%0.744SS**  trans-61.7170-174.3-93166.1000116.6
92P53.3Low39.1Very low129 Ų129126.8 Ų126.884%0.83875%0.749SS**  -149-168.570.341-18.3000118.5
93D35.5Very low39.3Very low116 Ų116127 Ų12762%0.6276%0.76SS**  trans-121152.4-146.1-93.7-66000117.4
94L36.9Very low39.3Very low149 Ų149124.1 Ų124.178%0.7876%0.758SS**  trans64.1178.8142-67.4173.5000118.4
95P50.1Low38.5Very low112 Ų112125 Ų12573%0.72776%0.761SS**  cis-136.91684.145.1-28.2000119.3
96F31.2Very low38.9Very low168 Ų168124.8 Ų124.874%0.73776%0.761SS**  trans35.5138.2144.7-103.5-113.4000125.1V98F96-V98 HydrophobicContact CD1-CG2 3.56Å; F96-V98 HydrophobicContact CE1-CG2 3.55Å
97L35.4Very low39.1Very low159 Ų159123.7 Ų123.783%0.83276%0.759SS**  171.1120.4117.2-86.2170.6000107.7
98V33.5Very low38.4Very low97 Ų97123.3 Ų123.359%0.58876%0.759SS**  85.411259.21670000115.1F96F96-V98 HydrophobicContact CD1-CG2 3.56Å; F96-V98 HydrophobicContact CE1-CG2 3.55Å
99S32.5Very low38.4Very low118 Ų118124.2 Ų124.283%0.82576%0.758SS**  trans59.7173.4154.4-70.20000120.8
100A33.2Very low37.8Very low86 Ų86125.1 Ų125.171%0.71175%0.752SS**  cis-169.6121.7-49.300000112
101A32.8Very low38.2Very low98 Ų98125.6 Ų125.681%0.8175%0.746SS**  trans62.8-162.7150.200000117.2
102P62.5Low38.2Very low119 Ų119126.3 Ų126.377%0.77375%0.75SS**  -142.1153.4-112.540.5-19.2000119.8
103T37.8Very low37.6Very low139 Ų139127.4 Ų127.485%0.85375%0.748SS**  trans-148.5146.1155.342.50000109.2
104S34.9Very low37.6Very low103 Ų103126 Ų12672%0.7275%0.753SS**  cis95.8147.624.3-160.50000114.6
105V35.2Very low37.7Very low126 Ų126124.9 Ų124.976%0.76476%0.757SS**  trans59.9136.1-174.5-560000116.3
106S33.7Very low36.8Very low107 Ų107123.1 Ų123.175%0.74876%0.759SS**  cis77.1135.927.985.10000114.7
107A35.7Very low36.8Very low87 Ų87119.3 Ų119.372%0.71977%0.767SS**  cis-168.8-165.8-9.900000108.7
108S34.6Very low36.4Very low117 Ų117115.7 Ų115.782%0.81877%0.768SS**  trans72.7165.3172.6-43.60000114.1
109I37.9Very low36.2Very low147 Ų147114.6 Ų114.675%0.75478%0.777SS**  cis-132.3130.111.3-72.2178.3000105.9
110E38.6Very low35.9Very low130 Ų130114.5 Ų114.561%0.60778%0.776SS**  47.9151.896.4-62.4-160.3155.100115.9
111R40.1Very low35.8Very low197 Ų197115.7 Ų115.774%0.74378%0.779SS**  cis-163-174.4-2-121.8171.2-167.5152.40.6108.9
112L37.3Very low35.8Very low148 Ų148115.8 Ų115.878%0.77577%0.774SS**  trans130.291.9147-65-178.6000112.3
113L40.3Very low34.4Very low153 Ų153116.8 Ų116.880%0.80177%0.773SS**  80.3115.3103.6-68.2-173.5000112.4
114A36.2Very low34.3Very low87 Ų87116.5 Ų116.572%0.71977%0.766SS**  73.9140.26300000111.9
115S39Very low34.2Very low125 Ų125118.3 Ų118.387%0.87477%0.767SS**  cis-145.4176.615-64.60000109.6
116G30.8Very low34.2Very low74 Ų74122.4 Ų122.476%0.76377%0.769SS**  cis150.2143-5.100000112
117G30.2Very low34.3Very low89 Ų89123.5 Ų123.592%0.91877%0.766SS**  trans77.1158.3177.600000115.9
118G28.7Very low34.3Very low83 Ų83126 Ų12686%0.85676%0.763SS**  cis152.8134.4-12.300000113.9
119G27.9Very low34Very low74 Ų74124.1 Ų124.176%0.76375%0.754SS**  trans109.4111.5158.300000119.8
120S27.6Very low33.9Very low116 Ų116124.4 Ų124.481%0.81175%0.752SS**  57.7114.9126.5-51.60000124.3
121S29.6Very low33.6Very low110 Ų110121.7 Ų121.777%0.76975%0.747SS**  62.3121.2123.8-55.40000124.3
122S32.5Very low33.3Very low101 Ų101123.2 Ų123.271%0.70676%0.755SS**  trans62.9110.3132.6-53.60000122.2
123N34.3Very low33.1Very low140 Ų140119.2 Ų119.275%0.74975%0.749SS**  177.7156.198.4-96.4-38.7000115.1
124N34.9Very low32.7Very low133 Ų133120.7 Ų120.771%0.71175%0.751SS**  trans10.6149.1144.8-41.4-43.3000119.2
125N32.7Very low32.4Very low140 Ų140122.8 Ų122.875%0.74975%0.751SS**  cis179.917335.8-150.3-23.9000112.4
126R34.8Very low32.1Very low212 Ų212122.2 Ų122.280%0.874%0.738SS**  trans65.7152.6158.1-67.3-169.9160.9168.1-5.1118.2
127L36.8Very low32.2Very low130 Ų130124.6 Ų124.668%0.68173%0.733SS**  cis-157.7173.8-14.5-100.5171.1000105.9
128H35.1Very low32.4Very low141 Ų141126 Ų12665%0.65372%0.724SS**  cis-143.7-160.25.8-136.6153.9000106.1Q130H128-Q130 PolarHBondContact CE1-NE2 2.9Å; H128-Q130 VanDerWaalsContact CE1-NE2 3.33Å; H128-Q130 PolarHBondContact NE2-NE2 3.1Å
129A28.9Very low32.7Very low76 Ų76130.4 Ų130.463%0.62872%0.719SS**  cis-146.3156.4-1.300000108
130Q36.4Very low33.1Very low153 Ų153135 Ų13572%0.71572%0.721SS**  56.3129.282.6-51.4-17124.100115.2H128H128-Q130 PolarHBondContact CE1-NE2 2.9Å; H128-Q130 VanDerWaalsContact CE1-NE2 3.33Å; H128-Q130 PolarHBondContact NE2-NE2 3.1Å
131S31.2Very low33.4Very low73 Ų73134.3 Ų134.351%0.5171%0.712SS.*  cis-171.5174.31.938.20000114.2
132Y33.4Very low33.9Very low230 Ų230138.8 Ų138.890%0.90272%0.718SS**  trans86.5139.5164.4-45.9-65.1000118.2
133G33.5Very low34.2Very low63 Ų63143.4 Ų143.465%0.64973%0.725SS**  cis168.4143.4-11.300000114.6
134H32.3Very low34.2Very low184 Ų184142.5 Ų142.585%0.85273%0.73SS**  trans58.4137.8174.5-61.7-84.8000118.4
135N30.1Very low34.5Very low132 Ų132145.1 Ų145.171%0.70674%0.735SS**  cis97.5149.610.4-153.854.4000117.7
136D32.8Very low35.2Very low113 Ų113144 Ų14460%0.60474%0.735SS**  trans75.4149.6172.1-57.9-65.8000116.7
137N31.8Very low34.8Very low123 Ų123141.6 Ų141.666%0.65874%0.738SS**  cis-159.3172.2-1-142-42.8000114
138T35.4Very low34.7Very low119 Ų119146 Ų14673%0.7375%0.745SS**  trans62.3171.7152.954.10000121.1
139K34.3Very low34.7Very low175 Ų175150.6 Ų150.676%0.76176%0.757SS**  -175.9152.9-60.3-120.4176.6-177171.50109.5
140Q35.7Very low35Very low171 Ų171155.3 Ų155.380%0.79977%0.766SS**  trans67.1158.8162.8-65.5-176.39.600117.1
141T34.1Very low35Very low102 Ų102154.1 Ų154.163%0.62677%0.765SS**  cis-156.3175.3-12.125.50000111.7
142K40.2Very low35.2Very low204 Ų204159.1 Ų159.189%0.88778%0.778SS**  trans80.3164.5159.3-72153.8-174.6175.30117.2
143K40Very low35.8Very low198 Ų198156.3 Ų156.386%0.86177%0.773SS**  trans-157129.5-146.4-174.2174.2-173.2172.10111.6
144S32.9Very low36.1Very low120 Ų120160.4 Ų160.484%0.83978%0.78SS**  trans-147.9158.816755.90000110.3
145K42Very low36.5Very low188 Ų188159.8 Ų159.882%0.81778%0.777SS**  trans-141.5165.4178.6-73.6-173.4173-173.50107.9
146P47.8Very low37.3Very low116 Ų116159.1 Ų159.175%0.75378%0.778SS**  cis-131.4164-5037.5-24000110.5
147N26.6Very low37.6Very low162 Ų162160.3 Ų160.387%0.86679%0.789SS**  trans-154.8152.4156.5-140.5-39.8000114.2
148R34.7Very low38.6Very low222 Ų222160 Ų16084%0.83879%0.792SS**  trans59.580.3154.8-153.5168.4-171.3149.70.3118.7
149R35.5Very low38.6Very low238 Ų238159.1 Ų159.190%0.89879%0.791SS**  trans30.3115.5134-64.4177.8172.9-120.40.8118
150Q35.4Very low39.5Very low175 Ų175156.8 Ų156.882%0.81879%0.794SS**  -155.7161.9126.6-122.9-173.4-90.100112.5
151N35.6Very low39.9Very low128 Ų128153.8 Ų153.868%0.68479%0.787SS**  trans47.697.9167.4-59.412.5000117
152F36.1Very low40.8Very low179 Ų179155.9 Ų155.979%0.78579%0.793SS**  trans-73.7147.1136.1-171.4-103.2000107.6
153E44.8Very low41.1Very low170 Ų170150.1 Ų150.179%0.79479%0.792SS**  trans-92.8128.4177.6-64.6167113.400108.5
154D39.6Very low41.3Very low150 Ų150147.7 Ų147.780%0.80279%0.787SS**  trans-118.6138.2165-91.4-52.3000108.8
155E41.2Very low41.8Very low171 Ų171153.3 Ų153.380%0.79979%0.79SS**  trans-84.4153.5-150.7-69.6-164.3103.600116.4T157E155-T157 VanDerWaalsContact C-N 3.32Å; E155-T157 PolarHBondContact O-N 3.27Å
156V48Very low41.9Very low117 Ų117151.9 Ų151.971%0.70979%0.79SS**  trans-7.275.4137.4-166.20000115.7T158V156-T158 HydrophobicContact CG1-CG2 3.67Å; V156-T158 PolarHBondContact O-N 3.04Å
157T37.7Very low42.1Very low138 Ų138154.5 Ų154.585%0.84779%0.789SS**  trans-9080158.8-56.40000108.7E155 S159E155-T157 VanDerWaalsContact C-N 3.32Å; E155-T157 PolarHBondContact O-N 3.27Å; T157-S159 PolarHBondContact O-N 3.46Å; T157-S159 VanDerWaalsContact O-N 3.14Å
158T53.3Low43Very low117 Ų117156.4 Ų156.472%0.71879%0.79SS**  trans-65.9107.3178.735.10000112V156V156-T158 HydrophobicContact CG1-CG2 3.67Å; V156-T158 PolarHBondContact O-N 3.04Å
159S34.6Very low43.1Very low100 Ų100153.5 Ų153.570%0.69979%0.786SS**  trans-91.3114.6165.2-175.80000110.5T157 V161T157-S159 PolarHBondContact O-N 3.46Å; T157-S159 VanDerWaalsContact O-N 3.14Å; S159-V161 VanDerWaalsContact C-N 3.27Å; S159-V161 PolarHBondContact O-N 3.25Å; S159-V161 VanDerWaalsContact O-N 3.1Å
160P53.8Low43.1Very low127 Ų127147 Ų14783%0.82578%0.777SS**  trans-87.537.4-169.236.1-37.6000114
161V45.1Very low44Very low108 Ų108144.3 Ų144.366%0.65578%0.775SS**SBendtrans-135114.1177.4178.90000110.4S159S159-V161 VanDerWaalsContact C-N 3.27Å; S159-V161 PolarHBondContact O-N 3.25Å; S159-V161 VanDerWaalsContact O-N 3.1Å
162L51.6Low44.3Very low146 Ų146145.8 Ų145.876%0.76478%0.777SS**  trans56.485.8174.6-55.8175000114.4L164L162-L164 PolarHBondContact O-N 3.16Å
163G47.8Very low44.7Very low83 Ų83143.7 Ų143.786%0.85677%0.774SS**  trans-68.650-177.400000117R165G163-R165 PolarHBondContact O-N 3.27Å
164L42.7Very low44.3Very low147 Ų147147.9 Ų147.977%0.7778%0.782SS**  trans-8481.7177.3-79.1158.6000111L162 I166L162-L164 PolarHBondContact O-N 3.16Å; L164-I166 PolarHBondContact O-N 3.04Å
165R45.2Very low44.4Very low238 Ų238152.4 Ų152.490%0.89879%0.788SS**  trans-69.387172.849.9160.7-170.8-109.3-0.3112G163 K167G163-R165 PolarHBondContact O-N 3.27Å; R165-K167 PolarHBondContact O-N 2.83Å; R165-K167 VanDerWaalsContact O-N 3.08Å
166I43.6Very low44.1Very low158 Ų158150.1 Ų150.181%0.8179%0.791SS**  trans-68.7105.5174.5-57.2177.9000109.2L164L164-I166 PolarHBondContact O-N 3.04Å
167K52.4Low43.6Very low170 Ų170149.2 Ų149.274%0.73980%0.796SS**  trans-75.6129.2167.6-150.678.2172-175.80107.7R165R165-K167 PolarHBondContact O-N 2.83Å; R165-K167 VanDerWaalsContact O-N 3.08Å
168K43.7Very low44.3Very low202 Ų202148.1 Ų148.188%0.87879%0.791SS**  trans-90.9101.8172.6-179.3-178.4176.8-1790108.3
169E38.3Very low43.6Very low161 Ų161149.8 Ų149.875%0.75280%0.801SS**  trans-112.2135.3172.550.1-145114.900111.2
170S35.4Very low43.8Very low103 Ų103148.3 Ų148.372%0.7280%0.802SS**  trans-84.4148.1-173.6-57.50000111
171P53.7Low43.3Very low118 Ų118149.1 Ų149.177%0.76681%0.805SS**  trans-68.8140.6167.831.4-34.3000110.3
172E41.1Very low43.5Very low158 Ų158152.5 Ų152.574%0.73881%0.813SS**  trans-173.4110.1134-101.4-60.790.500110.4
173L44.9Very low43.3Very low136 Ų136150.5 Ų150.571%0.71281%0.81SS**  trans23.7118152.5-54.8174.7000120.1
174R37.1Very low43.5Very low258 Ų258154.4 Ų154.497%0.97481%0.81SS**  -149.4159.3114.6-76.4-140.7175-103.1-16.1111.6
175R41.3Very low44.2Very low244 Ų244149.8 Ų149.892%0.92180%0.798SS**  trans-104.7124.1-173.5-84.8175.3-95.9-165.9-9.6112
176S34.4Very low45.3Very low124 Ų124144.9 Ų144.987%0.86779%0.785SS**  trans-163.7139.3150.345.90000110.8
177A37.5Very low47Very low97 Ų97140.3 Ų140.380%0.80276%0.759SS**  trans-163160172.500000108.1
178P53.6Low48.3Very low116 Ų116134.9 Ų134.975%0.75374%0.738SS**  cis-119.7160.9-2.339.9-28.4000113.6
179T37.9Very low50.1Low151 Ų151126 Ų12693%0.92670%0.701SS**  trans160.7152142.933.90000108.7
180G38.7Very low51.9Low70 Ų70126.9 Ų126.972%0.72271%0.705SS**  trans98.780.6-172.400000112.4Q182G180-Q182 VanDerWaalsContact C-N 3.34Å; G180-Q182 PolarHBondContact O-N 2.91Å
181T42.8Very low53.6Low143 Ų143126.4 Ų126.488%0.87769%0.694SS**  trans-69.588.3168.145.80000109.7P183T181-P183 VanDerWaalsContact O-CD 3.3Å; T181-P183 WeakPolarHBondContact O-CD 3.19Å
182Q49.3Very low54.7Low179 Ų179122 Ų12284%0.83667%0.665SS**  trans-73.1115.6164-69.4-173.3-9.200108.4G180 L184G180-Q182 VanDerWaalsContact C-N 3.34Å; G180-Q182 PolarHBondContact O-N 2.91Å; Q182-L184 PolarHBondContact O-N 3.35Å
183P47.4Very low56.5Low105 Ų105122.2 Ų122.268%0.68266%0.664SS**  trans-69128.6174.628.4-32.8000109.5T181 G185T181-P183 VanDerWaalsContact O-CD 3.3Å; T181-P183 WeakPolarHBondContact O-CD 3.19Å; P183-G185 PolarHBondContact O-N 3.27Å
184L53.7Low58.2Low165 Ų165120 Ų12086%0.86465%0.65SS**SBendtrans-72.776.4171.6-81.6121.5000110.5Q182Q182-L184 PolarHBondContact O-N 3.35Å
185G56.9Low60.4Low50 Ų50114.5 Ų114.552%0.51564%0.635SS.*SBendtrans64.4104.1172.800000113.8P183 F187P183-G185 PolarHBondContact O-N 3.27Å; G185-F187 PolarHBondContact O-N 3.19Å
186E68.3Low62.4Low134 Ų134105.6 Ų105.663%0.62660%0.602SS**  trans-36.6123.1172.8-65.3139.7-160.400111.6I188E186-I188 HydrophobicContact CB-CD1 3.95Å; E186-I188 HydrophobicContact CB-CG1 3.63Å; E186-I188 PolarHBondContact O-N 3.27Å
187F77.9Confident64.7Low63 Ų63104.7 Ų104.728%0.27659%0.593SS.*  trans-80.261-174.7-57.9-72.2000111G185 Y196 P199 L202G185-F187 PolarHBondContact O-N 3.19Å; F187-Y196 WeakPolarHBondContact CB-O 3.27Å; F187-Y196 WeakPolarHBondContact O-CB 3.1Å; F187-Y196 PolarHBondContact O-N 3.11Å; F187-P199 HydrophobicContact CD1-CB 3.82Å; F187-P199 HydrophobicContact CE1-CB 3.73Å; F187-P199 HydrophobicContact CE1-CG 4.12Å; F187-P199 HydrophobicContact CG-CB 4.42Å; F187-P199 HydrophobicContact CZ-CB 4.25Å; F187-P199 HydrophobicContact CZ-CG 4.14Å; F187-L202 HydrophobicContact CB-CB 4.11Å; F187-L202 HydrophobicContact CB-CD2 3.96Å
188I80.6Confident67Low56 Ų56104 Ų10429%0.28758%0.576SS.*  trans-77.1126.3-175.1-44.2-165.1000110.3E186 Q190 K193 E194 E195E186-I188 HydrophobicContact CB-CD1 3.95Å; E186-I188 HydrophobicContact CB-CG1 3.63Å; E186-I188 PolarHBondContact O-N 3.27Å; I188-Q190 PolarHBondContact O-N 2.79Å; I188-Q190 VanDerWaalsContact O-N 3.16Å; I188-K193 HydrophobicContact CG2-CB 4.42Å; I188-E194 WeakPolarHBondContact CA-O 3.49Å; I188-E195 HydrophobicContact CD1-CG 3.92Å; I188-E195 HydrophobicContact CG1-CG 3.94Å
