A0A5K4FC14_SCHMA Loading...

Rho GTPase-activating protein 68F AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4FC14, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 263 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M57.1Low63.7Low238 Ų238142.5 Ų142.5100%1.17285%0.849SS**  095.20-79.9177.7157.400105.4
2E64.8Low63.2Low190 Ų190141.1 Ų141.189%0.88885%0.849SS**  trans178.7126.2146.7-147.176.1172.300104.4
3S66.7Low61.6Low112 Ų112144.8 Ų144.878%0.78385%0.852SS**  trans-119.4133-160.6-44.50000109.5
4D73.3Confident61Low164 Ų164140.2 Ų140.288%0.87785%0.85SS**PPolyproline II helixtrans-83.5139.1168.6-67.8-35.3000111
5P74.8Confident59.8Low120 Ų120138.3 Ų138.378%0.77984%0.838SS**PPolyproline II helixtrans-87.3141173.833-30.3000112.3
6A68.1Low59.1Low95 Ų95140.4 Ų140.479%0.78584%0.842SS**PPolyproline II helixtrans-68.9135-179.300000113.5
7V61.6Low58Low146 Ų146141.4 Ų141.489%0.88584%0.835SS**PPolyproline II helixtrans-75118.1168177.10000108.9
8T58.1Low57.8Low121 Ų121140.6 Ų140.674%0.74283%0.834SS**  trans-116.6115.5165.7-57.90000107.8
9S65.1Low57.1Low109 Ų109142.9 Ų142.976%0.76283%0.833SS**  trans-84.9117.3171.953.50000110
10T55.4Low56.7Low130 Ų130143.1 Ų143.180%0.79883%0.831SS**  trans-91.6118.916442.50000108.7
11V55.9Low55.8Low143 Ų143145.6 Ų145.687%0.86783%0.831SS**  trans-134.3135158.9176.60000109.6
12C57.3Low55.1Low125 Ų125145.1 Ų145.185%0.84582%0.817SS**  trans-64139.2-157-59.80000117.4
13E43.2Very low54.1Low190 Ų190142.9 Ų142.989%0.88881%0.811SS**  trans-76.2122.6156.3-74.6-177.4143.500110.2
14G52.7Low53.4Low80 Ų80144 Ų14483%0.82581%0.813SS**  trans-101.599.3167.800000110.6
15V43.1Very low51.7Low112 Ų112141.2 Ų141.268%0.67980%0.804SS**  trans-85.1118168.6170.20000108.8
16L48.6Very low50.1Low172 Ų172141.4 Ų141.490%0.90180%0.803SS**  trans-121.9117.3164.9-77.5175.4000110.5
17H41Very low48.8Very low157 Ų157144 Ų14473%0.72780%0.803SS**  trans-66.8157.2169.3-78.5-91.4000111.8
18P54.3Low48.1Very low126 Ų126142 Ų14282%0.81880%0.796SS**  trans-130.8117132.731.6-18000112.1
19K44.1Very low47.5Very low185 Ų185141.5 Ų141.580%0.80479%0.794SS**  trans-81.3126.1152.8-73.7174.9177.4170.80106.5
20N48.2Very low46.6Very low147 Ų147143.6 Ų143.679%0.78680%0.797SS**  trans-161.5108.2141.3-95.2-14.8000110.2
21K37.7Very low46.2Very low195 Ų195143.2 Ų143.285%0.84880%0.797SS**  trans-79.5126.7165.1-78.1175.9172.3179.30107.8
22W43.4Very low45.6Very low229 Ų229142.6 Ų142.687%0.86779%0.793SS**  trans-114.8118.2157.4-77.894000108.4
23N42.8Very low44.8Very low143 Ų143148.2 Ų148.277%0.76580%0.797SS**  trans-83.5136.4166.8-65.9-33.9000108.2
24V52.4Low44.4Very low135 Ų135145.8 Ų145.882%0.81879%0.79SS**  trans-139.3131.7152.3-178.60000107.8
25P38.8Very low44.1Very low106 Ų106147.6 Ų147.669%0.68879%0.79SS**  trans-96.3152.8-172.935.3-27.4000113.9
26T40.3Very low43.6Very low124 Ų124149.4 Ų149.476%0.76180%0.796SS**  trans19.9123.7147.752.80000119.8
27D41.7Very low43.4Very low149 Ų149148.5 Ų148.580%0.79779%0.79SS**  -169.1135.7113.1-121.6-36.4000115.8
28S45.8Very low43.3Very low105 Ų105149.6 Ų149.673%0.73479%0.793SS**  trans64.9139.4144.5-70.20000125.2
29P46.8Very low42.6Very low109 Ų109148.3 Ų148.371%0.70879%0.788SS**  trans-108.3168.5-178.341.1-32.9000116.2
30N44.8Very low42.8Very low153 Ų153147.1 Ų147.182%0.81879%0.79SS**  trans75.5152.8161.6-72.9-19.1000117.4
31P48.1Very low42.5Very low123 Ų123147.8 Ų147.880%0.79979%0.793SS**  cis-150.1173.543.239.9-16.9000119.8
32V43.7Very low42.8Very low130 Ų130142 Ų14279%0.78879%0.789SS**  trans-61.3138164.2173.80000112.2
33R38.8Very low42.8Very low242 Ų242139.4 Ų139.491%0.91379%0.791SS**  trans-165.3132.1138.6-151.2166.3178.8171.9-1.9114.3
34N34.9Very low42.7Very low139 Ų139138.5 Ų138.574%0.74379%0.791SS**  trans-62.7154.6174.4-65.7-23.6000114.7
35S47.3Very low42.1Very low119 Ų119138.3 Ų138.383%0.83279%0.791SS**  trans-150.3122.4136.852.40000111.1
36N33.1Very low42.1Very low149 Ų149141.5 Ų141.580%0.79780%0.796SS**  trans-75.4154.8161.4-62.7-33.2000108.6
37I44.5Very low42Very low153 Ų153144.2 Ų144.279%0.78580%0.797SS**  trans-172.5126.7145.6-93.1145.3000110.5
38F37.6Very low41.9Very low180 Ų180142.7 Ų142.779%0.78979%0.793SS**  trans60117.8149.6-87.4-117.7000120.6
39S41.2Very low41.6Very low100 Ų100143.4 Ų143.470%0.69980%0.796SS**  71.6110.768.8-60.20000113.2
40D47.7Very low41.3Very low160 Ų160149.8 Ų149.886%0.85681%0.806SS**  -179.8149.5102.9-149.10.8000111.7
41D41.2Very low41Very low160 Ų160150.6 Ų150.686%0.85681%0.81SS**  trans-82.8157.7-176.6-71.6-49.3000113
42G43.3Very low40.7Very low73 Ų73149 Ų14975%0.75381%0.808SS**  trans162109.9158.900000119.5
43L43.5Very low40.5Very low176 Ų176150 Ų15092%0.92181%0.808SS**  trans82.799147.6-103.181.5000122.8
44T41.3Very low41Very low123 Ų123146.2 Ų146.276%0.75581%0.806SS**  trans-8.5135.3130.2-57.70000119.1
45T40.9Very low41.4Very low132 Ų132146.3 Ų146.381%0.8181%0.806SS**  175.8135.2116.2-68.30000112.7
46Q37.5Very low41.4Very low172 Ų172144.6 Ų144.680%0.80480%0.799SS**  trans-71.5154.6173.9-64.9-176.4-34.900113.9
47K38.6Very low42Very low182 Ų182146.2 Ų146.279%0.79180%0.802SS**  164.3129117.9-99.8-178.4173.1-177.10115.6
48T40Very low42Very low116 Ų116144.2 Ų144.271%0.71280%0.797SS**  trans54.2145.2139.447.50000125
49P39.9Very low42.3Very low121 Ų121139.6 Ų139.679%0.78679%0.792SS**  trans-93.2160.1177.438.5-32.7000114.2
50W39.7Very low42.4Very low243 Ų243139.9 Ų139.992%0.9279%0.794SS**  trans-90.7132.9-174.2-65.590.1000113.7
51N39.4Very low42.4Very low169 Ų169137.2 Ų137.290%0.90479%0.788SS**  trans-131.3127.9156.9-89.5-21000107.4
52A41.4Very low42.8Very low91 Ų91136.7 Ų136.775%0.75279%0.79SS**  trans-155.8106.2161.800000104.6
53L38.9Very low42.7Very low150 Ų150137 Ų13779%0.78579%0.793SS**  67.697.469.5-144.5146000110.9
54D49.5Very low42.6Very low162 Ų162137.5 Ų137.587%0.86679%0.791SS**  trans-128.8127.8160.5-87.7-37.4000108.4
55D43.7Very low42.7Very low141 Ų141136.5 Ų136.575%0.75479%0.789SS**  trans-60.6169.6172.1-60.5-56.8000111.6
56A46.3Very low42.7Very low83 Ų83134.9 Ų134.969%0.68678%0.783SS**  cis-172.1175.6-4.700000107.5
57E45.3Very low43Very low183 Ų183137.6 Ų137.686%0.85579%0.786SS**  trans77.3146.4156.2-55.9-150.112200119
58T44.8Very low43.1Very low111 Ų111141 Ų14168%0.68179%0.794SS**  cis-175.3146.3-14.1-82.20000106.4
59A43.2Very low43Very low83 Ų83143 Ų14369%0.68680%0.8SS**  trans59.7114.6156.900000120
60S44.4Very low43.4Very low107 Ų107141.8 Ų141.875%0.74879%0.794SS**  85.6128.772.190.10000116.6
61S47.5Very low43.6Very low103 Ų103139.8 Ų139.872%0.7279%0.792SS**  trans108.3115.3140.188.60000119.5
62V49.7Very low44.3Very low150 Ų150141.8 Ų141.891%0.90979%0.789SS**  68.6128.5122.1-175.80000119.3
63G41Very low44.5Very low78 Ų78144.5 Ų144.580%0.80479%0.79SS**  trans162.7102.2154.700000115.4
64E41.6Very low45Very low188 Ų188144 Ų14488%0.87979%0.788SS**  trans-101.3169.6-175.5-158.3166.7141.800112
65S42.4Very low45Very low102 Ų102143.6 Ų143.671%0.71379%0.786SS**  trans93.3108.2152.1-76.90000123.1
66S42.2Very low45.5Very low98 Ų98145 Ų14569%0.68579%0.791SS**  47.4125.3104.5-112.70000122.9
67R42.6Very low45.5Very low228 Ų228146 Ų14686%0.8679%0.79SS**  trans62.6123.5140.1-66.7176.9178.6175.20.5120.1
68R42.3Very low45.5Very low254 Ų254143.3 Ų143.396%0.95879%0.786SS**  -166.2137.5126.7-114.1172.9-93.4-173.8-5.8115.2
69N36.4Very low45.5Very low158 Ų158146.6 Ų146.685%0.84579%0.793SS**  trans-82.1174.7171.4-102.914.9000112.2
70S49.4Very low45.7Very low96 Ų96147.7 Ų147.767%0.67180%0.796SS**  trans107109.5152.786.80000114.8
71K42.7Very low45.8Very low200 Ų200147.2 Ų147.287%0.8780%0.798SS**  73.797.470.3-158.6-180-171.1-1770112.2
72Y54.4Low45.6Very low212 Ų212148.1 Ų148.183%0.83180%0.803SS**  trans-135.2118.4153.1-69.7-78.9000103.8
73D46.6Very low45.8Very low147 Ų147147.2 Ų147.279%0.78680%0.8SS**  114.2130.553.1-127.4-19.8000107.2
74D49.6Very low46.8Very low140 Ų140152.4 Ų152.475%0.74980%0.803SS**  trans-69.6150.5-169.1-69.8-60.3000113.2
75N49.6Very low47.6Very low154 Ų154152.9 Ų152.982%0.82480%0.803SS**  trans177106131.3-88.2-10.2000114.1
76M54.6Low48.6Very low171 Ų171156.9 Ų156.984%0.84281%0.81SS**  trans64.7158.5130.3-75.9-75154.100121.3
77P45Very low49.9Very low102 Ų102159 Ų15966%0.66281%0.812SS**  -132.4161.4-69.132.3-11.6000115
78V44.8Very low51.3Low128 Ų128153.6 Ų153.678%0.77681%0.807SS**  trans10.2119.6149.6-157.90000120.4
79H45.8Very low52.7Low179 Ų179150.8 Ų150.883%0.82981%0.805SS**  trans-179.6109.6132-99.8-78.6000107.3
80S47.5Very low54.2Low107 Ų107150.5 Ų150.575%0.74880%0.801SS**  8912190.9-164.60000113.9
81A46.7Very low55.2Low96 Ų96154.6 Ų154.679%0.79381%0.809SS**  trans76.3130156.700000120.2
82C43.4Very low56.2Low123 Ų123153.6 Ų153.683%0.83181%0.805SS**PPolyproline II helixtrans-59.5149.9179.7-62.80000114.3
83P52.5Low56.8Low131 Ų131149.8 Ų149.885%0.85180%0.799SS**PPolyproline II helixtrans-85.1127.2153.7-2.421.9000110.4
84E63.9Low58Low186 Ų186151.9 Ų151.987%0.86980%0.804SS**PPolyproline II helixtrans-60.3147.8170.8-171.2165.3-174.500111.7E86E84-E86 PolarHBondContact O-N 3.35Å
85F57.3Low58.3Low198 Ų198153.4 Ų153.487%0.86880%0.804SS**  trans-74.3112.7-178.6-135.6-93.7000109
86E62.8Low58.8Low186 Ų186154.1 Ų154.187%0.86980%0.803SS**PPolyproline II helixtrans-88.1120.4176.3-149.7168.3-150.100109.1E84E84-E86 PolarHBondContact O-N 3.35Å
87I70Confident59Low142 Ų142152.7 Ų152.773%0.72880%0.798SS**PPolyproline II helixtrans-86.3124.6177.8-59.2169000107.5E89I87-E89 PolarHBondContact O-N 3.37Å
88P72.6Confident59.7Low116 Ų116155.8 Ų155.875%0.75380%0.803SS**PPolyproline II helixtrans-62122.1176.9-22.433.2000111.6
89E71.5Confident60.1Low195 Ų195157.7 Ų157.791%0.91181%0.808SS**PPolyproline II helixtrans-72.4122.7168.4-62.1-173.417000108.7I87I87-E89 PolarHBondContact O-N 3.37Å
90M68.5Low60.2Low152 Ų152152.9 Ų152.975%0.74980%0.8SS**  trans-97.5102.3179.2-160172.4-45.100108.3F92M90-F92 HydrophobicContact CG-CE2 4.31Å; M90-F92 PolarHBondContact O-N 3.24Å; M90-F92 HydrophobicContact SD-CE2 4.28Å; M90-F92 HydrophobicContact SD-CZ 4.4Å
91E69.6Low60Low181 Ų181154.1 Ų154.185%0.84680%0.803SS**  trans-66.5115.9168.4-113.1172.9166.900108.6
92F63.9Low60.1Low179 Ų179159 Ų15979%0.78581%0.809SS**  trans-89.9110.1165.2-80.8-95.4000107.2M90 E94M90-F92 HydrophobicContact CG-CE2 4.31Å; M90-F92 PolarHBondContact O-N 3.24Å; M90-F92 HydrophobicContact SD-CE2 4.28Å; M90-F92 HydrophobicContact SD-CZ 4.4Å; F92-E94 PolarHBondContact O-N 3.42Å; F92-E94 VanDerWaalsContact O-N 3.16Å
93D66.2Low60.3Low133 Ų133162.9 Ų162.971%0.71181%0.812SS**  trans-63.6113.9171.2-76.1-29.8000109.7F95D93-F95 WeakPolarHBondContact O-CD1 3.36Å; D93-F95 PolarHBondContact O-N 3.16Å; D93-F95 VanDerWaalsContact O-N 3.16Å
94E71.3Confident60.1Low191 Ų191165.7 Ų165.789%0.89381%0.814SS**  trans-71.991.2172.3-171.9172-15400108.9F92 E96F92-E94 PolarHBondContact O-N 3.42Å; F92-E94 VanDerWaalsContact O-N 3.16Å; E94-E96 PolarHBondContact O-N 3.16Å
95F56.6Low58.7Low172 Ų172166.4 Ų166.475%0.75481%0.814SS**  trans-88.497.8166.646.7-91.3000109.9D93 L97D93-F95 WeakPolarHBondContact O-CD1 3.36Å; D93-F95 PolarHBondContact O-N 3.16Å; D93-F95 VanDerWaalsContact O-N 3.16Å; F95-L97 PolarHBondContact O-N 3.41Å
96E61.1Low57.9Low169 Ų169162.4 Ų162.479%0.7981%0.811SS**  trans-61118.8166.8-164.8174.3-156.700109.5E94E94-E96 PolarHBondContact O-N 3.16Å
97L58.8Low56.6Low140 Ų140157.8 Ų157.873%0.73380%0.799SS**  trans-113.984.3179.6-130.9149.7000108.1F95 L99F95-L97 PolarHBondContact O-N 3.41Å; L97-L99 HydrophobicContact CD2-CD1 4.27Å
98E59.5Low55.4Low168 Ų168158 Ų15879%0.78580%0.802SS**  trans-79.6117.2166-87.3-173.1147.900109.6
99L52.9Low54.2Low167 Ų167160.1 Ų160.187%0.87480%0.802SS**  trans-134.783.7159.2-118.4108.7000108.4L97L97-L99 HydrophobicContact CD2-CD1 4.27Å
100A47.8Very low52.8Low79 Ų79158.7 Ų158.765%0.65380%0.795SS**  trans-112.6114.1168.800000109.5
101T42.3Very low51.9Low132 Ų132159.2 Ų159.281%0.8180%0.8SS**  trans50.694.213464.60000117.8
102E48.8Very low50.9Low198 Ų198160.4 Ų160.493%0.92580%0.803SS**  trans-133121.4141.3-70.7-165.3164.600110.4
