A0A087XKX4_POEFO Loading...

Eomesodermin homolog a

AlphaFold DB , UniProt , Accession A0A087XKX4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 653 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M34.1Very low40.8Very low225 Ų225135.6 Ų135.6100%1.10876%0.759SS**  0113.30-59.9170.8-170.500105.1
2Q42.6Very low40.9Very low169 Ų169135.6 Ų135.679%0.7975%0.753SS**  70.7136.868.5-73.3-176-56.200111.8
3L44.1Very low40Very low131 Ų131136.2 Ų136.269%0.68676%0.755SS**  cis-152.5175.7-9.4-91160.4000105.6
4E40.7Very low39.4Very low145 Ų145136.7 Ų136.768%0.67875%0.754SS**  cis-152.3-154.16.2-142.7154.259.900106.6
5N41.5Very low40.9Very low115 Ų115134.6 Ų134.662%0.61575%0.749SS**  cis-160.3-175.3-6-139.1-35.2000105.6
6I35.5Very low40.4Very low145 Ų145138.8 Ų138.874%0.74476%0.757SS**  cis-153-172.2-4.2-164.3148.3000108.8
7L36.5Very low40Very low150 Ų150137.6 Ų137.679%0.78576%0.756SS**  trans-148.6-175.9-175.2-98173.5000111.1
8P59.8Low39.5Very low113 Ų113139.4 Ų139.473%0.73476%0.755SS**  cis-98.6-1673.138.9-28.1000113.1
9S36.4Very low39Very low104 Ų104142.3 Ų142.373%0.72776%0.755SS**  cis-162.9-178.212.5-8.20000108.4
10A40.9Very low38.4Very low92 Ų92141.8 Ų141.876%0.7675%0.753SS**  cis176.2153.2-30.400000107.3
11S37.1Very low38Very low103 Ų103142.3 Ų142.372%0.7276%0.755SS**  cis-169.3128.8-16.250.30000111.9
12I41Very low37.7Very low135 Ų135135.8 Ų135.869%0.69273%0.732SS**  trans34.6115.4147.5-28177.9000118.3L14I12-L14 HydrophobicContact CG2-CD1 3.71Å; I12-L14 HydrophobicContact CG2-CG 4.38Å
13N29.4Very low37Very low144 Ų144132.2 Ų132.277%0.7773%0.726SS**  -167.4161.580.3-85.8-90.1000110.1
14L31.5Very low36.3Very low143 Ų143130.5 Ų130.575%0.74972%0.724SS**  cis108.2148.410.2-65.3178.4000117.5I12I12-L14 HydrophobicContact CG2-CD1 3.71Å; I12-L14 HydrophobicContact CG2-CG 4.38Å
15P62.2Low35.8Very low105 Ų105130.3 Ų130.368%0.68273%0.728SS**  trans-137.8-161.7-140.545.3-26.5000116.5
16K32.3Very low35.3Very low202 Ų202129.7 Ų129.788%0.87873%0.733SS**  trans-158177.3164-107.7126.6-168.81710114
17T34.4Very low35.3Very low119 Ų119126.6 Ų126.673%0.7373%0.729SS**  trans-152.6172.3-16050.40000115.6
18F30.6Very low35Very low169 Ų169126.5 Ų126.574%0.74173%0.729SS**  trans112.4138.2155.9-76.3-71.9000122.2
19Y30.4Very low33.6Very low194 Ų194127.8 Ų127.876%0.76173%0.73SS**  trans53.6116148.3-68.9-53.6000125.7
20N27.2Very low33.3Very low133 Ų133127.5 Ų127.571%0.71173%0.728SS**  65155106.6-139.21.7000123.5
21L30.3Very low33.6Very low152 Ų152128.5 Ų128.580%0.79673%0.727SS**  trans70157.9165.9-60.2171000117.7
22S26.6Very low33.4Very low88 Ų88134.8 Ų134.862%0.61574%0.735SS**  cis-169.5150.4-25.6-1780000112.2
23S28Very low33.9Very low95 Ų95133.1 Ų133.166%0.66473%0.733SS**  trans45.8162143.865.10000125.1
24S30.2Very low34Very low94 Ų94131.5 Ų131.566%0.65773%0.732SS**  trans67.8146.1149.638.40000118.2
25D29.8Very low34Very low141 Ų141130.2 Ų130.275%0.75474%0.736SS**  cis-151.7138.4-1.7-108.7-32.5000108.1
26S31.3Very low32.5Very low102 Ų102133.5 Ų133.571%0.71374%0.742SS**  82.6151.277.3-64.40000116.1
27A34.4Very low32.5Very low80 Ų80130.8 Ų130.866%0.66174%0.736SS**  trans72.5115.6169.800000116.7
28N32.1Very low32.3Very low149 Ų149130.6 Ų130.680%0.79773%0.73SS**  85.4148.589.5-67.9-19.4000113.3
29N29.5Very low32.2Very low140 Ų140131.6 Ų131.675%0.74973%0.731SS**  cis-151.21786.2-138.1-32.2000113.7
30S29.5Very low32.2Very low98 Ų98130.1 Ų130.169%0.68573%0.731SS**  trans-72.9-174.6171-460000112.2
31P46.9Very low32.2Very low113 Ų113131.9 Ų131.973%0.73474%0.735SS**  cis-145.3-177.92.946.8-28000117.8
32R34.7Very low32.3Very low235 Ų235130 Ų13089%0.88773%0.73SS**  trans26.4167.8135.6-78.4-172.6162.9-172.6-4.1123.4
33P50.3Low32.6Very low100 Ų100132 Ų13265%0.64973%0.729SS**  cis-143.8-162.2-34.539.7-19000114
34S31.9Very low32.8Very low109 Ų109136.7 Ų136.776%0.76273%0.732SS**  trans65.9159.3151.849.60000120.1
35S30.5Very low32.9Very low117 Ų117138.2 Ų138.282%0.81874%0.738SS**  cis-163.2156.9-2047.70000113.2
36Q31.6Very low32.9Very low173 Ų173140.2 Ų140.281%0.80874%0.743SS**  trans-42.9171.3169.5-168.4178.8-2.100119.6
37L33.2Very low32.8Very low146 Ų146141.1 Ų141.176%0.76475%0.749SS**  trans96.5148.1165.5-57.7175.1000117.2
38D29.8Very low32.7Very low114 Ų114145.9 Ų145.961%0.6176%0.757SS**  cis-173.2178.8-19-167.511.2000111.3
39Y28.4Very low32.7Very low190 Ų190143 Ų14375%0.74575%0.749SS**  trans75.6171167.7-54.5-83.5000121.1
40Q29.5Very low32.7Very low164 Ų164141.8 Ų141.877%0.76675%0.751SS**  -168.8172-59.3-164.2165.6-11.100110.7
41E28.1Very low32.6Very low170 Ų170142.6 Ų142.679%0.79476%0.757SS**  trans76.9155.9161.5-70.5-150.9114.600121.5
42V32.8Very low31.7Very low113 Ų113141.5 Ų141.569%0.68576%0.758SS**  cis-166.8158.2-33.891.60000114
43E32.2Very low32.4Very low128 Ų128135.9 Ų135.960%0.59875%0.751SS**  trans61.9135.7155.8-75.7-154.614200129.6
44R32.7Very low31.5Very low194 Ų194140.4 Ų140.473%0.73276%0.761SS**  88.8141.9125.8-84.1-177.4174.9136.20.9128.3
45T30.9Very low31.4Very low127 Ų127145.2 Ų145.278%0.77977%0.768SS**  trans93.1159.514334.70000124.3
46E30.3Very low31.3Very low183 Ų183149.9 Ų149.986%0.85577%0.769SS**  trans-96.1-179.5-158.5-57.4158.9119.100112.9
47S29.8Very low31.2Very low120 Ų120148.4 Ų148.484%0.83977%0.766SS**  cis-176.5-165.145.257.20000115.6
48E33.2Very low31.1Very low181 Ų181146.8 Ų146.885%0.84677%0.767SS**  trans-65.8179.8-174.8-93.4-173.198.800119.1
49S32Very low31Very low88 Ų88144.4 Ų144.462%0.61577%0.77SS**  cis-170.3176.8-1052.60000113.5
50S28.5Very low31.2Very low115 Ų115143 Ų14380%0.80478%0.781SS**  trans77.9159.5156.890.50000118.3
51S26.6Very low31.3Very low114 Ų114138.2 Ų138.280%0.79778%0.775SS**  cis-152178.42640000112.3
52A29Very low31.4Very low91 Ų91138.5 Ų138.575%0.75278%0.782SS**  trans-137165.9175.300000110.9
53P49.4Very low31.4Very low116 Ų116136.8 Ų136.875%0.75379%0.787SS**  -161.9152.194.540.2-19.4000120.6
54K31.5Very low31.3Very low195 Ų195138.8 Ų138.885%0.84880%0.799SS**  trans29.3139.9134.2-53175.2-178.4175.70122.9
55K29.6Very low31.4Very low210 Ų210137.5 Ų137.591%0.91381%0.805SS**  -164.9162.4118.8-109.2167.2-174.71780115.3