189C81.9Confident68.4Low14 Ų14102 Ų10210%0.09556%0.563CS.*  trans-70.3112.1167.7-178.50000109.6L191 C192 K193 E194 Y196 L202C189-L191 PolarHBondContact O-N 3.19Å; C189-C192 WeakPolarHBondContact CB-SG 3.5Å; C189-C192 PolarHBondContact O-N 3.22Å; C189-K193 WeakPolarHBondContact O-CA 3.32Å; C189-K193 PolarHBondContact O-N 2.86Å; C189-E194 PolarHBondContact N-O 3.02Å; C189-Y196 HydrophobicContact CB-CE2 4.35Å; C189-L202 HydrophobicContact CB-CD1 3.58Å
190Q75.3Confident70.5Confident181 Ų181102 Ų10285%0.84655%0.551SS**THydrogen-bonded Turntrans-58.2-11.4-176-62.5-179.80.700114.9I188I188-Q190 PolarHBondContact O-N 2.79Å; I188-Q190 VanDerWaalsContact O-N 3.16Å
191L72.1Confident72.5Confident93 Ų93100.7 Ų100.749%0.48753%0.53SS..THydrogen-bonded Turntrans-100.5-46.9-175.2-60.1177.1000113.3C189 R209 I210C189-L191 PolarHBondContact O-N 3.19Å; L191-R209 WeakPolarHBondContact O-CD 3.37Å; L191-I210 HydrophobicContact CD1-CD1 3.77Å; L191-I210 HydrophobicContact CD1-CG1 3.44Å; L191-I210 VanDerWaalsContact CD1-CG1 3.44Å
192C76.1Confident74.6Confident24 Ų2496.3 Ų96.316%0.16250%0.501CS..THydrogen-bonded Turntrans-89.8-20171.852.70000113.5C189 E194 H205C189-C192 WeakPolarHBondContact CB-SG 3.5Å; C189-C192 PolarHBondContact O-N 3.22Å; C192-E194 VanDerWaalsContact C-N 3.25Å; C192-E194 HydrophobicContact CB-CG 4.01Å; C192-E194 PolarHBondContact SG-OE2 3.46Å; C192-H205 PolarHBondContact SG-NE2 3.03Å; C192-H205 VanDerWaalsContact SG-NE2 3.38Å
193K78.8Confident76.1Confident164 Ų16491.8 Ų91.871%0.71349%0.494SS*.  trans63.523.6-168.2-56.5-171175.9-170.20114.6I188 C189I188-K193 HydrophobicContact CG2-CB 4.42Å; C189-K193 WeakPolarHBondContact O-CA 3.32Å; C189-K193 PolarHBondContact O-N 2.86Å
194E80.1Confident77.5Confident90 Ų9093.2 Ų93.242%0.42149%0.492SS..  trans-78.4131.3170.8-64.9168.5141.700109.7I188 C189 C192 Y196 H205I188-E194 WeakPolarHBondContact CA-O 3.49Å; C189-E194 PolarHBondContact N-O 3.02Å; C192-E194 VanDerWaalsContact C-N 3.25Å; C192-E194 HydrophobicContact CB-CG 4.01Å; C192-E194 PolarHBondContact SG-OE2 3.46Å; E194-Y196 HydrophobicContact CB-CE2 3.88Å; E194-Y196 PolarHBondContact OE2-OH 3.08Å; E194-H205 IonicContact OE2-CE1 3.13Å; E194-H205 PolarHBondContact OE2-CE1 2.9Å; E194-H205 IonicContact OE2-ND1 3.96Å; E194-H205 IonicContact OE2-NE2 2.68Å
195E84.4Confident78.9Confident142 Ų14287.4 Ų87.466%0.66446%0.46SS*.  trans-82.6135.6177.3-64.7167.6-153.200110.2I188I188-E195 HydrophobicContact CD1-CG 3.92Å; I188-E195 HydrophobicContact CG1-CG 3.94Å
196Y83.8Confident79.5Confident57 Ų5794.2 Ų94.222%0.22448%0.476CS..  trans-117.5145.9174.8-70.5-77.7000111.6F187 C189 E194 D198 L202 H205F187-Y196 WeakPolarHBondContact CB-O 3.27Å; F187-Y196 WeakPolarHBondContact O-CB 3.1Å; F187-Y196 PolarHBondContact O-N 3.11Å; C189-Y196 HydrophobicContact CB-CE2 4.35Å; E194-Y196 HydrophobicContact CB-CE2 3.88Å; E194-Y196 PolarHBondContact OE2-OH 3.08Å; Y196-D198 VanDerWaalsContact C-N 3.3Å; Y196-L202 HydrophobicContact CD2-CB 4.3Å; Y196-L202 HydrophobicContact CD2-CD1 4.03Å; Y196-L202 HydrophobicContact CG-CB 4.41Å; Y196-H205 HydrophobicContact CE2-CB 4.09Å; Y196-H205 AromaticContact CE2-CG 3.76Å; Y196-H205 AromaticContact CE2-ND1 3.72Å; Y196-H205 AromaticContact CZ-CG 3.79Å; Y196-H205 AromaticContact CZ-ND1 3.38Å; Y196-H205 PolarHBondContact OH-CE1 3.45Å; Y196-H205 VanDerWaalsContact OH-CE1 3.28Å; Y196-H205 PolarHBondContact OH-ND1 3.15Å
197P82.7Confident79.9Confident104 Ų10488.2 Ų88.268%0.67545%0.448SS*.SBendtrans-72.6-24.3177.329.4-34.9000112.7
198D84.9Confident79.3Confident82 Ų8290 Ų9044%0.43947%0.468SS..SBendtrans-131.5148.3-174.2-61.6-77.3000112.5Y196 F200 S201 L202Y196-D198 VanDerWaalsContact C-N 3.3Å; D198-F200 PolarHBondContact O-N 3.46Å; D198-S201 PolarHBondContact O-N 2.87Å; D198-L202 PolarHBondContact O-N 2.89Å
199P81.9Confident78.1Confident76 Ų7696.4 Ų96.449%0.49449%0.489SS..Hα-helixtrans-65.8-27.7171.628.3-33.5000111.9F187 A203F187-P199 HydrophobicContact CD1-CB 3.82Å; F187-P199 HydrophobicContact CE1-CB 3.73Å; F187-P199 HydrophobicContact CE1-CG 4.12Å; F187-P199 HydrophobicContact CG-CB 4.42Å; F187-P199 HydrophobicContact CZ-CB 4.25Å; F187-P199 HydrophobicContact CZ-CG 4.14Å; P199-A203 WeakPolarHBondContact O-CB 3.27Å; P199-A203 PolarHBondContact O-N 2.88Å
200F82.1Confident77.2Confident150 Ų150100.1 Ų100.166%0.65851%0.507SS*.Hα-helixtrans-71.3-40.2175.5-168.6-93.5000111.7D198 L202 A203 Q204D198-F200 PolarHBondContact O-N 3.46Å; F200-L202 VanDerWaalsContact C-N 3.35Å; F200-A203 PolarHBondContact O-N 2.76Å; F200-A203 VanDerWaalsContact O-N 3.16Å; F200-Q204 WeakPolarHBondContact O-CB 3.42Å; F200-Q204 PolarHBondContact O-N 3Å
201S82.7Confident76.1Confident42 Ų4296.6 Ų96.629%0.29450%0.498SS..Hα-helixtrans-62-42.5173.5-64.90000111.2D198 Q204 H205D198-S201 PolarHBondContact O-N 2.87Å; S201-Q204 PolarHBondContact O-N 3.12Å; S201-H205 WeakPolarHBondContact O-CB 3.45Å; S201-H205 PolarHBondContact O-N 3Å
202L85.3Confident75.3Confident52 Ų52102.3 Ų102.327%0.27251%0.513SS..Hα-helixtrans-63.2-38.2171.1175.761.8000113F187 C189 Y196 D198 F200 H205F187-L202 HydrophobicContact CB-CB 4.11Å; F187-L202 HydrophobicContact CB-CD2 3.96Å; C189-L202 HydrophobicContact CB-CD1 3.58Å; Y196-L202 HydrophobicContact CD2-CB 4.3Å; Y196-L202 HydrophobicContact CD2-CD1 4.03Å; Y196-L202 HydrophobicContact CG-CB 4.41Å; D198-L202 PolarHBondContact O-N 2.89Å; F200-L202 VanDerWaalsContact C-N 3.35Å; L202-H205 WeakPolarHBondContact O-CB 3.41Å; L202-H205 PolarHBondContact O-N 2.81Å
203A80.3Confident74.6Confident83 Ų83105 Ų10569%0.68653%0.528SS*.Hα-helixtrans-72-29.7178.300000113.4P199 F200P199-A203 WeakPolarHBondContact O-CB 3.27Å; P199-A203 PolarHBondContact O-N 2.88Å; F200-A203 PolarHBondContact O-N 2.76Å; F200-A203 VanDerWaalsContact O-N 3.16Å
204Q78.4Confident74.2Confident136 Ų136101.6 Ų101.664%0.63652%0.515SS*.Hα-helixtrans-85.1-18.5175.8-175167.4-19.300112.9F200 S201 K206F200-Q204 WeakPolarHBondContact O-CB 3.42Å; F200-Q204 PolarHBondContact O-N 3Å; S201-Q204 PolarHBondContact O-N 3.12Å; Q204-K206 PolarHBondContact O-N 3.19Å
205H81.8Confident73.7Confident42 Ų42101.4 Ų101.419%0.19451%0.511CS..  trans-60.8127.6-179.6165.680.9000112.7C192 E194 Y196 S201 L202 C207C192-H205 PolarHBondContact SG-NE2 3.03Å; C192-H205 VanDerWaalsContact SG-NE2 3.38Å; E194-H205 IonicContact OE2-CE1 3.13Å; E194-H205 PolarHBondContact OE2-CE1 2.9Å; E194-H205 IonicContact OE2-ND1 3.96Å; E194-H205 IonicContact OE2-NE2 2.68Å; Y196-H205 HydrophobicContact CE2-CB 4.09Å; Y196-H205 AromaticContact CE2-CG 3.76Å; Y196-H205 AromaticContact CE2-ND1 3.72Å; Y196-H205 AromaticContact CZ-CG 3.79Å; Y196-H205 AromaticContact CZ-ND1 3.38Å; Y196-H205 PolarHBondContact OH-CE1 3.45Å; Y196-H205 VanDerWaalsContact OH-CE1 3.28Å; Y196-H205 PolarHBondContact OH-ND1 3.15Å; S201-H205 WeakPolarHBondContact O-CB 3.45Å; S201-H205 PolarHBondContact O-N 3Å; L202-H205 WeakPolarHBondContact O-CB 3.41Å; L202-H205 PolarHBondContact O-N 2.81Å; H205-C207 WeakPolarHBondContact NE2-CA 3.33Å; H205-C207 WeakPolarHBondContact NE2-CB 3.31Å; H205-C207 PolarHBondContact NE2-N 3.21Å
206K70.2Confident73.4Confident194 Ų194101.5 Ų101.584%0.84351%0.505SS*.  trans-104.283.8178.7-68.1170.7-173.61650109.4Q204 S208Q204-K206 PolarHBondContact O-N 3.19Å; K206-S208 PolarHBondContact O-N 3.4Å
207C76.8Confident73.5Confident8 Ų898.8 Ų98.85%0.05449%0.494CS..  trans-52.6122.7-174.9-176.60000113H205 R209 I210H205-C207 WeakPolarHBondContact NE2-CA 3.33Å; H205-C207 WeakPolarHBondContact NE2-CB 3.31Å; H205-C207 PolarHBondContact NE2-N 3.21Å; C207-R209 VanDerWaalsContact C-N 3.29Å; C207-R209 PolarHBondContact O-N 3.4Å; C207-R209 PolarHBondContact SG-N 3.05Å; C207-R209 VanDerWaalsContact SG-N 3.39Å; C207-I210 HydrophobicContact CB-CB 4.33Å; C207-I210 HydrophobicContact CB-CD1 3.86Å; C207-I210 HydrophobicContact CB-CG1 3.83Å; C207-I210 VanDerWaalsContact O-CB 3.32Å; C207-I210 WeakPolarHBondContact O-CB 3.44Å; C207-I210 PolarHBondContact O-N 3.4Å; C207-I210 VanDerWaalsContact O-N 3.1Å
208S64.3Low73.4Confident99 Ų9998.7 Ų98.769%0.69249%0.494SS*.THydrogen-bonded Turntrans-65.1-32.5174.555.70000112.6K206 I210K206-S208 PolarHBondContact O-N 3.4Å; S208-I210 CarbonylContact O-C 3.45Å; S208-I210 PolarHBondContact O-N 2.85Å
209R57.2Low73.2Confident191 Ų19199.1 Ų99.172%0.72149%0.493SS*.THydrogen-bonded Turntrans-74.5-12.1173.9-144.1-174.9-163.3128.91.2113.6L191 C207 V211L191-R209 WeakPolarHBondContact O-CD 3.37Å; C207-R209 VanDerWaalsContact C-N 3.29Å; C207-R209 PolarHBondContact O-N 3.4Å; C207-R209 PolarHBondContact SG-N 3.05Å; C207-R209 VanDerWaalsContact SG-N 3.39Å; R209-V211 PolarHBondContact O-N 3.27Å
210I61.8Low73.2Confident92 Ų9297.4 Ų97.447%0.47248%0.482SS..SBendtrans-73.485.8150.9-59.2169.8000105L191 C207 S208 R212L191-I210 HydrophobicContact CD1-CD1 3.77Å; L191-I210 HydrophobicContact CD1-CG1 3.44Å; L191-I210 VanDerWaalsContact CD1-CG1 3.44Å; C207-I210 HydrophobicContact CB-CB 4.33Å; C207-I210 HydrophobicContact CB-CD1 3.86Å; C207-I210 HydrophobicContact CB-CG1 3.83Å; C207-I210 VanDerWaalsContact O-CB 3.32Å; C207-I210 WeakPolarHBondContact O-CB 3.44Å; C207-I210 PolarHBondContact O-N 3.4Å; C207-I210 VanDerWaalsContact O-N 3.1Å; S208-I210 CarbonylContact O-C 3.45Å; S208-I210 PolarHBondContact O-N 2.85Å; I210-R212 PolarHBondContact O-N 3.12Å
211V53.2Low73Confident107 Ų10796 Ų9665%0.64848%0.482SS*.  trans-42.7129.2144.1176.30000105.2R209 V213R209-V211 PolarHBondContact O-N 3.27Å; V211-V213 PolarHBondContact O-N 2.76Å
212R54.2Low72.7Confident214 Ų21499.2 Ų99.281%0.80849%0.491SS*.  trans-63.387.4172.1-74.9-178.3178.4142.60.7107.3I210 E214I210-R212 PolarHBondContact O-N 3.12Å; R212-E214 PolarHBondContact O-N 3.27Å
213V62.2Low72.5Confident79 Ų79100 Ų10048%0.47950%0.497SS..  trans-66.791.8170.7176.30000104.2V211 Y215V211-V213 PolarHBondContact O-N 2.76Å; V213-Y215 VanDerWaalsContact C-N 3.3Å; V213-Y215 HydrophobicContact CB-CE2 4.1Å; V213-Y215 HydrophobicContact CG1-CD1 4.09Å; V213-Y215 HydrophobicContact CG1-CD2 4.45Å; V213-Y215 HydrophobicContact CG1-CE1 3.69Å; V213-Y215 HydrophobicContact CG1-CE2 4.09Å; V213-Y215 HydrophobicContact CG1-CG 4.44Å; V213-Y215 WeakPolarHBondContact O-CD2 3.35Å; V213-Y215 WeakPolarHBondContact O-CE2 3.36Å; V213-Y215 PolarHBondContact O-N 3.03Å
214E69.1Low72.4Confident94 Ų9498.1 Ų98.144%0.43947%0.474SS..  trans-6297.7174.4-72-167.4162.200106.7R212 R216 V223R212-E214 PolarHBondContact O-N 3.27Å; E214-R216 HydrophobicContact CB-CG 4.29Å; E214-R216 VanDerWaalsContact O-CG 3.23Å; E214-R216 WeakPolarHBondContact O-CG 3.41Å; E214-R216 PolarHBondContact O-N 2.81Å; E214-R216 IonicContact OE2-CZ 3.41Å; E214-R216 IonicContact OE2-NE 3.3Å; E214-R216 PolarHBondContact OE2-NE 3.1Å; E214-R216 IonicContact OE2-NH2 2.68Å; E214-R216 PolarHBondContact OE2-NH2 3.29Å; E214-V223 HydrophobicContact CB-CB 4.48Å; E214-V223 HydrophobicContact CB-CG1 3.6Å; E214-V223 HydrophobicContact CB-CG2 4.2Å; E214-V223 HydrophobicContact CG-CG1 3.61Å
215Y70.3Confident72.4Confident86 Ų8696.3 Ų96.334%0.33748%0.476SS..EExtended strand (participates in β ladder)trans-71.283-178.9-72.1-75.4000108V213 F224 P227V213-Y215 VanDerWaalsContact C-N 3.3Å; V213-Y215 HydrophobicContact CB-CE2 4.1Å; V213-Y215 HydrophobicContact CG1-CD1 4.09Å; V213-Y215 HydrophobicContact CG1-CD2 4.45Å; V213-Y215 HydrophobicContact CG1-CE1 3.69Å; V213-Y215 HydrophobicContact CG1-CE2 4.09Å; V213-Y215 HydrophobicContact CG1-CG 4.44Å; V213-Y215 WeakPolarHBondContact O-CD2 3.35Å; V213-Y215 WeakPolarHBondContact O-CE2 3.36Å; V213-Y215 PolarHBondContact O-N 3.03Å; Y215-F224 WeakPolarHBondContact CB-O 3.37Å; Y215-F224 PolarHBondContact N-O 3.12Å; Y215-F224 WeakPolarHBondContact O-CD2 3.42Å; Y215-F224 PolarHBondContact O-N 3.49Å; Y215-F224 VanDerWaalsContact O-N 3.07Å; Y215-P227 HydrophobicContact CD2-CG 4.24Å; Y215-P227 HydrophobicContact CE1-CG 4.11Å; Y215-P227 HydrophobicContact CE2-CG 3.71Å
216R78.7Confident72Confident143 Ų14397 Ų9754%0.5449%0.486SS..EExtended strand (participates in β ladder)trans-73132.9-177.5-55.1-150.5167.7-166.7-2.2109.5E214 P218 K222 V223E214-R216 HydrophobicContact CB-CG 4.29Å; E214-R216 VanDerWaalsContact O-CG 3.23Å; E214-R216 WeakPolarHBondContact O-CG 3.41Å; E214-R216 PolarHBondContact O-N 2.81Å; E214-R216 IonicContact OE2-CZ 3.41Å; E214-R216 IonicContact OE2-NE 3.3Å; E214-R216 PolarHBondContact OE2-NE 3.1Å; E214-R216 IonicContact OE2-NH2 2.68Å; E214-R216 PolarHBondContact OE2-NH2 3.29Å; R216-P218 WeakPolarHBondContact O-CD 3.45Å; R216-K222 WeakPolarHBondContact CA-O 3.48Å; R216-V223 HydrophobicContact CG-CG2 4.09Å
217C85.4Confident72.4Confident0 Ų091.3 Ų91.30%047%0.468CS..  trans-77.3119.4172.1-172.90000109.9E219 C220 D221 K222 F224 L230 H233 H237C217-E219 PolarHBondContact O-N 3.43Å; C217-C220 PolarHBondContact O-N 3Å; C217-D221 WeakPolarHBondContact O-CA 3.43Å; C217-D221 PolarHBondContact O-N 3.17Å; C217-K222 PolarHBondContact N-O 3.2Å; C217-F224 HydrophobicContact CB-CE2 4.37Å; C217-L230 HydrophobicContact CB-CD1 3.65Å; C217-H233 VanDerWaalsContact SG-CD2 3.6Å; C217-H237 VanDerWaalsContact SG-CD2 3.52Å; C217-H237 PolarHBondContact SG-NE2 3.36Å