103K48.5Very low50.4Low205 Ų205159.1 Ų159.189%0.89180%0.799SS**  trans-100105.9-175.5169.3-174.1-179.3172.20106.4
104E47.8Very low50Low190 Ų190158.7 Ų158.789%0.88881%0.807SS**  trans-135.7108162.3-71.3-155.7157.500111.8
105F35.5Very low49.4Very low202 Ų202152.4 Ų152.489%0.88679%0.793SS**  trans7.2115147.1-129.9-100.6000119.1
106S40.1Very low49.8Very low113 Ų113151.2 Ų151.279%0.7978%0.784SS**  trans-148.8115.313574.80000110.4D108S106-D108 PolarHBondContact O-N 2.89Å
107S35.9Very low50.3Low89 Ų89148.6 Ų148.662%0.62277%0.773SS**  trans-57.3119.3163.8390000110.3
108D44.7Very low51Low147 Ų147143.4 Ų143.479%0.78675%0.747SS**  trans177.6114.1131.8-82.1-22.9000109.1S106S106-D108 PolarHBondContact O-N 2.89Å
109E48Very low51.9Low161 Ų161142.4 Ų142.475%0.75276%0.755SS**  trans50.5119.6139.3-64.1-150.6144.900121.2
110Q41.3Very low53.2Low164 Ų164139.9 Ų139.977%0.76674%0.742SS**  trans101.4108.6140.3-64.5160.239.500118.2
111L48.9Very low54.6Low163 Ų163138.5 Ų138.585%0.85374%0.736SS**  trans80.154.5141.5-130.1150000117.2
112F48.6Very low56.3Low207 Ų207137.1 Ų137.191%0.90872%0.723SS**  trans-94.7113148.4-102.5-95.3000108.6S114F112-S114 VanDerWaalsContact C-N 3.28Å; F112-S114 PolarHBondContact O-N 3.13Å
113E54.2Low57.7Low151 Ų151132.9 Ų132.971%0.70671%0.705SS**  trans-59.986.1177.3-167.2172.1-159.300109.8G115E113-G115 PolarHBondContact O-N 2.72Å
114S57.1Low59.1Low125 Ų125125.3 Ų125.387%0.87468%0.675SS**  trans-71.829.5178.1-166.40000112.7F112F112-S114 VanDerWaalsContact C-N 3.28Å; F112-S114 PolarHBondContact O-N 3.13Å
115G59Low60.3Low59 Ų59124 Ų12461%0.60867%0.669SS**  trans-116.118.9-164.400000116E113E113-G115 PolarHBondContact O-N 2.72Å
116R65.2Low62.2Low147 Ų147119.3 Ų119.356%0.55565%0.653SS**SBendtrans-112.513.9-176-78.7177.9154.6-177.1-0.5114.4F127R116-F127 HydrophobicContact CB-CE2 3.8Å; R116-F127 HydrophobicContact CB-CZ 3.64Å; R116-F127 HydrophobicContact CG-CE2 4.06Å; R116-F127 HydrophobicContact CG-CZ 3.65Å; R116-F127 WeakPolarHBondContact O-CE2 3.33Å
117M71.7Confident63.9Low114 Ų114116.3 Ų116.356%0.56263%0.625SS**BIsolated β-bridgetrans-128.7130.6179.9-159.691.773.100106.6
118T73.6Confident65.7Low31 Ų31118.7 Ų118.719%0.1963%0.627CS.*  trans-58.2154.3169.660.70000109.1D120 G121 L122 D124T118-D120 WeakPolarHBondContact CB-OD1 2.85Å; T118-D120 PolarHBondContact O-N 3.12Å; T118-D120 PolarHBondContact OG1-OD1 3.31Å; T118-G121 PolarHBondContact O-N 3.11Å; T118-L122 PolarHBondContact N-O 3.18Å; T118-L122 WeakPolarHBondContact OG1-CA 3.34Å; T118-L122 WeakPolarHBondContact OG1-CB 2.92Å; T118-L122 PolarHBondContact OG1-N 3.06Å; T118-L122 VanDerWaalsContact OG1-N 3.08Å; T118-L122 PolarHBondContact OG1-O 3.4Å; T118-D124 WeakPolarHBondContact CG2-OD1 3.49Å; T118-D124 PolarHBondContact N-OD1 3.11Å
119P77.6Confident67Low147 Ų147119.3 Ų119.396%0.95562%0.618SS**THydrogen-bonded Turntrans-56.4-19.6-179.1-26.234.7000115.1
120D80.6Confident68.1Low114 Ų114117.3 Ų117.361%0.6161%0.609SS**THydrogen-bonded Turntrans-89.35.4175.355.8-37.6000114.2T118 L122T118-D120 WeakPolarHBondContact CB-OD1 2.85Å; T118-D120 PolarHBondContact O-N 3.12Å; T118-D120 PolarHBondContact OG1-OD1 3.31Å; D120-L122 WeakPolarHBondContact OD2-CD1 3.49Å
121G76.9Confident69.4Low50 Ų50114.9 Ų114.952%0.51560%0.6SS.*SBendtrans8115.2175.400000114.2T118T118-G121 PolarHBondContact O-N 3.11Å
122L78.5Confident70Confident103 Ų103109.6 Ų109.654%0.53959%0.586SS.*PPolyproline II helixtrans-91.3149.5174.4-54.7179.4000109.6T118 D120T118-L122 PolarHBondContact N-O 3.18Å; T118-L122 WeakPolarHBondContact OG1-CA 3.34Å; T118-L122 WeakPolarHBondContact OG1-CB 2.92Å; T118-L122 PolarHBondContact OG1-N 3.06Å; T118-L122 VanDerWaalsContact OG1-N 3.08Å; T118-L122 PolarHBondContact OG1-O 3.4Å; D120-L122 WeakPolarHBondContact OD2-CD1 3.49Å
123I79Confident70.4Confident108 Ų108104.7 Ų104.755%0.55458%0.576SS**BIsolated β-bridgetrans-63.5134.6164.646.4166.4000108.3E125I123-E125 PolarHBondContact O-N 2.87Å
124D76.2Confident70.6Confident46 Ų46101.6 Ų101.625%0.24658%0.576CS.*PPolyproline II helixtrans-58.9138.2178.5-58.9-54.5000109.8T118 D126 F127T118-D124 WeakPolarHBondContact CG2-OD1 3.49Å; T118-D124 PolarHBondContact N-OD1 3.11Å; D124-D126 PolarHBondContact O-N 3.36Å; D124-F127 HydrophobicContact CB-CD2 3.92Å; D124-F127 HydrophobicContact CB-CE2 4.42Å; D124-F127 VanDerWaalsContact O-CB 3.25Å; D124-F127 WeakPolarHBondContact O-CB 3.4Å; D124-F127 PolarHBondContact O-N 3.36Å
125E74.6Confident70.7Confident164 Ų16499.2 Ų99.277%0.76656%0.564SS**Hα-helixtrans-57.1-23.9177.3-64.6-178.5173.400112.7I123 F127 E128I123-E125 PolarHBondContact O-N 2.87Å; E125-F127 PolarHBondContact O-N 3.42Å; E125-E128 PolarHBondContact O-N 2.85Å
126D75.7Confident70.9Confident103 Ų103103.6 Ų103.655%0.55157%0.566SS**Hα-helixtrans-66.2-23.9174.2-71.3-26.8000112.7D124 R129 E130D124-D126 PolarHBondContact O-N 3.36Å; D126-R129 PolarHBondContact O-N 3.47Å; D126-R129 IonicContact OD1-CZ 3.91Å; D126-R129 IonicContact OD1-NH1 2.73Å; D126-R129 PolarHBondContact OD1-NH1 2.84Å; D126-E130 WeakPolarHBondContact O-CB 3.34Å; D126-E130 PolarHBondContact O-N 3.5Å
127F74.1Confident71.2Confident49 Ų49105.3 Ų105.322%0.21558%0.581CS.*Hα-helixtrans-62.6-42.4172.4-90.3-85.3000112.3R116 D124 E125 R129 E130 L131R116-F127 HydrophobicContact CB-CE2 3.8Å; R116-F127 HydrophobicContact CB-CZ 3.64Å; R116-F127 HydrophobicContact CG-CE2 4.06Å; R116-F127 HydrophobicContact CG-CZ 3.65Å; R116-F127 WeakPolarHBondContact O-CE2 3.33Å; D124-F127 HydrophobicContact CB-CD2 3.92Å; D124-F127 HydrophobicContact CB-CE2 4.42Å; D124-F127 VanDerWaalsContact O-CB 3.25Å; D124-F127 WeakPolarHBondContact O-CB 3.4Å; D124-F127 PolarHBondContact O-N 3.36Å; E125-F127 PolarHBondContact O-N 3.42Å; F127-R129 VanDerWaalsContact C-N 3.26Å; F127-R129 PolarHBondContact O-N 2.79Å; F127-E130 PolarHBondContact O-N 3.37Å; F127-L131 WeakPolarHBondContact O-CB 3.3Å; F127-L131 WeakPolarHBondContact O-CG 3.3Å; F127-L131 PolarHBondContact O-N 2.9Å
128E74.3Confident71.3Confident140 Ų140106.1 Ų106.165%0.65459%0.586SS**Hα-helixtrans-64.5-37.2179.8-65.8-170.3170.600110.8E125 G132E125-E128 PolarHBondContact O-N 2.85Å; E128-G132 WeakPolarHBondContact O-CA 3.35Å; E128-G132 PolarHBondContact O-N 2.81Å
129R72.2Confident72Confident160 Ų160107.2 Ų107.260%0.60460%0.595SS**Hα-helixtrans-67.8-41.2174.8-167.9-179.2-64.51144.7111.4D126 F127 G132 C133D126-R129 PolarHBondContact O-N 3.47Å; D126-R129 IonicContact OD1-CZ 3.91Å; D126-R129 IonicContact OD1-NH1 2.73Å; D126-R129 PolarHBondContact OD1-NH1 2.84Å; F127-R129 VanDerWaalsContact C-N 3.26Å; F127-R129 PolarHBondContact O-N 2.79Å; R129-G132 PolarHBondContact O-N 3.2Å; R129-C133 PolarHBondContact O-N 2.86Å; R129-C133 PolarHBondContact O-SG 3.2Å; R129-C133 VanDerWaalsContact O-SG 3.37Å
130E70.1Confident72.6Confident118 Ų118104.5 Ų104.555%0.55158%0.576SS**Hα-helixtrans-68.4-44.7178.8-168.6170.7-169.800111.8D126 F127 G132 C133 A134D126-E130 WeakPolarHBondContact O-CB 3.34Å; D126-E130 PolarHBondContact O-N 3.5Å; F127-E130 PolarHBondContact O-N 3.37Å; E130-G132 VanDerWaalsContact C-N 3.32Å; E130-G132 PolarHBondContact O-N 3.25Å; E130-C133 PolarHBondContact O-N 3.29Å; E130-A134 WeakPolarHBondContact O-CB 3.49Å; E130-A134 PolarHBondContact O-N 3.4Å
131L69.9Low73.1Confident113 Ų113100.7 Ų100.759%0.59255%0.554SS**Hα-helixtrans-62.6-39.4171.9-71.2176.7000111.3F127 C133 A134 A135F127-L131 WeakPolarHBondContact O-CB 3.3Å; F127-L131 WeakPolarHBondContact O-CG 3.3Å; F127-L131 PolarHBondContact O-N 2.9Å; L131-C133 VanDerWaalsContact C-N 3.31Å; L131-C133 PolarHBondContact O-N 3.17Å; L131-A134 PolarHBondContact O-N 3.42Å; L131-A135 WeakPolarHBondContact O-CB 3.44Å; L131-A135 PolarHBondContact O-N 3.42Å
132G61.5Low73.8Confident53 Ų53101.2 Ų101.255%0.54655%0.545SS..Hα-helixtrans-65.1-31.617600000113.5E128 R129 E130E128-G132 WeakPolarHBondContact O-CA 3.35Å; E128-G132 PolarHBondContact O-N 2.81Å; R129-G132 PolarHBondContact O-N 3.2Å; E130-G132 VanDerWaalsContact C-N 3.32Å; E130-G132 PolarHBondContact O-N 3.25Å
133C57.5Low74.5Confident104 Ų10499.7 Ų99.770%0.70354%0.54SS*.Hα-helixtrans-80.6-37.7174-73.20000112.7R129 E130 L131R129-C133 PolarHBondContact O-N 2.86Å; R129-C133 PolarHBondContact O-SG 3.2Å; R129-C133 VanDerWaalsContact O-SG 3.37Å; E130-C133 PolarHBondContact O-N 3.29Å; L131-C133 VanDerWaalsContact C-N 3.31Å; L131-C133 PolarHBondContact O-N 3.17Å
134A57.8Low75.2Confident85 Ų8595.3 Ų95.370%0.70252%0.518SS*.Hα-helixtrans-80.6-29.3-176.800000113.6E130 L131E130-A134 WeakPolarHBondContact O-CB 3.49Å; E130-A134 PolarHBondContact O-N 3.4Å; L131-A134 PolarHBondContact O-N 3.42Å
135A60Low76Confident75 Ų7595.4 Ų95.462%0.6252%0.518SS*.  trans-95.712-174.300000114.5L131 E137L131-A135 WeakPolarHBondContact O-CB 3.44Å; L131-A135 PolarHBondContact O-N 3.42Å; A135-E137 PolarHBondContact O-N 2.91Å
136K62.7Low76.8Confident152 Ų15291.9 Ų91.966%0.66151%0.512SS*.  trans-70.299.3173.3-170.1174.8-178.7-179.50108.9L138K136-L138 PolarHBondContact O-N 3.47Å
137E70.5Confident77.7Confident183 Ų18392.2 Ų92.286%0.85551%0.513SS*.PPolyproline II helixtrans-50.3116.3170.2-66.8-173.2163.800108.7A135 S139A135-E137 PolarHBondContact O-N 2.91Å; E137-S139 PolarHBondContact O-N 3.18Å
138L74.5Confident78.6Confident130 Ų13090.9 Ų90.968%0.68151%0.507SS*.PPolyproline II helixtrans-63.1123.9176.7-9587.1000108.4K136 D142 V143K136-L138 PolarHBondContact O-N 3.47Å; L138-D142 HydrophobicContact CD2-CB 4.3Å; L138-D142 HydrophobicContact CG-CB 4.3Å; L138-V143 HydrophobicContact CB-CG2 4.42Å; L138-V143 HydrophobicContact CD2-CG2 4.12Å
139S87.4Confident79.5Confident54 Ų5487 Ų8738%0.37849%0.494SS..PPolyproline II helixtrans-70.8156.8170.573.80000110E137 Q141 D142 V143E137-S139 PolarHBondContact O-N 3.18Å; S139-Q141 PolarHBondContact O-N 3.02Å; S139-Q141 VanDerWaalsContact O-N 3.16Å; S139-D142 VanDerWaalsContact CB-OD2 3.3Å; S139-D142 WeakPolarHBondContact CB-OD2 3.3Å; S139-D142 PolarHBondContact N-OD2 3.13Å; S139-D142 WeakPolarHBondContact O-CB 3.41Å; S139-D142 PolarHBondContact O-N 3.43Å; S139-D142 PolarHBondContact OG-N 2.93Å; S139-D142 PolarHBondContact OG-OD2 3.05Å; S139-V143 PolarHBondContact O-N 3.12Å
140V90.3Very high80.4Confident91 Ų9183 Ų8355%0.55249%0.485SS*.Hα-helixtrans-54.6-34.8173.2177.20000111V143 I144 Q198V140-V143 PolarHBondContact O-N 3.3Å; V140-I144 HydrophobicContact CG1-CD1 4.05Å; V140-I144 WeakPolarHBondContact O-CG1 3.45Å; V140-I144 PolarHBondContact O-N 2.99Å; V140-Q198 HydrophobicContact CG1-CB 4Å
141Q92.2Very high81.4Confident33 Ų3377.4 Ų77.415%0.15446%0.458CS..Hα-helixtrans-66.3-39.6175.9-170.862.847.100112.2S139 V143 I144 D145S139-Q141 PolarHBondContact O-N 3.02Å; S139-Q141 VanDerWaalsContact O-N 3.16Å; Q141-V143 VanDerWaalsContact C-N 3.28Å; Q141-V143 PolarHBondContact O-N 2.85Å; Q141-I144 PolarHBondContact O-N 2.77Å; Q141-D145 PolarHBondContact NE2-OD1 2.84Å; Q141-D145 WeakPolarHBondContact O-CB 3.27Å; Q141-D145 PolarHBondContact O-N 3.02Å
142D91.4Very high82.5Confident62 Ų6273.2 Ų73.233%0.33244%0.439SS..Hα-helixtrans-63.1-37.2179.1-61.8-52.1000111.5L138 S139 D145 S146L138-D142 HydrophobicContact CD2-CB 4.3Å; L138-D142 HydrophobicContact CG-CB 4.3Å; S139-D142 VanDerWaalsContact CB-OD2 3.3Å; S139-D142 WeakPolarHBondContact CB-OD2 3.3Å; S139-D142 PolarHBondContact N-OD2 3.13Å; S139-D142 WeakPolarHBondContact O-CB 3.41Å; S139-D142 PolarHBondContact O-N 3.43Å; S139-D142 PolarHBondContact OG-N 2.93Å; S139-D142 PolarHBondContact OG-OD2 3.05Å; D142-D145 PolarHBondContact O-N 3.12Å; D142-S146 WeakPolarHBondContact O-CB 3.47Å; D142-S146 PolarHBondContact O-N 3.44Å
143V92.9Very high83.9Confident71 Ų7180.8 Ų80.843%0.4345%0.451SS..Hα-helixtrans-63.5-47.1174.4-178.90000110.5L138 S139 V140 Q141 D145 S146 D147L138-V143 HydrophobicContact CB-CG2 4.42Å; L138-V143 HydrophobicContact CD2-CG2 4.12Å; S139-V143 PolarHBondContact O-N 3.12Å; V140-V143 PolarHBondContact O-N 3.3Å; Q141-V143 VanDerWaalsContact C-N 3.28Å; Q141-V143 PolarHBondContact O-N 2.85Å; V143-D145 VanDerWaalsContact C-N 3.33Å; V143-D145 PolarHBondContact O-N 2.92Å; V143-S146 WeakPolarHBondContact O-CB 3.41Å; V143-S146 PolarHBondContact O-N 2.98Å; V143-D147 PolarHBondContact O-N 3.24Å