56Y27.6Very low31.3Very low215 Ų215134.8 Ų134.884%0.84380%0.802SS**  trans-96.9179179.3-87.2-114.6000110.5
57L30.6Very low31.3Very low142 Ų142135.3 Ų135.374%0.74381%0.805SS**  179.9157.451.4-166.376.5000113.2
58S29.8Very low31.4Very low112 Ų112134.1 Ų134.178%0.78380%0.802SS**  trans60.2147.9152.353.50000121.9
59G29.3Very low31.3Very low65 Ų65134.9 Ų134.967%0.6781%0.805SS**  cis151.3155.1-1200000115.8
60V32Very low31.3Very low161 Ų161133.9 Ų133.998%0.97681%0.809SS**  trans69.7140.4163.9-168.60000116.6
61G31Very low31.4Very low63 Ų63136.1 Ų136.165%0.64981%0.812SS**  cis-170.1-164.33.200000114.3
62N31.5Very low31.6Very low176 Ų176134.4 Ų134.494%0.94180%0.8SS**  trans-96159.6-157-62.211.8000117.9
63G31.2Very low31.6Very low77 Ų77140.5 Ų140.579%0.79481%0.805SS**  trans121.7161.9143.800000117.1
64M31.6Very low30.6Very low170 Ų170141.5 Ų141.584%0.83780%0.804SS**  cis-173.1147.6-17.5-175.1153.169.300109.9
65L33.3Very low30.5Very low167 Ų167138.8 Ų138.887%0.87480%0.799SS**  trans65166.6176.1-65.9154.9000115.5
66G29.6Very low30.4Very low69 Ų69137.7 Ų137.771%0.71179%0.794SS**  cis-162.1-163.34.400000112.8
67E29.8Very low30.6Very low195 Ų195132.6 Ų132.691%0.91179%0.786SS**  trans-100.5166.3-161.4-53-179.2111.600117.6
68A32.6Very low30.7Very low94 Ų94133.8 Ų133.878%0.77779%0.793SS**  trans84.6159.3137.300000123.6
69E31.5Very low30.7Very low197 Ų197131.4 Ų131.492%0.92179%0.786SS**  trans-54.5171.2179.9-56.3164.3134.700115
70G32.2Very low31Very low67 Ų67139.7 Ų139.769%0.69180%0.797SS**  cis161.5169.91.100000111
71D30.8Very low31Very low162 Ų162141.5 Ų141.587%0.86679%0.792SS**  trans60163.7167.9-81.8-37000120.2
72S29.8Very low31Very low79 Ų79142.1 Ų142.155%0.55280%0.799SS**  cis-169.5159.3-39.1-1060000112
73Y28.9Very low31Very low219 Ų219138.9 Ų138.986%0.85979%0.789SS**  trans65162.4171.2-56.7-67.1000117.6
74N29.5Very low32Very low137 Ų137141 Ų14173%0.73379%0.789SS**  cis-150.6170.510.9-151.9-16.6000114.1
75N28.1Very low32.1Very low137 Ų137139 Ų13973%0.73379%0.786SS**  trans-40.3148.2178.7-79-84.9000120.5
76K27.9Very low32.3Very low187 Ų187138.4 Ų138.481%0.81378%0.783SS**  -179.5125.1101.7-104-170.2178-176.20118.4
77T32.3Very low32.3Very low109 Ų109138.3 Ų138.367%0.66978%0.782SS**  trans51.7149.7134.853.40000126
78D31.8Very low32.7Very low166 Ų166136.5 Ų136.589%0.88877%0.774SS**  trans77.5135.1161.7-61.6-34.6000120.5
79G30.6Very low32.6Very low63 Ų63138.9 Ų138.965%0.64977%0.774SS**  cis163.8169-10.300000115.1
80R35.1Very low32.7Very low239 Ų239136.3 Ų136.390%0.90276%0.762SS**  trans68.6153.1171.4-67.4168.2176.9178.6-1.3115.6
81K32.4Very low32.6Very low199 Ų199139.4 Ų139.487%0.86576%0.761SS**  cis-152.11670.5-109.8160.5179.4-1730105.9
82G29.8Very low32.7Very low76 Ų76137.5 Ų137.578%0.78476%0.756SS**  cis174.1176.42.300000109.7
83S32.8Very low32.8Very low107 Ų107139.7 Ų139.775%0.74877%0.771SS**  trans-137.2154.3-177.8159.60000110.7
84P50.7Low32.9Very low121 Ų121132.8 Ų132.879%0.78677%0.766SS**  trans-103.8157164.137.3-29.9000112.8
85V34.4Very low32.9Very low128 Ų128135.5 Ų135.578%0.77677%0.767SS**  trans-144.3171.6-178.4172.30000108.1
86L38Very low33.1Very low156 Ų156137.1 Ų137.182%0.81776%0.762SS**  trans107.6139.7170.8-57.8171.8000114.2
87G28.4Very low33.2Very low67 Ų67137.1 Ų137.169%0.69176%0.758SS**  cis-161.6-169.95.300000116.2
88E39.4Very low33.3Very low156 Ų156138 Ų13873%0.72976%0.759SS**  trans-72.7176.8179.553.3-9478.600113.5
89D30.6Very low33.1Very low145 Ų145137.6 Ų137.678%0.77576%0.755SS**  cis-162.8175.35.9-1349000107.3
90E33.2Very low33.2Very low143 Ų143140.2 Ų140.267%0.66876%0.755SS**  cis-164.7-164.4-10.9-146.4-80.992.200106.5
91L31.4Very low32.9Very low131 Ų131136.9 Ų136.969%0.68675%0.749SS**  trans87.6103.3157.2-57.6177000118.8
92T31.5Very low33Very low123 Ų123134.9 Ų134.976%0.75575%0.747SS**  160.8143.1102.243.30000115
93S32.6Very low33Very low124 Ų124134.7 Ų134.787%0.86775%0.746SS**  trans53.1119.2145.8-61.70000121.7
94G30.4Very low33Very low74 Ų74135.4 Ų135.476%0.76375%0.75SS**  trans-152.5145.7160.200000114.7
95R29.5Very low31.9Very low195 Ų195135 Ų13574%0.73674%0.741SS**  trans-168.2131.2155.2-101.6158.9-168.3-117.34.7108.3
96R32.3Very low31.9Very low171 Ų171137.1 Ų137.165%0.64574%0.735SS**  56.1137.190.9-50-176.2-158.9173.80.2113
97Y31.3Very low31.7Very low186 Ų186136.8 Ų136.873%0.72973%0.725SS**  cis-150.9178.237.1-97.2-74.7000115.5
98N33Very low31.7Very low128 Ų128142 Ų14268%0.68473%0.729SS**  trans-85.7161.9176.6-174.646.5000113.5
99I28.6Very low31.4Very low157 Ų157141.2 Ų141.281%0.80573%0.728SS**  trans-172.4174.7135-155.1148.8000112.5
100D32.3Very low31.4Very low119 Ų119139.4 Ų139.464%0.63673%0.727SS**  trans-113.7160.2-151.5-50.5-86.6000117.5
101E28.2Very low31.2Very low169 Ų169138 Ų13879%0.7973%0.732SS**  trans54.5152.1139.3-127.4-172.8157.500125.8
102L35.8Very low31.3Very low156 Ų156136.5 Ų136.582%0.81773%0.733SS**  trans73.3130.9158.2-57176.6000122.4
103G29.7Very low31.4Very low73 Ų73139.2 Ų139.275%0.75374%0.737SS**  123.296.1128.500000121.9
104S31Very low31.3Very low121 Ų121138.7 Ų138.785%0.84673%0.728SS**  trans49.6112.1135.6-57.30000125.4
105D28.4Very low31.2Very low112 Ų112140.3 Ų140.360%0.59973%0.728SS**  73.8118103.3-14930.6000124.1
106R34.3Very low31.4Very low173 Ų173136.2 Ų136.265%0.65373%0.73SS**  trans67.8160.7157.9-71.5174.4-77156.5-5.5119.9
107Y33.9Very low31.3Very low150 Ų150134.6 Ų134.659%0.58873%0.734SS**  cis-122.6-155.75.8-68.6-94.6000110.8I109Y107-I109 HydrophobicContact CD1-CD1 4.47Å
108F28.6Very low31.3Very low177 Ų177133 Ų13378%0.77674%0.735SS**  cis-149.3168.613-71.7-80.4000109.1
109I33.4Very low31.2Very low139 Ų139131 Ų13171%0.71374%0.736SS**  cis85.2128.624.3-62.2171.4000112.9Y107Y107-I109 HydrophobicContact CD1-CD1 4.47Å
110S30.9Very low31.2Very low107 Ų107129 Ų12975%0.74874%0.736SS**  cis-155.8156.715.3-159.20000116.5
111S29.2Very low31.9Very low112 Ų112128.8 Ų128.878%0.78374%0.741SS**  trans157.1148.4137.848.10000112
112S32.6Very low31.9Very low100 Ų100126.2 Ų126.270%0.69974%0.74SS**  cis-170.3135.2-21.752.50000112.3