218P80.8Confident72.4Confident102 Ų10294 Ų9466%0.66249%0.491SS*.THydrogen-bonded Turntrans-66.8-9.9-178.529-35.7000113.2R216R216-P218 WeakPolarHBondContact O-CD 3.45Å
219E80.1Confident73.2Confident91 Ų9193.5 Ų93.543%0.42548%0.481SS..THydrogen-bonded Turntrans-100.7-12.3-174.4-63.5148.9-102.900112C217 R234 H237C217-E219 PolarHBondContact O-N 3.43Å; E219-R234 IonicContact OE1-CZ 2.79Å; E219-R234 IonicContact OE1-NE 2.8Å; E219-R234 PolarHBondContact OE1-NE 3.13Å; E219-R234 IonicContact OE1-NH2 3.96Å; E219-R234 PolarHBondContact OE1-NH2 2.8Å; E219-H237 HydrophobicContact CB-CB 4.38Å; E219-H237 VanDerWaalsContact CB-CD2 3.43Å; E219-H237 WeakPolarHBondContact CB-CD2 3.46Å; E219-H237 WeakPolarHBondContact OE2-CB 3.45Å; E219-H237 IonicContact OE2-CD2 3.69Å; E219-H237 IonicContact OE2-CG 3.64Å
220C82.7Confident74.4Confident40 Ų4085.6 Ų85.627%0.2745%0.452SS..THydrogen-bonded Turntrans-165.725.6174.872.80000116.6C217 K222 H233 H237C217-C220 PolarHBondContact O-N 3Å; C220-K222 PolarHBondContact O-N 3.03Å; C220-K222 WeakPolarHBondContact SG-CE 3.43Å; C220-K222 VanDerWaalsContact SG-CG 3.58Å; C220-H233 PolarHBondContact SG-NE2 2.79Å; C220-H237 PolarHBondContact SG-CE1 3.06Å; C220-H237 PolarHBondContact SG-NE2 3.25Å; C220-H237 VanDerWaalsContact SG-NE2 3.39Å
221D77.1Confident75.4Confident122 Ų12283.8 Ų83.865%0.65245%0.451SS*.  trans55.210.7176-66.7-49.3000118.1C217 V223C217-D221 WeakPolarHBondContact O-CA 3.43Å; C217-D221 PolarHBondContact O-N 3.17Å; D221-V223 PolarHBondContact O-N 3.35Å
222K76Confident76.9Confident109 Ų10982 Ų8247%0.47444%0.444SS..  trans-69.1122.7178.7-67.3-175-148-34.20110.2R216 C217 C220 F224R216-K222 WeakPolarHBondContact CA-O 3.48Å; C217-K222 PolarHBondContact N-O 3.2Å; C220-K222 PolarHBondContact O-N 3.03Å; C220-K222 WeakPolarHBondContact SG-CE 3.43Å; C220-K222 VanDerWaalsContact SG-CG 3.58Å; K222-F224 HydrophobicContact CB-CD2 4.47Å; K222-F224 HydrophobicContact CB-CE2 3.53Å; K222-F224 HydrophobicContact CB-CZ 3.84Å; K222-F224 HydrophobicContact CD-CZ 4.49Å; K222-F224 VanDerWaalsContact O-CD2 3.31Å; K222-F224 WeakPolarHBondContact O-CD2 3.38Å; K222-F224 WeakPolarHBondContact O-CE2 3.46Å
223V81.8Confident78.4Confident68 Ų6873.2 Ų73.241%0.41241%0.411SS..EExtended strand (participates in β ladder)trans-80.2128175.4170.20000110.1E214 R216 D221E214-V223 HydrophobicContact CB-CB 4.48Å; E214-V223 HydrophobicContact CB-CG1 3.6Å; E214-V223 HydrophobicContact CB-CG2 4.2Å; E214-V223 HydrophobicContact CG-CG1 3.61Å; R216-V223 HydrophobicContact CG-CG2 4.09Å; D221-V223 PolarHBondContact O-N 3.35Å
224F79.4Confident79.4Confident43 Ų4375.7 Ų75.719%0.18941%0.412CS..EExtended strand (participates in β ladder)trans-118.3142.4171-62.2-87.8000111.2Y215 C217 K222 C226 N229 L230 H233Y215-F224 WeakPolarHBondContact CB-O 3.37Å; Y215-F224 PolarHBondContact N-O 3.12Å; Y215-F224 WeakPolarHBondContact O-CD2 3.42Å; Y215-F224 PolarHBondContact O-N 3.49Å; Y215-F224 VanDerWaalsContact O-N 3.07Å; C217-F224 HydrophobicContact CB-CE2 4.37Å; K222-F224 HydrophobicContact CB-CD2 4.47Å; K222-F224 HydrophobicContact CB-CE2 3.53Å; K222-F224 HydrophobicContact CB-CZ 3.84Å; K222-F224 HydrophobicContact CD-CZ 4.49Å; K222-F224 VanDerWaalsContact O-CD2 3.31Å; K222-F224 WeakPolarHBondContact O-CD2 3.38Å; K222-F224 WeakPolarHBondContact O-CE2 3.46Å; F224-C226 VanDerWaalsContact C-N 3.33Å; F224-N229 HydrophobicContact CB-CB 4.41Å; F224-N229 HydrophobicContact CD1-CB 3.83Å; F224-N229 HydrophobicContact CG-CB 4.41Å; F224-L230 HydrophobicContact CB-CB 4.25Å; F224-L230 HydrophobicContact CD2-CB 4.05Å; F224-L230 HydrophobicContact CD2-CD1 3.93Å; F224-L230 HydrophobicContact CE2-CD1 4.2Å; F224-L230 HydrophobicContact CG-CB 4.27Å; F224-H233 HydrophobicContact CE1-CB 4.12Å; F224-H233 HydrophobicContact CE2-CB 3.99Å; F224-H233 AromaticContact CE2-CD2 3.21Å; F224-H233 WeakPolarHBondContact CE2-CD2 3.36Å; F224-H233 AromaticContact CE2-CG 3.72Å; F224-H233 HydrophobicContact CZ-CB 3.57Å; F224-H233 AromaticContact CZ-CD2 3.33Å; F224-H233 WeakPolarHBondContact CZ-CD2 3.4Å; F224-H233 AromaticContact CZ-CG 3.37Å
225S77.3Confident80.2Confident99 Ų9980.9 Ų80.969%0.69243%0.428SS*.SBendtrans-82.9-7.8176.1-168.80000113.8
226C74.6Confident80.6Confident57 Ų5787.3 Ų87.339%0.38545%0.451SS..SBendtrans-140.8134.9-174.9-54.70000110.8F224 A228 N229 L230F224-C226 VanDerWaalsContact C-N 3.33Å; C226-A228 VanDerWaalsContact C-N 3.32Å; C226-A228 PolarHBondContact O-N 3.05Å; C226-N229 HydrophobicContact CB-CB 4.49Å; C226-N229 PolarHBondContact O-N 3.16Å; C226-N229 VanDerWaalsContact O-N 3.13Å; C226-L230 PolarHBondContact O-N 3.36Å
227P78.3Confident80.7Confident74 Ų7483.3 Ų83.348%0.48144%0.439SS..Hα-helixtrans-56.6-40.2178.7-26.933.9000114.1Y215 N229 L230 A231Y215-P227 HydrophobicContact CD2-CG 4.24Å; Y215-P227 HydrophobicContact CE1-CG 4.11Å; Y215-P227 HydrophobicContact CE2-CG 3.71Å; P227-N229 PolarHBondContact O-N 2.84Å; P227-L230 PolarHBondContact O-N 3.31Å; P227-A231 WeakPolarHBondContact O-CB 3.36Å; P227-A231 PolarHBondContact O-N 2.6Å
228A76.1Confident80.4Confident64 Ų6491.8 Ų91.853%0.52948%0.476SS..Hα-helixtrans-60.7-33.6179.600000112.8C226 S232C226-A228 VanDerWaalsContact C-N 3.32Å; C226-A228 PolarHBondContact O-N 3.05Å; A228-S232 WeakPolarHBondContact O-CB 3.44Å; A228-S232 PolarHBondContact O-N 2.98Å; A228-S232 PolarHBondContact O-OG 3.06Å
229N80.8Confident79.7Confident89 Ų8992.2 Ų92.248%0.47648%0.478SS..Hα-helixtrans-74-40.2177.8-66.3-10.6000111.1F224 C226 P227 S232 H233F224-N229 HydrophobicContact CB-CB 4.41Å; F224-N229 HydrophobicContact CD1-CB 3.83Å; F224-N229 HydrophobicContact CG-CB 4.41Å; C226-N229 HydrophobicContact CB-CB 4.49Å; C226-N229 PolarHBondContact O-N 3.16Å; C226-N229 VanDerWaalsContact O-N 3.13Å; P227-N229 PolarHBondContact O-N 2.84Å; N229-S232 PolarHBondContact O-N 3.22Å; N229-H233 VanDerWaalsContact O-CB 3.28Å; N229-H233 WeakPolarHBondContact O-CB 3.26Å; N229-H233 PolarHBondContact O-N 3.47Å
230L83.8Confident78.2Confident25 Ų2598.8 Ų98.813%0.13150%0.499CS..Hα-helixtrans-62.2-45.8170.7174.562.1000111.2C217 F224 C226 P227 S232 H233 R234C217-L230 HydrophobicContact CB-CD1 3.65Å; F224-L230 HydrophobicContact CB-CB 4.25Å; F224-L230 HydrophobicContact CD2-CB 4.05Å; F224-L230 HydrophobicContact CD2-CD1 3.93Å; F224-L230 HydrophobicContact CE2-CD1 4.2Å; F224-L230 HydrophobicContact CG-CB 4.27Å; C226-L230 PolarHBondContact O-N 3.36Å; P227-L230 PolarHBondContact O-N 3.31Å; L230-S232 VanDerWaalsContact C-N 3.27Å; L230-S232 PolarHBondContact O-N 3.14Å; L230-H233 PolarHBondContact O-N 3.33Å; L230-H233 VanDerWaalsContact O-N 3.13Å; L230-R234 HydrophobicContact CD1-CG 3.89Å; L230-R234 HydrophobicContact CG-CG 4.32Å; L230-R234 WeakPolarHBondContact O-CG 3.41Å; L230-R234 PolarHBondContact O-N 3.45Å
231A81.4Confident76.7Confident54 Ų54102.2 Ų102.245%0.44652%0.521SS..Hα-helixtrans-61.8-34.7179.500000112.7P227P227-A231 WeakPolarHBondContact O-CB 3.36Å; P227-A231 PolarHBondContact O-N 2.6Å
232S84.1Confident75.2Confident70 Ų70102.2 Ų102.249%0.4953%0.525SS..Hα-helixtrans-73.6-38.4173.7-57.50000111.7A228 N229 L230 R235A228-S232 WeakPolarHBondContact O-CB 3.44Å; A228-S232 PolarHBondContact O-N 2.98Å; A228-S232 PolarHBondContact O-OG 3.06Å; N229-S232 PolarHBondContact O-N 3.22Å; L230-S232 VanDerWaalsContact C-N 3.27Å; L230-S232 PolarHBondContact O-N 3.14Å; S232-R235 PolarHBondContact O-N 3.39Å
233H86Confident73.7Confident28 Ų28102.6 Ų102.613%0.1353%0.533CS..Hα-helixtrans-67.6-40.4177.2173.649.7000113.1C217 C220 F224 N229 L230 R235 W236 H237C217-H233 VanDerWaalsContact SG-CD2 3.6Å; C220-H233 PolarHBondContact SG-NE2 2.79Å; F224-H233 HydrophobicContact CE1-CB 4.12Å; F224-H233 HydrophobicContact CE2-CB 3.99Å; F224-H233 AromaticContact CE2-CD2 3.21Å; F224-H233 WeakPolarHBondContact CE2-CD2 3.36Å; F224-H233 AromaticContact CE2-CG 3.72Å; F224-H233 HydrophobicContact CZ-CB 3.57Å; F224-H233 AromaticContact CZ-CD2 3.33Å; F224-H233 WeakPolarHBondContact CZ-CD2 3.4Å; F224-H233 AromaticContact CZ-CG 3.37Å; N229-H233 VanDerWaalsContact O-CB 3.28Å; N229-H233 WeakPolarHBondContact O-CB 3.26Å; N229-H233 PolarHBondContact O-N 3.47Å; L230-H233 PolarHBondContact O-N 3.33Å; L230-H233 VanDerWaalsContact O-N 3.13Å; H233-R235 PolarHBondContact O-N 3.29Å; H233-R235 VanDerWaalsContact O-N 3.16Å; H233-W236 WeakPolarHBondContact O-CB 3.44Å; H233-W236 PolarHBondContact O-N 3.3Å; H233-H237 AromaticContact CD2-NE2 3.88Å; H233-H237 AromaticContact CE1-CE1 3.6Å; H233-H237 AromaticContact CE1-NE2 3.33Å; H233-H237 PolarHBondContact CE1-NE2 3.43Å; H233-H237 VanDerWaalsContact CE1-NE2 3.33Å; H233-H237 AromaticContact NE2-CE1 3.73Å; H233-H237 AromaticContact NE2-NE2 3.08Å; H233-H237 PolarHBondContact NE2-NE2 3.28Å
234R84.3Confident71.9Confident131 Ų131106.4 Ų106.449%0.49455%0.55SS.*Hα-helixtrans-61.2-24.6177.6-70.1-177.573.2-154-1.7113.3E219 L230 W236 H237E219-R234 IonicContact OE1-CZ 2.79Å; E219-R234 IonicContact OE1-NE 2.8Å; E219-R234 PolarHBondContact OE1-NE 3.13Å; E219-R234 IonicContact OE1-NH2 3.96Å; E219-R234 PolarHBondContact OE1-NH2 2.8Å; L230-R234 HydrophobicContact CD1-CG 3.89Å; L230-R234 HydrophobicContact CG-CG 4.32Å; L230-R234 WeakPolarHBondContact O-CG 3.41Å; L230-R234 PolarHBondContact O-N 3.45Å; R234-W236 PolarHBondContact O-N 2.86Å; R234-H237 PolarHBondContact O-N 3.23Å
235R85.8Confident70.2Confident204 Ų204112 Ų11277%0.7758%0.577SS**THydrogen-bonded Turntrans-66.7-18.9172.8-62.6174.8-173.9-129.21.3113.4S232 H233S232-R235 PolarHBondContact O-N 3.39Å; H233-R235 PolarHBondContact O-N 3.29Å; H233-R235 VanDerWaalsContact O-N 3.16Å
236W78.9Confident68.2Low220 Ų220110.5 Ų110.583%0.83358%0.578SS**THydrogen-bonded Turntrans-81.2-21.4175.9-8373.9000113.9H233 R234H233-W236 WeakPolarHBondContact O-CB 3.44Å; H233-W236 PolarHBondContact O-N 3.3Å; R234-W236 PolarHBondContact O-N 2.86Å
237H81.2Confident66.4Low60 Ų60115.9 Ų115.928%0.27860%0.601SS.*THydrogen-bonded Turntrans-81.3-17.1179.7-66.4-47.9000113.8C217 E219 C220 H233 R234 P239C217-H237 VanDerWaalsContact SG-CD2 3.52Å; C217-H237 PolarHBondContact SG-NE2 3.36Å; E219-H237 HydrophobicContact CB-CB 4.38Å; E219-H237 VanDerWaalsContact CB-CD2 3.43Å; E219-H237 WeakPolarHBondContact CB-CD2 3.46Å; E219-H237 WeakPolarHBondContact OE2-CB 3.45Å; E219-H237 IonicContact OE2-CD2 3.69Å; E219-H237 IonicContact OE2-CG 3.64Å; C220-H237 PolarHBondContact SG-CE1 3.06Å; C220-H237 PolarHBondContact SG-NE2 3.25Å; C220-H237 VanDerWaalsContact SG-NE2 3.39Å; H233-H237 AromaticContact CD2-NE2 3.88Å; H233-H237 AromaticContact CE1-CE1 3.6Å; H233-H237 AromaticContact CE1-NE2 3.33Å; H233-H237 PolarHBondContact CE1-NE2 3.43Å; H233-H237 VanDerWaalsContact CE1-NE2 3.33Å; H233-H237 AromaticContact NE2-CE1 3.73Å; H233-H237 AromaticContact NE2-NE2 3.08Å; H233-H237 PolarHBondContact NE2-NE2 3.28Å; R234-H237 PolarHBondContact O-N 3.23Å; H237-P239 WeakPolarHBondContact O-CD 3.4Å
238K78.5Confident64.6Low178 Ų178121.5 Ų121.577%0.77462%0.621SS**SBendtrans-95.191.9170.9-166.8165.3-167.7172.90108.8R240K238-R240 PolarHBondContact O-N 3.07Å
239P65.3Low62.4Low110 Ų110122.3 Ų122.371%0.71464%0.635SS**PPolyproline II helixtrans-55.9131.9175.424.4-34.2000109.1H237 P241H237-P239 WeakPolarHBondContact O-CD 3.4Å; P239-P241 WeakPolarHBondContact O-CD 3.29Å
240R50.1Low60.2Low229 Ų229127.5 Ų127.586%0.86466%0.656SS**PPolyproline II helixtrans-64.3124177.4-177.2-175.6-177.8-147.21.3107.8K238 V242K238-R240 PolarHBondContact O-N 3.07Å; R240-V242 PolarHBondContact O-N 3.45Å
241P49.9Very low57.7Low112 Ų112130.6 Ų130.673%0.72769%0.685SS**PPolyproline II helixtrans-60.5124.9171.625.4-32.7000108.7P239 N243P239-P241 WeakPolarHBondContact O-CD 3.29Å; P241-N243 PolarHBondContact O-N 2.95Å; P241-N243 VanDerWaalsContact O-N 3.14Å
242V46.6Very low55.4Low123 Ų123135.8 Ų135.875%0.74571%0.705SS**  trans-73.6101.2174.6-83.50000108.7R240 N244R240-V242 PolarHBondContact O-N 3.45Å; V242-N244 VanDerWaalsContact C-N 3.29Å; V242-N244 PolarHBondContact O-N 3.06Å
243N43.4Very low53.2Low117 Ų117143.5 Ų143.563%0.62672%0.724SS**  trans-74.883.9175.5-173.977.7000109.5P241 Q245P241-N243 PolarHBondContact O-N 2.95Å; P241-N243 VanDerWaalsContact O-N 3.14Å; N243-Q245 PolarHBondContact ND2-OE1 2.74Å; N243-Q245 PolarHBondContact O-N 3.25Å
244N44.8Very low50.6Low147 Ų147148.9 Ų148.979%0.78676%0.759SS**  trans-75.487.7178.7-75.41.6000110.6V242V242-N244 VanDerWaalsContact C-N 3.29Å; V242-N244 PolarHBondContact O-N 3.06Å
245Q42.7Very low48.6Very low160 Ų160150 Ų15075%0.74877%0.77SS**  trans-136.2126.6165.8-66.3167.6-20.100106.2N243N243-Q245 PolarHBondContact ND2-OE1 2.74Å; N243-Q245 PolarHBondContact O-N 3.25Å
246G35.7Very low46.3Very low69 Ų69146.4 Ų146.471%0.71177%0.773SS**  cis155.6114.9-6.700000109.5
247I37.8Very low44.3Very low170 Ų170142.8 Ų142.887%0.87277%0.769SS**  trans-123.793.5173.2-61.5-176.6000108.6
248E38.5Very low42Very low192 Ų192148.3 Ų148.390%0.89779%0.792SS**  trans34.2129.3143.8-52-168.7151.800121.6
249G31.3Very low39.7Very low80 Ų80147.7 Ų147.783%0.82579%0.792SS**  trans-164.5128.216400000109.4
250H34.4Very low38.3Very low199 Ų199147.2 Ų147.292%0.92180%0.797SS**  trans-94.8163.8-164.3-126.9-105000114.5