144I93.3Very high85.5Confident15 Ų1578.6 Ų78.68%0.07743%0.432CS..Hα-helixtrans-63.3-41.7177.2-63.7163.9000110.5V140 Q141 S146 D147 Y148 Y191 K194V140-I144 HydrophobicContact CG1-CD1 4.05Å; V140-I144 WeakPolarHBondContact O-CG1 3.45Å; V140-I144 PolarHBondContact O-N 2.99Å; Q141-I144 PolarHBondContact O-N 2.77Å; I144-S146 PolarHBondContact O-N 3.05Å; I144-D147 PolarHBondContact O-N 2.92Å; I144-D147 VanDerWaalsContact O-N 3.14Å; I144-Y148 HydrophobicContact CG2-CD2 4.16Å; I144-Y148 WeakPolarHBondContact O-CD2 3.39Å; I144-Y148 PolarHBondContact O-N 3.24Å; I144-Y191 HydrophobicContact CG2-CD2 3.88Å; I144-Y191 HydrophobicContact CG2-CE2 3.89Å; I144-K194 HydrophobicContact CD1-CB 4.33Å; I144-K194 WeakPolarHBondContact CD1-O 3.19Å; I144-K194 HydrophobicContact CG1-CB 4.42Å; I144-K194 HydrophobicContact CG2-CB 4.15Å
145D93.2Very high87.2Confident48 Ų4875 Ų7526%0.25740%0.403SS..Hα-helixtrans-66-30-178.6-72.8-7.8000112.3Q141 D142 V143 Y148 S152 Y191Q141-D145 PolarHBondContact NE2-OD1 2.84Å; Q141-D145 WeakPolarHBondContact O-CB 3.27Å; Q141-D145 PolarHBondContact O-N 3.02Å; D142-D145 PolarHBondContact O-N 3.12Å; V143-D145 VanDerWaalsContact C-N 3.33Å; V143-D145 PolarHBondContact O-N 2.92Å; D145-Y148 CarbonylContact O-C 3.56Å; D145-S152 PolarHBondContact O-OG 3.17Å; D145-S152 VanDerWaalsContact O-OG 3.13Å; D145-Y191 PolarHBondContact OD1-OH 3.35Å; D145-Y191 VanDerWaalsContact OD1-OH 3.11Å
146S92.2Very high88.7Confident90 Ų9071.4 Ų71.463%0.62937%0.374SS*.Hα-helixtrans-69.5-36.8173-176.10000112.7D142 V143 I144 Y148D142-S146 WeakPolarHBondContact O-CB 3.47Å; D142-S146 PolarHBondContact O-N 3.44Å; V143-S146 WeakPolarHBondContact O-CB 3.41Å; V143-S146 PolarHBondContact O-N 2.98Å; I144-S146 PolarHBondContact O-N 3.05Å; S146-Y148 VanDerWaalsContact C-N 3.33Å
147D93.7Very high90.2Very high110 Ų11064.6 Ų64.659%0.58834%0.344SS*.Hα-helixtrans-73.9-24.7178.6-74.1-15.7000112.7V143 I144 P149V143-D147 PolarHBondContact O-N 3.24Å; I144-D147 PolarHBondContact O-N 2.92Å; I144-D147 VanDerWaalsContact O-N 3.14Å; D147-P149 VanDerWaalsContact C-CD 3.47Å
148Y93.4Very high91.4Very high22 Ų2259.7 Ų59.79%0.08632%0.321CS..  trans-128.560.6-176.1-60.4-94.7000112I144 D145 S146 D150 I151 S152 H187 M190 Y191I144-Y148 HydrophobicContact CG2-CD2 4.16Å; I144-Y148 WeakPolarHBondContact O-CD2 3.39Å; I144-Y148 PolarHBondContact O-N 3.24Å; D145-Y148 CarbonylContact O-C 3.56Å; S146-Y148 VanDerWaalsContact C-N 3.33Å; Y148-D150 VanDerWaalsContact C-N 3.26Å; Y148-D150 PolarHBondContact O-N 3.14Å; Y148-I151 HydrophobicContact CD1-CD1 4Å; Y148-I151 PolarHBondContact O-N 3.31Å; Y148-S152 VanDerWaalsContact O-CB 3.3Å; Y148-S152 WeakPolarHBondContact O-CB 3.42Å; Y148-S152 PolarHBondContact O-N 3.46Å; Y148-S152 PolarHBondContact O-OG 3.17Å; Y148-S152 VanDerWaalsContact O-OG 3.06Å; Y148-H187 AromaticContact CD1-CD2 3.81Å; Y148-H187 AromaticContact CD1-CE1 3.29Å; Y148-H187 WeakPolarHBondContact CD1-CE1 3.05Å; Y148-H187 AromaticContact CD1-ND1 3.81Å; Y148-H187 AromaticContact CD1-NE2 3.28Å; Y148-H187 VanDerWaalsContact CD1-NE2 3.28Å; Y148-H187 WeakPolarHBondContact CD1-NE2 3.4Å; Y148-H187 AromaticContact CE1-CE1 3.36Å; Y148-H187 WeakPolarHBondContact CE1-CE1 3.41Å; Y148-H187 AromaticContact CE1-ND1 3.61Å; Y148-H187 AromaticContact CE1-NE2 3.85Å; Y148-M190 HydrophobicContact CE1-CB 4.08Å; Y148-Y191 VanDerWaalsContact CB-CD2 3.49Å; Y148-Y191 HydrophobicContact CD1-CD2 4.45Å; Y148-Y191 AromaticContact CD2-CD2 3.95Å; Y148-Y191 HydrophobicContact CD2-CD2 3.95Å; Y148-Y191 AromaticContact CG-CD2 3.73Å; Y148-Y191 HydrophobicContact CG-CD2 3.73Å; Y148-Y191 HydrophobicContact CG-CG 4.33Å
149P92.1Very high92.3Very high58 Ų5856 Ų5638%0.37732%0.315SS..Hα-helixtrans-68.2-23.7-171.128.7-36.3000113.7D147 S152 R153D147-P149 VanDerWaalsContact C-CD 3.47Å; P149-S152 WeakPolarHBondContact CA-OG 3.08Å; P149-R153 WeakPolarHBondContact O-CD 3.48Å; P149-R153 WeakPolarHBondContact O-CG 3.45Å; P149-R153 PolarHBondContact O-NE 3.18Å
150D91.4Very high92.6Very high76 Ų7656.4 Ų56.441%0.40632%0.321SS..Hα-helixtrans-72.9-38.5177.163.8-31.2000112Y148 H187Y148-D150 VanDerWaalsContact C-N 3.26Å; Y148-D150 PolarHBondContact O-N 3.14Å; D150-H187 IonicContact OD1-CD2 3.58Å; D150-H187 IonicContact OD1-NE2 2.78Å; D150-H187 IonicContact OD2-CD2 3.65Å; D150-H187 PolarHBondContact OD2-CD2 3.36Å
151I92Very high92.7Very high0 Ų053.9 Ų53.90%031%0.314CS..Hα-helixtrans-87.8-41.7-179.3-61.5153.1000111.6Y148 R153 L154 I183 H187 L188 Y191Y148-I151 HydrophobicContact CD1-CD1 4Å; Y148-I151 PolarHBondContact O-N 3.31Å; I151-R153 VanDerWaalsContact C-N 3.27Å; I151-R153 PolarHBondContact O-N 3.45Å; I151-L154 VanDerWaalsContact O-CB 3.29Å; I151-L154 WeakPolarHBondContact O-CB 3.35Å; I151-L154 PolarHBondContact O-N 3.18Å; I151-I183 HydrophobicContact CG1-CD1 3.6Å; I151-H187 VanDerWaalsContact CD1-C 3.48Å; I151-H187 HydrophobicContact CD1-CB 4.11Å; I151-H187 WeakPolarHBondContact CD1-CD2 3.08Å; I151-H187 WeakPolarHBondContact CD1-O 3.12Å; I151-L188 HydrophobicContact CG2-CD1 3.72Å; I151-Y191 HydrophobicContact CB-CD1 4.29Å; I151-Y191 HydrophobicContact CB-CG 4.17Å; I151-Y191 HydrophobicContact CD1-CG 4.46Å; I151-Y191 HydrophobicContact CG2-CD1 3.31Å; I151-Y191 HydrophobicContact CG2-CD2 4.36Å; I151-Y191 HydrophobicContact CG2-CE1 3.75Å; I151-Y191 HydrophobicContact CG2-CG 3.64Å
152S92.1Very high92.9Very high25 Ų2556.1 Ų56.118%0.17533%0.327CS..Hα-helixtrans-59.3-40.9-176.464.10000111.4D145 Y148 P149 L154 G155D145-S152 PolarHBondContact O-OG 3.17Å; D145-S152 VanDerWaalsContact O-OG 3.13Å; Y148-S152 VanDerWaalsContact O-CB 3.3Å; Y148-S152 WeakPolarHBondContact O-CB 3.42Å; Y148-S152 PolarHBondContact O-N 3.46Å; Y148-S152 PolarHBondContact O-OG 3.17Å; Y148-S152 VanDerWaalsContact O-OG 3.06Å; P149-S152 WeakPolarHBondContact CA-OG 3.08Å; S152-L154 PolarHBondContact O-N 2.97Å; S152-L154 VanDerWaalsContact O-N 3.16Å; S152-G155 PolarHBondContact O-N 3.38Å
153R92.2Very high93.1Very high212 Ų21255.3 Ų55.380%0.832%0.323SS*.THydrogen-bonded Turntrans-59.3-26.4175.7-72.5175.9-172.3173.52.1114.3P149 I151 G155P149-R153 WeakPolarHBondContact O-CD 3.48Å; P149-R153 WeakPolarHBondContact O-CG 3.45Å; P149-R153 PolarHBondContact O-NE 3.18Å; I151-R153 VanDerWaalsContact C-N 3.27Å; I151-R153 PolarHBondContact O-N 3.45Å; R153-G155 VanDerWaalsContact C-N 3.25Å; R153-G155 PolarHBondContact O-N 3.26Å
154L91.2Very high93.2Very high58 Ų5861.8 Ų61.830%0.30435%0.345SS..THydrogen-bonded Turntrans-71.9-25.7176.9-58171.5000111.1I151 S152 V156 R176 P178 I183I151-L154 VanDerWaalsContact O-CB 3.29Å; I151-L154 WeakPolarHBondContact O-CB 3.35Å; I151-L154 PolarHBondContact O-N 3.18Å; S152-L154 PolarHBondContact O-N 2.97Å; S152-L154 VanDerWaalsContact O-N 3.16Å; L154-V156 VanDerWaalsContact C-N 3.34Å; L154-V156 HydrophobicContact CB-CG2 3.83Å; L154-V156 HydrophobicContact CD1-CG2 4.42Å; L154-R176 WeakPolarHBondContact O-CB 3.46Å; L154-R176 VanDerWaalsContact O-CD 3.3Å; L154-R176 WeakPolarHBondContact O-CD 3.17Å; L154-P178 HydrophobicContact CD1-CB 4.27Å; L154-P178 HydrophobicContact CD1-CG 3.76Å; L154-I183 HydrophobicContact CD1-CD1 3.95Å
155G92.3Very high93.3Very high10 Ų1067.3 Ų67.310%0.10337%0.374CS..THydrogen-bonded Turntrans64.337.4-177.800000112.8S152 R153 L157 Q158 R176S152-G155 PolarHBondContact O-N 3.38Å; R153-G155 VanDerWaalsContact C-N 3.25Å; R153-G155 PolarHBondContact O-N 3.26Å; G155-L157 VanDerWaalsContact C-N 3.31Å; G155-L157 PolarHBondContact O-N 2.89Å; G155-Q158 PolarHBondContact O-NE2 3.26Å; G155-R176 WeakPolarHBondContact O-CD 3.46Å; G155-R176 PolarHBondContact O-NH1 2.63Å
156V92.6Very high93.4Very high0 Ų067.8 Ų67.80%039%0.39CS..SBendtrans-61.4-41.4178.8-173.70000110.9L154 F172 S173 R176 L177L154-V156 VanDerWaalsContact C-N 3.34Å; L154-V156 HydrophobicContact CB-CG2 3.83Å; L154-V156 HydrophobicContact CD1-CG2 4.42Å; V156-F172 HydrophobicContact CG1-CD2 4.38Å; V156-F172 HydrophobicContact CG1-CE1 4.14Å; V156-F172 HydrophobicContact CG1-CE2 3.82Å; V156-F172 HydrophobicContact CG1-CZ 3.69Å; V156-F172 WeakPolarHBondContact O-CA 3.45Å; V156-S173 PolarHBondContact O-N 3.16Å; V156-R176 HydrophobicContact CG2-CB 4.46Å; V156-L177 HydrophobicContact CG1-CD2 3.57Å; V156-L177 HydrophobicContact CG1-CG 4.1Å; V156-L177 HydrophobicContact CG2-CD2 4.18Å
157L94.4Very high93.6Very high8 Ų865.3 Ų65.34%0.04237%0.367CS..EExtended strand (participates in β ladder)trans-113.7136173.7-85.373.9000109.9G155 I170 V171 F172 Y191 I192 T195 L196G155-L157 VanDerWaalsContact C-N 3.31Å; G155-L157 PolarHBondContact O-N 2.89Å; L157-I170 HydrophobicContact CD2-CG2 4.45Å; L157-V171 WeakPolarHBondContact CA-O 3.3Å; L157-F172 HydrophobicContact CD1-CD2 3.37Å; L157-F172 HydrophobicContact CD1-CE2 3.57Å; L157-F172 HydrophobicContact CD1-CG 4.4Å; L157-F172 HydrophobicContact CG-CD2 4.07Å; L157-Y191 HydrophobicContact CB-CE1 4.44Å; L157-I192 HydrophobicContact CD1-CB 4.49Å; L157-I192 HydrophobicContact CD1-CG1 3.73Å; L157-I192 HydrophobicContact CD1-CG2 4.37Å; L157-I192 HydrophobicContact CD2-CG2 4.1Å; L157-T195 HydrophobicContact CB-CG2 4.07Å; L157-T195 HydrophobicContact CD2-CG2 3.54Å; L157-T195 HydrophobicContact CG-CG2 4.45Å; L157-L196 HydrophobicContact CD2-CD2 4.28Å; L157-L196 HydrophobicContact CD2-CG 4.27Å
158Q93.9Very high93.7Very high80 Ų8063.7 Ų63.737%0.37436%0.355SS..EExtended strand (participates in β ladder)trans-141.1141.1175.9-75.4161.769.500109.9G155 V171 R176G155-Q158 PolarHBondContact O-NE2 3.26Å; Q158-V171 PolarHBondContact N-O 3.3Å; Q158-V171 PolarHBondContact O-N 3.49Å; Q158-R176 VanDerWaalsContact NE2-CZ 3.27Å
159G93.5Very high93.9Very high54 Ų5464 Ų6456%0.55736%0.357SS*.EExtended strand (participates in β ladder)trans-77.3128.1165.700000110.1
160A93.7Very high94.1Very high61 Ų6161.3 Ų61.350%0.50434%0.34SS..EExtended strand (participates in β ladder)trans-108.714.9-177.400000113.5I169 V171A160-I169 HydrophobicContact CB-CB 4.22Å; A160-I169 HydrophobicContact CB-CG2 3.95Å; A160-I169 PolarHBondContact N-O 3.22Å; A160-V171 HydrophobicContact CB-CG2 3.64Å
161G94.1Very high94.3Very high38 Ų3858.6 Ų58.639%0.39233%0.326SS..EExtended strand (participates in β ladder)trans92.4-144.2-176.900000112.6I169G161-I169 PolarHBondContact O-N 3.43Å
162D96.1Very high94.5Very high81 Ų8160 Ų6043%0.43333%0.332SS..EExtended strand (participates in β ladder)trans-121.6143.6-173.8-63.4-50.3000112R167 K168D162-R167 CarbonylContact C-O 3.58Å; D162-R167 WeakPolarHBondContact CA-O 3.36Å; D162-K168 WeakPolarHBondContact OD1-CA 3.29Å; D162-K168 WeakPolarHBondContact OD1-CD 3.28Å; D162-K168 WeakPolarHBondContact OD1-CE 3.46Å; D162-K168 IonicContact OD1-NZ 2.79Å; D162-K168 PolarHBondContact OD1-NZ 2.95Å; D162-K168 IonicContact OD2-NZ 3.9Å; D162-K168 PolarHBondContact OD2-NZ 3.13Å
163D95.6Very high94.5Very high45 Ų4559.3 Ų59.324%0.24133%0.327CS..  trans-73.8170.4170.4-174.523.3000110.8L165 G166 R167 I169D163-L165 PolarHBondContact O-N 2.89Å; D163-G166 PolarHBondContact O-N 3.09Å; D163-R167 PolarHBondContact N-O 2.92Å; D163-R167 IonicContact OD2-CZ 3.45Å; D163-R167 IonicContact OD2-NE 2.81Å; D163-R167 IonicContact OD2-NH2 3.56Å; D163-R167 PolarHBondContact OD2-NH2 3.41Å; D163-I169 HydrophobicContact CB-CD1 3.93Å; D163-I169 HydrophobicContact CB-CG1 4.04Å
164K95.1Very high94.5Very high207 Ų20749.2 Ų49.290%0.929%0.289SS*.THydrogen-bonded Turntrans-53.9-19.1179-61-177.1-179.5-1760114.7
165L95.3Very high94.3Very high130 Ų13049.8 Ų49.868%0.68130%0.297SS*.THydrogen-bonded Turntrans-98.69.6177.6-60.4177.6000113.3D163 R167D163-L165 PolarHBondContact O-N 2.89Å; L165-R167 VanDerWaalsContact C-N 3.33Å; L165-R167 HydrophobicContact CB-CG 4.26Å; L165-R167 PolarHBondContact O-N 3.34Å
166G94.7Very high94.2Very high58 Ų5854.7 Ų54.760%0.59831%0.313SS*.SBendtrans74.918.5-178.600000114.7D163D163-G166 PolarHBondContact O-N 3.09Å