113Q34.1Very low31.9Very low181 Ų181124 Ų12485%0.84674%0.738SS**  trans64.6150.3160.2-64.8-173.9-12.300118
114T29.6Very low31.9Very low112 Ų112128.6 Ų128.669%0.68774%0.744SS**  cis-162.2141.4-3.611.60000111.5
115S29.3Very low32.4Very low108 Ų108131.9 Ų131.976%0.75574%0.743SS**  trans47.2145.3148.958.30000121.9
116S32.4Very low33.1Very low110 Ų110132.6 Ų132.677%0.76976%0.755SS**  cis175.7160.7-0.545.40000109.9
117D30.3Very low33Very low137 Ų137135 Ų13573%0.73377%0.765SS**  cis-175.3179.3-28.5-151-25.7000110
118M31.4Very low33Very low153 Ų153132.6 Ų132.675%0.75478%0.776SS**  trans72.395.7157-59-61.8161.800123.6
119A30.8Very low33.1Very low85 Ų85127.4 Ų127.470%0.70277%0.773SS**  50.8122.4117.400000125.8
120S28.4Very low33.2Very low115 Ų115129.8 Ų129.880%0.80478%0.781SS**  trans70.5-168.5135.9-55.30000119.2
121P48.7Very low33.2Very low114 Ų114130.8 Ų130.874%0.7478%0.783SS**  -128174.8-84.541.3-27.2000116.8
122C26.8Very low33.4Very low116 Ų116129.3 Ų129.378%0.78479%0.785SS**  trans46.6113.4155.8-63.50000122.6
123S36.1Very low33.5Very low108 Ų108129.2 Ų129.276%0.75578%0.784SS**  trans50.4125.3134.964.50000122.9
124L31Very low33.5Very low170 Ų170126 Ų12689%0.8978%0.776SS**  trans-174.2167.3130.9-103.5161.6000113
125F40.8Very low33.7Very low190 Ų190130.5 Ų130.583%0.83378%0.782SS**  trans-86.7162.1177.1-75.4-89.9000112.9
126P42.3Very low33.8Very low128 Ų128131.2 Ų131.283%0.83178%0.782SS**  -139.9-163.3108.438.5-24.8000114.5
127Y33.3Very low33.8Very low224 Ų224131.8 Ų131.888%0.87879%0.787SS**  trans-135.9166.3-160.3-143.8-93.5000113.7
128A32.4Very low34Very low99 Ų99130.5 Ų130.582%0.81879%0.788SS**  trans72151172.600000118.2
129G31.1Very low34.1Very low68 Ų68129 Ų12970%0.70179%0.792SS**  cis168.5164.1-10.500000114.8
130Q35.7Very low34.2Very low188 Ų188128.2 Ų128.288%0.87979%0.793SS**  trans69.3156171.2-57.1-169.91300116.7
131T32.1Very low34.5Very low129 Ų129127.4 Ų127.479%0.79179%0.787SS**  cis-159.5155.15-5.70000113.6
132G31.9Very low33.9Very low80 Ų80131 Ų13183%0.82579%0.786SS**  trans81.9149.715700000118.2
133S34.3Very low34.3Very low99 Ų99134.2 Ų134.269%0.69278%0.783SS**  cis-155.8123.7-10.9179.90000107.5
134V34.4Very low35.3Very low112 Ų112134.2 Ų134.268%0.67978%0.781SS**  49.3117.985.8-171.70000112.3T136V134-T136 HydrophobicContact CG1-CG2 4.48Å
135Y35.2Very low35.3Very low207 Ų207130.5 Ų130.581%0.81277%0.774SS**  -154.2171.171.1-81.7-93.3000112.2
136T30.1Very low34.9Very low123 Ų123126.7 Ų126.776%0.75577%0.771SS**  cis-162165.6-38.326.20000108.9V134V134-T136 HydrophobicContact CG1-CG2 4.48Å
137S33.4Very low34.5Very low123 Ų123128.6 Ų128.686%0.8677%0.774SS**  trans-108.5150.8179.8172.50000114
138S34.3Very low34.4Very low110 Ų110125.9 Ų125.977%0.76977%0.768SS**  trans-156.1153.3155.894.70000108.4
139S34.3Very low34.4Very low120 Ų120132 Ų13284%0.83977%0.772SS**  cis-156.4-177.8-0.453.30000109.5
140G32.9Very low34.3Very low69 Ų69131.7 Ų131.771%0.71177%0.769SS**  trans-178.8166.5173.800000117
141S33.1Very low34.3Very low99 Ų99128.7 Ų128.769%0.69277%0.769SS**  trans177.2143.3166.4-79.60000107.5
142R37.5Very low34.4Very low189 Ų189128.7 Ų128.771%0.71377%0.769SS**  62.2122.360.1-61-163.6-69.2-167.3-5.6111.7
143Y34.7Very low34.7Very low184 Ų184132.4 Ų132.472%0.72277%0.769SS**  -172.3-166.552.5-89.4-61.2000110.2
144P56.1Low35.3Very low108 Ų108133.3 Ų133.370%0.70177%0.772SS**  cis-136.4-175.8-43.537.1-19000115.3
145A32.1Very low36Very low92 Ų92133.8 Ų133.876%0.7678%0.777SS**  trans70155.5145.400000120.4
146S30.8Very low36Very low109 Ų109128.8 Ų128.876%0.76278%0.779SS**  cis-169.3174.8-18.9-96.60000111.3
147L34.8Very low36Very low169 Ų169125.9 Ų125.989%0.88577%0.774SS**  trans84.1162.7172.4-54.2170.9000117.6
148H31.5Very low36.1Very low166 Ų166130.3 Ų130.377%0.76978%0.778SS**  -175160.8-75.9-126.770.1000108.4
149Y31.8Very low36Very low227 Ų227130.7 Ų130.789%0.8978%0.781SS**  trans66.6137.9-175.6-68.9-92000116.2
150G30.4Very low36Very low63 Ų63129.5 Ų129.565%0.64978%0.778SS**  cis168155.5-1200000114.4
151S33.8Very low36.6Very low124 Ų124132 Ų13287%0.86778%0.782SS**  trans71.8137.6164.1-73.10000119.4
152V35.7Very low36.6Very low130 Ų130133.1 Ų133.179%0.78879%0.79SS**  cis-147.6165.2-14.9-147.20000109.6
153L37.9Very low36.6Very low158 Ų158130.8 Ų130.883%0.82780%0.796SS**  trans-117.3-171.1168-62.9175.5000108.6
154P45.8Very low36.3Very low117 Ų117127.9 Ų127.976%0.7680%0.801SS**  cis-140.7-145.97.253-31.9000112.7
155P49.9Very low35.4Very low122 Ų122129 Ų12979%0.79281%0.811SS**  trans-140.7-175.4-131.837.7-11.1000118.8
156A35.1Very low35.2Very low102 Ų102128.5 Ų128.584%0.84382%0.815SS**  trans-156.2151.715000000107.6
157G31.2Very low35.1Very low63 Ų63134.4 Ų134.465%0.64982%0.821SS**  cis114.1118.21500000109.1
158F33.9Very low35Very low216 Ų216131 Ų13195%0.94781%0.811SS**  cis-144.9168.412.4-92-97.6000112.5
159S33.6Very low35.1Very low118 Ų118130.3 Ų130.383%0.82581%0.808SS**  trans-104161.6174.7-59.70000113.1
160A32.7Very low35.1Very low95 Ų95128.5 Ų128.579%0.78581%0.805SS**PPolyproline II helixtrans-69.6152.1178.200000113.7
161P46.2Very low35.1Very low122 Ų122129.2 Ų129.279%0.79281%0.812SS**PPolyproline II helixtrans-83.8133-17932.7-33.9000113
162S32.9Very low34.9Very low122 Ų122126.8 Ų126.885%0.85381%0.807SS**PPolyproline II helixtrans-97.1149.1155.452.90000109.5
163V37.6Very low34.8Very low140 Ų140126 Ų12685%0.84882%0.815SS**  trans-131.8134179.2-174.10000109.3
164C29.4Very low34.4Very low123 Ų123121.4 Ų121.483%0.83181%0.805SS**  trans-117163.7-179.756.60000112.1
165S36.5Very low33.7Very low131 Ų131127.3 Ų127.392%0.91681%0.814SS**  trans-77.3143.4-160-48.10000116.1
166G28.7Very low33Very low81 Ų81130.4 Ų130.484%0.83582%0.818SS**  trans-12680.7-178.500000115.9
167R28.7Very low32.7Very low233 Ų233135.4 Ų135.488%0.87982%0.821SS**  trans2.5124.5156.6-172.9175.4-179.1-126.15.2121.7
168S32.6Very low32.6Very low97 Ų97137 Ų13768%0.67882%0.822SS**  trans74.9159.6151.476.20000118.6
169Q32.7Very low32.8Very low152 Ų152135.8 Ų135.871%0.7182%0.819SS**  cis-157.9154.715.8-1511745000112.8
170F32.8Very low32.7Very low190 Ų190133.3 Ų133.383%0.83381%0.812SS**  trans59.4143.8175.9-63.3-79.9000117.6