251A31.1Very low37.5Very low90 Ų90147.1 Ų147.174%0.74480%0.797SS**  trans71.8135177.800000116
252N32.4Very low36.5Very low162 Ų162148 Ų14887%0.86680%0.796SS**  cis-141.9171.728.7-142.3-30.2000114.2
253R37.8Very low35.6Very low233 Ų233150.8 Ų150.888%0.87980%0.798SS**  trans-101.2121.4-174.4-123.7-177.1170.2169.5-5.1112.1
254T31Very low35.2Very low140 Ų140150.8 Ų150.886%0.85980%0.802SS**  trans-156.7117.5148.56.10000111.4
255Q43.7Very low34.5Very low154 Ų154148.2 Ų148.272%0.7279%0.792SS**  trans-99.6162.1153.1-74-174.9-15.200107.9
256P36.6Very low34Very low130 Ų130148.1 Ų148.184%0.84479%0.791SS**  -115.8142.5110-11.529.6000113.6
257L36.5Very low33.6Very low144 Ų144154.1 Ų154.175%0.75480%0.801SS**  trans-73.8156159.6-75.3159.5000110.2
258K33.9Very low33.1Very low176 Ų176155.1 Ų155.177%0.76579%0.793SS**  trans172.5143.9144.7-96.5-167.5177.4-164.90109.3
259E29.2Very low32.7Very low165 Ų165152.8 Ų152.877%0.77178%0.782SS**  cis-160.2154.8-22-130.1158.8-170.100106.3
260A37.4Very low33.5Very low99 Ų99153.9 Ų153.982%0.81878%0.775SS**  trans-107.5147-167.300000114.7
261R33Very low33.5Very low228 Ų228150.5 Ų150.586%0.8677%0.768SS**  trans-164.1139.8168.9-84-151.5159127.62.3109.2
262D27.7Very low33.6Very low130 Ų130151.9 Ų151.970%0.69576%0.763SS**  cis-143.3145.7-14.3-66.6-55.5000106.2
263F27.9Very low34Very low181 Ų181151.1 Ų151.179%0.79476%0.758SS**  39.9120.185.2-110.6-116.6000113.6
264V35.9Very low33.9Very low117 Ų117148.9 Ų148.971%0.70976%0.758SS**  cis-161.3128.448.7152.30000106.3
265T29.8Very low34Very low94 Ų94145.7 Ų145.758%0.57775%0.753SS**  78.112859.165.70000117.5
266H31.6Very low34.1Very low158 Ų158148.6 Ų148.673%0.73176%0.763SS**  trans73.6150.8173.8-69.5-84.2000116.9
267E27.6Very low34.2Very low195 Ų195151 Ų15191%0.91176%0.763SS**  cis-112.3-168.319.3-58.9-153.583.300116.9
268R28.6Very low34.5Very low191 Ų191150 Ų15072%0.72176%0.758SS**  trans-144.7137.9-164.8-90.1-176.5171-143.716.4114.6
269Q29.5Very low34.9Very low142 Ų142151.2 Ų151.266%0.66477%0.766SS**  trans61.7176.9136.4-64.2-177.6-63.600117.9
270P48.6Very low35.7Very low103 Ų103150.9 Ų150.967%0.66977%0.769SS**  cis-108.1-177.3-8.916.19.7000112.4
271V33.9Very low36.2Very low128 Ų128153.2 Ų153.278%0.77677%0.767SS**  cis-148.3124.842.1-77.10000114.1
272D33.8Very low36.8Very low120 Ų120154.1 Ų154.164%0.64277%0.771SS**  36.3142.3108-55.4-24.7000120.3
273L40Very low37.6Very low145 Ų145152 Ų15276%0.75977%0.771SS**  cis-164.1176.43-120.5173000113.1
274E35.9Very low38.4Very low187 Ų187151.8 Ų151.887%0.87477%0.772SS**  trans69.5148.1165.7-66.4174.4125.200119.2
275G33.4Very low38.6Very low73 Ų73152.3 Ų152.375%0.75378%0.775SS**  cis-150.7-176.21.100000112.9
276K45.4Very low39.5Very low215 Ų215154.4 Ų154.494%0.93578%0.783SS**  trans-120109.8-167.1-63.3167.3-177.9165.80114.4
277E39.2Very low39.7Very low181 Ų181155.7 Ų155.785%0.84679%0.79SS**  trans-162.6122.3161.650.9-178.3143.400115
278N41.6Very low40.1Very low122 Ų122153.4 Ų153.465%0.65278%0.779SS**  trans174.24.7136.8-106.8-87.4000116L280N278-L280 PolarHBondContact O-N 3.19Å
279E42Very low40.4Very low201 Ų201152.4 Ų152.494%0.93979%0.787SS**THydrogen-bonded Turntrans-80.822.8-175.3-162.5137-142.500115.3
280L46.3Very low40.5Very low158 Ų158151.7 Ų151.783%0.82779%0.787SS**THydrogen-bonded Turntrans-118.6-4.4-179.2-90.7167000115.6N278N278-L280 PolarHBondContact O-N 3.19Å
281L48.3Very low39.8Very low149 Ų149151.3 Ų151.378%0.7879%0.787SS**THydrogen-bonded Turntrans-92.713-177-84.8167.5000115.5
282R46.5Very low39.8Very low247 Ų247150.3 Ų150.393%0.93279%0.786SS**THydrogen-bonded Turntrans-111.74.9178.5-68.4-168.2176.9-162.32.2115.4
283A44.3Very low40Very low84 Ų84156.1 Ų156.169%0.69480%0.799SS**SBendtrans-104.24.4-170.900000115.8
284H44.5Very low39.7Very low178 Ų178154.9 Ų154.982%0.82480%0.797SS**SBendtrans-13856.8-166.3-156.5-71.9000116.3
285T40.8Very low39.7Very low127 Ų127153.1 Ų153.178%0.77979%0.793SS**SBendtrans-1415.5166.257.10000115.6
286N46.9Very low39.8Very low139 Ų139156.1 Ų156.174%0.74379%0.791SS**SBendtrans-139.170.3-177.7-79.5-80.4000112.6
287Q36.5Very low39.2Very low185 Ų185151.9 Ų151.986%0.86478%0.778SS**  trans175.6145.9166.7-97.8145.396.500106.3
288H35.3Very low38.9Very low146 Ų146151.6 Ų151.668%0.67678%0.776SS**  cis-155.2134.8-22-164.2-102.8000105.8D290H288-D290 VanDerWaalsContact CE1-CB 3.43Å; H288-D290 WeakPolarHBondContact CE1-CB 3.19Å
289L36.5Very low38.1Very low171 Ų171149.4 Ų149.490%0.89578%0.782SS**  trans-135.856.9172.5-79.4-177.8000110.6
290D31Very low37.6Very low126 Ų126151.3 Ų151.367%0.67478%0.781SS**  trans-84.4138146.1-165.4-12.8000107.7H288H288-D290 VanDerWaalsContact CE1-CB 3.43Å; H288-D290 WeakPolarHBondContact CE1-CB 3.19Å
291S32.8Very low36.8Very low96 Ų96149.2 Ų149.267%0.67178%0.775SS**  trans-139.9101.2-174.1-82.50000110.9
292S34.4Very low35.8Very low107 Ų107152.5 Ų152.575%0.74878%0.777SS**  trans-157.6129.8165.6-890000112.7
293R38.1Very low34.8Very low242 Ų242147.2 Ų147.291%0.91377%0.767SS**  trans70.6152.7178.3-56.7177.1153.5145.7-5.9113.1
294V35Very low34.1Very low118 Ų118149.4 Ų149.472%0.71577%0.772SS**  cis-144.6116.933.81710000112.7
295L34.5Very low34.6Very low151 Ų151146.5 Ų146.579%0.79177%0.769SS**  trans64.4168.5150.6-52.1172.5000118.4
296L34.8Very low33.8Very low136 Ų136147.3 Ų147.371%0.71277%0.769SS**  cis-155.9152.49.8-163.452.3000115.1
297L34.4Very low33Very low125 Ų125144.9 Ų144.965%0.65476%0.762SS**  trans79.7146.4147.8-100.1168.3000124.7
298H31.6Very low32.7Very low175 Ų175141.2 Ų141.281%0.8176%0.757SS**  trans70.2128.7175.2-49.1103.3000117.2
299G26.5Very low32.4Very low76 Ų76139.1 Ų139.178%0.78476%0.759SS**  cis-160.8175.9-1.800000113.4
300R31Very low32Very low242 Ų242136.6 Ų136.691%0.91375%0.751SS**  trans-68.2160.8175.3-68.4174.5169.4152.7-5.4110.2
301T28.2Very low31.9Very low114 Ų114137.2 Ų137.270%0.69975%0.75SS**  -176.3152.96447.30000113.9
302R28.3Very low31.6Very low218 Ų218142.5 Ų142.582%0.82376%0.756SS**  trans66.8154.9152-68.4179.8152.3144.1-3.4118.5
303D25.5Very low31.4Very low135 Ų135148.6 Ų148.672%0.72276%0.763SS**  cis-152.5173.2-20.7-97.6-22000108.7
304T29.2Very low31.2Very low130 Ų130142.5 Ų142.580%0.79875%0.748SS**  trans-110-173.5-176.858.70000111.4
305P55.6Low31.5Very low117 Ų117142.2 Ų142.276%0.7675%0.749SS**  cis-129.9-141.3-24.233.2-10.4000111.2
306D24.3Very low31.4Very low145 Ų145139.8 Ų139.878%0.77574%0.737SS**  trans92.8134151.9-14365.7000118.1
307S29.1Very low31.5Very low87 Ų87140.5 Ų140.561%0.60874%0.74SS**  cis-163.2174.4-24.1-106.30000110.9
308S30.4Very low32.1Very low109 Ų109142.1 Ų142.176%0.76274%0.744SS**  trans63107.6164.7-57.20000116.3
309S28.4Very low32.5Very low102 Ų102139.8 Ų139.871%0.71375%0.745SS**  55.7124.554.8-147.90000111.6
310T28.9Very low32.9Very low118 Ų118144.4 Ų144.472%0.72475%0.746SS**  -151.8157.454.142.10000115.2
311H29.9Very low33.2Very low139 Ų139139.6 Ų139.664%0.64474%0.743SS**  trans24.8125.8143.9-64.8-96.8000119.5
312Y25.6Very low33.4Very low207 Ų207146.1 Ų146.181%0.81276%0.755SS**  cis-146.4179.617.3-70.7-81.4000109.5
313R30.5Very low33.8Very low234 Ų234141 Ų14188%0.88376%0.759SS**  cis-153.6161.710.1-149.6179.7-167.9178.34.6110.5
314N33Very low34.3Very low115 Ų115138.9 Ų138.962%0.61576%0.76SS**  trans-147.3177.3162.4-142.79.8000107.3D316N314-D316 PolarHBondContact ND2-OD2 3.31Å; N314-D316 PolarHBondContact OD1-N 3.03Å
315P41.9Very low34.4Very low111 Ų111140.1 Ų140.172%0.72176%0.762SS**  cis-109.21672943.5-34.5000113.1
316D31.8Very low33.3Very low101 Ų101139.8 Ų139.854%0.5476%0.763SS.*  cis58.8147.749.5-98.1-61.5000113.4N314 Q318N314-D316 PolarHBondContact ND2-OD2 3.31Å; N314-D316 PolarHBondContact OD1-N 3.03Å; D316-Q318 PolarHBondContact OD1-N 3.33Å
317L37.9Very low34Very low150 Ų150140.7 Ų140.779%0.78577%0.767SS**  cis-130.7138.436.7-76.8159.5000115
318Q45.8Very low34.9Very low159 Ų159141.8 Ų141.874%0.74378%0.781SS**PPolyproline II helixtrans-78.3130.4142.5-64.3-176.322.700109.8D316 H320D316-Q318 PolarHBondContact OD1-N 3.33Å; Q318-H320 PolarHBondContact O-N 2.81Å
319P41.5Very low36Very low126 Ų126145.6 Ų145.682%0.81879%0.787SS**PPolyproline II helixtrans-71.4118.6164.4-19.634000110.5
320H34.5Very low37.5Very low173 Ų173145.5 Ų145.580%0.80178%0.775SS**PPolyproline II helixtrans-63.8153176.8-82.2-105.3000113.1Q318Q318-H320 PolarHBondContact O-N 2.81Å
321V35.9Very low39.4Very low142 Ų142146.5 Ų146.586%0.86177%0.771SS**PPolyproline II helixtrans-54.1136.1161-72.10000111.8
322R32.8Very low41.8Very low250 Ų250143.5 Ų143.594%0.94376%0.76SS**  trans-130.6132.3154.5-86.5-170.3165127.3-1.4108.3
323A38.2Very low44.7Very low110 Ų110136.7 Ų136.791%0.90973%0.733SS**  trans-103114.4177.900000109.9
324A34.4Very low47.3Very low91 Ų91130.7 Ų130.775%0.75272%0.715SS**  trans-162.3118.3156.600000108.3
325D31.4Very low49.9Very low157 Ų157125.3 Ų125.384%0.8469%0.686SS**  trans24105.1159.1-52.5-44.7000120.1
326S33.3Very low51.8Low110 Ų110131.3 Ų131.377%0.76970%0.695SS**  172.1139106.4-77.90000114.6
327L38.5Very low53.8Low164 Ų164134.7 Ų134.786%0.85970%0.701SS**  trans54.1103.1155.7-59.8177.8000119.2E329L327-E329 PolarHBondContact O-N 3.22Å
328A47.7Very low55.8Low109 Ų109130.1 Ų130.190%0.90168%0.681SS**  trans-46.9110.5173.400000116.1
329E53.9Low57.1Low190 Ų190125 Ų12589%0.88867%0.672SS**  trans-80.3131.4154-61.6-164.5139.800109.8L327 E331L327-E329 PolarHBondContact O-N 3.22Å; E329-E331 PolarHBondContact O-N 3.44Å
330E60.5Low59Low100 Ų100124.7 Ų124.747%0.46766%0.657SS.*  trans-70.2124.8172.8-77.3-17098.400110.7L332 R343E330-L332 VanDerWaalsContact C-N 3.31Å; E330-L332 HydrophobicContact CB-CG 4.17Å; E330-L332 WeakPolarHBondContact O-CG 3.4Å; E330-L332 PolarHBondContact O-N 3.02Å; E330-R343 VanDerWaalsContact OE1-CD 3.24Å; E330-R343 WeakPolarHBondContact OE1-CD 3.29Å; E330-R343 WeakPolarHBondContact OE1-CG 3.15Å; E330-R343 IonicContact OE1-CZ 2.89Å; E330-R343 IonicContact OE1-NE 3.53Å; E330-R343 PolarHBondContact OE1-NE 3.01Å; E330-R343 IonicContact OE1-NH2 3.47Å; E330-R343 IonicContact OE2-CZ 3.51Å; E330-R343 IonicContact OE2-NE 3.16Å; E330-R343 PolarHBondContact OE2-NE 2.87Å; E330-R343 IonicContact OE2-NH2 3.64Å; E330-R343 PolarHBondContact OE2-NH2 2.89Å
331E68.2Low61.3Low138 Ų138122.9 Ų122.965%0.64565%0.647SS**  trans-65.786.3174.9-163.6-167.214900111E329 Y333E329-E331 PolarHBondContact O-N 3.44Å; E331-Y333 HydrophobicContact CG-CE1 4.36Å; E331-Y333 WeakPolarHBondContact O-CD2 3.29Å; E331-Y333 WeakPolarHBondContact O-CE2 3.4Å; E331-Y333 PolarHBondContact O-N 3.39Å; E331-Y333 WeakPolarHBondContact OE1-CE1 3.06Å; E331-Y333 PolarHBondContact OE1-OH 3.47Å; E331-Y333 PolarHBondContact OE2-OH 3.25Å
332L81Confident63.7Low77 Ų77118.3 Ų118.340%0.40362%0.615SS.*  trans-89.995.4-171.4-81.2165.7000111.9E330 E334 K341 R343E330-L332 VanDerWaalsContact C-N 3.31Å; E330-L332 HydrophobicContact CB-CG 4.17Å; E330-L332 WeakPolarHBondContact O-CG 3.4Å; E330-L332 PolarHBondContact O-N 3.02Å; L332-E334 PolarHBondContact O-N 3.14Å; L332-K341 HydrophobicContact CB-CB 4.35Å; L332-K341 HydrophobicContact CB-CD 4.49Å; L332-K341 HydrophobicContact CD2-CB 4.41Å; L332-R343 HydrophobicContact CD2-CB 4.47Å; L332-R343 HydrophobicContact CD2-CG 3.77Å
333Y85.2Confident66.2Low63 Ų63114.5 Ų114.525%0.24760%0.601CS.*EExtended strand (participates in β ladder)trans-62.9116177.6-57.4-77000112.4E331 F342 Q345E331-Y333 HydrophobicContact CG-CE1 4.36Å; E331-Y333 WeakPolarHBondContact O-CD2 3.29Å; E331-Y333 WeakPolarHBondContact O-CE2 3.4Å; E331-Y333 PolarHBondContact O-N 3.39Å; E331-Y333 WeakPolarHBondContact OE1-CE1 3.06Å; E331-Y333 PolarHBondContact OE1-OH 3.47Å; E331-Y333 PolarHBondContact OE2-OH 3.25Å; Y333-F342 PolarHBondContact N-O 3.31Å; Y333-F342 PolarHBondContact O-N 2.88Å; Y333-Q345 HydrophobicContact CD1-CB 4.16Å; Y333-Q345 HydrophobicContact CD1-CG 4.45Å; Y333-Q345 HydrophobicContact CD2-CB 3.89Å; Y333-Q345 HydrophobicContact CE1-CB 4.14Å; Y333-Q345 HydrophobicContact CE2-CB 3.82Å; Y333-Q345 HydrophobicContact CG-CB 4.03Å
334E85.2Confident68.4Low109 Ų109116.5 Ų116.551%0.50959%0.585SS.*EExtended strand (participates in β ladder)trans-101145.2-176.361.8173.3-14600115.2L332 R336 K340 K341 L348L332-E334 PolarHBondContact O-N 3.14Å; E334-R336 PolarHBondContact O-N 2.86Å; E334-K340 CarbonylContact C-O 3.44Å; E334-K340 WeakPolarHBondContact CA-O 3.42Å; E334-K341 HydrophobicContact CB-CG 4.13Å; E334-L348 WeakPolarHBondContact O-CD2 3.39Å
335C88.3Confident70.9Confident2 Ų2116 Ų1161%0.01457%0.567CS.*  trans-83107.3178.2-173.80000112.1Y337 C338 G339 K340 F342 L348 H351C335-Y337 PolarHBondContact O-N 3.19Å; C335-C338 PolarHBondContact O-N 3.39Å; C335-G339 PolarHBondContact O-N 2.87Å; C335-K340 HydrophobicContact CB-CB 4.3Å; C335-K340 PolarHBondContact N-O 3.29Å; C335-F342 HydrophobicContact CB-CE2 4.29Å; C335-L348 HydrophobicContact CB-CD1 3.58Å; C335-H351 VanDerWaalsContact SG-CD2 3.53Å; C335-H351 PolarHBondContact SG-NE2 2.93Å
336R82.4Confident73.6Confident236 Ų236111.6 Ų111.689%0.89155%0.552SS**THydrogen-bonded Turntrans-52-18.9175.6-55.7177.7-170.8140.80.4115.3E334E334-R336 PolarHBondContact O-N 2.86Å
337Y72.6Confident76.1Confident172 Ų172111.7 Ų111.768%0.67554%0.537SS*.THydrogen-bonded Turntrans-97.1-16.1-179.3-60.2-87.9000114.1C335 L352C335-Y337 PolarHBondContact O-N 3.19Å; Y337-L352 HydrophobicContact CD2-CD2 3.55Å; Y337-L352 HydrophobicContact CE2-CD2 3.78Å