167R96.1Very high93.9Very high38 Ų3855.5 Ų55.514%0.14332%0.317CS..PPolyproline II helixtrans-91.4134.5-179-59.4177.9-62.8-174.62.5110.2D162 D163 L165 I169 D203 V205D162-R167 CarbonylContact C-O 3.58Å; D162-R167 WeakPolarHBondContact CA-O 3.36Å; D163-R167 PolarHBondContact N-O 2.92Å; D163-R167 IonicContact OD2-CZ 3.45Å; D163-R167 IonicContact OD2-NE 2.81Å; D163-R167 IonicContact OD2-NH2 3.56Å; D163-R167 PolarHBondContact OD2-NH2 3.41Å; L165-R167 VanDerWaalsContact C-N 3.33Å; L165-R167 HydrophobicContact CB-CG 4.26Å; L165-R167 PolarHBondContact O-N 3.34Å; R167-I169 PolarHBondContact O-N 3.47Å; R167-D203 WeakPolarHBondContact CA-O 3.46Å; R167-D203 WeakPolarHBondContact CB-O 3.3Å; R167-D203 HydrophobicContact CG-CB 4.08Å; R167-V205 HydrophobicContact CB-CG2 4.38Å
168K96.4Very high93.4Very high77 Ų7756.5 Ų56.534%0.33532%0.324SS..EExtended strand (participates in β ladder)trans-62.6131.8179.3-66.9-72.8159.8-152.20110.9D162 Y199 I202 D203 Y204 V205D162-K168 WeakPolarHBondContact OD1-CA 3.29Å; D162-K168 WeakPolarHBondContact OD1-CD 3.28Å; D162-K168 WeakPolarHBondContact OD1-CE 3.46Å; D162-K168 IonicContact OD1-NZ 2.79Å; D162-K168 PolarHBondContact OD1-NZ 2.95Å; D162-K168 IonicContact OD2-NZ 3.9Å; D162-K168 PolarHBondContact OD2-NZ 3.13Å; K168-Y199 HydrophobicContact CB-CD1 4.03Å; K168-Y199 HydrophobicContact CB-CE1 4.25Å; K168-Y199 HydrophobicContact CD-CE1 4.49Å; K168-Y199 HydrophobicContact CG-CD1 4.14Å; K168-Y199 HydrophobicContact CG-CE1 4.26Å; K168-I202 HydrophobicContact CB-CD1 4.3Å; K168-I202 HydrophobicContact CG-CD1 3.52Å; K168-D203 PolarHBondContact N-O 3.26Å; K168-Y204 CarbonylContact O-C 3.57Å; K168-Y204 WeakPolarHBondContact O-CA 3.33Å; K168-Y204 WeakPolarHBondContact O-CB 3.44Å; K168-V205 PolarHBondContact O-N 3.41Å
169I97Very high92.8Very high28 Ų2854.1 Ų54.114%0.14432%0.318CS..EExtended strand (participates in β ladder)trans-100.7123.8176.2-57176.5000108.8A160 G161 D163 R167 V171 I207A160-I169 HydrophobicContact CB-CB 4.22Å; A160-I169 HydrophobicContact CB-CG2 3.95Å; A160-I169 PolarHBondContact N-O 3.22Å; G161-I169 PolarHBondContact O-N 3.43Å; D163-I169 HydrophobicContact CB-CD1 3.93Å; D163-I169 HydrophobicContact CB-CG1 4.04Å; R167-I169 PolarHBondContact O-N 3.47Å; I169-V171 HydrophobicContact CG2-CG2 4.45Å; I169-I207 HydrophobicContact CG2-CD1 3.48Å; I169-I207 VanDerWaalsContact CG2-CD1 3.48Å; I169-I207 HydrophobicContact CG2-CG1 3.95Å
170I96Very high92.1Very high1 Ų152.6 Ų52.61%0.00530%0.3CS..EExtended strand (participates in β ladder)trans-113.4129176-51166.6000107.6L157 L196 Y199 Y204 V205 L206 I207L157-I170 HydrophobicContact CD2-CG2 4.45Å; I170-L196 HydrophobicContact CD1-CD2 3.64Å; I170-L196 HydrophobicContact CG2-CD2 4.2Å; I170-Y199 HydrophobicContact CD1-CD1 4.41Å; I170-Y199 HydrophobicContact CD1-CD2 3.18Å; I170-Y199 HydrophobicContact CD1-CE2 3.71Å; I170-Y199 HydrophobicContact CD1-CG 3.57Å; I170-Y199 HydrophobicContact CG1-CD2 3.84Å; I170-Y199 HydrophobicContact CG1-CE2 3.86Å; I170-Y199 HydrophobicContact CG1-CG 4.25Å; I170-Y204 HydrophobicContact CD1-CD2 3.59Å; I170-Y204 HydrophobicContact CD1-CE2 4.05Å; I170-Y204 HydrophobicContact CD1-CG 4.27Å; I170-V205 PolarHBondContact N-O 2.69Å; I170-L206 HydrophobicContact CB-CD1 3.91Å; I170-L206 HydrophobicContact CG2-CD1 3.91Å; I170-L206 CarbonylContact O-C 3.48Å; I170-L206 WeakPolarHBondContact O-CA 3.34Å; I170-L206 WeakPolarHBondContact O-CD1 3.49Å; I170-I207 PolarHBondContact O-N 2.91Å
171V96.5Very high91.3Very high20 Ų2057.1 Ų57.112%0.12132%0.316CS..EExtended strand (participates in β ladder)trans-106.2123.4179.6171.40000109.5L157 Q158 A160 I169 I207 F209L157-V171 WeakPolarHBondContact CA-O 3.3Å; Q158-V171 PolarHBondContact N-O 3.3Å; Q158-V171 PolarHBondContact O-N 3.49Å; A160-V171 HydrophobicContact CB-CG2 3.64Å; I169-V171 HydrophobicContact CG2-CG2 4.45Å; V171-I207 HydrophobicContact CG2-CB 4.3Å; V171-I207 HydrophobicContact CG2-CD1 4.49Å; V171-F209 HydrophobicContact CG1-CD2 3.59Å; V171-F209 HydrophobicContact CG1-CE2 3.45Å; V171-F209 VanDerWaalsContact CG1-CE2 3.45Å; V171-F209 HydrophobicContact CG2-CE2 4.33Å
172F95Very high90.7Very high28 Ų2862.3 Ų62.312%0.12333%0.334CS..EExtended strand (participates in β ladder)trans-105.7120.7170.2-171.5-72.9000109.9V156 L157 L177 I192 L206 I207 Y208 F209V156-F172 HydrophobicContact CG1-CD2 4.38Å; V156-F172 HydrophobicContact CG1-CE1 4.14Å; V156-F172 HydrophobicContact CG1-CE2 3.82Å; V156-F172 HydrophobicContact CG1-CZ 3.69Å; V156-F172 WeakPolarHBondContact O-CA 3.45Å; L157-F172 HydrophobicContact CD1-CD2 3.37Å; L157-F172 HydrophobicContact CD1-CE2 3.57Å; L157-F172 HydrophobicContact CD1-CG 4.4Å; L157-F172 HydrophobicContact CG-CD2 4.07Å; F172-L177 HydrophobicContact CE1-CD1 3.96Å; F172-L177 HydrophobicContact CE1-CG 4.37Å; F172-L177 HydrophobicContact CZ-CD1 4.07Å; F172-L177 HydrophobicContact CZ-CD2 4.15Å; F172-L177 HydrophobicContact CZ-CG 4.37Å; F172-I192 HydrophobicContact CE2-CD1 3.85Å; F172-I192 HydrophobicContact CE2-CG1 4.36Å; F172-I192 HydrophobicContact CZ-CD1 4.45Å; F172-L206 HydrophobicContact CB-CD1 4.37Å; F172-I207 PolarHBondContact N-O 3.41Å; F172-Y208 HydrophobicContact CB-CD2 4.12Å; F172-Y208 AromaticContact CD1-CD2 3.34Å; F172-Y208 HydrophobicContact CD1-CD2 3.34Å; F172-Y208 AromaticContact CD1-CE2 3.38Å; F172-Y208 HydrophobicContact CD1-CE2 3.38Å; F172-Y208 HydrophobicContact CE1-CD2 4.06Å; F172-Y208 AromaticContact CE1-CE2 3.62Å; F172-Y208 HydrophobicContact CE1-CE2 3.62Å; F172-Y208 AromaticContact CG-CD2 3.95Å; F172-Y208 HydrophobicContact CG-CD2 3.95Å; F172-Y208 HydrophobicContact CG-CE2 4.37Å; F172-F209 PolarHBondContact O-N 3.5Å
173S93.8Very high90Very high11 Ų1159.4 Ų59.48%0.07732%0.318CS..EExtended strand (participates in β ladder)trans-108.3106.5-177.5-65.10000112V156 C175 R176V156-S173 PolarHBondContact O-N 3.16Å; S173-C175 VanDerWaalsContact C-N 3.3Å; S173-C175 PolarHBondContact O-N 3Å; S173-R176 PolarHBondContact O-N 3.01Å
174A90.5Very high89.6Confident0 Ų061.9 Ų61.90%033%0.331CS..G310 helixtrans-67.7-27.9179.400000113.5R176 L177 Y208 F209 L213A174-R176 PolarHBondContact O-N 2.86Å; A174-L177 HydrophobicContact CB-CD1 4.48Å; A174-L177 WeakPolarHBondContact O-CB 3.28Å; A174-L177 PolarHBondContact O-N 3.48Å; A174-Y208 HydrophobicContact CB-CE2 4.09Å; A174-F209 WeakPolarHBondContact CB-O 3.49Å; A174-F209 PolarHBondContact N-O 3Å; A174-L213 HydrophobicContact CB-CB 4.1Å; A174-L213 HydrophobicContact CB-CD1 4.06Å
175C88.2Confident89.3Confident70 Ų7053.5 Ų53.547%0.47330%0.295SS..G310 helixtrans-64-21.8176.156.80000113.9S173 F211S173-C175 VanDerWaalsContact C-N 3.3Å; S173-C175 PolarHBondContact O-N 3Å; C175-F211 WeakPolarHBondContact CB-O 3.45Å; C175-F211 PolarHBondContact N-O 3.18Å
176R89.2Confident89Confident114 Ų11450.9 Ų50.943%0.4328%0.28SS..G310 helixtrans-93.1-1.9-179.8-66.8176.9178.5-148.310.4112.7L154 G155 V156 Q158 S173 A174L154-R176 WeakPolarHBondContact O-CB 3.46Å; L154-R176 VanDerWaalsContact O-CD 3.3Å; L154-R176 WeakPolarHBondContact O-CD 3.17Å; G155-R176 WeakPolarHBondContact O-CD 3.46Å; G155-R176 PolarHBondContact O-NH1 2.63Å; V156-R176 HydrophobicContact CG2-CB 4.46Å; Q158-R176 VanDerWaalsContact NE2-CZ 3.27Å; S173-R176 PolarHBondContact O-N 3.01Å; A174-R176 PolarHBondContact O-N 2.86Å
177L87.6Confident88.9Confident17 Ų1750.8 Ų50.89%0.08926%0.263CS..PPolyproline II helixtrans-70128173.2-72.9171.6000109.6V156 F172 A174 L188 L213V156-L177 HydrophobicContact CG1-CD2 3.57Å; V156-L177 HydrophobicContact CG1-CG 4.1Å; V156-L177 HydrophobicContact CG2-CD2 4.18Å; F172-L177 HydrophobicContact CE1-CD1 3.96Å; F172-L177 HydrophobicContact CE1-CG 4.37Å; F172-L177 HydrophobicContact CZ-CD1 4.07Å; F172-L177 HydrophobicContact CZ-CD2 4.15Å; F172-L177 HydrophobicContact CZ-CG 4.37Å; A174-L177 HydrophobicContact CB-CD1 4.48Å; A174-L177 WeakPolarHBondContact O-CB 3.28Å; A174-L177 PolarHBondContact O-N 3.48Å; L177-L188 HydrophobicContact CD2-CD1 4.28Å; L177-L188 HydrophobicContact CD2-CD2 3.64Å; L177-L213 HydrophobicContact CD1-CD1 3.87Å
178P82.4Confident88.7Confident28 Ų2849.2 Ų49.218%0.18226%0.258CS..PPolyproline II helixtrans-71.2165.3177.133.6-32.6000109.3L154 I183L154-P178 HydrophobicContact CD1-CB 4.27Å; L154-P178 HydrophobicContact CD1-CG 3.76Å; P178-I183 HydrophobicContact CB-CB 4.47Å; P178-I183 HydrophobicContact CG-CB 3.62Å; P178-I183 HydrophobicContact CG-CD1 3.65Å; P178-I183 HydrophobicContact CG-CG1 4.25Å; P178-I183 HydrophobicContact CG-CG2 3.47Å; P178-I183 VanDerWaalsContact CG-CG2 3.47Å
179A81.2Confident88.5Confident30 Ų3045.8 Ų45.825%0.24824%0.243CC..PPolyproline II helixtrans-62.2149.117600000110.3D181 L182 K216A179-D181 PolarHBondContact O-N 3.39Å; A179-L182 HydrophobicContact CB-CD1 3.7Å; A179-L182 PolarHBondContact O-N 2.94Å; A179-K216 WeakPolarHBondContact CA-O 3.4Å
180A79.3Confident88.4Confident22 Ų2248.9 Ų48.918%0.18226%0.258CS..THydrogen-bonded Turntrans-56-26.6-176.200000113.2H185 K216A180-H185 VanDerWaalsContact CA-CE1 3.45Å; A180-H185 WeakPolarHBondContact CA-CE1 3.38Å; A180-H185 PolarHBondContact O-CE1 2.77Å; A180-K216 PolarHBondContact N-O 2.89Å; A180-K216 VanDerWaalsContact N-O 3.1Å
181D78Confident88.3Confident157 Ų15749 Ų4984%0.8426%0.258SS*.THydrogen-bonded Turntrans-85.6-15.2-177.7-53-41.1000113.2A179A179-D181 PolarHBondContact O-N 3.39Å
182L81Confident88.2Confident146 Ų14648.4 Ų48.476%0.76426%0.255SS*.THydrogen-bonded Turntrans-95.5-17.8-176.7-80.596.4000113.8A179A179-L182 HydrophobicContact CB-CD1 3.7Å; A179-L182 PolarHBondContact O-N 2.94Å
183I81.2Confident88.1Confident21 Ų2147.7 Ų47.711%0.10825%0.253CS..SBendtrans-129145-176.6-155154.1000113I151 L154 P178 H185I151-I183 HydrophobicContact CG1-CD1 3.6Å; L154-I183 HydrophobicContact CD1-CD1 3.95Å; P178-I183 HydrophobicContact CB-CB 4.47Å; P178-I183 HydrophobicContact CG-CB 3.62Å; P178-I183 HydrophobicContact CG-CD1 3.65Å; P178-I183 HydrophobicContact CG-CG1 4.25Å; P178-I183 HydrophobicContact CG-CG2 3.47Å; P178-I183 VanDerWaalsContact CG-CG2 3.47Å; I183-H185 PolarHBondContact O-N 2.78Å; I183-H185 PolarHBondContact O-ND1 2.97Å
184D87.4Confident88.2Confident96 Ų9651.5 Ų51.551%0.51327%0.268SS..  trans-69.8113.8164.7-179.416.7000109.7Q186 H187 L188D184-Q186 PolarHBondContact O-N 3.4Å; D184-Q186 PolarHBondContact OD1-N 2.81Å; D184-H187 HydrophobicContact CB-CB 3.88Å; D184-H187 PolarHBondContact O-N 2.92Å; D184-H187 PolarHBondContact OD2-N 2.81Å; D184-L188 PolarHBondContact O-N 3.48Å
185H87.7Confident88.3Confident32 Ų3251.6 Ų51.615%0.14827%0.269CS..Hα-helixtrans-65.4-27.9178.4-67.180.3000112.2A180 I183 L189 W223A180-H185 VanDerWaalsContact CA-CE1 3.45Å; A180-H185 WeakPolarHBondContact CA-CE1 3.38Å; A180-H185 PolarHBondContact O-CE1 2.77Å; I183-H185 PolarHBondContact O-N 2.78Å; I183-H185 PolarHBondContact O-ND1 2.97Å; H185-L189 WeakPolarHBondContact O-CB 3.29Å; H185-L189 PolarHBondContact O-N 2.78Å; H185-W223 VanDerWaalsContact CB-CD1 3.5Å; H185-W223 HydrophobicContact CB-CG 4.17Å; H185-W223 PolarHBondContact O-NE1 2.85Å
186Q90.5Very high88.6Confident75 Ų7548.8 Ų48.835%0.3525%0.249SC..Hα-helixtrans-68.7-46.5174.6-65.6-58.6-39.800110.4D184 L188 L189 M190D184-Q186 PolarHBondContact O-N 3.4Å; D184-Q186 PolarHBondContact OD1-N 2.81Å; Q186-L188 VanDerWaalsContact C-N 3.32Å; Q186-L188 PolarHBondContact O-N 2.84Å; Q186-L189 WeakPolarHBondContact O-CB 3.24Å; Q186-L189 PolarHBondContact O-N 2.86Å; Q186-L189 VanDerWaalsContact O-N 3.09Å; Q186-M190 WeakPolarHBondContact O-CG 3.33Å; Q186-M190 PolarHBondContact O-N 3.48Å