171G28.7Very low33.2Very low77 Ų77135.2 Ų135.279%0.79482%0.817SS**  cis123.4126.4-4.600000112.8
172G30.7Very low32.6Very low74 Ų74133.1 Ų133.176%0.76382%0.817SS**  cis178.3-164.6-100000112.9
173A33.2Very low32.7Very low114 Ų114133.6 Ų133.694%0.94282%0.819SS**  trans71.1146-176.100000116.8
174G28.5Very low32.8Very low61 Ų61135.3 Ų135.363%0.62982%0.822SS**  cis-175.1-178.2-4.200000114.9
175Y32.9Very low33.4Very low241 Ų241139.9 Ų139.995%0.94582%0.824SS**  trans76.2115.7173.4-60.1-77000119.8
176Q34Very low33.6Very low187 Ų187139.4 Ų139.487%0.87482%0.817SS**  trans-96.8151.7164.3-54.7163.9-88.200109.9
177F29.2Very low33.7Very low207 Ų207141.2 Ų141.291%0.90882%0.817SS**  trans-172.8139.2146.1-125.3-92.7000108.2
178S29Very low34Very low96 Ų96141 Ų14167%0.67182%0.818SS**  cis-151162.9-28.3550000108.5
179Q38.7Very low34.5Very low191 Ų191141.6 Ų141.689%0.89382%0.822SS**  trans-72.3152.4178.4-79.1-72.7-5.800113.4
180G30.5Very low34.5Very low65 Ų65137.9 Ų137.967%0.6783%0.825SS**  trans-156.9115172.600000110.1
181P43.1Very low35Very low136 Ų136136.2 Ų136.288%0.88383%0.83SS**  trans-97.4154.5-162.536.3-36000114.7
182G33.9Very low35.2Very low77 Ų77135.9 Ų135.979%0.79483%0.827SS**  trans14072.215800000117.3
183C34.6Very low36Very low132 Ų132139.6 Ų139.689%0.89284%0.835SS**  trans-143.7107162.1-89.40000110.2Y185C183-Y185 PolarHBondContact O-N 2.9Å
184L41.2Very low36.1Very low176 Ų176137.7 Ų137.792%0.92183%0.826SS**  trans-94.489.1-179-80.4162.2000111.1
185Y41.1Very low37.1Very low220 Ų220143.6 Ų143.686%0.86384%0.842SS**  trans-154.1132.7156.4-114.7-79.2000110.6C183C183-Y185 PolarHBondContact O-N 2.9Å
186P40.9Very low37.2Very low121 Ų121135.3 Ų135.379%0.78683%0.829SS**PPolyproline II helixtrans-68.2138.4179.5-21.333.8000113
187S30.5Very low37.9Very low119 Ų119131.8 Ų131.883%0.83283%0.825SS**PPolyproline II helixtrans-74.8142.6170.4-65.50000111.3
188Y36Very low38.4Very low229 Ų229130.5 Ų130.590%0.89882%0.824SS**PPolyproline II helixtrans-64.4133.5176.4-126.5-106000110.8
189S41.4Very low39Very low109 Ų109131.1 Ų131.176%0.76283%0.829SS**PPolyproline II helixtrans-73.2135.6171.644.20000110.7
190G33.6Very low39.1Very low74 Ų74130 Ų13076%0.76383%0.828SS**PPolyproline II helixtrans-70.3153.7177.700000112.8G192G190-G192 PolarHBondContact O-N 3Å
191T44.2Very low39.7Very low154 Ų154132.7 Ų132.795%0.94583%0.834SS**  trans-63.4113.417746.70000112
192G32.4Very low39.7Very low71 Ų71130.3 Ų130.373%0.73283%0.834SS**  trans-107.3125.1165.800000110.8G190 G194G190-G192 PolarHBondContact O-N 3Å; G192-G194 PolarHBondContact O-N 3.49Å
193T45.9Very low39.7Very low152 Ų152131.5 Ų131.593%0.93383%0.83SS**  trans-73.4109.3175.946.90000110.8
194G36.7Very low40Very low74 Ų74130.5 Ų130.576%0.76383%0.832SS**  trans-124.7102177.400000112G192 G196G192-G194 PolarHBondContact O-N 3.49Å; G194-G196 PolarHBondContact O-N 3.12Å
195I48.5Very low40.3Very low185 Ų185125.9 Ų125.995%0.94982%0.818SS**  trans-78.2116.6170.1-24.7175.3000107.4
196G35.6Very low41.1Very low66 Ų66118.3 Ų118.368%0.6881%0.808SS**  trans-164.369.7-170.100000114G194 M198G194-G196 PolarHBondContact O-N 3.12Å; G196-M198 PolarHBondContact O-N 3.27Å
197S48.3Very low42.4Very low114 Ų114115.9 Ų115.980%0.79780%0.798SS**  trans-72.1107.1171.7-174.10000110.4
198M40.9Very low45Very low179 Ų179120.4 Ų120.488%0.88280%0.796SS**  trans-140.874.8172.9-72.1-64.8-171.500109.5G196 L200G196-M198 PolarHBondContact O-N 3.27Å; M198-L200 PolarHBondContact O-N 3.01Å
199S41.3Very low47.7Very low110 Ų110109.8 Ų109.877%0.76976%0.756SS**  trans-72.2107173.954.30000110.5
200L40.8Very low50.3Low166 Ų166109.7 Ų109.787%0.86974%0.744SS**  trans-71.6125.9177.7-159.777000110.4M198M198-L200 PolarHBondContact O-N 3.01Å
201P43.6Very low53.3Low122 Ų122107 Ų10779%0.79271%0.712SS**SBendtrans-75.8130.7176.530.7-33.2000110.3
202G41.8Very low55.9Low87 Ų87105.7 Ų105.790%0.89769%0.691SS**SBendtrans144.7-2171.900000117.6
203S33.9Very low59Low101 Ų101103 Ų10371%0.70666%0.66SS**  trans-138.1124172.9-168.40000111.7A205S203-A205 PolarHBondContact O-N 3.21Å
204A40.9Very low61.5Low112 Ų11296.8 Ų96.893%0.92662%0.622SS**  trans-77.650.3168.300000110.8G206A204-G206 PolarHBondContact O-N 3.32Å
205A48.2Very low64.3Low78 Ų7897.7 Ų97.765%0.64561%0.61SS**  trans-68.696.5170.400000108.1S203 A207S203-A205 PolarHBondContact O-N 3.21Å; A205-A207 PolarHBondContact O-N 2.85Å
206G58Low66.7Low62 Ų6293.9 Ų93.964%0.63958%0.583SS**  trans-50139.3178.600000111.3A204 R208A204-G206 PolarHBondContact O-N 3.32Å; G206-R208 PolarHBondContact O-N 3.16Å
207A68Low69.7Low69 Ų6995.5 Ų95.557%0.5758%0.582SS**  trans-56.5112-172.400000110.5A205 G248A205-A207 PolarHBondContact O-N 2.85Å; A207-G248 VanDerWaalsContact CB-O 3.27Å; A207-G248 WeakPolarHBondContact CB-O 3.47Å
208R84.2Confident72Confident214 Ų21491.7 Ų91.781%0.80855%0.552SS**  trans-74.8130176.3-80.1-172.3168.4-171.7-4.5109.3G206G206-R208 PolarHBondContact O-N 3.16Å
209A93.2Very high74.8Confident7 Ų783.2 Ų83.26%0.05851%0.51CS..  trans-63.9142.2176.700000110I246 T247 L249 I345 F365A209-I246 HydrophobicContact CB-CG2 4.42Å; A209-T247 CarbonylContact C-O 3.54Å; A209-T247 WeakPolarHBondContact CA-O 3.47Å; A209-L249 HydrophobicContact CB-CD2 3.62Å; A209-L249 HydrophobicContact CB-CG 4.36Å; A209-I345 HydrophobicContact CB-CD1 3.86Å; A209-F365 HydrophobicContact CB-CE2 4.38Å; A209-F365 HydrophobicContact CB-CZ 3.93Å; A209-F365 VanDerWaalsContact O-CE1 3.28Å; A209-F365 WeakPolarHBondContact O-CE1 3.32Å; A209-F365 VanDerWaalsContact O-CZ 3.27Å; A209-F365 WeakPolarHBondContact O-CZ 3.2Å
210Q95.8Very high77.5Confident107 Ų10781.9 Ų81.950%0.549%0.494SS..EExtended strand (participates in β ladder)trans-108.3133.7169.6-64.8175.8-1400107.4Y212 I246 T247Q210-Y212 HydrophobicContact CB-CE2 4.03Å; Q210-Y212 PolarHBondContact OE1-OH 3.3Å; Q210-I246 WeakPolarHBondContact O-CA 3.27Å; Q210-T247 WeakPolarHBondContact CB-OG1 3.41Å; Q210-T247 PolarHBondContact N-O 3.07Å; Q210-T247 PolarHBondContact O-N 3Å