338C80.4Confident78.6Confident54 Ų54104.5 Ų104.537%0.36550%0.499SS..THydrogen-bonded Turntrans-16021.5-179.171.60000116.1C335 K340 H351C335-C338 PolarHBondContact O-N 3.39Å; C338-K340 PolarHBondContact O-N 2.87Å; C338-K340 VanDerWaalsContact SG-CD 3.56Å; C338-H351 PolarHBondContact SG-NE2 2.75Å
339G74.2Confident80.4Confident53 Ų53106.1 Ų106.155%0.54649%0.486SS..  trans67.30.217300000117.2C335 K341C335-G339 PolarHBondContact O-N 2.87Å; G339-K341 PolarHBondContact O-N 3.42Å
340K80.1Confident82Confident118 Ų118104.7 Ų104.751%0.51348%0.477SS..  trans-69.5120-175.7-70175.1-169.8167.70110.7E334 C335 C338 F342E334-K340 CarbonylContact C-O 3.44Å; E334-K340 WeakPolarHBondContact CA-O 3.42Å; C335-K340 HydrophobicContact CB-CB 4.3Å; C335-K340 PolarHBondContact N-O 3.29Å; C338-K340 PolarHBondContact O-N 2.87Å; C338-K340 VanDerWaalsContact SG-CD 3.56Å; K340-F342 HydrophobicContact CB-CE2 3.63Å; K340-F342 HydrophobicContact CB-CZ 3.93Å; K340-F342 WeakPolarHBondContact O-CD2 3.38Å; K340-F342 WeakPolarHBondContact O-CE2 3.32Å
341K83.1Confident83.1Confident135 Ų135101.4 Ų101.459%0.58746%0.461SS*.EExtended strand (participates in β ladder)trans-87.2137.7178-58.6-164.5173.5-169.20111.3L332 E334 G339L332-K341 HydrophobicContact CB-CB 4.35Å; L332-K341 HydrophobicContact CB-CD 4.49Å; L332-K341 HydrophobicContact CD2-CB 4.41Å; E334-K341 HydrophobicContact CB-CG 4.13Å; G339-K341 PolarHBondContact O-N 3.42Å
342F86.4Confident83.9Confident46 Ų4696.7 Ų96.720%0.20244%0.44CS..EExtended strand (participates in β ladder)trans-132125.4-177-64.3-89.3000111.4Y333 C335 K340 R344 L348 H351Y333-F342 PolarHBondContact N-O 3.31Å; Y333-F342 PolarHBondContact O-N 2.88Å; C335-F342 HydrophobicContact CB-CE2 4.29Å; K340-F342 HydrophobicContact CB-CE2 3.63Å; K340-F342 HydrophobicContact CB-CZ 3.93Å; K340-F342 WeakPolarHBondContact O-CD2 3.38Å; K340-F342 WeakPolarHBondContact O-CE2 3.32Å; F342-R344 PolarHBondContact O-N 2.81Å; F342-L348 HydrophobicContact CB-CB 4.31Å; F342-L348 HydrophobicContact CD2-CB 3.93Å; F342-L348 HydrophobicContact CD2-CD1 3.9Å; F342-L348 HydrophobicContact CD2-CG 4.48Å; F342-L348 HydrophobicContact CE2-CD1 3.98Å; F342-L348 HydrophobicContact CG-CB 4.27Å; F342-H351 HydrophobicContact CE1-CB 4.16Å; F342-H351 HydrophobicContact CE2-CB 4.04Å; F342-H351 AromaticContact CE2-CD2 3.45Å; F342-H351 VanDerWaalsContact CE2-CD2 3.45Å; F342-H351 WeakPolarHBondContact CE2-CD2 3.39Å; F342-H351 AromaticContact CE2-CG 3.91Å; F342-H351 HydrophobicContact CZ-CB 3.55Å; F342-H351 AromaticContact CZ-CD2 3.44Å; F342-H351 VanDerWaalsContact CZ-CD2 3.44Å; F342-H351 WeakPolarHBondContact CZ-CD2 3.42Å; F342-H351 AromaticContact CZ-CG 3.47Å; F342-H351 VanDerWaalsContact CZ-CG 3.47Å
343R85.5Confident84Confident171 Ų17194.6 Ų94.665%0.64543%0.434SS*.SBendtrans-57.9-10.9176.2-75.6-179.7157165.4-9.5115.8E330 L332E330-R343 VanDerWaalsContact OE1-CD 3.24Å; E330-R343 WeakPolarHBondContact OE1-CD 3.29Å; E330-R343 WeakPolarHBondContact OE1-CG 3.15Å; E330-R343 IonicContact OE1-CZ 2.89Å; E330-R343 IonicContact OE1-NE 3.53Å; E330-R343 PolarHBondContact OE1-NE 3.01Å; E330-R343 IonicContact OE1-NH2 3.47Å; E330-R343 IonicContact OE2-CZ 3.51Å; E330-R343 IonicContact OE2-NE 3.16Å; E330-R343 PolarHBondContact OE2-NE 2.87Å; E330-R343 IonicContact OE2-NH2 3.64Å; E330-R343 PolarHBondContact OE2-NH2 2.89Å; L332-R343 HydrophobicContact CD2-CB 4.47Å; L332-R343 HydrophobicContact CD2-CG 3.77Å
344R84.9Confident83.6Confident152 Ų15293.9 Ų93.957%0.57444%0.442SS*.SBendtrans-149131.8179.3-76.1-175.8-86.9-171.8-4.8111.4F342 A346 Y347 L348F342-R344 PolarHBondContact O-N 2.81Å; R344-A346 PolarHBondContact O-N 3.21Å; R344-A346 VanDerWaalsContact O-N 3.09Å; R344-Y347 HydrophobicContact CB-CD2 3.88Å; R344-Y347 HydrophobicContact CB-CE2 4.2Å; R344-Y347 PolarHBondContact NH2-OH 3.35Å; R344-Y347 PolarHBondContact O-N 2.68Å; R344-L348 PolarHBondContact O-N 2.85Å
345Q85.6Confident83.1Confident80 Ų8091.6 Ų91.637%0.37443%0.43SS..Hα-helixtrans-53.1-32.1179.7-174.364.6-74.200113.5Y333 Y347 L348 K349Y333-Q345 HydrophobicContact CD1-CB 4.16Å; Y333-Q345 HydrophobicContact CD1-CG 4.45Å; Y333-Q345 HydrophobicContact CD2-CB 3.89Å; Y333-Q345 HydrophobicContact CE1-CB 4.14Å; Y333-Q345 HydrophobicContact CE2-CB 3.82Å; Y333-Q345 HydrophobicContact CG-CB 4.03Å; Q345-Y347 VanDerWaalsContact C-N 3.3Å; Q345-Y347 PolarHBondContact O-N 3.3Å; Q345-L348 PolarHBondContact O-N 2.98Å; Q345-K349 WeakPolarHBondContact O-CG 3.31Å; Q345-K349 PolarHBondContact O-N 3.39Å
346A88.6Confident82.1Confident64 Ų6496.8 Ų96.853%0.52946%0.455SS..Hα-helixtrans-64.9-28.5176.100000113.9R344 K350R344-A346 PolarHBondContact O-N 3.21Å; R344-A346 VanDerWaalsContact O-N 3.09Å; A346-K350 WeakPolarHBondContact O-CG 3.44Å; A346-K350 PolarHBondContact O-N 3.27Å
347Y86.3Confident80.7Confident112 Ų11292.7 Ų92.744%0.43945%0.447SS..Hα-helixtrans-80.6-36.6173.8-61.5-49.3000111.7R344 Q345 K350 H351R344-Y347 HydrophobicContact CB-CD2 3.88Å; R344-Y347 HydrophobicContact CB-CE2 4.2Å; R344-Y347 PolarHBondContact NH2-OH 3.35Å; R344-Y347 PolarHBondContact O-N 2.68Å; Q345-Y347 VanDerWaalsContact C-N 3.3Å; Q345-Y347 PolarHBondContact O-N 3.3Å; Y347-K350 PolarHBondContact O-N 3.26Å; Y347-H351 WeakPolarHBondContact O-CB 3.43Å; Y347-H351 PolarHBondContact O-N 3.28Å
348L90.3Very high79.9Confident13 Ų1389.6 Ų89.67%0.06845%0.447CS..Hα-helixtrans-60-48.1170.9175.856.6000110.7E334 C335 F342 R344 Q345 K350 H351 L352E334-L348 WeakPolarHBondContact O-CD2 3.39Å; C335-L348 HydrophobicContact CB-CD1 3.58Å; F342-L348 HydrophobicContact CB-CB 4.31Å; F342-L348 HydrophobicContact CD2-CB 3.93Å; F342-L348 HydrophobicContact CD2-CD1 3.9Å; F342-L348 HydrophobicContact CD2-CG 4.48Å; F342-L348 HydrophobicContact CE2-CD1 3.98Å; F342-L348 HydrophobicContact CG-CB 4.27Å; R344-L348 PolarHBondContact O-N 2.85Å; Q345-L348 PolarHBondContact O-N 2.98Å; L348-K350 VanDerWaalsContact C-N 3.35Å; L348-K350 PolarHBondContact O-N 3.1Å; L348-H351 CarbonylContact O-C 3.55Å; L348-H351 WeakPolarHBondContact O-CA 3.22Å; L348-H351 WeakPolarHBondContact O-CB 3.22Å; L348-H351 PolarHBondContact O-N 3.21Å; L348-L352 HydrophobicContact CD1-CD1 4.23Å; L348-L352 HydrophobicContact CD1-CD2 4.24Å; L348-L352 HydrophobicContact CD1-CG 3.94Å; L348-L352 HydrophobicContact CG-CD1 4.08Å; L348-L352 HydrophobicContact CG-CG 4.27Å; L348-L352 WeakPolarHBondContact O-CG 3.39Å; L348-L352 PolarHBondContact O-N 3.05Å
349K86.3Confident78.5Confident144 Ų14490.8 Ų90.863%0.62646%0.46SS*.Hα-helixtrans-55.8-44.6176.1-73.7-174.6176.5-173.50112.9Q345 H351 L352 A353Q345-K349 WeakPolarHBondContact O-CG 3.31Å; Q345-K349 PolarHBondContact O-N 3.39Å; K349-H351 VanDerWaalsContact C-N 3.28Å; K349-H351 PolarHBondContact O-N 3.48Å; K349-L352 PolarHBondContact O-N 3.4Å; K349-A353 PolarHBondContact O-N 3.2Å; K349-A353 VanDerWaalsContact O-N 3.12Å
350K86.9Confident77.1Confident159 Ų15995.9 Ų95.969%0.69147%0.47SS*.Hα-helixtrans-65.3-29.9174.8-73.4-177.7179.6-171.30113.3A346 Y347 L348A346-K350 WeakPolarHBondContact O-CG 3.44Å; A346-K350 PolarHBondContact O-N 3.27Å; Y347-K350 PolarHBondContact O-N 3.26Å; L348-K350 VanDerWaalsContact C-N 3.35Å; L348-K350 PolarHBondContact O-N 3.1Å
351H83.8Confident75.3Confident32 Ų3294.1 Ų94.115%0.14848%0.477CS..Hα-helixtrans-76.3-36.817517645.5000112.6C335 C338 F342 Y347 L348 K349 A354 H355C335-H351 VanDerWaalsContact SG-CD2 3.53Å; C335-H351 PolarHBondContact SG-NE2 2.93Å; C338-H351 PolarHBondContact SG-NE2 2.75Å; F342-H351 HydrophobicContact CE1-CB 4.16Å; F342-H351 HydrophobicContact CE2-CB 4.04Å; F342-H351 AromaticContact CE2-CD2 3.45Å; F342-H351 VanDerWaalsContact CE2-CD2 3.45Å; F342-H351 WeakPolarHBondContact CE2-CD2 3.39Å; F342-H351 AromaticContact CE2-CG 3.91Å; F342-H351 HydrophobicContact CZ-CB 3.55Å; F342-H351 AromaticContact CZ-CD2 3.44Å; F342-H351 VanDerWaalsContact CZ-CD2 3.44Å; F342-H351 WeakPolarHBondContact CZ-CD2 3.42Å; F342-H351 AromaticContact CZ-CG 3.47Å; F342-H351 VanDerWaalsContact CZ-CG 3.47Å; Y347-H351 WeakPolarHBondContact O-CB 3.43Å; Y347-H351 PolarHBondContact O-N 3.28Å; L348-H351 CarbonylContact O-C 3.55Å; L348-H351 WeakPolarHBondContact O-CA 3.22Å; L348-H351 WeakPolarHBondContact O-CB 3.22Å; L348-H351 PolarHBondContact O-N 3.21Å; K349-H351 VanDerWaalsContact C-N 3.28Å; K349-H351 PolarHBondContact O-N 3.48Å; H351-A354 WeakPolarHBondContact O-CB 3.45Å; H351-A354 PolarHBondContact O-N 2.79Å; H351-A354 VanDerWaalsContact O-N 3.15Å; H351-H355 AromaticContact CE1-CD2 3.78Å; H351-H355 AromaticContact CE1-NE2 3.2Å; H351-H355 PolarHBondContact CE1-NE2 2.96Å; H351-H355 AromaticContact NE2-CD2 3.84Å; H351-H355 AromaticContact NE2-NE2 3.1Å; H351-H355 PolarHBondContact NE2-NE2 3.09Å; H351-H355 PolarHBondContact O-CD2 3.01Å
352L84.6Confident72.9Confident38 Ų3892.5 Ų92.520%0.19948%0.483CS..Hα-helixtrans-61.4-43.4173.2-67.6173.6000111.5Y337 L348 K349 A354 H355 E356Y337-L352 HydrophobicContact CD2-CD2 3.55Å; Y337-L352 HydrophobicContact CE2-CD2 3.78Å; L348-L352 HydrophobicContact CD1-CD1 4.23Å; L348-L352 HydrophobicContact CD1-CD2 4.24Å; L348-L352 HydrophobicContact CD1-CG 3.94Å; L348-L352 HydrophobicContact CG-CD1 4.08Å; L348-L352 HydrophobicContact CG-CG 4.27Å; L348-L352 WeakPolarHBondContact O-CG 3.39Å; L348-L352 PolarHBondContact O-N 3.05Å; K349-L352 PolarHBondContact O-N 3.4Å; L352-A354 PolarHBondContact O-N 3.22Å; L352-A354 VanDerWaalsContact O-N 3.09Å; L352-H355 WeakPolarHBondContact O-CA 3.43Å; L352-H355 WeakPolarHBondContact O-CB 3.48Å; L352-H355 PolarHBondContact O-N 2.9Å; L352-E356 PolarHBondContact O-N 3.22Å
353A82.6Confident71.1Confident33 Ų3396.1 Ų96.127%0.27351%0.511SS..Hα-helixtrans-57-25.917400000114K349 E356 M357K349-A353 PolarHBondContact O-N 3.2Å; K349-A353 VanDerWaalsContact O-N 3.12Å; A353-E356 WeakPolarHBondContact CA-OE2 3.39Å; A353-E356 PolarHBondContact O-N 2.93Å; A353-M357 WeakPolarHBondContact O-CB 3.5Å; A353-M357 VanDerWaalsContact O-CG 3.3Å; A353-M357 WeakPolarHBondContact O-CG 3.49Å; A353-M357 PolarHBondContact O-N 3.16Å
354A78.2Confident68.7Low49 Ų4994 Ų9441%0.40552%0.517SS..Hα-helixtrans-76.2-27.7174.600000113.1H351 L352 T358H351-A354 WeakPolarHBondContact O-CB 3.45Å; H351-A354 PolarHBondContact O-N 2.79Å; H351-A354 VanDerWaalsContact O-N 3.15Å; L352-A354 PolarHBondContact O-N 3.22Å; L352-A354 VanDerWaalsContact O-N 3.09Å; A354-T358 PolarHBondContact O-N 2.96Å; A354-T358 PolarHBondContact O-OG1 2.89Å
355H74.1Confident66.5Low60 Ų6093.1 Ų93.128%0.27853%0.531SS..Hα-helixtrans-71.5-43.2168-66-87.7000110.2H351 L352 T358 A359H351-H355 AromaticContact CE1-CD2 3.78Å; H351-H355 AromaticContact CE1-NE2 3.2Å; H351-H355 PolarHBondContact CE1-NE2 2.96Å; H351-H355 AromaticContact NE2-CD2 3.84Å; H351-H355 AromaticContact NE2-NE2 3.1Å; H351-H355 PolarHBondContact NE2-NE2 3.09Å; H351-H355 PolarHBondContact O-CD2 3.01Å; L352-H355 WeakPolarHBondContact O-CA 3.43Å; L352-H355 WeakPolarHBondContact O-CB 3.48Å; L352-H355 PolarHBondContact O-N 2.9Å; H355-T358 CarbonylContact O-C 3.39Å; H355-T358 WeakPolarHBondContact O-CA 3.47Å; H355-T358 WeakPolarHBondContact O-CB 3.15Å; H355-T358 PolarHBondContact O-N 3.2Å; H355-A359 PolarHBondContact O-N 2.91Å
356E66.8Low64Low111 Ų11194.8 Ų94.852%0.51955%0.552SS.*Hα-helixtrans-60.1-46.8177.5-66.7160.6-167.200112.1L352 A353 T358 A359 H360L352-E356 PolarHBondContact O-N 3.22Å; A353-E356 WeakPolarHBondContact CA-OE2 3.39Å; A353-E356 PolarHBondContact O-N 2.93Å; E356-T358 PolarHBondContact O-N 3.04Å; E356-A359 PolarHBondContact O-N 3.47Å; E356-A359 VanDerWaalsContact O-N 3.09Å; E356-H360 PolarHBondContact O-CD2 3.1Å; E356-H360 VanDerWaalsContact O-CD2 3.22Å; E356-H360 PolarHBondContact O-N 3.3Å
357M54.2Low61.8Low150 Ų15097.4 Ų97.474%0.73957%0.566SS**Hα-helixtrans-62.2-24.2174-74.4178.8175.700113.5A353A353-M357 WeakPolarHBondContact O-CB 3.5Å; A353-M357 VanDerWaalsContact O-CG 3.3Å; A353-M357 WeakPolarHBondContact O-CG 3.49Å; A353-M357 PolarHBondContact O-N 3.16Å
358T54.3Low59.3Low108 Ų108102.4 Ų102.466%0.66359%0.586SS**Hα-helixtrans-83.4-31.3174.8-520000111.6A354 H355 E356A354-T358 PolarHBondContact O-N 2.96Å; A354-T358 PolarHBondContact O-OG1 2.89Å; H355-T358 CarbonylContact O-C 3.39Å; H355-T358 WeakPolarHBondContact O-CA 3.47Å; H355-T358 WeakPolarHBondContact O-CB 3.15Å; H355-T358 PolarHBondContact O-N 3.2Å; E356-T358 PolarHBondContact O-N 3.04Å
359A52Low56.7Low79 Ų79106.7 Ų106.765%0.65362%0.617SS**Hα-helixtrans-75.6-28.5175.900000113.3H355 E356H355-A359 PolarHBondContact O-N 2.91Å; E356-A359 PolarHBondContact O-N 3.47Å; E356-A359 VanDerWaalsContact O-N 3.09Å
360H45.2Very low54.5Low159 Ų159109 Ų10974%0.73663%0.63SS**THydrogen-bonded Turntrans-91.311.3177.5-70-63000114.4E356 S362E356-H360 PolarHBondContact O-CD2 3.1Å; E356-H360 VanDerWaalsContact O-CD2 3.22Å; E356-H360 PolarHBondContact O-N 3.3Å; H360-S362 PolarHBondContact O-N 3.28Å
361A41.8Very low52.2Low81 Ų81105.8 Ų105.867%0.66963%0.633SS**  trans-79.456.8177.600000113.2
362S33.5Very low50Low101 Ų101116.6 Ų116.671%0.70667%0.672SS**SBendtrans-114.1152168.2-830000110.2H360H360-S362 PolarHBondContact O-N 3.28Å
363P47Very low47.6Very low123 Ų123121.6 Ų121.680%0.79970%0.7SS**  trans-69.3149.3-162.225.9-35000114.5