187H91.4Very high88.9Confident55 Ų5547.2 Ų47.226%0.25525%0.246SC..Hα-helixtrans-57.1-45.5174.7-155.159.8000111.9Y148 D150 I151 D184 L189 M190 Y191Y148-H187 AromaticContact CD1-CD2 3.81Å; Y148-H187 AromaticContact CD1-CE1 3.29Å; Y148-H187 WeakPolarHBondContact CD1-CE1 3.05Å; Y148-H187 AromaticContact CD1-ND1 3.81Å; Y148-H187 AromaticContact CD1-NE2 3.28Å; Y148-H187 VanDerWaalsContact CD1-NE2 3.28Å; Y148-H187 WeakPolarHBondContact CD1-NE2 3.4Å; Y148-H187 AromaticContact CE1-CE1 3.36Å; Y148-H187 WeakPolarHBondContact CE1-CE1 3.41Å; Y148-H187 AromaticContact CE1-ND1 3.61Å; Y148-H187 AromaticContact CE1-NE2 3.85Å; D150-H187 IonicContact OD1-CD2 3.58Å; D150-H187 IonicContact OD1-NE2 2.78Å; D150-H187 IonicContact OD2-CD2 3.65Å; D150-H187 PolarHBondContact OD2-CD2 3.36Å; I151-H187 VanDerWaalsContact CD1-C 3.48Å; I151-H187 HydrophobicContact CD1-CB 4.11Å; I151-H187 WeakPolarHBondContact CD1-CD2 3.08Å; I151-H187 WeakPolarHBondContact CD1-O 3.12Å; D184-H187 HydrophobicContact CB-CB 3.88Å; D184-H187 PolarHBondContact O-N 2.92Å; D184-H187 PolarHBondContact OD2-N 2.81Å; H187-L189 PolarHBondContact O-N 3.13Å; H187-M190 PolarHBondContact O-N 2.9Å; H187-Y191 PolarHBondContact O-N 2.99Å
188L92.1Very high89.1Confident5 Ų548.6 Ų48.63%0.02625%0.252CS..Hα-helixtrans-57.6-45.9173.3177.365.8000112.1I151 L177 D184 Q186 M190 Y191 I192 W223I151-L188 HydrophobicContact CG2-CD1 3.72Å; L177-L188 HydrophobicContact CD2-CD1 4.28Å; L177-L188 HydrophobicContact CD2-CD2 3.64Å; D184-L188 PolarHBondContact O-N 3.48Å; Q186-L188 VanDerWaalsContact C-N 3.32Å; Q186-L188 PolarHBondContact O-N 2.84Å; L188-M190 VanDerWaalsContact C-N 3.33Å; L188-M190 PolarHBondContact O-N 2.81Å; L188-Y191 PolarHBondContact O-N 2.94Å; L188-I192 HydrophobicContact CD1-CD1 3.98Å; L188-I192 HydrophobicContact CD1-CG1 4.28Å; L188-I192 HydrophobicContact CD2-CD1 4.5Å; L188-I192 HydrophobicContact CG-CD1 3.82Å; L188-I192 WeakPolarHBondContact O-CD1 3.49Å; L188-I192 WeakPolarHBondContact O-CG1 3.33Å; L188-I192 PolarHBondContact O-N 3.4Å; L188-W223 HydrophobicContact CD2-CH2 4.47Å; L188-W223 HydrophobicContact CD2-CZ2 4.24Å; L188-W223 HydrophobicContact CG-CZ2 4.47Å
189L92.9Very high89.6Confident5 Ų549 Ų493%0.02625%0.25CS..Hα-helixtrans-63.6-39.6179.1179.958000111.9H185 Q186 H187 I192 T193 W223 Q226 A227 F231H185-L189 WeakPolarHBondContact O-CB 3.29Å; H185-L189 PolarHBondContact O-N 2.78Å; Q186-L189 WeakPolarHBondContact O-CB 3.24Å; Q186-L189 PolarHBondContact O-N 2.86Å; Q186-L189 VanDerWaalsContact O-N 3.09Å; H187-L189 PolarHBondContact O-N 3.13Å; L189-I192 PolarHBondContact O-N 3.11Å; L189-T193 WeakPolarHBondContact O-CB 3.44Å; L189-T193 PolarHBondContact O-N 3.4Å; L189-T193 PolarHBondContact O-OG1 2.98Å; L189-W223 HydrophobicContact CB-CZ2 3.93Å; L189-W223 HydrophobicContact CD1-CZ2 4.29Å; L189-Q226 HydrophobicContact CD2-CG 4.29Å; L189-A227 HydrophobicContact CD1-CB 3.54Å; L189-A227 HydrophobicContact CD2-CB 4.26Å; L189-F231 HydrophobicContact CD1-CE2 4.2Å; L189-F231 HydrophobicContact CD1-CZ 3.9Å
190M93.9Very high90.2Very high94 Ų9448.7 Ų48.746%0.46325%0.246SC..Hα-helixtrans-63.4-48.1176.2-71.6174.662.300111.2Y148 Q186 H187 L188 I192 T193 K194Y148-M190 HydrophobicContact CE1-CB 4.08Å; Q186-M190 WeakPolarHBondContact O-CG 3.33Å; Q186-M190 PolarHBondContact O-N 3.48Å; H187-M190 PolarHBondContact O-N 2.9Å; L188-M190 VanDerWaalsContact C-N 3.33Å; L188-M190 PolarHBondContact O-N 2.81Å; M190-I192 PolarHBondContact O-N 2.89Å; M190-T193 PolarHBondContact O-N 2.69Å; M190-T193 VanDerWaalsContact O-N 3.13Å; M190-K194 WeakPolarHBondContact O-CB 3.45Å; M190-K194 WeakPolarHBondContact O-CG 3.48Å; M190-K194 PolarHBondContact O-N 2.88Å
191Y94.4Very high90.8Very high2 Ų251.9 Ų51.91%0.00827%0.266CS..Hα-helixtrans-56-48.9175.4173-100000112.1I144 D145 Y148 I151 L157 H187 L188 T193 K194 T195I144-Y191 HydrophobicContact CG2-CD2 3.88Å; I144-Y191 HydrophobicContact CG2-CE2 3.89Å; D145-Y191 PolarHBondContact OD1-OH 3.35Å; D145-Y191 VanDerWaalsContact OD1-OH 3.11Å; Y148-Y191 VanDerWaalsContact CB-CD2 3.49Å; Y148-Y191 HydrophobicContact CD1-CD2 4.45Å; Y148-Y191 AromaticContact CD2-CD2 3.95Å; Y148-Y191 HydrophobicContact CD2-CD2 3.95Å; Y148-Y191 AromaticContact CG-CD2 3.73Å; Y148-Y191 HydrophobicContact CG-CD2 3.73Å; Y148-Y191 HydrophobicContact CG-CG 4.33Å; I151-Y191 HydrophobicContact CB-CD1 4.29Å; I151-Y191 HydrophobicContact CB-CG 4.17Å; I151-Y191 HydrophobicContact CD1-CG 4.46Å; I151-Y191 HydrophobicContact CG2-CD1 3.31Å; I151-Y191 HydrophobicContact CG2-CD2 4.36Å; I151-Y191 HydrophobicContact CG2-CE1 3.75Å; I151-Y191 HydrophobicContact CG2-CG 3.64Å; L157-Y191 HydrophobicContact CB-CE1 4.44Å; H187-Y191 PolarHBondContact O-N 2.99Å; L188-Y191 PolarHBondContact O-N 2.94Å; Y191-T193 VanDerWaalsContact C-N 3.29Å; Y191-T193 PolarHBondContact O-N 3.46Å; Y191-K194 PolarHBondContact O-N 3.24Å; Y191-T195 VanDerWaalsContact O-CB 3.29Å; Y191-T195 WeakPolarHBondContact O-CB 3.43Å; Y191-T195 PolarHBondContact O-N 3.23Å; Y191-T195 PolarHBondContact O-OG1 3.38Å
192I93.9Very high91.6Very high8 Ų847.9 Ų47.94%0.04124%0.244CC..Hα-helixtrans-59.7-43.8177.5-64165.2000110.2L157 F172 L188 L189 M190 T195 L196 W223 F231L157-I192 HydrophobicContact CD1-CB 4.49Å; L157-I192 HydrophobicContact CD1-CG1 3.73Å; L157-I192 HydrophobicContact CD1-CG2 4.37Å; L157-I192 HydrophobicContact CD2-CG2 4.1Å; F172-I192 HydrophobicContact CE2-CD1 3.85Å; F172-I192 HydrophobicContact CE2-CG1 4.36Å; F172-I192 HydrophobicContact CZ-CD1 4.45Å; L188-I192 HydrophobicContact CD1-CD1 3.98Å; L188-I192 HydrophobicContact CD1-CG1 4.28Å; L188-I192 HydrophobicContact CD2-CD1 4.5Å; L188-I192 HydrophobicContact CG-CD1 3.82Å; L188-I192 WeakPolarHBondContact O-CD1 3.49Å; L188-I192 WeakPolarHBondContact O-CG1 3.33Å; L188-I192 PolarHBondContact O-N 3.4Å; L189-I192 PolarHBondContact O-N 3.11Å; M190-I192 PolarHBondContact O-N 2.89Å; I192-T195 PolarHBondContact O-N 2.87Å; I192-L196 HydrophobicContact CG2-CD1 3.93Å; I192-L196 HydrophobicContact CG2-CG 4.37Å; I192-L196 WeakPolarHBondContact O-CB 3.43Å; I192-L196 VanDerWaalsContact O-CG 3.28Å; I192-L196 WeakPolarHBondContact O-CG 3.46Å; I192-L196 PolarHBondContact O-N 2.92Å; I192-W223 HydrophobicContact CD1-CH2 4.4Å; I192-F231 HydrophobicContact CB-CZ 4.49Å; I192-F231 HydrophobicContact CG2-CE1 4.37Å; I192-F231 HydrophobicContact CG2-CZ 3.68Å
193T94.1Very high92.3Very high14 Ų1444.1 Ų44.19%0.08623%0.225CC..Hα-helixtrans-63.3-48.8-179.3-56.50000110.9L189 M190 Y191 T195 L196 E197 T230 F235L189-T193 WeakPolarHBondContact O-CB 3.44Å; L189-T193 PolarHBondContact O-N 3.4Å; L189-T193 PolarHBondContact O-OG1 2.98Å; M190-T193 PolarHBondContact O-N 2.69Å; M190-T193 VanDerWaalsContact O-N 3.13Å; Y191-T193 VanDerWaalsContact C-N 3.29Å; Y191-T193 PolarHBondContact O-N 3.46Å; T193-T195 PolarHBondContact O-N 2.81Å; T193-L196 PolarHBondContact O-N 2.88Å; T193-E197 HydrophobicContact CG2-CG 4.45Å; T193-E197 VanDerWaalsContact O-CG 3.3Å; T193-E197 WeakPolarHBondContact O-CG 3.5Å; T193-E197 PolarHBondContact O-N 2.8Å; T193-T230 HydrophobicContact CG2-CG2 4.27Å; T193-F235 HydrophobicContact CG2-CE1 4.38Å; T193-F235 HydrophobicContact CG2-CZ 3.75Å
194K94.5Very high93Very high90 Ų9043.3 Ų43.339%0.39122%0.221SC..Hα-helixtrans-60.9-44.3177.9-70.5-74.2157.7-152.30112.2I144 M190 Y191 L196 E197I144-K194 HydrophobicContact CD1-CB 4.33Å; I144-K194 WeakPolarHBondContact CD1-O 3.19Å; I144-K194 HydrophobicContact CG1-CB 4.42Å; I144-K194 HydrophobicContact CG2-CB 4.15Å; M190-K194 WeakPolarHBondContact O-CB 3.45Å; M190-K194 WeakPolarHBondContact O-CG 3.48Å; M190-K194 PolarHBondContact O-N 2.88Å; Y191-K194 PolarHBondContact O-N 3.24Å; K194-L196 VanDerWaalsContact C-N 3.31Å; K194-L196 PolarHBondContact O-N 3.48Å; K194-E197 WeakPolarHBondContact CD-OE2 3.18Å; K194-E197 IonicContact NZ-OE1 2.87Å; K194-E197 IonicContact NZ-OE2 3.11Å; K194-E197 PolarHBondContact NZ-OE2 3.4Å; K194-E197 WeakPolarHBondContact O-CB 3.34Å; K194-E197 PolarHBondContact O-N 3.43Å
195T94.2Very high93.5Very high3 Ų338.9 Ų38.92%0.01820%0.197CC..Hα-helixtrans-62.6-37.6176.5-620000112L157 Y191 I192 T193 Q198 Y199L157-T195 HydrophobicContact CB-CG2 4.07Å; L157-T195 HydrophobicContact CD2-CG2 3.54Å; L157-T195 HydrophobicContact CG-CG2 4.45Å; Y191-T195 VanDerWaalsContact O-CB 3.29Å; Y191-T195 WeakPolarHBondContact O-CB 3.43Å; Y191-T195 PolarHBondContact O-N 3.23Å; Y191-T195 PolarHBondContact O-OG1 3.38Å; I192-T195 PolarHBondContact O-N 2.87Å; T193-T195 PolarHBondContact O-N 2.81Å; T195-Q198 VanDerWaalsContact O-CG 3.3Å; T195-Q198 WeakPolarHBondContact O-CG 3.43Å; T195-Q198 PolarHBondContact O-NE2 3.04Å; T195-Y199 VanDerWaalsContact O-CD2 3.24Å; T195-Y199 WeakPolarHBondContact O-CD2 3.28Å; T195-Y199 WeakPolarHBondContact O-CE2 3.34Å
196L93.8Very high93.9Very high11 Ų1138.8 Ų38.86%0.05820%0.197CC..Hα-helixtrans-78.3-30.8177.9-70.6179.4000112.6L157 I170 I192 T193 K194 Q198 Y199 V200 F231 F235L157-L196 HydrophobicContact CD2-CD2 4.28Å; L157-L196 HydrophobicContact CD2-CG 4.27Å; I170-L196 HydrophobicContact CD1-CD2 3.64Å; I170-L196 HydrophobicContact CG2-CD2 4.2Å; I192-L196 HydrophobicContact CG2-CD1 3.93Å; I192-L196 HydrophobicContact CG2-CG 4.37Å; I192-L196 WeakPolarHBondContact O-CB 3.43Å; I192-L196 VanDerWaalsContact O-CG 3.28Å; I192-L196 WeakPolarHBondContact O-CG 3.46Å; I192-L196 PolarHBondContact O-N 2.92Å; T193-L196 PolarHBondContact O-N 2.88Å; K194-L196 VanDerWaalsContact C-N 3.31Å; K194-L196 PolarHBondContact O-N 3.48Å; L196-Q198 PolarHBondContact O-N 3.33Å; L196-Y199 PolarHBondContact O-N 3.13Å; L196-V200 VanDerWaalsContact O-CG1 3.3Å; L196-V200 WeakPolarHBondContact O-CG1 3.39Å; L196-V200 PolarHBondContact O-N 2.78Å; L196-V200 VanDerWaalsContact O-N 3.17Å; L196-F231 HydrophobicContact CD1-CE1 3.98Å; L196-F231 HydrophobicContact CD1-CZ 4.24Å; L196-F235 HydrophobicContact CB-CD1 3.91Å; L196-F235 HydrophobicContact CB-CE1 3.76Å; L196-F235 HydrophobicContact CD1-CD1 4.49Å
197E94.2Very high94.1Very high81 Ų8136.8 Ų36.838%0.37919%0.188SC..Hα-helixtrans-54.6-33.8179.2-84.7173.1-178.400112.7T193 K194 Y199 V200 F235T193-E197 HydrophobicContact CG2-CG 4.45Å; T193-E197 VanDerWaalsContact O-CG 3.3Å; T193-E197 WeakPolarHBondContact O-CG 3.5Å; T193-E197 PolarHBondContact O-N 2.8Å; K194-E197 WeakPolarHBondContact CD-OE2 3.18Å; K194-E197 IonicContact NZ-OE1 2.87Å; K194-E197 IonicContact NZ-OE2 3.11Å; K194-E197 PolarHBondContact NZ-OE2 3.4Å; K194-E197 WeakPolarHBondContact O-CB 3.34Å; K194-E197 PolarHBondContact O-N 3.43Å; E197-Y199 PolarHBondContact O-N 2.83Å; E197-V200 WeakPolarHBondContact O-CG2 3.35Å; E197-V200 PolarHBondContact O-N 3.18Å; E197-F235 HydrophobicContact CG-CE1 4.13Å; E197-F235 HydrophobicContact CG-CZ 3.82Å
198Q92.6Very high94.3Very high46 Ų4636.3 Ų36.322%0.21519%0.185CC..THydrogen-bonded Turntrans-67.8-19.6176.677.8-164.3-2900113.5V140 T195 L196V140-Q198 HydrophobicContact CG1-CB 4Å; T195-Q198 VanDerWaalsContact O-CG 3.3Å; T195-Q198 WeakPolarHBondContact O-CG 3.43Å; T195-Q198 PolarHBondContact O-NE2 3.04Å; L196-Q198 PolarHBondContact O-N 3.33Å
199Y93.8Very high94.4Very high36 Ų3639.6 Ų39.614%0.14120%0.199CC..THydrogen-bonded Turntrans-105.4-13.9-177.9-55.6-68.3000113.3K168 I170 T195 L196 E197 S201 I202 Y204K168-Y199 HydrophobicContact CB-CD1 4.03Å; K168-Y199 HydrophobicContact CB-CE1 4.25Å; K168-Y199 HydrophobicContact CD-CE1 4.49Å; K168-Y199 HydrophobicContact CG-CD1 4.14Å; K168-Y199 HydrophobicContact CG-CE1 4.26Å; I170-Y199 HydrophobicContact CD1-CD1 4.41Å; I170-Y199 HydrophobicContact CD1-CD2 3.18Å; I170-Y199 HydrophobicContact CD1-CE2 3.71Å; I170-Y199 HydrophobicContact CD1-CG 3.57Å; I170-Y199 HydrophobicContact CG1-CD2 3.84Å; I170-Y199 HydrophobicContact CG1-CE2 3.86Å; I170-Y199 HydrophobicContact CG1-CG 4.25Å; T195-Y199 VanDerWaalsContact O-CD2 3.24Å; T195-Y199 WeakPolarHBondContact O-CD2 3.28Å; T195-Y199 WeakPolarHBondContact O-CE2 3.34Å; L196-Y199 PolarHBondContact O-N 3.13Å; E197-Y199 PolarHBondContact O-N 2.83Å; Y199-S201 PolarHBondContact O-N 3.4Å; Y199-S201 VanDerWaalsContact O-N 3.11Å; Y199-I202 HydrophobicContact CD1-CD1 4.26Å; Y199-I202 VanDerWaalsContact O-CG1 3.27Å; Y199-I202 WeakPolarHBondContact O-CG1 3.5Å; Y199-I202 PolarHBondContact O-N 3.45Å; Y199-I202 VanDerWaalsContact O-N 3.12Å; Y199-Y204 WeakPolarHBondContact O-CD1 3.5Å