211V97.8Very high80.2Confident16 Ų1679 Ų7910%0.09748%0.475CS..EExtended strand (participates in β ladder)trans-127.9129.1-175.4-178.10000109.3F244 N245 I246 L343 I345 F365 F367V211-F244 HydrophobicContact CG1-CB 3.99Å; V211-F244 HydrophobicContact CG1-CD1 3.91Å; V211-F244 HydrophobicContact CG1-CG 4.16Å; V211-N245 WeakPolarHBondContact CA-O 3.38Å; V211-I246 HydrophobicContact CG1-CG1 4.48Å; V211-I246 HydrophobicContact CG2-CG1 4.22Å; V211-I246 HydrophobicContact CG2-CG2 4.45Å; V211-L343 HydrophobicContact CG1-CD2 3.66Å; V211-L343 HydrophobicContact CG2-CD2 4.29Å; V211-I345 HydrophobicContact CG2-CD1 3.92Å; V211-F365 HydrophobicContact CB-CB 4.33Å; V211-F365 HydrophobicContact CB-CD1 3.82Å; V211-F365 HydrophobicContact CB-CD2 4.38Å; V211-F365 HydrophobicContact CB-CE1 4.28Å; V211-F365 HydrophobicContact CB-CG 3.89Å; V211-F365 HydrophobicContact CG2-CB 4.41Å; V211-F365 HydrophobicContact CG2-CD1 3.67Å; V211-F365 HydrophobicContact CG2-CD2 3.59Å; V211-F365 HydrophobicContact CG2-CE1 3.77Å; V211-F365 HydrophobicContact CG2-CE2 3.7Å; V211-F365 HydrophobicContact CG2-CG 3.59Å; V211-F365 HydrophobicContact CG2-CZ 3.8Å; V211-F367 HydrophobicContact CB-CZ 4.4Å; V211-F367 HydrophobicContact CG1-CE2 4.08Å; V211-F367 HydrophobicContact CG1-CZ 3.98Å
212Y97.9Very high82.8Confident127 Ų12773.2 Ų73.250%0.49844%0.437SS..EExtended strand (participates in β ladder)trans-117.4125.6-179.6-56.4-88.6000109.6Q210 C214 F244 N245Q210-Y212 HydrophobicContact CB-CE2 4.03Å; Q210-Y212 PolarHBondContact OE1-OH 3.3Å; Y212-C214 PolarHBondContact O-N 1.8Å; Y212-F244 VanDerWaalsContact O-CA 3.32Å; Y212-F244 WeakPolarHBondContact O-CA 3.48Å; Y212-N245 PolarHBondContact N-O 3.48Å; Y212-N245 PolarHBondContact O-N 2.82Å
213L98.1Very high85.5Confident14 Ų1472.1 Ų72.17%0.07341%0.409CS..EExtended strand (participates in β ladder)trans-71.6115.3174.6176.369.3000110.4R216 W219 F244 F367 E369 N370L213-R216 HydrophobicContact CB-CB 4.45Å; L213-R216 HydrophobicContact CD2-CB 4.07Å; L213-R216 HydrophobicContact CD2-CG 4.23Å; L213-R216 HydrophobicContact CG-CB 4.27Å; L213-W219 HydrophobicContact CD2-CB 4.12Å; L213-W219 HydrophobicContact CD2-CG 3.99Å; L213-F244 HydrophobicContact CD1-CD1 4.1Å; L213-F244 HydrophobicContact CD1-CE1 3.71Å; L213-F244 HydrophobicContact CD1-CZ 4.48Å; L213-F367 HydrophobicContact CB-CD1 3.83Å; L213-F367 HydrophobicContact CB-CE1 3.81Å; L213-F367 HydrophobicContact CB-CG 4.24Å; L213-F367 HydrophobicContact CB-CZ 4.2Å; L213-E369 HydrophobicContact CD2-CG 3.77Å; L213-E369 WeakPolarHBondContact CD2-OE1 3.1Å; L213-N370 VanDerWaalsContact CD2-ND2 3.31Å; L213-N370 WeakPolarHBondContact CD2-ND2 3.45Å
214C97.9Very high88.6Confident22 Ų2277.2 Ų77.215%0.14941%0.412CS..THydrogen-bonded Turntrans-72.7150.3172.8-65.60000110.7Y212 R216 S243 E309Y212-C214 PolarHBondContact O-N 1.8Å; C214-R216 PolarHBondContact O-N 2.92Å; C214-R216 VanDerWaalsContact O-N 3.16Å; C214-S243 WeakPolarHBondContact CB-O 3.33Å; C214-S243 PolarHBondContact N-O 3.02Å; C214-E309 VanDerWaalsContact CB-CD 3.41Å; C214-E309 HydrophobicContact CB-CG 4.16Å; C214-E309 WeakPolarHBondContact CB-OE2 3.31Å; C214-E309 PolarHBondContact SG-OE2 2.75Å
215N96.1Very high91.3Very high93 Ų9374.5 Ų74.550%0.49738%0.38SS..THydrogen-bonded Turntrans55.924.9-174.2-61.4-63.8000114.9P217 L218 W219N215-P217 VanDerWaalsContact C-N 3.31Å; N215-P217 VanDerWaalsContact O-N 3.14Å; N215-L218 HydrophobicContact CB-CB 4.49Å; N215-L218 WeakPolarHBondContact O-CB 3.19Å; N215-L218 PolarHBondContact O-N 3.29Å; N215-W219 PolarHBondContact O-N 2.76Å
216R97.6Very high93.6Very high106 Ų10674.4 Ų74.440%0.437%0.367SS..Hα-helixtrans-46.9-39.1177.5-179.1170.4172.2121.8-4.6114.9L213 C214 L218 W219 L220 E369L213-R216 HydrophobicContact CB-CB 4.45Å; L213-R216 HydrophobicContact CD2-CB 4.07Å; L213-R216 HydrophobicContact CD2-CG 4.23Å; L213-R216 HydrophobicContact CG-CB 4.27Å; C214-R216 PolarHBondContact O-N 2.92Å; C214-R216 VanDerWaalsContact O-N 3.16Å; R216-L218 VanDerWaalsContact C-N 3.3Å; R216-L218 PolarHBondContact O-N 3.29Å; R216-W219 PolarHBondContact O-N 2.99Å; R216-L220 HydrophobicContact CG-CD1 4.06Å; R216-L220 HydrophobicContact CG-CG 4.32Å; R216-L220 WeakPolarHBondContact O-CG 3.5Å; R216-L220 PolarHBondContact O-N 3.09Å; R216-E369 WeakPolarHBondContact CD-OE1 3.44Å; R216-E369 HydrophobicContact CG-CG 4.49Å; R216-E369 IonicContact CZ-OE1 3.64Å; R216-E369 IonicContact CZ-OE2 3.92Å; R216-E369 IonicContact NE-OE1 3.87Å; R216-E369 PolarHBondContact NE-OE1 3.25Å; R216-E369 VanDerWaalsContact NH1-CD 3.27Å; R216-E369 IonicContact NH1-OE1 3.75Å; R216-E369 PolarHBondContact NH1-OE1 3.04Å; R216-E369 IonicContact NH1-OE2 2.67Å; R216-E369 PolarHBondContact NH1-OE2 2.87Å; R216-E369 IonicContact NH2-OE2 3.61Å
217P98.3Very high95.5Very high99 Ų9971.5 Ų71.564%0.64334%0.337SS*.Hα-helixtrans-60.5-35.1174.9-25.836.2000114N215 K221N215-P217 VanDerWaalsContact C-N 3.31Å; N215-P217 VanDerWaalsContact O-N 3.14Å; P217-K221 PolarHBondContact O-N 3.33Å; P217-K221 VanDerWaalsContact O-N 3.15Å
218L98.2Very high97Very high34 Ų3468.2 Ų68.218%0.17831%0.309CS..Hα-helixtrans-71.6-40.8175.3-178.359.5000111.3N215 R216 L220 K221 F222 F239 P240 H390N215-L218 HydrophobicContact CB-CB 4.49Å; N215-L218 WeakPolarHBondContact O-CB 3.19Å; N215-L218 PolarHBondContact O-N 3.29Å; R216-L218 VanDerWaalsContact C-N 3.3Å; R216-L218 PolarHBondContact O-N 3.29Å; L218-L220 VanDerWaalsContact C-N 3.32Å; L218-L220 PolarHBondContact O-N 2.96Å; L218-K221 HydrophobicContact CD1-CD 4.36Å; L218-K221 WeakPolarHBondContact O-CB 3.44Å; L218-K221 PolarHBondContact O-N 2.9Å; L218-F222 HydrophobicContact CD1-CD2 4.08Å; L218-F222 HydrophobicContact CD1-CE2 3.77Å; L218-F222 HydrophobicContact CG-CD2 4.17Å; L218-F222 HydrophobicContact CG-CE2 4.07Å; L218-F222 WeakPolarHBondContact O-CD2 3.17Å; L218-F222 PolarHBondContact O-N 2.54Å; L218-F222 VanDerWaalsContact O-N 3.15Å; L218-F239 HydrophobicContact CD2-CZ 4.35Å; L218-P240 HydrophobicContact CD2-CB 4.33Å; L218-P240 HydrophobicContact CD2-CG 3.96Å; L218-P240 HydrophobicContact CG-CG 3.92Å; L218-H390 HydrophobicContact CD1-CB 3.97Å; L218-H390 WeakPolarHBondContact CD1-CD2 3.48Å; L218-H390 HydrophobicContact CD2-CB 4.41Å