364T35.6Very low45.6Very low127 Ų127125.2 Ų125.278%0.77972%0.723SS**  trans-63.7135.7174.649.40000111.8S366T364-S366 PolarHBondContact O-N 2.92Å; T364-S366 VanDerWaalsContact O-N 3.1Å
365P39.8Very low43.4Very low132 Ų132126.5 Ų126.586%0.85774%0.741SS**  trans-71.1106.1173.429.1-33.1000110.5
366S32.2Very low41.7Very low116 Ų116128.2 Ų128.281%0.81176%0.759SS**  trans-82.1128.5164.3-169.90000108.9T364 Y368T364-S366 PolarHBondContact O-N 2.92Å; T364-S366 VanDerWaalsContact O-N 3.1Å; S366-Y368 PolarHBondContact O-N 3.08Å; S366-Y368 VanDerWaalsContact O-N 3.16Å
367S42.6Very low40.5Very low119 Ų119130.2 Ų130.283%0.83278%0.779SS**  trans-87.381.9-167.4580000113.5
368Y34.8Very low40.1Very low216 Ų216130.7 Ų130.785%0.84778%0.779SS**  trans-157.1163.6156.1-157.8-112.6000112.8S366S366-Y368 PolarHBondContact O-N 3.08Å; S366-Y368 VanDerWaalsContact O-N 3.16Å
369S35.1Very low39.7Very low103 Ų103130.4 Ų130.472%0.7278%0.782SS**  trans69.5133.1179.3-59.80000116.8
370Q39.7Very low40.1Very low192 Ų192130.3 Ų130.390%0.89779%0.788SS**  trans-102.9155.8-175.4-69.2173.1-3800112.8
371A39.4Very low40.8Very low92 Ų92129 Ų12976%0.7678%0.782SS**  trans43.4118.8147.100000120.5
372R36.7Very low41.8Very low259 Ų259128.7 Ų128.798%0.97777%0.772SS**  -136.6176.5113.4-68.4-148.992.5155.86109.6
373D34.3Very low43.7Very low144 Ų144126.4 Ų126.477%0.7775%0.75SS**  trans-108.2159-154.8-174.36.8000113.3
374S39.4Very low45.1Very low109 Ų109124.7 Ų124.776%0.76273%0.733SS**  trans63.9119.9156.5-740000120
375G33.7Very low47.1Very low76 Ų76118.8 Ų118.878%0.78470%0.697SS**  trans166.165.5169.300000118
376S38Very low48.6Very low95 Ų95118.3 Ų118.366%0.66468%0.683SS**  trans37.292159.8-155.80000118.4Q378S376-Q378 PolarHBondContact O-N 3.33Å
377V41.3Very low50.5Low153 Ų153117.6 Ų117.693%0.92767%0.67SS**  trans-74.291.8166.7-1790000109.6
378Q45.3Very low52Low161 Ų161115.2 Ų115.275%0.75265%0.652SS**  trans-82.4135.7168.6-69-172.11.900110.8S376S376-Q378 PolarHBondContact O-N 3.33Å
379S47.4Very low53.6Low102 Ų102107.1 Ų107.171%0.71364%0.635SS**  trans-54.7151.2-176.844.60000113Q381S379-Q381 PolarHBondContact O-N 3.22Å
380G59.1Low55.1Low76 Ų76103.9 Ų103.978%0.78461%0.614SS**  trans-54.795.6-175.900000113.6V382G380-V382 PolarHBondContact O-N 2.93Å
381Q60.7Low56.5Low131 Ų131103.9 Ų103.961%0.61261%0.605SS**  trans-71.6115.4-174.1-166.876.5-46.900110.2S379 F383S379-Q381 PolarHBondContact O-N 3.22Å; Q381-F383 HydrophobicContact CB-CE1 4.36Å; Q381-F383 HydrophobicContact CB-CE2 4.1Å; Q381-F383 HydrophobicContact CB-CZ 3.77Å; Q381-F383 HydrophobicContact CG-CD1 4.42Å; Q381-F383 HydrophobicContact CG-CE1 3.68Å; Q381-F383 HydrophobicContact CG-CE2 4.28Å; Q381-F383 HydrophobicContact CG-CZ 3.6Å; Q381-F383 VanDerWaalsContact O-CD2 3.29Å; Q381-F383 WeakPolarHBondContact O-CD2 3.43Å; Q381-F383 WeakPolarHBondContact O-CE2 3.04Å
382V62.4Low58.1Low75 Ų75101.1 Ų101.146%0.45558%0.576SS.*  trans-91.7116-179.8-179.80000109.8G380 R391G380-V382 PolarHBondContact O-N 2.93Å; V382-R391 HydrophobicContact CG1-CB 3.62Å; V382-R391 HydrophobicContact CG1-CG 3.7Å
383F73.8Confident59.4Low54 Ų5494 Ų9424%0.23756%0.564CS.*EExtended strand (participates in β ladder)trans-88.9115-175.3-59.8-77.7000110.9Q381 F392 V395 R398Q381-F383 HydrophobicContact CB-CE1 4.36Å; Q381-F383 HydrophobicContact CB-CE2 4.1Å; Q381-F383 HydrophobicContact CB-CZ 3.77Å; Q381-F383 HydrophobicContact CG-CD1 4.42Å; Q381-F383 HydrophobicContact CG-CE1 3.68Å; Q381-F383 HydrophobicContact CG-CE2 4.28Å; Q381-F383 HydrophobicContact CG-CZ 3.6Å; Q381-F383 VanDerWaalsContact O-CD2 3.29Å; Q381-F383 WeakPolarHBondContact O-CD2 3.43Å; Q381-F383 WeakPolarHBondContact O-CE2 3.04Å; F383-F392 PolarHBondContact N-O 2.95Å; F383-F392 PolarHBondContact O-N 3.16Å; F383-V395 HydrophobicContact CD1-CG2 3.48Å; F383-V395 VanDerWaalsContact CD1-CG2 3.48Å; F383-V395 HydrophobicContact CD2-CG2 4.14Å; F383-V395 HydrophobicContact CE1-CG2 3.39Å; F383-V395 HydrophobicContact CE2-CG2 4.06Å; F383-V395 HydrophobicContact CG-CG2 3.86Å; F383-V395 HydrophobicContact CZ-CG2 3.69Å; F383-R398 HydrophobicContact CB-CB 4.43Å
384L75.1Confident61.3Low87 Ų8789 Ų8946%0.45554%0.54SS..EExtended strand (participates in β ladder)trans-86.6134.1179.7-68.9164.4000111.5H386 G389 A390 R391 R398L384-H386 PolarHBondContact O-CE1 3.07Å; L384-H386 PolarHBondContact O-ND1 2.74Å; L384-G389 VanDerWaalsContact CD2-O 3.31Å; L384-G389 WeakPolarHBondContact CD2-O 3.33Å; L384-A390 CarbonylContact C-O 3.59Å; L384-A390 WeakPolarHBondContact CA-O 3.21Å; L384-R391 HydrophobicContact CD2-CG 3.46Å; L384-R391 VanDerWaalsContact CD2-CG 3.46Å; L384-R398 WeakPolarHBondContact O-CD 3.34Å
385C79.1Confident63Low2 Ų286.7 Ų86.71%0.01452%0.521CS..  trans-74.8125.9164.2-178.10000110.2L387 C388 G389 A390 F392 R398 H401C385-L387 PolarHBondContact O-N 2.68Å; C385-C388 VanDerWaalsContact SG-SG 3.66Å; C385-G389 VanDerWaalsContact O-CA 3.32Å; C385-G389 WeakPolarHBondContact O-CA 3.43Å; C385-G389 PolarHBondContact O-N 2.8Å; C385-A390 HydrophobicContact CB-CB 4.46Å; C385-A390 PolarHBondContact N-O 3.01Å; C385-F392 HydrophobicContact CB-CE2 3.92Å; C385-R398 HydrophobicContact CB-CG 4.26Å; C385-H401 VanDerWaalsContact SG-CD2 3.57Å
386H70.9Confident64.9Low123 Ų12388.5 Ų88.557%0.56951%0.51SS*.THydrogen-bonded Turntrans-72.1-18.9-173.5-21.5-55.7000112.8L384L384-H386 PolarHBondContact O-CE1 3.07Å; L384-H386 PolarHBondContact O-ND1 2.74Å
387L72.3Confident66.4Low101 Ų10187.9 Ų87.953%0.52950%0.498SS..THydrogen-bonded Turntrans-97-9.2-174-56.8174.7000113.6C385 H405C385-L387 PolarHBondContact O-N 2.68Å; L387-H405 HydrophobicContact CD1-CB 3.52Å
388C73.1Confident68.1Low68 Ų6882.5 Ų82.546%0.45946%0.461SS..THydrogen-bonded Turntrans-153.7-0.7-178.867.40000115.5C385 A390 H401 H405C385-C388 VanDerWaalsContact SG-SG 3.66Å; C388-A390 PolarHBondContact O-N 2.79Å; C388-A390 VanDerWaalsContact SG-CB 3.51Å; C388-H401 PolarHBondContact SG-NE2 3.09Å; C388-H405 PolarHBondContact SG-NE2 3.42Å
389G69.3Low69.5Low47 Ų4777 Ų7749%0.48544%0.436SS..  trans71.90.5-178.500000115.9L384 C385L384-G389 VanDerWaalsContact CD2-O 3.31Å; L384-G389 WeakPolarHBondContact CD2-O 3.33Å; C385-G389 VanDerWaalsContact O-CA 3.32Å; C385-G389 WeakPolarHBondContact O-CA 3.43Å; C385-G389 PolarHBondContact O-N 2.8Å
390A66.8Low70.6Confident34 Ų3478.6 Ų78.628%0.28143%0.431SS..  trans-61.5138.4-178.200000112.2L384 C385 C388 F392L384-A390 CarbonylContact C-O 3.59Å; L384-A390 WeakPolarHBondContact CA-O 3.21Å; C385-A390 HydrophobicContact CB-CB 4.46Å; C385-A390 PolarHBondContact N-O 3.01Å; C388-A390 PolarHBondContact O-N 2.79Å; C388-A390 VanDerWaalsContact SG-CB 3.51Å; A390-F392 HydrophobicContact CB-CE2 3.59Å; A390-F392 HydrophobicContact CB-CZ 3.82Å; A390-F392 WeakPolarHBondContact O-CD2 3.35Å; A390-F392 WeakPolarHBondContact O-CE2 3.23Å
391R68.1Low71.3Confident192 Ų19276.8 Ų76.873%0.72540%0.402SS*.EExtended strand (participates in β ladder)trans-97.6127.8-174.4-74.6177.5177.1-144.9-2111.2V382 L384V382-R391 HydrophobicContact CG1-CB 3.62Å; V382-R391 HydrophobicContact CG1-CG 3.7Å; L384-R391 HydrophobicContact CD2-CG 3.46Å; L384-R391 VanDerWaalsContact CD2-CG 3.46Å
392F72.8Confident72.1Confident34 Ų3475.3 Ų75.315%0.14939%0.391CS..EExtended strand (participates in β ladder)trans-124.8144.5-179.9-61.3-82.5000111.8F383 C385 A390 S394 I397 R398 H401F383-F392 PolarHBondContact N-O 2.95Å; F383-F392 PolarHBondContact O-N 3.16Å; C385-F392 HydrophobicContact CB-CE2 3.92Å; A390-F392 HydrophobicContact CB-CE2 3.59Å; A390-F392 HydrophobicContact CB-CZ 3.82Å; A390-F392 WeakPolarHBondContact O-CD2 3.35Å; A390-F392 WeakPolarHBondContact O-CE2 3.23Å; F392-S394 VanDerWaalsContact C-N 3.25Å; F392-S394 PolarHBondContact O-N 3.36Å; F392-I397 HydrophobicContact CD1-CB 4.29Å; F392-I397 HydrophobicContact CD1-CG2 3.65Å; F392-I397 HydrophobicContact CE1-CG2 4.25Å; F392-R398 HydrophobicContact CB-CB 4.03Å; F392-R398 HydrophobicContact CD2-CB 3.72Å; F392-R398 HydrophobicContact CD2-CG 3.99Å; F392-R398 HydrophobicContact CG-CB 3.98Å; F392-H401 HydrophobicContact CE1-CB 4.08Å; F392-H401 HydrophobicContact CE2-CB 4.31Å; F392-H401 AromaticContact CE2-CD2 3.36Å; F392-H401 WeakPolarHBondContact CE2-CD2 3.39Å; F392-H401 AromaticContact CE2-CG 3.93Å; F392-H401 HydrophobicContact CZ-CB 3.72Å; F392-H401 AromaticContact CZ-CD2 3.26Å; F392-H401 WeakPolarHBondContact CZ-CD2 3.42Å; F392-H401 AromaticContact CZ-CG 3.38Å; F392-H401 AromaticContact CZ-NE2 3.87Å
393P64.8Low72.9Confident109 Ų10975.9 Ų75.971%0.70839%0.394SS*.SBendtrans-79.2-5.2177.433.2-35.5000113.4I397P393-I397 HydrophobicContact CG-CD1 4.17Å
394S74.1Confident72.7Confident41 Ų4179.7 Ų79.729%0.28741%0.407SS..SBendtrans-148.1145.2176.1170.90000111.5F392 E396 I397 R398F392-S394 VanDerWaalsContact C-N 3.25Å; F392-S394 PolarHBondContact O-N 3.36Å; S394-E396 VanDerWaalsContact C-N 3.27Å; S394-E396 PolarHBondContact O-N 2.94Å; S394-E396 PolarHBondContact OG-N 3.23Å; S394-I397 PolarHBondContact O-N 3.35Å; S394-R398 PolarHBondContact O-N 2.84Å; S394-R398 VanDerWaalsContact O-N 3.14Å
395V75.3Confident72.6Confident59 Ų5976.5 Ų76.536%0.35839%0.39SS..Hα-helixtrans-47.7-48168.7166.80000111.5F383 I397 R398 D399F383-V395 HydrophobicContact CD1-CG2 3.48Å; F383-V395 VanDerWaalsContact CD1-CG2 3.48Å; F383-V395 HydrophobicContact CD2-CG2 4.14Å; F383-V395 HydrophobicContact CE1-CG2 3.39Å; F383-V395 HydrophobicContact CE2-CG2 4.06Å; F383-V395 HydrophobicContact CG-CG2 3.86Å; F383-V395 HydrophobicContact CZ-CG2 3.69Å; V395-I397 VanDerWaalsContact C-N 3.31Å; V395-I397 PolarHBondContact O-N 3.4Å; V395-R398 WeakPolarHBondContact O-CB 3.31Å; V395-R398 PolarHBondContact O-N 3.32Å; V395-D399 VanDerWaalsContact CG1-OD2 3.29Å; V395-D399 WeakPolarHBondContact CG1-OD2 3.45Å; V395-D399 WeakPolarHBondContact O-CB 3.24Å; V395-D399 VanDerWaalsContact O-CG 3.27Å; V395-D399 PolarHBondContact O-N 2.8Å
396E73.9Confident72.1Confident115 Ų11579 Ų7954%0.53741%0.411SS..Hα-helixtrans-64-36.7-174.3-164.5-159142.600112.2S394 D399 K400S394-E396 VanDerWaalsContact C-N 3.27Å; S394-E396 PolarHBondContact O-N 2.94Å; S394-E396 PolarHBondContact OG-N 3.23Å; E396-D399 PolarHBondContact O-N 3.15Å; E396-K400 WeakPolarHBondContact O-CB 3.4Å; E396-K400 WeakPolarHBondContact O-CG 3.42Å; E396-K400 PolarHBondContact O-N 3.34Å; E396-K400 WeakPolarHBondContact OE1-CE 3.41Å; E396-K400 IonicContact OE1-NZ 2.6Å; E396-K400 PolarHBondContact OE1-NZ 3.37Å
397I68.3Low71.6Confident82 Ų8278.5 Ų78.542%0.42141%0.41SS..Hα-helixtrans-73.9-40.6178.9-53.4174.2000110F392 P393 S394 V395 D399 H401F392-I397 HydrophobicContact CD1-CB 4.29Å; F392-I397 HydrophobicContact CD1-CG2 3.65Å; F392-I397 HydrophobicContact CE1-CG2 4.25Å; P393-I397 HydrophobicContact CG-CD1 4.17Å; S394-I397 PolarHBondContact O-N 3.35Å; V395-I397 VanDerWaalsContact C-N 3.31Å; V395-I397 PolarHBondContact O-N 3.4Å; I397-D399 VanDerWaalsContact C-N 3.31Å; I397-D399 PolarHBondContact O-N 2.99Å; I397-H401 WeakPolarHBondContact O-CB 3.45Å; I397-H401 PolarHBondContact O-N 2.93Å
398R77.4Confident70.7Confident39 Ų3979.3 Ų79.315%0.14741%0.406CS..Hα-helixtrans-58.1-44.3170.9179-156.364.2-162.2-0.2110.9F383 L384 C385 F392 S394 V395 H401 R402F383-R398 HydrophobicContact CB-CB 4.43Å; L384-R398 WeakPolarHBondContact O-CD 3.34Å; C385-R398 HydrophobicContact CB-CG 4.26Å; F392-R398 HydrophobicContact CB-CB 4.03Å; F392-R398 HydrophobicContact CD2-CB 3.72Å; F392-R398 HydrophobicContact CD2-CG 3.99Å; F392-R398 HydrophobicContact CG-CB 3.98Å; S394-R398 PolarHBondContact O-N 2.84Å; S394-R398 VanDerWaalsContact O-N 3.14Å; V395-R398 WeakPolarHBondContact O-CB 3.31Å; V395-R398 PolarHBondContact O-N 3.32Å; R398-H401 CarbonylContact O-C 3.59Å; R398-H401 WeakPolarHBondContact O-CA 3.44Å; R398-H401 WeakPolarHBondContact O-CB 3.44Å; R398-H401 PolarHBondContact O-N 3.49Å; R398-H401 VanDerWaalsContact O-N 3.16Å; R398-R402 PolarHBondContact O-N 2.91Å
399D75.2Confident69.7Low45 Ų4580.1 Ų80.124%0.24141%0.406CS..Hα-helixtrans-75.8-36-173.5-67.1-24.2000112.2V395 E396 I397 H401 R402 V403V395-D399 VanDerWaalsContact CG1-OD2 3.29Å; V395-D399 WeakPolarHBondContact CG1-OD2 3.45Å; V395-D399 WeakPolarHBondContact O-CB 3.24Å; V395-D399 VanDerWaalsContact O-CG 3.27Å; V395-D399 PolarHBondContact O-N 2.8Å; E396-D399 PolarHBondContact O-N 3.15Å; I397-D399 VanDerWaalsContact C-N 3.31Å; I397-D399 PolarHBondContact O-N 2.99Å; D399-H401 PolarHBondContact O-N 3.07Å; D399-R402 WeakPolarHBondContact O-CB 3.32Å; D399-R402 PolarHBondContact O-N 2.99Å; D399-R402 VanDerWaalsContact OD1-CD 3.29Å; D399-R402 WeakPolarHBondContact OD1-CD 3.3Å; D399-R402 IonicContact OD1-CZ 3.72Å; D399-R402 IonicContact OD1-NE 3.91Å; D399-R402 IonicContact OD1-NH1 2.76Å; D399-R402 PolarHBondContact OD1-NH1 3.14Å; D399-V403 PolarHBondContact O-N 3.3Å; D399-V403 VanDerWaalsContact O-N 3.12Å
400K69.5Low68.9Low136 Ų13684.5 Ų84.559%0.59141%0.414SS*.Hα-helixtrans-58.1-36.6164.5-75.6169.2173.6174.30112.3E396E396-K400 WeakPolarHBondContact O-CB 3.4Å; E396-K400 WeakPolarHBondContact O-CG 3.42Å; E396-K400 PolarHBondContact O-N 3.34Å; E396-K400 WeakPolarHBondContact OE1-CE 3.41Å; E396-K400 IonicContact OE1-NZ 2.6Å; E396-K400 PolarHBondContact OE1-NZ 3.37Å