200V93Very high94.2Very high24 Ų2440.2 Ų40.215%0.14520%0.202CC..THydrogen-bonded Turntrans-66-16.7-174.6-57.60000114.2L196 E197 F235 N238L196-V200 VanDerWaalsContact O-CG1 3.3Å; L196-V200 WeakPolarHBondContact O-CG1 3.39Å; L196-V200 PolarHBondContact O-N 2.78Å; L196-V200 VanDerWaalsContact O-N 3.17Å; E197-V200 WeakPolarHBondContact O-CG2 3.35Å; E197-V200 PolarHBondContact O-N 3.18Å; V200-F235 HydrophobicContact CG1-CB 4.33Å; V200-F235 HydrophobicContact CG1-CD1 3.23Å; V200-F235 HydrophobicContact CG1-CE1 3.48Å; V200-F235 VanDerWaalsContact CG1-CE1 3.48Å; V200-F235 HydrophobicContact CG1-CG 3.81Å; V200-F235 HydrophobicContact CG1-CZ 4.24Å; V200-N238 PolarHBondContact O-ND2 2.91Å
201S92.6Very high93.8Very high88 Ų8843.1 Ų43.162%0.61521%0.212SC*.THydrogen-bonded Turntrans-81.1-24.717755.30000112.9Y199 N238Y199-S201 PolarHBondContact O-N 3.4Å; Y199-S201 VanDerWaalsContact O-N 3.11Å; S201-N238 VanDerWaalsContact C-ND2 3.3Å; S201-N238 PolarHBondContact O-ND2 2.85Å; S201-N238 VanDerWaalsContact O-ND2 3.13Å
202I93.5Very high93.2Very high73 Ų7344.4 Ų44.437%0.37423%0.226SC..SBendtrans-112.7163.4-176.558.6173.5000111.4K168 Y199 Y204 N238K168-I202 HydrophobicContact CB-CD1 4.3Å; K168-I202 HydrophobicContact CG-CD1 3.52Å; Y199-I202 HydrophobicContact CD1-CD1 4.26Å; Y199-I202 VanDerWaalsContact O-CG1 3.27Å; Y199-I202 WeakPolarHBondContact O-CG1 3.5Å; Y199-I202 PolarHBondContact O-N 3.45Å; Y199-I202 VanDerWaalsContact O-N 3.12Å; I202-Y204 WeakPolarHBondContact O-CD1 3.32Å; I202-Y204 PolarHBondContact O-N 3.25Å; I202-N238 WeakPolarHBondContact O-CB 3.26Å
203D95.9Very high92.7Very high67 Ų6746 Ų4636%0.35823%0.234SC..  trans-72.1123.7175.8-74-17.8000111R167 K168 K240R167-D203 WeakPolarHBondContact CA-O 3.46Å; R167-D203 WeakPolarHBondContact CB-O 3.3Å; R167-D203 HydrophobicContact CG-CB 4.08Å; K168-D203 PolarHBondContact N-O 3.26Å; D203-K240 HydrophobicContact CB-CG 4.18Å; D203-K240 VanDerWaalsContact CG-NZ 3.29Å; D203-K240 WeakPolarHBondContact OD1-CE 3.33Å; D203-K240 IonicContact OD1-NZ 3.53Å; D203-K240 PolarHBondContact OD1-NZ 3.06Å; D203-K240 WeakPolarHBondContact OD2-CE 3.43Å; D203-K240 IonicContact OD2-NZ 2.69Å; D203-K240 PolarHBondContact OD2-NZ 2.87Å; D203-K240 VanDerWaalsContact OD2-NZ 3.11Å
204Y96.8Very high91.9Very high5 Ų549.2 Ų49.22%0.0225%0.254CS..EExtended strand (participates in β ladder)trans-137.2161.8-175.573.3-83.9000113.2K168 I170 Y199 I202 F235 N238 L239 K240K168-Y204 CarbonylContact O-C 3.57Å; K168-Y204 WeakPolarHBondContact O-CA 3.33Å; K168-Y204 WeakPolarHBondContact O-CB 3.44Å; I170-Y204 HydrophobicContact CD1-CD2 3.59Å; I170-Y204 HydrophobicContact CD1-CE2 4.05Å; I170-Y204 HydrophobicContact CD1-CG 4.27Å; Y199-Y204 WeakPolarHBondContact O-CD1 3.5Å; I202-Y204 WeakPolarHBondContact O-CD1 3.32Å; I202-Y204 PolarHBondContact O-N 3.25Å; Y204-F235 PolarHBondContact OH-O 3.09Å; Y204-N238 HydrophobicContact CD1-CB 4.27Å; Y204-N238 HydrophobicContact CE1-CB 4.28Å; Y204-N238 PolarHBondContact N-O 2.89Å; Y204-L239 HydrophobicContact CD2-CD1 3.83Å; Y204-L239 HydrophobicContact CE1-CB 4.17Å; Y204-L239 HydrophobicContact CE2-CB 4.17Å; Y204-L239 HydrophobicContact CE2-CD1 3.54Å; Y204-L239 HydrophobicContact CE2-CG 4.39Å; Y204-K240 PolarHBondContact O-N 3.11Å
205V96.7Very high91Very high2 Ų251.9 Ų51.91%0.01227%0.273CS..EExtended strand (participates in β ladder)trans-123.1132.7179.2172.30000108.4R167 K168 I170 I207 T241 Y243R167-V205 HydrophobicContact CB-CG2 4.38Å; K168-V205 PolarHBondContact O-N 3.41Å; I170-V205 PolarHBondContact N-O 2.69Å; V205-I207 HydrophobicContact CG1-CG1 4.4Å; V205-T241 WeakPolarHBondContact CA-O 3.5Å; V205-Y243 HydrophobicContact CG1-CD2 3.58Å; V205-Y243 HydrophobicContact CG1-CE2 3.6Å
206L96.2Very high90.3Very high30 Ų3059.7 Ų59.716%0.15731%0.306CS..EExtended strand (participates in β ladder)trans-108.8128176.6-174.562000109.5I170 F172 L239 T241 L242 Y243I170-L206 HydrophobicContact CB-CD1 3.91Å; I170-L206 HydrophobicContact CG2-CD1 3.91Å; I170-L206 CarbonylContact O-C 3.48Å; I170-L206 WeakPolarHBondContact O-CA 3.34Å; I170-L206 WeakPolarHBondContact O-CD1 3.49Å; F172-L206 HydrophobicContact CB-CD1 4.37Å; L206-L239 HydrophobicContact CB-CD1 3.64Å; L206-T241 PolarHBondContact N-O 2.76Å; L206-L242 HydrophobicContact CB-CD1 3.86Å; L206-L242 HydrophobicContact CD2-CD1 3.86Å; L206-L242 HydrophobicContact CG-CD1 3.82Å; L206-L242 CarbonylContact O-C 3.58Å; L206-L242 WeakPolarHBondContact O-CA 3.33Å; L206-Y243 PolarHBondContact O-N 2.99Å
207I96.2Very high89.6Confident33 Ų3360.2 Ų60.217%0.16931%0.309CS..EExtended strand (participates in β ladder)trans-110.4114.9175-55.4-179.2000108.1I169 I170 V171 F172 V205 F209 Y243 V245I169-I207 HydrophobicContact CG2-CD1 3.48Å; I169-I207 VanDerWaalsContact CG2-CD1 3.48Å; I169-I207 HydrophobicContact CG2-CG1 3.95Å; I170-I207 PolarHBondContact O-N 2.91Å; V171-I207 HydrophobicContact CG2-CB 4.3Å; V171-I207 HydrophobicContact CG2-CD1 4.49Å; F172-I207 PolarHBondContact N-O 3.41Å; V205-I207 HydrophobicContact CG1-CG1 4.4Å; I207-F209 HydrophobicContact CB-CE2 4.47Å; I207-F209 HydrophobicContact CG2-CD2 4.12Å; I207-F209 HydrophobicContact CG2-CE2 3.59Å; I207-F209 HydrophobicContact CG2-CZ 3.9Å; I207-Y243 CarbonylContact C-O 3.53Å; I207-Y243 WeakPolarHBondContact CA-O 3.32Å; I207-Y243 HydrophobicContact CG1-CD2 4.21Å; I207-V245 HydrophobicContact CG2-CG2 3.65Å
208Y94.8Very high88.9Confident46 Ų4663 Ų6318%0.1832%0.316CS..EExtended strand (participates in β ladder)trans-101.8108.3178.1178-114.9000110.6F172 A174 H210 Y243 I244 V245 I251F172-Y208 HydrophobicContact CB-CD2 4.12Å; F172-Y208 AromaticContact CD1-CD2 3.34Å; F172-Y208 HydrophobicContact CD1-CD2 3.34Å; F172-Y208 AromaticContact CD1-CE2 3.38Å; F172-Y208 HydrophobicContact CD1-CE2 3.38Å; F172-Y208 HydrophobicContact CE1-CD2 4.06Å; F172-Y208 AromaticContact CE1-CE2 3.62Å; F172-Y208 HydrophobicContact CE1-CE2 3.62Å; F172-Y208 AromaticContact CG-CD2 3.95Å; F172-Y208 HydrophobicContact CG-CD2 3.95Å; F172-Y208 HydrophobicContact CG-CE2 4.37Å; A174-Y208 HydrophobicContact CB-CE2 4.09Å; Y208-H210 HydrophobicContact CD1-CB 4.1Å; Y208-H210 HydrophobicContact CE1-CB 3.52Å; Y208-H210 AromaticContact CE1-CG 3.77Å; Y208-H210 AromaticContact CE1-ND1 3.41Å; Y208-H210 WeakPolarHBondContact CE1-ND1 3.4Å; Y208-H210 AromaticContact CZ-ND1 3.54Å; Y208-H210 PolarHBondContact O-N 2.77Å; Y208-H210 PolarHBondContact OH-ND1 2.87Å; Y208-Y243 PolarHBondContact N-O 3.2Å; Y208-I244 HydrophobicContact CD1-CG1 4.3Å; Y208-I244 HydrophobicContact CD1-CG2 4.02Å; Y208-V245 PolarHBondContact O-N 2.78Å; Y208-I251 HydrophobicContact CE1-CD1 4.03Å
209F93.8Very high88.4Confident74 Ų7461.9 Ų61.933%0.32531%0.313SS..EExtended strand (participates in β ladder)trans-84.6107.7169.4-67.7-86000109.2V171 F172 A174 I207 V245V171-F209 HydrophobicContact CG1-CD2 3.59Å; V171-F209 HydrophobicContact CG1-CE2 3.45Å; V171-F209 VanDerWaalsContact CG1-CE2 3.45Å; V171-F209 HydrophobicContact CG2-CE2 4.33Å; F172-F209 PolarHBondContact O-N 3.5Å; A174-F209 WeakPolarHBondContact CB-O 3.49Å; A174-F209 PolarHBondContact N-O 3Å; I207-F209 HydrophobicContact CB-CE2 4.47Å; I207-F209 HydrophobicContact CG2-CD2 4.12Å; I207-F209 HydrophobicContact CG2-CE2 3.59Å; I207-F209 HydrophobicContact CG2-CZ 3.9Å; F209-V245 HydrophobicContact CD1-CB 3.61Å; F209-V245 HydrophobicContact CD1-CG1 3.7Å; F209-V245 HydrophobicContact CD1-CG2 4.1Å; F209-V245 HydrophobicContact CE1-CB 3.83Å; F209-V245 HydrophobicContact CE1-CG1 3.68Å; F209-V245 HydrophobicContact CE1-CG2 3.89Å; F209-V245 HydrophobicContact CG-CB 4.32Å; F209-V245 HydrophobicContact CZ-CG2 4.3Å
210H89.4Confident88Confident17 Ų1767.8 Ų67.88%0.07934%0.339CS..  trans-83.1-16.6-178.5-17359.7000113.4Y208 G212 L213 V245 T248 I251Y208-H210 HydrophobicContact CD1-CB 4.1Å; Y208-H210 HydrophobicContact CE1-CB 3.52Å; Y208-H210 AromaticContact CE1-CG 3.77Å; Y208-H210 AromaticContact CE1-ND1 3.41Å; Y208-H210 WeakPolarHBondContact CE1-ND1 3.4Å; Y208-H210 AromaticContact CZ-ND1 3.54Å; Y208-H210 PolarHBondContact O-N 2.77Å; Y208-H210 PolarHBondContact OH-ND1 2.87Å; H210-G212 PolarHBondContact O-N 2.75Å; H210-L213 PolarHBondContact O-N 2.84Å; H210-V245 PolarHBondContact N-O 2.8Å; H210-V245 VanDerWaalsContact N-O 3.07Å; H210-T248 WeakPolarHBondContact CD2-CG2 3.48Å; H210-T248 PolarHBondContact CD2-OG1 2.81Å; H210-T248 VanDerWaalsContact CD2-OG1 3.27Å; H210-T248 VanDerWaalsContact NE2-CG2 3.29Å; H210-T248 WeakPolarHBondContact NE2-CG2 2.97Å; H210-T248 PolarHBondContact NE2-OG1 2.87Å; H210-I251 HydrophobicContact CB-CD1 4.06Å; H210-I251 VanDerWaalsContact CD2-CD1 3.5Å; H210-I251 WeakPolarHBondContact CD2-CD1 3.28Å; H210-I251 VanDerWaalsContact CE1-CD1 3.42Å; H210-I251 WeakPolarHBondContact CE1-CD1 3.33Å; H210-I251 VanDerWaalsContact ND1-CD1 3.33Å; H210-I251 WeakPolarHBondContact ND1-CD1 3.49Å
211F86.1Confident87.6Confident155 Ų15573.7 Ų73.768%0.6836%0.363SS*.THydrogen-bonded Turntrans-57139.4179.2-175.4-99.5000111.4C175 H246C175-F211 WeakPolarHBondContact CB-O 3.45Å; C175-F211 PolarHBondContact N-O 3.18Å; F211-H246 HydrophobicContact CB-CB 4.44Å
212G82.1Confident87.4Confident29 Ų2977.8 Ų77.830%0.29937%0.37SS..THydrogen-bonded Turntrans88.5-6.4-178.900000115.3H210 T214 N217H210-G212 PolarHBondContact O-N 2.75Å; G212-T214 PolarHBondContact O-N 3.29Å; G212-N217 PolarHBondContact O-ND2 2.96Å
213L81.7Confident87.2Confident41 Ų4175.6 Ų75.622%0.21536%0.357CS..  trans-71.9112.5171.4-156.678.2000110.3A174 L177 H210 N217 R218A174-L213 HydrophobicContact CB-CB 4.1Å; A174-L213 HydrophobicContact CB-CD1 4.06Å; L177-L213 HydrophobicContact CD1-CD1 3.87Å; H210-L213 PolarHBondContact O-N 2.84Å; L213-N217 VanDerWaalsContact CA-OD1 3.29Å; L213-N217 WeakPolarHBondContact CA-OD1 3.45Å; L213-N217 WeakPolarHBondContact CD1-OD1 3.25Å; L213-N217 WeakPolarHBondContact CG-OD1 3.35Å; L213-R218 HydrophobicContact CD2-CB 4.32Å; L213-R218 HydrophobicContact CD2-CG 4.13Å; L213-R218 HydrophobicContact CG-CB 4.34Å
214T77.7Confident86.9Confident83 Ų8376.3 Ų76.351%0.50936%0.361SS..  trans-110.5157.9177.4-54.50000109G212 K216 N217 R218G212-T214 PolarHBondContact O-N 3.29Å; T214-K216 PolarHBondContact O-N 2.97Å; T214-N217 PolarHBondContact N-OD1 3.18Å; T214-N217 PolarHBondContact O-N 3.24Å; T214-N217 PolarHBondContact O-OD1 3.49Å; T214-R218 PolarHBondContact O-N 3.43Å
215N77.1Confident86.5Confident145 Ų14578.3 Ų78.378%0.77537%0.373SS*.THydrogen-bonded Turntrans-53.1-21.8176.4-73.2-20.1000114.3
216K77.9Confident86.3Confident167 Ų16781.5 Ų81.573%0.72639%0.388SS*.THydrogen-bonded Turntrans-77.9-29.4176.7-60.5-176.1178.8-177.20114.6A179 A180 T214A179-K216 WeakPolarHBondContact CA-O 3.4Å; A180-K216 PolarHBondContact N-O 2.89Å; A180-K216 VanDerWaalsContact N-O 3.1Å; T214-K216 PolarHBondContact O-N 2.97Å
217N79Confident86.1Confident22 Ų2280.2 Ų80.212%0.11838%0.382CS..THydrogen-bonded Turntrans-106.5-3.6179.468.317.1000113.2G212 L213 T214 P219G212-N217 PolarHBondContact O-ND2 2.96Å; L213-N217 VanDerWaalsContact CA-OD1 3.29Å; L213-N217 WeakPolarHBondContact CA-OD1 3.45Å; L213-N217 WeakPolarHBondContact CD1-OD1 3.25Å; L213-N217 WeakPolarHBondContact CG-OD1 3.35Å; T214-N217 PolarHBondContact N-OD1 3.18Å; T214-N217 PolarHBondContact O-N 3.24Å; T214-N217 PolarHBondContact O-OD1 3.49Å; N217-P219 WeakPolarHBondContact O-CD 3.11Å
218R80.9Confident85.8Confident140 Ų14085.6 Ų85.653%0.52840%0.401SS..PPolyproline II helixtrans-70.5121.7179.2-176.9177.7-179.9-170.20.8109.8L213 T214L213-R218 HydrophobicContact CD2-CB 4.32Å; L213-R218 HydrophobicContact CD2-CG 4.13Å; L213-R218 HydrophobicContact CG-CB 4.34Å; T214-R218 PolarHBondContact O-N 3.43Å
219P81.2Confident85.6Confident22 Ų2292.9 Ų92.914%0.14343%0.428CS..PPolyproline II helixtrans-64.6149.3174.627.4-34.8000110.7N217 W223N217-P219 WeakPolarHBondContact O-CD 3.11Å; P219-W223 HydrophobicContact CB-CD2 3.84Å; P219-W223 HydrophobicContact CB-CE3 3.31Å; P219-W223 HydrophobicContact CB-CG 4.38Å; P219-W223 HydrophobicContact CB-CZ3 3.76Å; P219-W223 HydrophobicContact CG-CE3 3.54Å; P219-W223 HydrophobicContact CG-CH2 4.49Å; P219-W223 HydrophobicContact CG-CZ3 3.53Å