219W98.6Very high97.7Very high1 Ų158.2 Ų58.20%0.00427%0.272CS..Hα-helixtrans-58.9-42.4172.5-81105.8000112.1L213 N215 R216 K221 F222 H223 T227 M229 P240 L242 E369 N370L213-W219 HydrophobicContact CD2-CB 4.12Å; L213-W219 HydrophobicContact CD2-CG 3.99Å; N215-W219 PolarHBondContact O-N 2.76Å; R216-W219 PolarHBondContact O-N 2.99Å; W219-K221 PolarHBondContact O-N 3.12Å; W219-F222 PolarHBondContact O-N 3.08Å; W219-H223 VanDerWaalsContact O-CB 3.3Å; W219-H223 WeakPolarHBondContact O-CB 3.49Å; W219-H223 PolarHBondContact O-N 3.12Å; W219-T227 HydrophobicContact CZ3-CG2 4.3Å; W219-M229 HydrophobicContact CH2-CE 3.6Å; W219-M229 HydrophobicContact CZ3-CE 3.88Å; W219-P240 HydrophobicContact CD2-CB 4.24Å; W219-P240 HydrophobicContact CD2-CG 4.32Å; W219-P240 WeakPolarHBondContact CH2-O 3.12Å; W219-P240 HydrophobicContact CZ2-CB 3.88Å; W219-P240 WeakPolarHBondContact CZ2-O 3.31Å; W219-L242 HydrophobicContact CH2-CD2 3.9Å; W219-L242 HydrophobicContact CZ2-CD2 3.65Å; W219-L242 HydrophobicContact CZ2-CG 4.29Å; W219-E369 HydrophobicContact CB-CG 4Å; W219-N370 VanDerWaalsContact CE2-ND2 3.29Å; W219-N370 HydrophobicContact CE3-CB 4.44Å; W219-N370 VanDerWaalsContact CE3-ND2 3.35Å; W219-N370 HydrophobicContact CZ3-CB 4.28Å
220L98.5Very high97.9Very high83 Ų8359.1 Ų59.144%0.43528%0.276SS..Hα-helixtrans-63.6-37.2175.4-70.1168.3000113R216 L218 H223 R224 E369R216-L220 HydrophobicContact CG-CD1 4.06Å; R216-L220 HydrophobicContact CG-CG 4.32Å; R216-L220 WeakPolarHBondContact O-CG 3.5Å; R216-L220 PolarHBondContact O-N 3.09Å; L218-L220 VanDerWaalsContact C-N 3.32Å; L218-L220 PolarHBondContact O-N 2.96Å; L220-H223 PolarHBondContact O-N 3.36Å; L220-R224 PolarHBondContact O-N 3.44Å; L220-R224 VanDerWaalsContact O-N 3.13Å; L220-E369 HydrophobicContact CD2-CB 3.82Å; L220-E369 HydrophobicContact CD2-CG 4.32Å; L220-E369 HydrophobicContact CG-CB 4.44Å
221K98.3Very high98Very high106 Ų10654.1 Ų54.146%0.46125%0.252SS..Hα-helixtrans-57.9-50.7171.2-70.9-173-175.6-173.20111.3P217 L218 W219 H225 L386 H390P217-K221 PolarHBondContact O-N 3.33Å; P217-K221 VanDerWaalsContact O-N 3.15Å; L218-K221 HydrophobicContact CD1-CD 4.36Å; L218-K221 WeakPolarHBondContact O-CB 3.44Å; L218-K221 PolarHBondContact O-N 2.9Å; W219-K221 PolarHBondContact O-N 3.12Å; K221-H225 PolarHBondContact O-CD2 3.06Å; K221-L386 HydrophobicContact CD-CD2 4.5Å; K221-H390 PolarHBondContact NZ-NE2 2.73Å
222F98.5Very high97.9Very high0 Ų055.8 Ų55.80%026%0.262CS..Hα-helixtrans-66-41.7179.4-82.1-73.1000112.6L218 W219 R224 H225 Q226 T227 F239 P240 I383 L386 K387L218-F222 HydrophobicContact CD1-CD2 4.08Å; L218-F222 HydrophobicContact CD1-CE2 3.77Å; L218-F222 HydrophobicContact CG-CD2 4.17Å; L218-F222 HydrophobicContact CG-CE2 4.07Å; L218-F222 WeakPolarHBondContact O-CD2 3.17Å; L218-F222 PolarHBondContact O-N 2.54Å; L218-F222 VanDerWaalsContact O-N 3.15Å; W219-F222 PolarHBondContact O-N 3.08Å; F222-R224 VanDerWaalsContact C-N 3.3Å; F222-R224 PolarHBondContact O-N 3.01Å; F222-H225 PolarHBondContact O-N 3.43Å; F222-H225 VanDerWaalsContact O-N 3.11Å; F222-Q226 PolarHBondContact O-N 3.45Å; F222-T227 VanDerWaalsContact C-OG1 3.28Å; F222-T227 HydrophobicContact CB-CG2 4.08Å; F222-T227 PolarHBondContact O-N 2.82Å; F222-T227 VanDerWaalsContact O-N 3.16Å; F222-T227 PolarHBondContact O-OG1 2.91Å; F222-F239 HydrophobicContact CE2-CD1 4.37Å; F222-F239 AromaticContact CE2-CE1 3.89Å; F222-F239 HydrophobicContact CE2-CE1 3.89Å; F222-F239 HydrophobicContact CZ-CD1 4.13Å; F222-F239 AromaticContact CZ-CE1 3.86Å; F222-F239 HydrophobicContact CZ-CE1 3.86Å; F222-P240 VanDerWaalsContact CD2-CD 3.48Å; F222-P240 HydrophobicContact CD2-CG 3.46Å; F222-P240 VanDerWaalsContact CD2-CG 3.46Å; F222-P240 HydrophobicContact CE2-CG 3.59Å; F222-P240 HydrophobicContact CG-CG 4.44Å; F222-I383 HydrophobicContact CD1-CD1 3.88Å; F222-I383 HydrophobicContact CD1-CG2 4.44Å; F222-I383 HydrophobicContact CE1-CG2 4.44Å; F222-L386 HydrophobicContact CD1-CB 4.06Å; F222-L386 HydrophobicContact CD1-CD1 4.27Å; F222-L386 HydrophobicContact CE1-CB 3.4Å; F222-L386 HydrophobicContact CE1-CD1 4.43Å; F222-L386 HydrophobicContact CZ-CB 3.67Å; F222-L386 WeakPolarHBondContact CZ-O 3.45Å; F222-K387 HydrophobicContact CE1-CD 3.58Å; F222-K387 HydrophobicContact CE1-CG 4.28Å; F222-K387 HydrophobicContact CZ-CD 3.83Å
223H98.3Very high97.6Very high64 Ų6457.5 Ų57.530%0.29627%0.272SS..Hα-helixtrans-61.3-38.3-178.3-171.677.8000112.3W219 L220 H225 Q226 T227 P368 E369W219-H223 VanDerWaalsContact O-CB 3.3Å; W219-H223 WeakPolarHBondContact O-CB 3.49Å; W219-H223 PolarHBondContact O-N 3.12Å; L220-H223 PolarHBondContact O-N 3.36Å; H223-H225 PolarHBondContact O-N 3Å; H223-Q226 PolarHBondContact O-N 3.29Å; H223-T227 WeakPolarHBondContact CA-OG1 3.34Å; H223-T227 PolarHBondContact N-OG1 3.31Å; H223-P368 PolarHBondContact CE1-O 3.33Å; H223-P368 PolarHBondContact ND1-O 3.33Å; H223-E369 HydrophobicContact CB-CB 4.23Å
224R97.8Very high97.3Very high207 Ų20764.5 Ų64.578%0.78131%0.305SS*.Hα-helixtrans-57.1-31.3175.5176.4178.316792.90113.6L220 F222L220-R224 PolarHBondContact O-N 3.44Å; L220-R224 VanDerWaalsContact O-N 3.13Å; F222-R224 VanDerWaalsContact C-N 3.3Å; F222-R224 PolarHBondContact O-N 3.01Å
225H97.3Very high97Very high55 Ų5564 Ų6426%0.25530%0.303SS..THydrogen-bonded Turntrans-102.616.4178.7-63.7-103.2000112.4K221 F222 H223 N380 D382 I383K221-H225 PolarHBondContact O-CD2 3.06Å; F222-H225 PolarHBondContact O-N 3.43Å; F222-H225 VanDerWaalsContact O-N 3.11Å; H223-H225 PolarHBondContact O-N 3Å; H225-N380 PolarHBondContact O-ND2 2.77Å; H225-D382 HydrophobicContact CB-CB 4.31Å; H225-D382 IonicContact CE1-OD2 3.48Å; H225-D382 PolarHBondContact CE1-OD2 2.62Å; H225-D382 IonicContact CG-OD2 3.3Å; H225-D382 VanDerWaalsContact ND1-CB 3.34Å; H225-D382 WeakPolarHBondContact ND1-CB 3.08Å; H225-D382 IonicContact ND1-OD2 3.99Å; H225-D382 PolarHBondContact ND1-OD2 3.14Å; H225-I383 HydrophobicContact CB-CD1 3.64Å; H225-I383 HydrophobicContact CB-CG1 4.03Å; H225-I383 WeakPolarHBondContact O-CG1 3.4Å
226Q97.6Very high97Very high77 Ų7765.8 Ų65.836%0.3630%0.302SS..  trans58.182.7-174.5-57.7179.5-83.400112.5F222 H223 E228F222-Q226 PolarHBondContact O-N 3.45Å; H223-Q226 PolarHBondContact O-N 3.29Å; Q226-E228 PolarHBondContact O-N 3.15Å