401H75.7Confident68.1Low39 Ų3988 Ų8818%0.18143%0.427CS..Hα-helixtrans-74.5-25.6173.1166.670.8000113.8C385 C388 F392 I397 R398 D399 W404 H405C385-H401 VanDerWaalsContact SG-CD2 3.57Å; C388-H401 PolarHBondContact SG-NE2 3.09Å; F392-H401 HydrophobicContact CE1-CB 4.08Å; F392-H401 HydrophobicContact CE2-CB 4.31Å; F392-H401 AromaticContact CE2-CD2 3.36Å; F392-H401 WeakPolarHBondContact CE2-CD2 3.39Å; F392-H401 AromaticContact CE2-CG 3.93Å; F392-H401 HydrophobicContact CZ-CB 3.72Å; F392-H401 AromaticContact CZ-CD2 3.26Å; F392-H401 WeakPolarHBondContact CZ-CD2 3.42Å; F392-H401 AromaticContact CZ-CG 3.38Å; F392-H401 AromaticContact CZ-NE2 3.87Å; I397-H401 WeakPolarHBondContact O-CB 3.45Å; I397-H401 PolarHBondContact O-N 2.93Å; R398-H401 CarbonylContact O-C 3.59Å; R398-H401 WeakPolarHBondContact O-CA 3.44Å; R398-H401 WeakPolarHBondContact O-CB 3.44Å; R398-H401 PolarHBondContact O-N 3.49Å; R398-H401 VanDerWaalsContact O-N 3.16Å; D399-H401 PolarHBondContact O-N 3.07Å; H401-W404 WeakPolarHBondContact O-CB 3.48Å; H401-W404 PolarHBondContact O-N 2.86Å; H401-H405 AromaticContact CE1-CD2 3.87Å; H401-H405 AromaticContact CE1-NE2 3.75Å; H401-H405 AromaticContact NE2-CD2 3.76Å; H401-H405 AromaticContact NE2-NE2 3.59Å; H401-H405 PolarHBondContact O-N 2.9Å
402R75.8Confident67.1Low99 Ų9982.7 Ų82.737%0.37441%0.413SS..Hα-helixtrans-70.1-32.5170.7-75167.460.6-145.51.4112.4R398 D399 W404 H405 A406R398-R402 PolarHBondContact O-N 2.91Å; D399-R402 WeakPolarHBondContact O-CB 3.32Å; D399-R402 PolarHBondContact O-N 2.99Å; D399-R402 VanDerWaalsContact OD1-CD 3.29Å; D399-R402 WeakPolarHBondContact OD1-CD 3.3Å; D399-R402 IonicContact OD1-CZ 3.72Å; D399-R402 IonicContact OD1-NE 3.91Å; D399-R402 IonicContact OD1-NH1 2.76Å; D399-R402 PolarHBondContact OD1-NH1 3.14Å; R402-W404 VanDerWaalsContact C-N 3.25Å; R402-W404 PolarHBondContact O-N 3.13Å; R402-H405 WeakPolarHBondContact O-CB 3.42Å; R402-H405 PolarHBondContact O-N 3.34Å; R402-A406 PolarHBondContact O-N 2.84Å
403V79.3Confident66Low88 Ų8884 Ų8453%0.53343%0.429SS..Hα-helixtrans-63.5-32.7170.7179.50000111.5D399 H405 A406 M407D399-V403 PolarHBondContact O-N 3.3Å; D399-V403 VanDerWaalsContact O-N 3.12Å; V403-H405 VanDerWaalsContact C-N 3.27Å; V403-H405 PolarHBondContact O-N 2.99Å; V403-A406 PolarHBondContact O-N 3.44Å; V403-M407 PolarHBondContact O-N 2.81Å; V403-M407 VanDerWaalsContact O-N 3.15Å
404W71Confident65.1Low133 Ų13385.7 Ų85.750%0.50443%0.428SS..Hα-helixtrans-65.5-28.3171.9-176.887000113.1H401 R402 R408H401-W404 WeakPolarHBondContact O-CB 3.48Å; H401-W404 PolarHBondContact O-N 2.86Å; R402-W404 VanDerWaalsContact C-N 3.25Å; R402-W404 PolarHBondContact O-N 3.13Å; W404-R408 WeakPolarHBondContact O-CB 3.35Å; W404-R408 PolarHBondContact O-N 3.13Å; W404-R408 VanDerWaalsContact O-N 3.12Å
405H72.1Confident63.6Low21 Ų2188.5 Ų88.510%0.09744%0.443CS..Hα-helixtrans-70.6-39.8170.1-85.9-90.9000112.2L387 C388 H401 R402 V403 M407 R408 D409L387-H405 HydrophobicContact CD1-CB 3.52Å; C388-H405 PolarHBondContact SG-NE2 3.42Å; H401-H405 AromaticContact CE1-CD2 3.87Å; H401-H405 AromaticContact CE1-NE2 3.75Å; H401-H405 AromaticContact NE2-CD2 3.76Å; H401-H405 AromaticContact NE2-NE2 3.59Å; H401-H405 PolarHBondContact O-N 2.9Å; R402-H405 WeakPolarHBondContact O-CB 3.42Å; R402-H405 PolarHBondContact O-N 3.34Å; V403-H405 VanDerWaalsContact C-N 3.27Å; V403-H405 PolarHBondContact O-N 2.99Å; H405-M407 PolarHBondContact O-N 3.3Å; H405-R408 CarbonylContact O-C 3.59Å; H405-R408 WeakPolarHBondContact O-CA 3.04Å; H405-R408 VanDerWaalsContact O-CB 3.31Å; H405-R408 WeakPolarHBondContact O-CB 3.42Å; H405-R408 PolarHBondContact O-N 3.35Å; H405-D409 PolarHBondContact O-N 3.2Å
406A69.7Low61.9Low55 Ų5593 Ų9346%0.45546%0.464SS..Hα-helixtrans-58.8-4817500000111.9R402 V403 R408 D409 E410R402-A406 PolarHBondContact O-N 2.84Å; V403-A406 PolarHBondContact O-N 3.44Å; A406-R408 PolarHBondContact O-N 2.87Å; A406-D409 PolarHBondContact O-N 2.97Å; A406-E410 PolarHBondContact O-N 3.21Å; A406-E410 VanDerWaalsContact O-N 3.11Å
407M59.5Low60.2Low111 Ų11190.4 Ų90.455%0.54747%0.469SS..Hα-helixtrans-65.3-18.7174-69.4-18016600114V403 H405 L411V403-M407 PolarHBondContact O-N 2.81Å; V403-M407 VanDerWaalsContact O-N 3.15Å; H405-M407 PolarHBondContact O-N 3.3Å; M407-L411 WeakPolarHBondContact O-CD1 3.46Å
408R52.4Low58.7Low118 Ų11890.1 Ų90.145%0.44549%0.486SS..Hα-helixtrans-81.4-42.9173.4-177.473.3111.4135.917.5110.8W404 H405 A406 L411 L412W404-R408 WeakPolarHBondContact O-CB 3.35Å; W404-R408 PolarHBondContact O-N 3.13Å; W404-R408 VanDerWaalsContact O-N 3.12Å; H405-R408 CarbonylContact O-C 3.59Å; H405-R408 WeakPolarHBondContact O-CA 3.04Å; H405-R408 VanDerWaalsContact O-CB 3.31Å; H405-R408 WeakPolarHBondContact O-CB 3.42Å; H405-R408 PolarHBondContact O-N 3.35Å; A406-R408 PolarHBondContact O-N 2.87Å; R408-L411 PolarHBondContact O-N 3.36Å; R408-L412 HydrophobicContact CG-CD1 3.95Å; R408-L412 HydrophobicContact CG-CG 4.5Å; R408-L412 WeakPolarHBondContact O-CG 3.28Å; R408-L412 PolarHBondContact O-N 2.78Å
409D52.8Low56.8Low86 Ų8692.2 Ų92.246%0.4651%0.512SS..Hα-helixtrans-71.2-32.6-176.1-68.4-12.3000111.4H405 A406 L412 A413H405-D409 PolarHBondContact O-N 3.2Å; A406-D409 PolarHBondContact O-N 2.97Å; D409-L412 PolarHBondContact O-N 3.23Å; D409-A413 WeakPolarHBondContact O-CB 3.38Å; D409-A413 PolarHBondContact O-N 2.66Å
410E52.4Low54.9Low138 Ų13898.5 Ų98.565%0.64555%0.545SS*.Hα-helixtrans-61-48.9169.5-70.8179.8147.900111.8A406 L412 A413 E414A406-E410 PolarHBondContact O-N 3.21Å; A406-E410 VanDerWaalsContact O-N 3.11Å; E410-L412 PolarHBondContact O-N 3.34Å; E410-A413 WeakPolarHBondContact O-CB 3.47Å; E410-A413 PolarHBondContact O-N 3.41Å; E410-E414 PolarHBondContact O-N 3.3Å
411L49.6Very low53.1Low109 Ų10997 Ų9757%0.57156%0.557SS**Hα-helixtrans-66.7-20.7176.3-70.8169.6000113.6M407 R408M407-L411 WeakPolarHBondContact O-CD1 3.46Å; R408-L411 PolarHBondContact O-N 3.36Å
412L48.2Very low51.6Low80 Ų8099.8 Ų99.842%0.41959%0.587SS.*Hα-helixtrans-86.9-32.9173.1-71.6173.1000112R408 D409 E410 T415 L416R408-L412 HydrophobicContact CG-CD1 3.95Å; R408-L412 HydrophobicContact CG-CG 4.5Å; R408-L412 WeakPolarHBondContact O-CG 3.28Å; R408-L412 PolarHBondContact O-N 2.78Å; D409-L412 PolarHBondContact O-N 3.23Å; E410-L412 PolarHBondContact O-N 3.34Å; L412-T415 WeakPolarHBondContact CA-OG1 3.42Å; L412-T415 PolarHBondContact O-N 3.44Å; L412-T415 VanDerWaalsContact O-N 3.16Å; L412-T415 PolarHBondContact O-OG1 2.9Å; L412-L416 PolarHBondContact O-N 3.09Å
413A49.6Very low49.7Very low60 Ų60103.4 Ų103.450%0.49661%0.614SS.*Hα-helixtrans-63.1-42172.200000111.2D409 E410 T415 L416 G417D409-A413 WeakPolarHBondContact O-CB 3.38Å; D409-A413 PolarHBondContact O-N 2.66Å; E410-A413 WeakPolarHBondContact O-CB 3.47Å; E410-A413 PolarHBondContact O-N 3.41Å; A413-T415 PolarHBondContact O-N 3.38Å; A413-L416 PolarHBondContact O-N 2.92Å; A413-G417 PolarHBondContact O-N 3.31Å
414E44.8Very low47.8Very low146 Ų146102.2 Ų102.268%0.68262%0.619SS**Hα-helixtrans-56.5-36.5171.5-71.7-172.2140.200112.4E410 L416E410-E414 PolarHBondContact O-N 3.3Å; E414-L416 VanDerWaalsContact C-N 3.33Å; E414-L416 PolarHBondContact O-N 3.12Å
415T43.9Very low46Very low99 Ų99105.1 Ų105.161%0.60764%0.636SS**THydrogen-bonded Turntrans-79.6-6.5177.356.40000115.3L412 A413L412-T415 WeakPolarHBondContact CA-OG1 3.42Å; L412-T415 PolarHBondContact O-N 3.44Å; L412-T415 VanDerWaalsContact O-N 3.16Å; L412-T415 PolarHBondContact O-OG1 2.9Å; A413-T415 PolarHBondContact O-N 3.38Å
416L38.8Very low44.4Very low153 Ų153112 Ų11280%0.80167%0.668SS**THydrogen-bonded Turntrans-124-16-177.7-67.9176000114.4L412 A413 E414L412-L416 PolarHBondContact O-N 3.09Å; A413-L416 PolarHBondContact O-N 2.92Å; E414-L416 VanDerWaalsContact C-N 3.33Å; E414-L416 PolarHBondContact O-N 3.12Å
417G38Very low43Very low61 Ų61113.2 Ų113.263%0.62968%0.678SS**SBendtrans-86.7-0.6170.800000114.6A413 A419A413-G417 PolarHBondContact O-N 3.31Å; G417-A419 PolarHBondContact O-N 3.28Å
418G37.7Very low42Very low76 Ų76116.1 Ų116.178%0.78469%0.689SS**  trans-72.530.3-170.200000117.2
419A37.4Very low41.3Very low83 Ų83120 Ų12069%0.68670%0.704SS**SBendtrans-144.4138.2175.300000111.5G417G417-A419 PolarHBondContact O-N 3.28Å
420L34.4Very low40.4Very low178 Ų178122.7 Ų122.793%0.93271%0.714SS**SBendtrans72.763.6178-49.6-178000117.4
421A32.5Very low40.2Very low104 Ų104125.4 Ų125.486%0.8673%0.727SS**  trans-164121.913100000110.2
422A43.7Very low39.5Very low97 Ų97124.1 Ų124.180%0.80274%0.739SS**  trans-127.695.3168.400000108.6
423D36.8Very low38.9Very low175 Ų175128.7 Ų128.794%0.93677%0.765SS**  trans-158.6141152.9-97.4-41.3000106.6
424G38.7Very low38.1Very low63 Ų63129.3 Ų129.365%0.64978%0.776SS**  trans-112167-172.900000112.7
425F32.2Very low37.5Very low195 Ų195125.7 Ų125.786%0.85578%0.779SS**  trans-155.1126.9148.7-128.1-92.8000112.5
426H39.1Very low37.6Very low166 Ų166130.9 Ų130.977%0.76980%0.796SS**  trans38.7146.8157.6-83-100.7000124.2
427A39.6Very low37.9Very low80 Ų80134.4 Ų134.466%0.66180%0.798SS**  trans-104.3162.5169.600000111.8
428H38.5Very low38.3Very low171 Ų171139.3 Ų139.379%0.79281%0.805SS**  trans174134.1137.2-94.1-53.9000109.6
429R38.1Very low38.9Very low200 Ų200143.6 Ų143.676%0.75581%0.805SS**  77132.795.4-159.9179150.9128.219.2111.3
430E34.3Very low40Very low142 Ų142145.2 Ų145.266%0.66480%0.798SS**  -146.1169.957.1-78.1-85.946.400113.4
431E48.1Very low41.5Very low196 Ų196142.7 Ų142.792%0.91678%0.782SS**  trans-82.5142161.9-64.7-174.410700111
432G34.6Very low43.5Very low81 Ų81142.4 Ų142.484%0.83576%0.764SS**  trans-149.2122.7177.900000111.6
433N35.7Very low45.2Very low177 Ų177140.8 Ų140.895%0.94774%0.74SS**  trans-89.8153.1-171.5-176.128.6000113.1
434G33.3Very low47Very low72 Ų72136.8 Ų136.874%0.74272%0.721SS**  trans101.679.2159.500000116.5
435G32.1Very low48.9Very low71 Ų71134.4 Ų134.473%0.73270%0.695SS**  trans178.390.6170.100000113.9R437G435-R437 PolarHBondContact O-N 2.78Å
436E46.2Very low50.8Low208 Ų208134.2 Ų134.297%0.97269%0.694SS**  trans-72.183.3-177.2-65.3-172121.200112.9
437R44.2Very low52.3Low226 Ų226132.3 Ų132.385%0.85368%0.681SS**  trans-112118.8156.7-71-177.3176175.7-0.1108.1G435 Q439G435-R437 PolarHBondContact O-N 2.78Å; R437-Q439 PolarHBondContact O-N 3.1Å
438E48Very low53.6Low164 Ų164130.3 Ų130.377%0.76666%0.661SS**  trans-59.6101.3-176.8-171.8-17892.500110.3Q440E438-Q440 HydrophobicContact CG-CG 4.34Å; E438-Q440 PolarHBondContact O-N 3.39Å; E438-Q440 PolarHBondContact OE1-NE2 2.97Å
439Q50.1Low55.2Low166 Ų166128.4 Ų128.478%0.77666%0.664SS**  trans-71.891.2-179-63.7-178.117.100109.3R437 Q441R437-Q439 PolarHBondContact O-N 3.1Å; Q439-Q441 PolarHBondContact O-N 3.44Å
440Q60.1Low56.5Low118 Ų118120.8 Ų120.855%0.55164%0.642SS**  trans-72.276.9-179.9-68.8-176-2.100111E438 I442E438-Q440 HydrophobicContact CG-CG 4.34Å; E438-Q440 PolarHBondContact O-N 3.39Å; E438-Q440 PolarHBondContact OE1-NE2 2.97Å; Q440-I442 PolarHBondContact O-N 3.45Å
441Q65.9Low58.5Low125 Ų125117.8 Ų117.858%0.58463%0.633SS**  trans-51124.8177.2-68.3-179.9-5.500110.6Q439 F443Q439-Q441 PolarHBondContact O-N 3.44Å; Q441-F443 HydrophobicContact CB-CE2 3.74Å; Q441-F443 HydrophobicContact CB-CZ 3.85Å; Q441-F443 WeakPolarHBondContact O-CD2 3.49Å; Q441-F443 WeakPolarHBondContact O-CE2 3.09Å
442I75.1Confident60Low97 Ų97110.9 Ų110.950%0.49760%0.6SS.*  trans-90.8110.1-176.4-55.3-179.4000108.8Q440 T451 F453Q440-I442 PolarHBondContact O-N 3.45Å; I442-T451 HydrophobicContact CG2-CG2 4.47Å; I442-F453 HydrophobicContact CD1-CD1 4.49Å; I442-F453 HydrophobicContact CD1-CE1 3.97Å; I442-F453 HydrophobicContact CG1-CD1 4.01Å; I442-F453 HydrophobicContact CG1-CE1 3.97Å
443F78.8Confident62.3Low64 Ų64113.4 Ų113.428%0.28159%0.588SS.*EExtended strand (participates in β ladder)trans-91.3109.5-179.7-61.9-87.4000110.1Q441 F452 L458Q441-F443 HydrophobicContact CB-CE2 3.74Å; Q441-F443 HydrophobicContact CB-CZ 3.85Å; Q441-F443 WeakPolarHBondContact O-CD2 3.49Å; Q441-F443 WeakPolarHBondContact O-CE2 3.09Å; F443-F452 WeakPolarHBondContact CB-O 3.18Å; F443-F452 PolarHBondContact N-O 3.38Å; F443-F452 PolarHBondContact O-N 3.07Å; F443-L458 HydrophobicContact CB-CB 4Å; F443-L458 HydrophobicContact CB-CD2 3.77Å; F443-L458 HydrophobicContact CB-CG 4.48Å
444T75.2Confident64.2Low90 Ų90107.5 Ų107.555%0.55256%0.561SS**EExtended strand (participates in β ladder)trans-87.3145.7-179.457.80000111.5T451 L458T444-T451 HydrophobicContact CG2-CG2 3.86Å; T444-L458 VanDerWaalsContact O-CD2 3.27Å; T444-L458 WeakPolarHBondContact O-CD2 3.45Å
445C78.4Confident66.2Low13 Ų13106.6 Ų106.69%0.08854%0.543CS..  trans-83.3125.6175.5-173.20000111.7Y447 C448 S450 F452 L458 H461C445-Y447 PolarHBondContact O-N 3.28Å; C445-Y447 VanDerWaalsContact O-N 3.12Å; C445-C448 WeakPolarHBondContact CB-O 3.46Å; C445-S450 WeakPolarHBondContact CB-O 3.42Å; C445-S450 PolarHBondContact N-O 3.26Å; C445-F452 HydrophobicContact CB-CE2 4.48Å; C445-L458 HydrophobicContact CB-CD1 3.6Å; C445-H461 VanDerWaalsContact SG-CD2 3.55Å; C445-H461 PolarHBondContact SG-NE2 3.25Å
446K71.8Confident68.5Low192 Ų192106.7 Ų106.784%0.83553%0.531SS*.THydrogen-bonded Turntrans-70.3-2.8178.3-60.6-165.5176.1-167.10114.6