220K84.9Confident85.5Confident160 Ų16092.2 Ų92.270%0.69643%0.43SS*.PPolyproline II helixtrans-57.4145.7179.3-64.4179.4-177.7171.90110.5K222 W223 L224K220-K222 PolarHBondContact O-N 3.05Å; K220-W223 WeakPolarHBondContact O-CA 3.1Å; K220-W223 WeakPolarHBondContact O-CB 3.29Å; K220-W223 PolarHBondContact O-N 2.79Å; K220-L224 PolarHBondContact O-N 3.46Å; K220-L224 VanDerWaalsContact O-N 3.13Å
221F85.6Confident85.6Confident149 Ų14993.4 Ų93.465%0.65444%0.435SS*.Hα-helixtrans-55.9-37.6178.6-177.9-103.5000112.8W223 L224 V225F221-W223 VanDerWaalsContact C-N 3.29Å; F221-W223 PolarHBondContact O-N 3.47Å; F221-L224 WeakPolarHBondContact O-CB 3.45Å; F221-L224 PolarHBondContact O-N 2.87Å; F221-L224 VanDerWaalsContact O-N 3.11Å; F221-V225 HydrophobicContact CD1-CG2 4.07Å; F221-V225 HydrophobicContact CE1-CG2 3.63Å; F221-V225 HydrophobicContact CE2-CG2 4.38Å; F221-V225 HydrophobicContact CZ-CG2 3.81Å; F221-V225 WeakPolarHBondContact O-CG2 3.19Å; F221-V225 PolarHBondContact O-N 3.03Å
222K88.5Confident85.6Confident173 Ų17387.4 Ų87.475%0.75242%0.417SS*.Hα-helixtrans-56.9-41.3173.9-173.3-179.9178.1-1780112.3K220 V225 Q226K220-K222 PolarHBondContact O-N 3.05Å; K222-V225 PolarHBondContact O-N 2.83Å; K222-Q226 PolarHBondContact O-N 3.38Å
223W88.9Confident86Confident27 Ų2796.4 Ų96.410%0.10244%0.442CS..Hα-helixtrans-66.2-41.5175.7178.787.3000111.4H185 L188 L189 I192 P219 K220 F221 V225 Q226 A227H185-W223 VanDerWaalsContact CB-CD1 3.5Å; H185-W223 HydrophobicContact CB-CG 4.17Å; H185-W223 PolarHBondContact O-NE1 2.85Å; L188-W223 HydrophobicContact CD2-CH2 4.47Å; L188-W223 HydrophobicContact CD2-CZ2 4.24Å; L188-W223 HydrophobicContact CG-CZ2 4.47Å; L189-W223 HydrophobicContact CB-CZ2 3.93Å; L189-W223 HydrophobicContact CD1-CZ2 4.29Å; I192-W223 HydrophobicContact CD1-CH2 4.4Å; P219-W223 HydrophobicContact CB-CD2 3.84Å; P219-W223 HydrophobicContact CB-CE3 3.31Å; P219-W223 HydrophobicContact CB-CG 4.38Å; P219-W223 HydrophobicContact CB-CZ3 3.76Å; P219-W223 HydrophobicContact CG-CE3 3.54Å; P219-W223 HydrophobicContact CG-CH2 4.49Å; P219-W223 HydrophobicContact CG-CZ3 3.53Å; K220-W223 WeakPolarHBondContact O-CA 3.1Å; K220-W223 WeakPolarHBondContact O-CB 3.29Å; K220-W223 PolarHBondContact O-N 2.79Å; F221-W223 VanDerWaalsContact C-N 3.29Å; F221-W223 PolarHBondContact O-N 3.47Å; W223-V225 VanDerWaalsContact C-N 3.32Å; W223-V225 PolarHBondContact O-N 2.97Å; W223-Q226 CarbonylContact O-C 3.58Å; W223-Q226 WeakPolarHBondContact O-CB 3.41Å; W223-Q226 PolarHBondContact O-N 2.84Å; W223-Q226 VanDerWaalsContact O-N 3.13Å; W223-A227 HydrophobicContact CE3-CB 4.43Å; W223-A227 HydrophobicContact CH2-CB 4.47Å; W223-A227 HydrophobicContact CZ3-CB 4.36Å; W223-A227 WeakPolarHBondContact O-CB 3.07Å; W223-A227 PolarHBondContact O-N 3.37Å
224L88.9Confident86.4Confident83 Ų8399 Ų9944%0.43546%0.456SS..Hα-helixtrans-62.2-40.7177.8-172.565.9000112K220 F221 Q226 A227 Y228K220-L224 PolarHBondContact O-N 3.46Å; K220-L224 VanDerWaalsContact O-N 3.13Å; F221-L224 WeakPolarHBondContact O-CB 3.45Å; F221-L224 PolarHBondContact O-N 2.87Å; F221-L224 VanDerWaalsContact O-N 3.11Å; L224-Q226 VanDerWaalsContact C-N 3.35Å; L224-A227 PolarHBondContact O-N 2.95Å; L224-Y228 WeakPolarHBondContact O-CB 3.4Å; L224-Y228 PolarHBondContact O-N 3.39Å
225V90.2Very high87.1Confident46 Ų4696 Ų9628%0.27944%0.437SS..Hα-helixtrans-64-41.8174.1175.10000110.9F221 K222 W223 Y228 R229F221-V225 HydrophobicContact CD1-CG2 4.07Å; F221-V225 HydrophobicContact CE1-CG2 3.63Å; F221-V225 HydrophobicContact CE2-CG2 4.38Å; F221-V225 HydrophobicContact CZ-CG2 3.81Å; F221-V225 WeakPolarHBondContact O-CG2 3.19Å; F221-V225 PolarHBondContact O-N 3.03Å; K222-V225 PolarHBondContact O-N 2.83Å; W223-V225 VanDerWaalsContact C-N 3.32Å; W223-V225 PolarHBondContact O-N 2.97Å; V225-Y228 PolarHBondContact O-N 3.08Å; V225-R229 WeakPolarHBondContact O-CG 3.41Å; V225-R229 PolarHBondContact O-N 2.5Å
226Q91.6Very high87.7Confident69 Ų6994.1 Ų94.132%0.32242%0.419SS..Hα-helixtrans-62.3-46175.4-175.1-172.7-20.200111.6L189 K222 W223 L224 Y228 R229 T230L189-Q226 HydrophobicContact CD2-CG 4.29Å; K222-Q226 PolarHBondContact O-N 3.38Å; W223-Q226 CarbonylContact O-C 3.58Å; W223-Q226 WeakPolarHBondContact O-CB 3.41Å; W223-Q226 PolarHBondContact O-N 2.84Å; W223-Q226 VanDerWaalsContact O-N 3.13Å; L224-Q226 VanDerWaalsContact C-N 3.35Å; Q226-Y228 PolarHBondContact O-N 3.46Å; Q226-R229 PolarHBondContact O-N 3.03Å; Q226-T230 PolarHBondContact O-N 2.91Å; Q226-T230 PolarHBondContact O-OG1 3.02Å
227A92.2Very high88.4Confident4 Ų491.8 Ų91.83%0.03341%0.408CS..Hα-helixtrans-59-46.9176.600000111.1L189 W223 L224 R229 T230 F231L189-A227 HydrophobicContact CD1-CB 3.54Å; L189-A227 HydrophobicContact CD2-CB 4.26Å; W223-A227 HydrophobicContact CE3-CB 4.43Å; W223-A227 HydrophobicContact CH2-CB 4.47Å; W223-A227 HydrophobicContact CZ3-CB 4.36Å; W223-A227 WeakPolarHBondContact O-CB 3.07Å; W223-A227 PolarHBondContact O-N 3.37Å; L224-A227 PolarHBondContact O-N 2.95Å; A227-R229 VanDerWaalsContact C-N 3.28Å; A227-R229 PolarHBondContact O-N 3.32Å; A227-T230 WeakPolarHBondContact O-CB 3.33Å; A227-T230 PolarHBondContact O-N 3.43Å; A227-T230 VanDerWaalsContact O-N 3.12Å; A227-F231 HydrophobicContact CB-CE2 4.18Å; A227-F231 WeakPolarHBondContact O-CD2 3.42Å; A227-F231 WeakPolarHBondContact O-CG 3.05Å; A227-F231 PolarHBondContact O-N 3.32Å
228Y89.1Confident89.2Confident146 Ų14692 Ų9257%0.57341%0.41SS*.Hα-helixtrans-59-37.4176.3179.2-96.2000113.1L224 V225 Q226 F231 R236L224-Y228 WeakPolarHBondContact O-CB 3.4Å; L224-Y228 PolarHBondContact O-N 3.39Å; V225-Y228 PolarHBondContact O-N 3.08Å; Q226-Y228 PolarHBondContact O-N 3.46Å; Y228-F231 CarbonylContact O-C 3.58Å; Y228-F231 VanDerWaalsContact O-O 3.08Å; Y228-R236 VanDerWaalsContact CE1-NH2 3.27Å; Y228-R236 VanDerWaalsContact CZ-CZ 3.46Å; Y228-R236 PolarHBondContact O-NH2 3.34Å; Y228-R236 PolarHBondContact OH-NH1 3.1Å
229R90.9Very high89.8Confident198 Ų19887.7 Ų87.775%0.74740%0.396SS*.Hα-helixtrans-71.7-36.6175.7-72.8177.3178.7170.3-0.6112.5V225 Q226 A227 F231V225-R229 WeakPolarHBondContact O-CG 3.41Å; V225-R229 PolarHBondContact O-N 2.5Å; Q226-R229 PolarHBondContact O-N 3.03Å; A227-R229 VanDerWaalsContact C-N 3.28Å; A227-R229 PolarHBondContact O-N 3.32Å; R229-F231 VanDerWaalsContact C-N 3.32Å
230T91.8Very high90.5Very high60 Ų6091.3 Ų91.337%0.36841%0.41SS..Hα-helixtrans-63.7-41.5176.1-52.60000110.2T193 Q226 A227 G232T193-T230 HydrophobicContact CG2-CG2 4.27Å; Q226-T230 PolarHBondContact O-N 2.91Å; Q226-T230 PolarHBondContact O-OG1 3.02Å; A227-T230 WeakPolarHBondContact O-CB 3.33Å; A227-T230 PolarHBondContact O-N 3.43Å; A227-T230 VanDerWaalsContact O-N 3.12Å; T230-G232 PolarHBondContact O-N 3.16Å
231F91.2Very high90.9Very high42 Ų4285.6 Ų85.618%0.18439%0.389CS..SBendtrans-76.875.5170.7-55-47.3000111.4L189 I192 L196 A227 Y228 R229 F235 R236L189-F231 HydrophobicContact CD1-CE2 4.2Å; L189-F231 HydrophobicContact CD1-CZ 3.9Å; I192-F231 HydrophobicContact CB-CZ 4.49Å; I192-F231 HydrophobicContact CG2-CE1 4.37Å; I192-F231 HydrophobicContact CG2-CZ 3.68Å; L196-F231 HydrophobicContact CD1-CE1 3.98Å; L196-F231 HydrophobicContact CD1-CZ 4.24Å; A227-F231 HydrophobicContact CB-CE2 4.18Å; A227-F231 WeakPolarHBondContact O-CD2 3.42Å; A227-F231 WeakPolarHBondContact O-CG 3.05Å; A227-F231 PolarHBondContact O-N 3.32Å; Y228-F231 CarbonylContact O-C 3.58Å; Y228-F231 VanDerWaalsContact O-O 3.08Å; R229-F231 VanDerWaalsContact C-N 3.32Å; F231-F235 HydrophobicContact CB-CB 4.25Å; F231-F235 HydrophobicContact CB-CD2 4.3Å; F231-F235 HydrophobicContact CB-CG 4.28Å; F231-F235 AromaticContact CD1-CD1 3.9Å; F231-F235 HydrophobicContact CD1-CD1 3.9Å; F231-F235 HydrophobicContact CD1-CD2 4.11Å; F231-F235 HydrophobicContact CD1-CE1 4.08Å; F231-F235 HydrophobicContact CD1-CE2 4.27Å; F231-F235 AromaticContact CD1-CG 3.93Å; F231-F235 HydrophobicContact CD1-CG 3.93Å; F231-F235 HydrophobicContact CD1-CZ 4.27Å; F231-F235 HydrophobicContact CE1-CD1 4.5Å; F231-F235 HydrophobicContact CE1-CE1 4.4Å; F231-R236 PolarHBondContact O-NE 2.94Å; F231-R236 PolarHBondContact O-NH2 3.41Å
232G87Confident91.3Very high30 Ų3082.6 Ų82.631%0.30938%0.379SS..  trans-70.9-156177.600000114T230 N234T230-G232 PolarHBondContact O-N 3.16Å; G232-N234 VanDerWaalsContact C-N 3.3Å; G232-N234 PolarHBondContact O-N 2.85Å
233R90.1Very high91.6Very high217 Ų21779.8 Ų79.882%0.81936%0.364SS*.Hα-helixtrans-59.6-37.1-176.9-178.3178-77.2-166.8-3.3113.2F235 R236 K237R233-F235 PolarHBondContact O-N 3.47Å; R233-R236 PolarHBondContact O-N 3.02Å; R233-K237 PolarHBondContact O-N 3.25Å
234N89.7Confident91.8Very high96 Ų9681.3 Ų81.351%0.51337%0.374SS..Hα-helixtrans-64.9-35.4-173.5-66.5-27.3000113.7G232 K237G232-N234 VanDerWaalsContact C-N 3.3Å; G232-N234 PolarHBondContact O-N 2.85Å; N234-K237 WeakPolarHBondContact O-CG 3.5Å
235F92.5Very high92Very high21 Ų2179.4 Ų79.49%0.09237%0.366CS..Hα-helixtrans-74.4-33.6176.4-63.2-92000111.3T193 L196 E197 V200 Y204 F231 R233T193-F235 HydrophobicContact CG2-CE1 4.38Å; T193-F235 HydrophobicContact CG2-CZ 3.75Å; L196-F235 HydrophobicContact CB-CD1 3.91Å; L196-F235 HydrophobicContact CB-CE1 3.76Å; L196-F235 HydrophobicContact CD1-CD1 4.49Å; E197-F235 HydrophobicContact CG-CE1 4.13Å; E197-F235 HydrophobicContact CG-CZ 3.82Å; V200-F235 HydrophobicContact CG1-CB 4.33Å; V200-F235 HydrophobicContact CG1-CD1 3.23Å; V200-F235 HydrophobicContact CG1-CE1 3.48Å; V200-F235 VanDerWaalsContact CG1-CE1 3.48Å; V200-F235 HydrophobicContact CG1-CG 3.81Å; V200-F235 HydrophobicContact CG1-CZ 4.24Å; Y204-F235 PolarHBondContact OH-O 3.09Å; F231-F235 HydrophobicContact CB-CB 4.25Å; F231-F235 HydrophobicContact CB-CD2 4.3Å; F231-F235 HydrophobicContact CB-CG 4.28Å; F231-F235 AromaticContact CD1-CD1 3.9Å; F231-F235 HydrophobicContact CD1-CD1 3.9Å; F231-F235 HydrophobicContact CD1-CD2 4.11Å; F231-F235 HydrophobicContact CD1-CE1 4.08Å; F231-F235 HydrophobicContact CD1-CE2 4.27Å; F231-F235 AromaticContact CD1-CG 3.93Å; F231-F235 HydrophobicContact CD1-CG 3.93Å; F231-F235 HydrophobicContact CD1-CZ 4.27Å; F231-F235 HydrophobicContact CE1-CD1 4.5Å; F231-F235 HydrophobicContact CE1-CE1 4.4Å; R233-F235 PolarHBondContact O-N 3.47Å
236R90.5Very high92Very high105 Ų10583.2 Ų83.240%0.39638%0.38SS..Hα-helixtrans-84-28.4-172.8-59.7178.1-161-174.2-0.1113.7Y228 F231 R233 N238Y228-R236 VanDerWaalsContact CE1-NH2 3.27Å; Y228-R236 VanDerWaalsContact CZ-CZ 3.46Å; Y228-R236 PolarHBondContact O-NH2 3.34Å; Y228-R236 PolarHBondContact OH-NH1 3.1Å; F231-R236 PolarHBondContact O-NE 2.94Å; F231-R236 PolarHBondContact O-NH2 3.41Å; R233-R236 PolarHBondContact O-N 3.02Å; R236-N238 VanDerWaalsContact C-N 3.31Å; R236-N238 PolarHBondContact O-N 3.38Å
237K92.5Very high91.7Very high118 Ų11882.3 Ų82.351%0.51338%0.38SS..Hα-helixtrans-60.6-37.8-175.662172.9-171.4179.70113.4R233 N234R233-K237 PolarHBondContact O-N 3.25Å; N234-K237 WeakPolarHBondContact O-CG 3.5Å
238N94.3Very high91.4Very high27 Ų2785.2 Ų85.214%0.14440%0.398CS..Hα-helixtrans-108.5-2.8-173-68.1-12.2000113.2V200 S201 I202 Y204 R236 K240V200-N238 PolarHBondContact O-ND2 2.91Å; S201-N238 VanDerWaalsContact C-ND2 3.3Å; S201-N238 PolarHBondContact O-ND2 2.85Å; S201-N238 VanDerWaalsContact O-ND2 3.13Å; I202-N238 WeakPolarHBondContact O-CB 3.26Å; Y204-N238 HydrophobicContact CD1-CB 4.27Å; Y204-N238 HydrophobicContact CE1-CB 4.28Å; Y204-N238 PolarHBondContact N-O 2.89Å; R236-N238 VanDerWaalsContact C-N 3.31Å; R236-N238 PolarHBondContact O-N 3.38Å; N238-K240 PolarHBondContact O-N 3.02Å; N238-K240 VanDerWaalsContact O-N 3.12Å
239L94.9Very high91.2Very high48 Ų4883.2 Ų83.225%0.25140%0.401SS..EExtended strand (participates in β ladder)trans-73.1100.1169.7178.164.6000109.2Y204 L206 L242Y204-L239 HydrophobicContact CD2-CD1 3.83Å; Y204-L239 HydrophobicContact CE1-CB 4.17Å; Y204-L239 HydrophobicContact CE2-CB 4.17Å; Y204-L239 HydrophobicContact CE2-CD1 3.54Å; Y204-L239 HydrophobicContact CE2-CG 4.39Å; L206-L239 HydrophobicContact CB-CD1 3.64Å; L239-L242 HydrophobicContact CD2-CB 4.5Å