227T98.6Very high97Very high1 Ų167.4 Ų67.41%0.00631%0.309CS..  trans-38.4123.3-176.9-48.30000113.4W219 F222 H223 M229 Q371 F372 I373W219-T227 HydrophobicContact CZ3-CG2 4.3Å; F222-T227 VanDerWaalsContact C-OG1 3.28Å; F222-T227 HydrophobicContact CB-CG2 4.08Å; F222-T227 PolarHBondContact O-N 2.82Å; F222-T227 VanDerWaalsContact O-N 3.16Å; F222-T227 PolarHBondContact O-OG1 2.91Å; H223-T227 WeakPolarHBondContact CA-OG1 3.34Å; H223-T227 PolarHBondContact N-OG1 3.31Å; T227-M229 HydrophobicContact CG2-CE 3.97Å; T227-Q371 WeakPolarHBondContact CB-O 3.32Å; T227-Q371 PolarHBondContact OG1-O 3.16Å; T227-F372 HydrophobicContact CG2-CB 3.83Å; T227-F372 CarbonylContact O-C 3.44Å; T227-F372 WeakPolarHBondContact O-CA 3.46Å; T227-F372 VanDerWaalsContact O-CB 3.24Å; T227-F372 WeakPolarHBondContact O-CB 3.32Å; T227-I373 PolarHBondContact O-N 3.01Å
228E98.6Very high97Very high0 Ų063.1 Ų63.10%028%0.28CS..EExtended strand (participates in β ladder)trans-105.7142.4171.4-56.4177.6-172.300111Q226 W276 I373 V375 Y378 Q379 N380 I383 K387Q226-E228 PolarHBondContact O-N 3.15Å; E228-W276 HydrophobicContact CG-CZ2 4.17Å; E228-W276 WeakPolarHBondContact OE1-CZ2 3.31Å; E228-W276 PolarHBondContact OE1-NE1 3.08Å; E228-I373 WeakPolarHBondContact CA-O 3.24Å; E228-V375 HydrophobicContact CB-CG2 3.98Å; E228-Y378 HydrophobicContact CB-CD1 3.95Å; E228-Y378 HydrophobicContact CB-CE1 4.28Å; E228-Y378 VanDerWaalsContact OE2-CA 3.23Å; E228-Y378 WeakPolarHBondContact OE2-CA 3.23Å; E228-Q379 PolarHBondContact OE2-N 3.48Å; E228-N380 WeakPolarHBondContact OE1-CB 3.4Å; E228-N380 PolarHBondContact OE1-N 3.4Å; E228-I383 HydrophobicContact CB-CG2 3.96Å; E228-I383 HydrophobicContact CG-CG1 4.36Å; E228-I383 HydrophobicContact CG-CG2 4.24Å; E228-K387 VanDerWaalsContact O-CE 3.32Å; E228-K387 WeakPolarHBondContact O-CE 3.48Å; E228-K387 PolarHBondContact O-NZ 3.44Å
229M98.6Very high97Very high3 Ų362.7 Ų62.72%0.01528%0.277CS..EExtended strand (participates in β ladder)trans-124.9127.1173.5-66-65.4-174.800110.8W219 T227 M238 P240 L317 F372 I373 A374 V375W219-M229 HydrophobicContact CH2-CE 3.6Å; W219-M229 HydrophobicContact CZ3-CE 3.88Å; T227-M229 HydrophobicContact CG2-CE 3.97Å; M229-M238 HydrophobicContact CE-CB 4.17Å; M229-M238 HydrophobicContact SD-CB 4.05Å; M229-M238 HydrophobicContact SD-CG 4.43Å; M229-P240 WeakPolarHBondContact CE-O 3.16Å; M229-L317 HydrophobicContact CB-CD1 3.86Å; M229-L317 HydrophobicContact CG-CD1 4.38Å; M229-F372 HydrophobicContact CB-CD2 3.56Å; M229-F372 HydrophobicContact CB-CE2 3.81Å; M229-F372 HydrophobicContact CB-CG 4.15Å; M229-F372 HydrophobicContact CG-CB 3.84Å; M229-F372 HydrophobicContact CG-CD1 4.01Å; M229-F372 HydrophobicContact CG-CD2 3.47Å; M229-F372 VanDerWaalsContact CG-CD2 3.47Å; M229-F372 HydrophobicContact CG-CE1 4.43Å; M229-F372 HydrophobicContact CG-CE2 3.96Å; M229-F372 HydrophobicContact CG-CG 3.51Å; M229-F372 HydrophobicContact CG-CZ 4.41Å; M229-I373 PolarHBondContact N-O 2.9Å; M229-A374 WeakPolarHBondContact O-CA 3.29Å; M229-V375 PolarHBondContact O-N 2.89Å
230I98.3Very high96.9Very high27 Ų2762.9 Ų62.914%0.13828%0.278CS..EExtended strand (participates in β ladder)trans-72133178.5-64.9-76.2000110.3T232 R236 V375 Y378I230-T232 HydrophobicContact CG2-CG2 3.83Å; I230-R236 HydrophobicContact CB-CG 4.09Å; I230-R236 HydrophobicContact CG2-CB 4.32Å; I230-R236 HydrophobicContact CG2-CG 3.95Å; I230-R236 WeakPolarHBondContact O-CB 3.33Å; I230-V375 CarbonylContact C-O 3.55Å; I230-V375 VanDerWaalsContact CA-O 3.25Å; I230-V375 WeakPolarHBondContact CA-O 3.43Å; I230-V375 HydrophobicContact CD1-CG2 4.12Å; I230-Y378 HydrophobicContact CD1-CD1 4.02Å; I230-Y378 HydrophobicContact CD1-CD2 4.14Å; I230-Y378 HydrophobicContact CD1-CE1 3.94Å; I230-Y378 HydrophobicContact CD1-CE2 4.07Å; I230-Y378 HydrophobicContact CD1-CG 4.1Å; I230-Y378 HydrophobicContact CG1-CD1 4.16Å; I230-Y378 HydrophobicContact CG1-CD2 4.39Å; I230-Y378 HydrophobicContact CG1-CE1 3.55Å; I230-Y378 HydrophobicContact CG1-CE2 3.82Å; I230-Y378 WeakPolarHBondContact CG1-OH 3.33Å
231I96.7Very high96.9Very high2 Ų262.7 Ų62.71%0.0127%0.274CS..  trans-117.2137.9171.769.1178.7000110.7L317 N319 L333 A374 V375 T376I231-L317 HydrophobicContact CG2-CB 3.76Å; I231-L317 HydrophobicContact CG2-CD1 4.49Å; I231-N319 HydrophobicContact CD1-CB 3.71Å; I231-N319 HydrophobicContact CG1-CB 4.04Å; I231-L333 HydrophobicContact CG2-CD1 4.47Å; I231-A374 HydrophobicContact CD1-CB 4.27Å; I231-A374 HydrophobicContact CG2-CB 3.96Å; I231-V375 PolarHBondContact N-O 3.37Å; I231-T376 HydrophobicContact CG1-CG2 4.45Å
232T95.4Very high96.9Very high50 Ų5057.6 Ų57.631%0.30725%0.252SS..  trans-141.3160.8-177.869.30000112.5I230 Q234 G235 R236 T318I230-T232 HydrophobicContact CG2-CG2 3.83Å; T232-Q234 VanDerWaalsContact C-N 3.26Å; T232-Q234 PolarHBondContact O-N 3.31Å; T232-G235 PolarHBondContact O-N 2.75Å; T232-G235 PolarHBondContact OG1-N 3.04Å; T232-R236 HydrophobicContact CG2-CB 4.21Å; T232-T318 VanDerWaalsContact O-CA 3.3Å; T232-T318 WeakPolarHBondContact O-CA 3.42Å; T232-T318 VanDerWaalsContact O-CB 3.25Å; T232-T318 WeakPolarHBondContact O-CB 3.49Å; T232-T318 PolarHBondContact O-OG1 2.83Å
233K91.9Very high96.9Very high164 Ų16457.7 Ų57.771%0.71325%0.252SS*.THydrogen-bonded Turntrans-56-34.7179-172.9175.8179.4179.10113.8N319K233-N319 PolarHBondContact N-OD1 3.17Å
234Q91.5Very high96.9Very high161 Ų16154.8 Ų54.875%0.75224%0.239SC*.THydrogen-bonded Turntrans-90.2-2.2178.1-64.7-176.9-3.400114.4T232 K316T232-Q234 VanDerWaalsContact C-N 3.26Å; T232-Q234 PolarHBondContact O-N 3.31Å; Q234-K316 PolarHBondContact O-NZ 3.21Å
235G93.4Very high96.9Very high10 Ų1048 Ų4810%0.10322%0.218CC..  trans78.8125.8-175.400000113.6T232 L317T232-G235 PolarHBondContact O-N 2.75Å; T232-G235 PolarHBondContact OG1-N 3.04Å; G235-L317 WeakPolarHBondContact CA-O 3.44Å