447Y69.6Low70Confident126 Ų12697.7 Ų97.749%0.49449%0.494SS..THydrogen-bonded Turntrans-125.8-6.3-172.7-55.2-69.5000114.4C445 H466C445-Y447 PolarHBondContact O-N 3.28Å; C445-Y447 VanDerWaalsContact O-N 3.12Å; Y447-H466 VanDerWaalsContact CB-CE1 3.43Å; Y447-H466 WeakPolarHBondContact CB-CE1 2.94Å; Y447-H466 WeakPolarHBondContact CB-ND1 3.32Å; Y447-H466 HydrophobicContact CD2-CB 4.39Å; Y447-H466 PolarHBondContact O-CE1 3.33Å; Y447-H466 VanDerWaalsContact O-CE1 3.31Å
448C68.6Low71.7Confident38 Ų3888.1 Ų88.126%0.25746%0.459SS..SBendtrans-165.4163.4171.170.80000109.9C445 S450 H461 H466C445-C448 WeakPolarHBondContact CB-O 3.46Å; C448-S450 PolarHBondContact O-N 2.67Å; C448-S450 PolarHBondContact SG-OG 3.47Å; C448-H461 PolarHBondContact SG-CE1 3.16Å; C448-H461 PolarHBondContact SG-NE2 2.92Å; C448-H466 PolarHBondContact SG-NE2 2.75Å; C448-H466 VanDerWaalsContact SG-NE2 3.39Å
449P70.8Confident73.2Confident130 Ų13083.6 Ų83.684%0.84444%0.443SS*.SBendtrans-76.540.1-174.333.4-38.3000114.3
450S65.8Low74.6Confident41 Ų4184.1 Ų84.129%0.28744%0.438SS..  trans-95.3129.2176.7-57.80000111C445 C448 F452C445-S450 WeakPolarHBondContact CB-O 3.42Å; C445-S450 PolarHBondContact N-O 3.26Å; C448-S450 PolarHBondContact O-N 2.67Å; C448-S450 PolarHBondContact SG-OG 3.47Å; S450-F452 VanDerWaalsContact CB-CE2 3.47Å
451T76.6Confident75.7Confident79 Ų7979.8 Ų79.849%0.48542%0.418SS..EExtended strand (participates in β ladder)trans-113147.4177.662.60000111.5I442 T444I442-T451 HydrophobicContact CG2-CG2 4.47Å; T444-T451 HydrophobicContact CG2-CG2 3.86Å
452F80.1Confident76.3Confident50 Ų5075.1 Ų75.122%0.21940%0.397CS..EExtended strand (participates in β ladder)trans-141.4126.7-173.9-58.2-87.4000111.6F443 C445 S450 S454 L458 H461F443-F452 WeakPolarHBondContact CB-O 3.18Å; F443-F452 PolarHBondContact N-O 3.38Å; F443-F452 PolarHBondContact O-N 3.07Å; C445-F452 HydrophobicContact CB-CE2 4.48Å; S450-F452 VanDerWaalsContact CB-CE2 3.47Å; F452-S454 PolarHBondContact O-N 3.13Å; F452-L458 HydrophobicContact CB-CB 4.15Å; F452-L458 HydrophobicContact CD2-CB 3.91Å; F452-L458 HydrophobicContact CD2-CD1 3.58Å; F452-L458 HydrophobicContact CD2-CG 4.36Å; F452-L458 HydrophobicContact CE2-CD1 3.84Å; F452-L458 HydrophobicContact CG-CB 4.21Å; F452-H461 HydrophobicContact CE1-CB 3.8Å; F452-H461 HydrophobicContact CE2-CB 3.77Å; F452-H461 AromaticContact CE2-CD2 3.37Å; F452-H461 WeakPolarHBondContact CE2-CD2 3.2Å; F452-H461 AromaticContact CE2-CG 3.53Å; F452-H461 HydrophobicContact CZ-CB 3.31Å; F452-H461 AromaticContact CZ-CD2 3.57Å; F452-H461 AromaticContact CZ-CG 3.2Å; F452-H461 AromaticContact CZ-ND1 3.71Å
453F81.8Confident76.3Confident135 Ų13575 Ų7559%0.59240%0.397SS*.SBendtrans-74.827176.3-50.3-82.5000113.4I442I442-F453 HydrophobicContact CD1-CD1 4.49Å; I442-F453 HydrophobicContact CD1-CE1 3.97Å; I442-F453 HydrophobicContact CG1-CD1 4.01Å; I442-F453 HydrophobicContact CG1-CE1 3.97Å
454S74.9Confident76Confident53 Ų5380.6 Ų80.637%0.37142%0.421SS..SBendtrans-167.8125-177.5-174.50000110.7F452 P456 G457 L458F452-S454 PolarHBondContact O-N 3.13Å; S454-P456 WeakPolarHBondContact OG-CD 3.36Å; S454-G457 VanDerWaalsContact O-CA 3.27Å; S454-G457 WeakPolarHBondContact O-CA 3.05Å; S454-G457 PolarHBondContact O-N 3.35Å; S454-L458 PolarHBondContact O-N 2.9Å
455S76.9Confident75.6Confident52 Ų5279.5 Ų79.536%0.36442%0.417SS..Hα-helixtrans-55.7-48.9174.61620000112.3G457 L458 T459S455-G457 PolarHBondContact O-N 3.28Å; S455-G457 VanDerWaalsContact O-N 3.08Å; S455-L458 PolarHBondContact O-N 2.82Å; S455-T459 PolarHBondContact O-N 3.43Å; S455-T459 PolarHBondContact O-OG1 3.16Å
456P79.9Confident75.3Confident74 Ų7481 Ų8148%0.48142%0.422SS..Hα-helixtrans-59.9-15.2169.3-27.735.5000116.1S454 R460S454-P456 WeakPolarHBondContact OG-CD 3.36Å; P456-R460 PolarHBondContact O-NE 3.47Å; P456-R460 PolarHBondContact O-NH2 2.99Å; P456-R460 VanDerWaalsContact O-NH2 3.1Å
457G77.2Confident74.6Confident19 Ų1976.4 Ų76.420%0.19641%0.413CS..Hα-helixtrans-75.6-54.6166.800000110.6S454 S455 T459 R460 H461S454-G457 VanDerWaalsContact O-CA 3.27Å; S454-G457 WeakPolarHBondContact O-CA 3.05Å; S454-G457 PolarHBondContact O-N 3.35Å; S455-G457 PolarHBondContact O-N 3.28Å; S455-G457 VanDerWaalsContact O-N 3.08Å; G457-T459 PolarHBondContact O-N 3.32Å; G457-R460 PolarHBondContact O-N 2.95Å; G457-H461 PolarHBondContact O-N 3.41Å
458L81.2Confident74.2Confident24 Ų2474.9 Ų74.913%0.12642%0.416CS..Hα-helixtrans-55.9-47.7176.7175.962.9000112.3F443 T444 C445 F452 S454 S455 R460 H461 I462F443-L458 HydrophobicContact CB-CB 4Å; F443-L458 HydrophobicContact CB-CD2 3.77Å; F443-L458 HydrophobicContact CB-CG 4.48Å; T444-L458 VanDerWaalsContact O-CD2 3.27Å; T444-L458 WeakPolarHBondContact O-CD2 3.45Å; C445-L458 HydrophobicContact CB-CD1 3.6Å; F452-L458 HydrophobicContact CB-CB 4.15Å; F452-L458 HydrophobicContact CD2-CB 3.91Å; F452-L458 HydrophobicContact CD2-CD1 3.58Å; F452-L458 HydrophobicContact CD2-CG 4.36Å; F452-L458 HydrophobicContact CE2-CD1 3.84Å; F452-L458 HydrophobicContact CG-CB 4.21Å; S454-L458 PolarHBondContact O-N 2.9Å; S455-L458 PolarHBondContact O-N 2.82Å; L458-R460 VanDerWaalsContact C-N 3.27Å; L458-R460 PolarHBondContact O-N 2.79Å; L458-H461 PolarHBondContact O-N 3.37Å; L458-H461 VanDerWaalsContact O-N 3.13Å; L458-I462 HydrophobicContact CD1-CD1 3.73Å; L458-I462 HydrophobicContact CD1-CG1 3.82Å; L458-I462 HydrophobicContact CD2-CD1 4.13Å; L458-I462 HydrophobicContact CG-CD1 3.69Å; L458-I462 HydrophobicContact CG-CG1 4.17Å; L458-I462 WeakPolarHBondContact O-CB 3.47Å; L458-I462 WeakPolarHBondContact O-CG1 3.34Å; L458-I462 PolarHBondContact O-N 3.3Å
459T78.9Confident73.4Confident70 Ų7081.6 Ų81.643%0.42944%0.444SS..Hα-helixtrans-59.5-38.2-179.9-43.40000112.1S455 G457 N463S455-T459 PolarHBondContact O-N 3.43Å; S455-T459 PolarHBondContact O-OG1 3.16Å; G457-T459 PolarHBondContact O-N 3.32Å; T459-N463 WeakPolarHBondContact O-CB 3.42Å; T459-N463 PolarHBondContact O-N 2.86Å
460R80.2Confident72.3Confident176 Ų17682.8 Ų82.866%0.66444%0.443SS*.Hα-helixtrans-69.2-40.5176.2-89.1178.6-71.9-166.1-2.4111.7P456 G457 L458 K464P456-R460 PolarHBondContact O-NE 3.47Å; P456-R460 PolarHBondContact O-NH2 2.99Å; P456-R460 VanDerWaalsContact O-NH2 3.1Å; G457-R460 PolarHBondContact O-N 2.95Å; L458-R460 VanDerWaalsContact C-N 3.27Å; L458-R460 PolarHBondContact O-N 2.79Å; R460-K464 WeakPolarHBondContact O-CB 3.43Å; R460-K464 PolarHBondContact O-N 2.91Å; R460-K464 VanDerWaalsContact O-N 3.07Å
461H81.3Confident71.8Confident27 Ų2785 Ų8513%0.12545%0.446CS..Hα-helixtrans-62.1-51.1172.1161.274.3000111.6C445 C448 F452 G457 L458 N463 K464 S465 H466C445-H461 VanDerWaalsContact SG-CD2 3.55Å; C445-H461 PolarHBondContact SG-NE2 3.25Å; C448-H461 PolarHBondContact SG-CE1 3.16Å; C448-H461 PolarHBondContact SG-NE2 2.92Å; F452-H461 HydrophobicContact CE1-CB 3.8Å; F452-H461 HydrophobicContact CE2-CB 3.77Å; F452-H461 AromaticContact CE2-CD2 3.37Å; F452-H461 WeakPolarHBondContact CE2-CD2 3.2Å; F452-H461 AromaticContact CE2-CG 3.53Å; F452-H461 HydrophobicContact CZ-CB 3.31Å; F452-H461 AromaticContact CZ-CD2 3.57Å; F452-H461 AromaticContact CZ-CG 3.2Å; F452-H461 AromaticContact CZ-ND1 3.71Å; G457-H461 PolarHBondContact O-N 3.41Å; L458-H461 PolarHBondContact O-N 3.37Å; L458-H461 VanDerWaalsContact O-N 3.13Å; H461-N463 VanDerWaalsContact C-N 3.28Å; H461-N463 PolarHBondContact O-N 3.07Å; H461-K464 PolarHBondContact O-N 3.05Å; H461-S465 PolarHBondContact ND1-OG 3.19Å; H461-S465 WeakPolarHBondContact O-CB 3.45Å; H461-S465 PolarHBondContact O-N 2.78Å; H461-H466 AromaticContact CE1-NE2 4Å; H461-H466 AromaticContact NE2-CD2 3.96Å; H461-H466 AromaticContact NE2-NE2 3.68Å
462I79.4Confident70.4Confident28 Ų2889.9 Ų89.914%0.14446%0.463CS..Hα-helixtrans-52.2-46.2177.8-77.8179.1000111.1L458 K464 H466 R471L458-I462 HydrophobicContact CD1-CD1 3.73Å; L458-I462 HydrophobicContact CD1-CG1 3.82Å; L458-I462 HydrophobicContact CD2-CD1 4.13Å; L458-I462 HydrophobicContact CG-CD1 3.69Å; L458-I462 HydrophobicContact CG-CG1 4.17Å; L458-I462 WeakPolarHBondContact O-CB 3.47Å; L458-I462 WeakPolarHBondContact O-CG1 3.34Å; L458-I462 PolarHBondContact O-N 3.3Å; I462-K464 VanDerWaalsContact C-N 3.33Å; I462-K464 PolarHBondContact O-N 3.1Å; I462-H466 CarbonylContact O-C 3.58Å; I462-H466 WeakPolarHBondContact O-CA 3.42Å; I462-H466 WeakPolarHBondContact O-CB 3.3Å; I462-H466 PolarHBondContact O-N 3.22Å; I462-H466 VanDerWaalsContact O-O 3.14Å; I462-R471 PolarHBondContact O-NH2 3.33Å
463N74.4Confident68.7Low94 Ų9494.3 Ų94.350%0.50349%0.493SS..Hα-helixtrans-82.8-4.1-180-65.9-14.5000114.7T459 H461 R471T459-N463 WeakPolarHBondContact O-CB 3.42Å; T459-N463 PolarHBondContact O-N 2.86Å; H461-N463 VanDerWaalsContact C-N 3.28Å; H461-N463 PolarHBondContact O-N 3.07Å; N463-R471 PolarHBondContact OD1-NH1 3.06Å; N463-R471 PolarHBondContact OD1-NH2 3.24Å
464K73.8Confident66.7Low182 Ų18296.4 Ų96.479%0.79151%0.507SS*.Hα-helixtrans-104.4-33.8177.8-173.372.5172.4-174.40112.7R460 H461 I462R460-K464 WeakPolarHBondContact O-CB 3.43Å; R460-K464 PolarHBondContact O-N 2.91Å; R460-K464 VanDerWaalsContact O-N 3.07Å; H461-K464 PolarHBondContact O-N 3.05Å; I462-K464 VanDerWaalsContact C-N 3.33Å; I462-K464 PolarHBondContact O-N 3.1Å
465S67.3Low65.1Low66 Ų66102.2 Ų102.246%0.46253%0.533SS..Hα-helixtrans-106.6-22.7-174.9-64.80000113.3H461H461-S465 PolarHBondContact ND1-OG 3.19Å; H461-S465 WeakPolarHBondContact O-CB 3.45Å; H461-S465 PolarHBondContact O-N 2.78Å
466H70.4Confident63.2Low44 Ų44106.6 Ų106.620%0.20455%0.552CS.*SBendtrans-128.368.1-179.3-54-77.8000110.5Y447 C448 H461 I462 R471Y447-H466 VanDerWaalsContact CB-CE1 3.43Å; Y447-H466 WeakPolarHBondContact CB-CE1 2.94Å; Y447-H466 WeakPolarHBondContact CB-ND1 3.32Å; Y447-H466 HydrophobicContact CD2-CB 4.39Å; Y447-H466 PolarHBondContact O-CE1 3.33Å; Y447-H466 VanDerWaalsContact O-CE1 3.31Å; C448-H466 PolarHBondContact SG-NE2 2.75Å; C448-H466 VanDerWaalsContact SG-NE2 3.39Å; H461-H466 AromaticContact CE1-NE2 4Å; H461-H466 AromaticContact NE2-CD2 3.96Å; H461-H466 AromaticContact NE2-NE2 3.68Å; I462-H466 CarbonylContact O-C 3.58Å; I462-H466 WeakPolarHBondContact O-CA 3.42Å; I462-H466 WeakPolarHBondContact O-CB 3.3Å; I462-H466 PolarHBondContact O-N 3.22Å; I462-H466 VanDerWaalsContact O-O 3.14Å; H466-R471 PolarHBondContact O-NH2 2.98Å
467P58.6Low61.1Low97 Ų97112.1 Ų112.163%0.6357%0.571SS**  trans-55.2153.6177.924.4-33.9000112.2E469P467-E469 VanDerWaalsContact C-N 3.29Å; P467-E469 PolarHBondContact O-N 3.14Å
468T61Low59Low93 Ų93118.7 Ų118.757%0.57160%0.599SS**G310 helixtrans-77.74.8-150.340.70000117.4N470 R471T468-N470 PolarHBondContact O-N 3.18Å; T468-R471 PolarHBondContact O-N 3.32Å
469E51.7Low56.9Low179 Ų179123.3 Ų123.384%0.83663%0.628SS**G310 helixtrans-62.8-39.6-177.1-162.3164-171.600112.2P467 R471P467-E469 VanDerWaalsContact C-N 3.29Å; P467-E469 PolarHBondContact O-N 3.14Å; E469-R471 VanDerWaalsContact C-N 3.34Å; E469-R471 PolarHBondContact O-N 2.78Å
470N46.2Very low55.1Low156 Ų156126.5 Ų126.583%0.83465%0.647SS**G310 helixtrans-90.834.7178.3-74.7-27.4000114.3T468T468-N470 PolarHBondContact O-N 3.18Å
471R55.1Low52.7Low88 Ų88128.7 Ų128.733%0.33266%0.655SS.*G310 helixtrans-118.410.8176.5-57.8-163.9-156.5160.411.6115I462 N463 H466 T468 E469I462-R471 PolarHBondContact O-NH2 3.33Å; N463-R471 PolarHBondContact OD1-NH1 3.06Å; N463-R471 PolarHBondContact OD1-NH2 3.24Å; H466-R471 PolarHBondContact O-NH2 2.98Å; T468-R471 PolarHBondContact O-N 3.32Å; E469-R471 VanDerWaalsContact C-N 3.34Å; E469-R471 PolarHBondContact O-N 2.78Å
472Q48.1Very low51.3Low181 Ų181136.9 Ų136.985%0.84671%0.711SS**SBendtrans-118.726.9-175.7-72.1-172.8-36.900115.1
473V44.5Very low49.9Very low142 Ų142142.4 Ų142.486%0.86174%0.739SS**SBendtrans-134.566.4165.3-165.90000111.3
474M38.9Very low48.6Very low180 Ų180144.9 Ų144.989%0.88775%0.752SS**  trans-161.678.4150-82.9-143172.100108.9
475L42.7Very low47.2Very low174 Ų174142.8 Ų142.891%0.91175%0.75SS**  trans-70129.9160.5-82.6168000108.1Q477L475-Q477 PolarHBondContact O-N 3.08Å; L475-Q477 VanDerWaalsContact O-N 3.1Å
476L36.1Very low46Very low144 Ų144147.4 Ų147.475%0.75477%0.767SS**  trans-66.8109.8175.3-82.966.5000109.3M478L476-M478 HydrophobicContact CB-CG 4.17Å; L476-M478 HydrophobicContact CD2-CG 4.4Å; L476-M478 PolarHBondContact O-N 2.86Å
477Q37.2Very low44.5Very low191 Ų191153.8 Ų153.889%0.89380%0.802SS**  trans-72.285.6155.4-76.1-174.4-40.600108.3L475 T479L475-Q477 PolarHBondContact O-N 3.08Å; L475-Q477 VanDerWaalsContact O-N 3.1Å; Q477-T479 PolarHBondContact O-N 3.42Å
478M32.2Very low43.5Very low156 Ų156157.6 Ų157.677%0.76881%0.813SS**  trans-72.1110.4166.1-69.8-169.268.900108.6L476 V480L476-M478 HydrophobicContact CB-CG 4.17Å; L476-M478 HydrophobicContact CD2-CG 4.4Å; L476-M478 PolarHBondContact O-N 2.86Å; M478-V480 PolarHBondContact O-N 2.98Å; M478-V480 VanDerWaalsContact O-N 3.16Å
479T36.8Very low42.3Very low121 Ų121162.2 Ų162.274%0.74283%0.831SS**  trans-71.7104.8174.951.30000110.2Q477Q477-T479 PolarHBondContact O-N 3.42Å
480V40.3Very low41.5Very low137 Ų137160.9 Ų160.983%0.8383%0.83SS**  trans-69.7132.5161.3-177.90000108.1M478M478-V480 PolarHBondContact O-N 2.98Å; M478-V480 VanDerWaalsContact O-N 3.16Å
481R31.4Very low41.1Very low223 Ų223161.3 Ų161.384%0.84283%0.83SS**  trans-158.4144.7179.7-96-171.6169.8-164.7-1.9110.1
482P50.5Low39.9Very low199 Ų199168 Ų168100%1.29288%0.875SS**  cis-91.40-41.32.619.2000111.2

Retrieved 482 of 482 residues in 58.1 ms (Link to these results)