240K94.5Very high90.8Very high98 Ų9876 Ų7643%0.42639%0.388SS..EExtended strand (participates in β ladder)trans-76.6-41.1-177-62.9-57.2-176.1-164.30113.2D203 Y204 N238D203-K240 HydrophobicContact CB-CG 4.18Å; D203-K240 VanDerWaalsContact CG-NZ 3.29Å; D203-K240 WeakPolarHBondContact OD1-CE 3.33Å; D203-K240 IonicContact OD1-NZ 3.53Å; D203-K240 PolarHBondContact OD1-NZ 3.06Å; D203-K240 WeakPolarHBondContact OD2-CE 3.43Å; D203-K240 IonicContact OD2-NZ 2.69Å; D203-K240 PolarHBondContact OD2-NZ 2.87Å; D203-K240 VanDerWaalsContact OD2-NZ 3.11Å; Y204-K240 PolarHBondContact O-N 3.11Å; N238-K240 PolarHBondContact O-N 3.02Å; N238-K240 VanDerWaalsContact O-N 3.12Å
241T93.9Very high90.5Very high40 Ų4074.6 Ų74.625%0.24538%0.378CS..EExtended strand (participates in β ladder)trans-143.4133.5-179-46.10000110.6V205 L206 Y243V205-T241 WeakPolarHBondContact CA-O 3.5Å; L206-T241 PolarHBondContact N-O 2.76Å; T241-Y243 HydrophobicContact CG2-CD1 4.09Å; T241-Y243 HydrophobicContact CG2-CD2 3.87Å; T241-Y243 HydrophobicContact CG2-CE1 3.69Å; T241-Y243 HydrophobicContact CG2-CE2 3.45Å; T241-Y243 VanDerWaalsContact CG2-CE2 3.45Å; T241-Y243 HydrophobicContact CG2-CG 4.17Å
242L94Very high90.3Very high87 Ų8778.3 Ų78.346%0.45539%0.394SS..EExtended strand (participates in β ladder)trans-108.2106.7166.8174.661.2000108.5L206 L239 I244L206-L242 HydrophobicContact CB-CD1 3.86Å; L206-L242 HydrophobicContact CD2-CD1 3.86Å; L206-L242 HydrophobicContact CG-CD1 3.82Å; L206-L242 CarbonylContact O-C 3.58Å; L206-L242 WeakPolarHBondContact O-CA 3.33Å; L239-L242 HydrophobicContact CD2-CB 4.5Å; L242-I244 HydrophobicContact CG-CG1 4.38Å
243Y94.6Very high90.2Very high113 Ų11382 Ų8244%0.44341%0.406SS..EExtended strand (participates in β ladder)trans-88.3126.2173.3-66.9-72.9000109.6V205 L206 I207 Y208 T241V205-Y243 HydrophobicContact CG1-CD2 3.58Å; V205-Y243 HydrophobicContact CG1-CE2 3.6Å; L206-Y243 PolarHBondContact O-N 2.99Å; I207-Y243 CarbonylContact C-O 3.53Å; I207-Y243 WeakPolarHBondContact CA-O 3.32Å; I207-Y243 HydrophobicContact CG1-CD2 4.21Å; Y208-Y243 PolarHBondContact N-O 3.2Å; T241-Y243 HydrophobicContact CG2-CD1 4.09Å; T241-Y243 HydrophobicContact CG2-CD2 3.87Å; T241-Y243 HydrophobicContact CG2-CE1 3.69Å; T241-Y243 HydrophobicContact CG2-CE2 3.45Å; T241-Y243 VanDerWaalsContact CG2-CE2 3.45Å; T241-Y243 HydrophobicContact CG2-CG 4.17Å
244I93.6Very high89.9Confident59 Ų5975.4 Ų75.430%0.30339%0.386SS..EExtended strand (participates in β ladder)trans-104.9111.3171.5-61.3174.1000108Y208 L242 P247 I251Y208-I244 HydrophobicContact CD1-CG1 4.3Å; Y208-I244 HydrophobicContact CD1-CG2 4.02Å; L242-I244 HydrophobicContact CG-CG1 4.38Å; I244-P247 HydrophobicContact CG2-CB 3.93Å; I244-I251 HydrophobicContact CD1-CG2 4.22Å; I244-I251 HydrophobicContact CG2-CG2 4.41Å
245V93.4Very high89.7Confident43 Ų4378 Ų7826%0.26139%0.389SS..EExtended strand (participates in β ladder)trans-93.6129179.3-170.80000109I207 Y208 F209 H210I207-V245 HydrophobicContact CG2-CG2 3.65Å; Y208-V245 PolarHBondContact O-N 2.78Å; F209-V245 HydrophobicContact CD1-CB 3.61Å; F209-V245 HydrophobicContact CD1-CG1 3.7Å; F209-V245 HydrophobicContact CD1-CG2 4.1Å; F209-V245 HydrophobicContact CE1-CB 3.83Å; F209-V245 HydrophobicContact CE1-CG1 3.68Å; F209-V245 HydrophobicContact CE1-CG2 3.89Å; F209-V245 HydrophobicContact CG-CB 4.32Å; F209-V245 HydrophobicContact CZ-CG2 4.3Å; H210-V245 PolarHBondContact N-O 2.8Å; H210-V245 VanDerWaalsContact N-O 3.07Å
246H89.6Confident89.3Confident127 Ų12781.8 Ų81.859%0.58841%0.414SS*.SBendtrans54.860.7-173.7-59.2-65000114.4F211 T248F211-H246 HydrophobicContact CB-CB 4.44Å; H246-T248 PolarHBondContact O-N 2.92Å
247P86.6Confident88.8Confident50 Ų5082.2 Ų82.233%0.32542%0.423SS..  trans-62.6127175.127.2-33.7000110.7I244 I251 K252I244-P247 HydrophobicContact CG2-CB 3.93Å; P247-I251 HydrophobicContact CB-CB 4.29Å; P247-I251 HydrophobicContact CB-CG2 4Å; P247-K252 HydrophobicContact CB-CG 4.22Å; P247-K252 HydrophobicContact CG-CG 4.48Å; P247-K252 WeakPolarHBondContact O-CE 3.29Å
248T85.8Confident88.1Confident65 Ų6581.2 Ų81.240%0.39942%0.419SS..  trans-70.8163.5170.452.20000110.9H210 H246 G250 I251 K252H210-T248 WeakPolarHBondContact CD2-CG2 3.48Å; H210-T248 PolarHBondContact CD2-OG1 2.81Å; H210-T248 VanDerWaalsContact CD2-OG1 3.27Å; H210-T248 VanDerWaalsContact NE2-CG2 3.29Å; H210-T248 WeakPolarHBondContact NE2-CG2 2.97Å; H210-T248 PolarHBondContact NE2-OG1 2.87Å; H246-T248 PolarHBondContact O-N 2.92Å; T248-G250 PolarHBondContact O-N 3.27Å; T248-I251 PolarHBondContact O-N 3.03Å; T248-K252 WeakPolarHBondContact O-CG 3.41Å; T248-K252 PolarHBondContact O-N 3.07Å
249T84Confident87.3Confident104 Ų10489 Ų8964%0.63845%0.447SS*.Hα-helixtrans-52.3-38.3174.7-47.90000111.9I251 K252 I253T249-I251 PolarHBondContact O-N 3.01Å; T249-K252 PolarHBondContact O-N 3.45Å; T249-I253 HydrophobicContact CG2-CD1 4.03Å; T249-I253 VanDerWaalsContact O-CG1 3.29Å; T249-I253 WeakPolarHBondContact O-CG1 2.98Å; T249-I253 PolarHBondContact O-N 2.81Å
250G82.9Confident86.6Confident46 Ų4691.5 Ų91.547%0.47447%0.465SS..Hα-helixtrans-60.4-45.1175.900000113.2T248 I253 L254T248-G250 PolarHBondContact O-N 3.27Å; G250-I253 PolarHBondContact O-N 3.49Å; G250-L254 WeakPolarHBondContact O-CB 3.19Å; G250-L254 PolarHBondContact O-N 3.49Å
251I84.6Confident85.5Confident30 Ų3094.6 Ų94.615%0.15448%0.479CS..Hα-helixtrans-66-39.7176-68.6-178.1000111.3Y208 H210 I244 P247 T248 T249 I253 L254 W255Y208-I251 HydrophobicContact CE1-CD1 4.03Å; H210-I251 HydrophobicContact CB-CD1 4.06Å; H210-I251 VanDerWaalsContact CD2-CD1 3.5Å; H210-I251 WeakPolarHBondContact CD2-CD1 3.28Å; H210-I251 VanDerWaalsContact CE1-CD1 3.42Å; H210-I251 WeakPolarHBondContact CE1-CD1 3.33Å; H210-I251 VanDerWaalsContact ND1-CD1 3.33Å; H210-I251 WeakPolarHBondContact ND1-CD1 3.49Å; I244-I251 HydrophobicContact CD1-CG2 4.22Å; I244-I251 HydrophobicContact CG2-CG2 4.41Å; P247-I251 HydrophobicContact CB-CB 4.29Å; P247-I251 HydrophobicContact CB-CG2 4Å; T248-I251 PolarHBondContact O-N 3.03Å; T249-I251 PolarHBondContact O-N 3.01Å; I251-I253 VanDerWaalsContact C-N 3.35Å; I251-I253 PolarHBondContact O-N 3.18Å; I251-L254 WeakPolarHBondContact O-CB 3.3Å; I251-L254 PolarHBondContact O-N 2.97Å; I251-W255 WeakPolarHBondContact O-CB 3.44Å; I251-W255 PolarHBondContact O-N 2.96Å
252K87Confident84.3Confident120 Ų12097.9 Ų97.952%0.52249%0.494SS..Hα-helixtrans-61.5-43.7177.9-66.9177.6-178178.40111.8P247 T248 T249 T256P247-K252 HydrophobicContact CB-CG 4.22Å; P247-K252 HydrophobicContact CG-CG 4.48Å; P247-K252 WeakPolarHBondContact O-CE 3.29Å; T248-K252 WeakPolarHBondContact O-CG 3.41Å; T248-K252 PolarHBondContact O-N 3.07Å; T249-K252 PolarHBondContact O-N 3.45Å; K252-T256 PolarHBondContact O-N 2.8Å; K252-T256 PolarHBondContact O-OG1 3.45Å
253I85.9Confident82.2Confident109 Ų109108.2 Ų108.256%0.55953%0.527SS*.Hα-helixtrans-62.7-46.9174.8-66.6163.6000109.9T249 G250 I251 W255 T256 L257T249-I253 HydrophobicContact CG2-CD1 4.03Å; T249-I253 VanDerWaalsContact O-CG1 3.29Å; T249-I253 WeakPolarHBondContact O-CG1 2.98Å; T249-I253 PolarHBondContact O-N 2.81Å; G250-I253 PolarHBondContact O-N 3.49Å; I251-I253 VanDerWaalsContact C-N 3.35Å; I251-I253 PolarHBondContact O-N 3.18Å; I253-W255 PolarHBondContact O-N 2.98Å; I253-T256 WeakPolarHBondContact O-CB 3.29Å; I253-T256 PolarHBondContact O-N 3.26Å; I253-L257 PolarHBondContact O-N 2.73Å
254L83.9Confident81.6Confident78 Ų78108 Ų10841%0.40853%0.531SS..Hα-helixtrans-59.8-44.3179.8-168.264.3000112.1G250 I251 T256 L257 F258G250-L254 WeakPolarHBondContact O-CB 3.19Å; G250-L254 PolarHBondContact O-N 3.49Å; I251-L254 WeakPolarHBondContact O-CB 3.3Å; I251-L254 PolarHBondContact O-N 2.97Å; L254-T256 VanDerWaalsContact C-N 3.34Å; L254-T256 PolarHBondContact O-N 3.19Å; L254-L257 PolarHBondContact O-N 3.26Å; L254-F258 HydrophobicContact CD1-CD2 3.77Å; L254-F258 HydrophobicContact CD1-CE2 3.19Å; L254-F258 HydrophobicContact CD1-CZ 3.99Å; L254-F258 HydrophobicContact CD2-CD2 4.48Å; L254-F258 HydrophobicContact CD2-CE2 4.02Å; L254-F258 HydrophobicContact CG-CD2 3.62Å; L254-F258 HydrophobicContact CG-CE2 3.4Å; L254-F258 VanDerWaalsContact CG-CE2 3.4Å; L254-F258 WeakPolarHBondContact O-CD2 3.29Å; L254-F258 PolarHBondContact O-N 2.74Å
255W84.4Confident80.9Confident149 Ų149110.6 Ų110.656%0.56454%0.543SS*.Hα-helixtrans-62.9-40.8176-173.9-102.7000112.1I251 I253 L257 F258 R259 I262I251-W255 WeakPolarHBondContact O-CB 3.44Å; I251-W255 PolarHBondContact O-N 2.96Å; I253-W255 PolarHBondContact O-N 2.98Å; W255-L257 VanDerWaalsContact C-N 3.31Å; W255-L257 PolarHBondContact O-N 2.89Å; W255-F258 PolarHBondContact O-N 2.86Å; W255-R259 PolarHBondContact O-N 3.19Å; W255-I262 HydrophobicContact CH2-CD1 4.26Å; W255-I262 HydrophobicContact CZ3-CD1 4.1Å
256T84.7Confident80.2Confident101 Ų101114.3 Ų114.362%0.6256%0.559SS**Hα-helixtrans-63.8-38.9177-54.70000111.4K252 I253 L254K252-T256 PolarHBondContact O-N 2.8Å; K252-T256 PolarHBondContact O-OG1 3.45Å; I253-T256 WeakPolarHBondContact O-CB 3.29Å; I253-T256 PolarHBondContact O-N 3.26Å; L254-T256 VanDerWaalsContact C-N 3.34Å; L254-T256 PolarHBondContact O-N 3.19Å
257L79.5Confident79.7Confident114 Ų114113.6 Ų113.660%0.59756%0.557SS**Hα-helixtrans-72.6-33.7177.6-172.965.3000113I253 L254 W255 P260I253-L257 PolarHBondContact O-N 2.73Å; L254-L257 PolarHBondContact O-N 3.26Å; W255-L257 VanDerWaalsContact C-N 3.31Å; W255-L257 PolarHBondContact O-N 2.89Å; L257-P260 VanDerWaalsContact O-CD 3.28Å; L257-P260 WeakPolarHBondContact O-CD 3.45Å; L257-P260 WeakPolarHBondContact O-CG 3.33Å
258F78.1Confident79.3Confident97 Ų97117.6 Ų117.643%0.42557%0.572SS.*Hα-helixtrans-86.4-17.2179.1-75.4-55.6000114.9L254 W255 P260 F261 I262L254-F258 HydrophobicContact CD1-CD2 3.77Å; L254-F258 HydrophobicContact CD1-CE2 3.19Å; L254-F258 HydrophobicContact CD1-CZ 3.99Å; L254-F258 HydrophobicContact CD2-CD2 4.48Å; L254-F258 HydrophobicContact CD2-CE2 4.02Å; L254-F258 HydrophobicContact CG-CD2 3.62Å; L254-F258 HydrophobicContact CG-CE2 3.4Å; L254-F258 VanDerWaalsContact CG-CE2 3.4Å; L254-F258 WeakPolarHBondContact O-CD2 3.29Å; L254-F258 PolarHBondContact O-N 2.74Å; W255-F258 PolarHBondContact O-N 2.86Å; F258-P260 VanDerWaalsContact C-CD 3.41Å; F258-P260 VanDerWaalsContact C-N 3.28Å; F258-F261 HydrophobicContact CD1-CD2 4.31Å; F258-F261 WeakPolarHBondContact O-CA 3.41Å; F258-F261 PolarHBondContact O-N 3.31Å; F258-I262 HydrophobicContact CB-CD1 4.28Å; F258-I262 PolarHBondContact O-N 3.19Å; F258-I262 VanDerWaalsContact O-N 3.17Å
259R77.9Confident78.8Confident192 Ų192121.1 Ų121.173%0.72558%0.584SS**THydrogen-bonded Turntrans-46.2-42.1174.9-166.7176.1-177.8178.50.4114.3W255 F261W255-R259 PolarHBondContact O-N 3.19Å; R259-F261 VanDerWaalsContact C-N 3.31Å; R259-F261 PolarHBondContact O-N 3.48Å
260P79Confident78.4Confident99 Ų99122.3 Ų122.364%0.64358%0.58SS**THydrogen-bonded Turntrans-71.6-17.6175.726.9-36.6000115.2L257 F258L257-P260 VanDerWaalsContact O-CD 3.28Å; L257-P260 WeakPolarHBondContact O-CD 3.45Å; L257-P260 WeakPolarHBondContact O-CG 3.33Å; F258-P260 VanDerWaalsContact C-CD 3.41Å; F258-P260 VanDerWaalsContact C-N 3.28Å
261F72.9Confident78.1Confident164 Ų164128.2 Ų128.272%0.71959%0.588SS**THydrogen-bonded Turntrans-92.4-18.9179.8-68.3-82.1000113.2F258 R259 R263F258-F261 HydrophobicContact CD1-CD2 4.31Å; F258-F261 WeakPolarHBondContact O-CA 3.41Å; F258-F261 PolarHBondContact O-N 3.31Å; R259-F261 VanDerWaalsContact C-N 3.31Å; R259-F261 PolarHBondContact O-N 3.48Å; F261-R263 PolarHBondContact O-N 3.28Å
262I67.4Low77.6Confident108 Ų108136.3 Ų136.355%0.55462%0.624SS**  trans-94.482175-54.3165.3000106.4W255 F258W255-I262 HydrophobicContact CH2-CD1 4.26Å; W255-I262 HydrophobicContact CZ3-CD1 4.1Å; F258-I262 HydrophobicContact CB-CD1 4.28Å; F258-I262 PolarHBondContact O-N 3.19Å; F258-I262 VanDerWaalsContact O-N 3.17Å
263R50Low76.7Confident305 Ų305137.8 Ų137.8100%1.15163%0.633SS**  trans-92.10170.3-175.4177.5177.2118.70.5110.4F261F261-R263 PolarHBondContact O-N 3.28Å

Retrieved 263 of 263 residues in 319.7 ms (Link to these results)