236R95.9Very high96.9Very high131 Ų13145.4 Ų45.449%0.49421%0.206SC..EExtended strand (participates in β ladder)trans-110.8136178.9-175.367.8173.9-175.4-2.5110.3I230 T232 K316 L317I230-R236 HydrophobicContact CB-CG 4.09Å; I230-R236 HydrophobicContact CG2-CB 4.32Å; I230-R236 HydrophobicContact CG2-CG 3.95Å; I230-R236 WeakPolarHBondContact O-CB 3.33Å; T232-R236 HydrophobicContact CG2-CB 4.21Å; R236-K316 CarbonylContact O-C 3.58Å; R236-K316 VanDerWaalsContact O-CA 3.32Å; R236-K316 WeakPolarHBondContact O-CA 3.48Å; R236-L317 PolarHBondContact N-O 3.12Å; R236-L317 PolarHBondContact O-N 3.28Å
237R96.6Very high96.9Very high140 Ų14044 Ų4453%0.52820%0.203SC..EExtended strand (participates in β ladder)trans-66.5143.1174-73.4176.4176.6174.22110.9G313 L315 K316R237-G313 WeakPolarHBondContact CD-O 3.39Å; R237-G313 PolarHBondContact NE-O 2.92Å; R237-L315 WeakPolarHBondContact CA-O 3.34Å; R237-K316 HydrophobicContact CG-CG 4.29Å
238M97.8Very high96.7Very high10 Ų1045.4 Ų45.45%0.04922%0.218CC..  trans-65.4147174.1-61.7-174-59.400111.5M229 P240 L242 I261 L315 L317M229-M238 HydrophobicContact CE-CB 4.17Å; M229-M238 HydrophobicContact SD-CB 4.05Å; M229-M238 HydrophobicContact SD-CG 4.43Å; M238-P240 CarbonylContact C-O 3.49Å; M238-L242 HydrophobicContact CE-CB 4.22Å; M238-L242 HydrophobicContact CE-CD1 3.76Å; M238-L242 HydrophobicContact CE-CG 3.7Å; M238-L242 HydrophobicContact SD-CD1 4.49Å; M238-I261 HydrophobicContact SD-CD1 4.47Å; M238-L315 HydrophobicContact CE-CB 4.3Å; M238-L315 HydrophobicContact CE-CD1 3.93Å; M238-L315 HydrophobicContact CE-CD2 3.87Å; M238-L315 HydrophobicContact CE-CG 4.26Å; M238-L315 HydrophobicContact CG-CD2 4.33Å; M238-L315 HydrophobicContact SD-CD2 4.05Å; M238-L317 HydrophobicContact CG-CD1 3.76Å; M238-L317 HydrophobicContact CG-CD2 4.4Å; M238-L317 HydrophobicContact CG-CG 3.9Å; M238-L317 HydrophobicContact SD-CD1 4.2Å; M238-L317 HydrophobicContact SD-CD2 4.36Å; M238-L317 HydrophobicContact SD-CG 4.43Å
239F98.3Very high96.5Very high25 Ų2545.9 Ų45.911%0.1122%0.221CC..SBendtrans-143.2121.5165.9-173.6-88.5000111.1L218 F222 K387 H390 N391L218-F239 HydrophobicContact CD2-CZ 4.35Å; F222-F239 HydrophobicContact CE2-CD1 4.37Å; F222-F239 AromaticContact CE2-CE1 3.89Å; F222-F239 HydrophobicContact CE2-CE1 3.89Å; F222-F239 HydrophobicContact CZ-CD1 4.13Å; F222-F239 AromaticContact CZ-CE1 3.86Å; F222-F239 HydrophobicContact CZ-CE1 3.86Å; F239-K387 HydrophobicContact CD1-CD 3.87Å; F239-K387 PolarHBondContact O-NZ 2.87Å; F239-H390 HydrophobicContact CE1-CB 3.96Å; F239-H390 HydrophobicContact CZ-CB 3.9Å; F239-H390 VanDerWaalsContact CZ-O 3.26Å; F239-H390 WeakPolarHBondContact CZ-O 3.41Å; F239-N391 HydrophobicContact CD1-CB 3.89Å; F239-N391 HydrophobicContact CD2-CB 3.97Å; F239-N391 HydrophobicContact CE1-CB 3.82Å; F239-N391 HydrophobicContact CE2-CB 3.91Å; F239-N391 HydrophobicContact CG-CB 3.98Å; F239-N391 HydrophobicContact CZ-CB 3.85Å
240P98.1Very high96.2Very high5 Ų549.4 Ų49.43%0.03224%0.239CC..SBendcis-58.8154.8-7.4-19.232.8000111.3L218 W219 F222 M229 M238L218-P240 HydrophobicContact CD2-CB 4.33Å; L218-P240 HydrophobicContact CD2-CG 3.96Å; L218-P240 HydrophobicContact CG-CG 3.92Å; W219-P240 HydrophobicContact CD2-CB 4.24Å; W219-P240 HydrophobicContact CD2-CG 4.32Å; W219-P240 WeakPolarHBondContact CH2-O 3.12Å; W219-P240 HydrophobicContact CZ2-CB 3.88Å; W219-P240 WeakPolarHBondContact CZ2-O 3.31Å; F222-P240 VanDerWaalsContact CD2-CD 3.48Å; F222-P240 HydrophobicContact CD2-CG 3.46Å; F222-P240 VanDerWaalsContact CD2-CG 3.46Å; F222-P240 HydrophobicContact CE2-CG 3.59Å; F222-P240 HydrophobicContact CG-CG 4.44Å; M229-P240 WeakPolarHBondContact CE-O 3.16Å; M238-P240 CarbonylContact C-O 3.49Å
241F97.6Very high96.1Very high78 Ų7853.2 Ų53.234%0.34226%0.259SS..PPolyproline II helixtrans-84.7153.3171.755.4-92.4000110
242L98.3Very high96Very high0 Ų058.3 Ų58.30%029%0.291CS..PPolyproline II helixtrans-71.4134.3173.5-62.2170.4000108.6W219 M238 F244 V259 F312 P341 N370W219-L242 HydrophobicContact CH2-CD2 3.9Å; W219-L242 HydrophobicContact CZ2-CD2 3.65Å; W219-L242 HydrophobicContact CZ2-CG 4.29Å; M238-L242 HydrophobicContact CE-CB 4.22Å; M238-L242 HydrophobicContact CE-CD1 3.76Å; M238-L242 HydrophobicContact CE-CG 3.7Å; M238-L242 HydrophobicContact SD-CD1 4.49Å; L242-F244 HydrophobicContact CB-CE2 3.8Å; L242-F244 HydrophobicContact CB-CZ 3.91Å; L242-F244 HydrophobicContact CD2-CZ 4.22Å; L242-F244 HydrophobicContact CG-CZ 4.48Å; L242-V259 HydrophobicContact CD1-CG1 3.85Å; L242-V259 HydrophobicContact CD1-CG2 4.19Å; L242-F312 HydrophobicContact CB-CB 4.16Å; L242-F312 WeakPolarHBondContact O-CB 3.45Å; L242-F312 PolarHBondContact O-N 2.88Å; L242-P341 HydrophobicContact CD1-CB 3.61Å; L242-P341 HydrophobicContact CD1-CG 4.1Å; L242-P341 HydrophobicContact CD2-CB 4.26Å; L242-P341 HydrophobicContact CD2-CG 4.36Å; L242-N370 HydrophobicContact CD2-CB 3.9Å; L242-N370 VanDerWaalsContact CD2-CG 3.48Å; L242-N370 WeakPolarHBondContact CD2-OD1 3.47Å
243S98.1Very high95.8Very high1 Ų156.7 Ų56.71%0.00728%0.282CS..EExtended strand (participates in β ladder)trans-156.7133.2-175.4-1380000108.7C214 E309 I310 S311C214-S243 WeakPolarHBondContact CB-O 3.33Å; C214-S243 PolarHBondContact N-O 3.02Å; S243-E309 WeakPolarHBondContact CB-OE1 3.11Å; S243-E309 WeakPolarHBondContact OG-CG 3.32Å; S243-E309 PolarHBondContact OG-OE1 3.16Å; S243-I310 WeakPolarHBondContact CA-O 3.43Å; S243-S311 WeakPolarHBondContact OG-CA 3.21Å; S243-S311 WeakPolarHBondContact OG-CB 3.33Å
244F98.4Very high95.9Very high3 Ų353 Ų531%0.01327%0.267CS..EExtended strand (participates in β ladder)trans-139.9146.6-167.1-52.3-80.4000112.2V211 Y212 L213 L242 V259 E309 I310 F312 L343 F367V211-F244 HydrophobicContact CG1-CB 3.99Å; V211-F244 HydrophobicContact CG1-CD1 3.91Å; V211-F244 HydrophobicContact CG1-CG 4.16Å; Y212-F244 VanDerWaalsContact O-CA 3.32Å; Y212-F244 WeakPolarHBondContact O-CA 3.48Å; L213-F244 HydrophobicContact CD1-CD1 4.1Å; L213-F244 HydrophobicContact CD1-CE1 3.71Å; L213-F244 HydrophobicContact CD1-CZ 4.48Å; L242-F244 HydrophobicContact CB-CE2 3.8Å; L242-F244 HydrophobicContact CB-CZ 3.91Å; L242-F244 HydrophobicContact CD2-CZ 4.22Å; L242-F244 HydrophobicContact CG-CZ 4.48Å; F244-V259 HydrophobicContact CE2-CG2 4.49Å; F244-E309 WeakPolarHBondContact O-CA 3.45Å; F244-I310 PolarHBondContact N-O 3.27Å; F244-I310 PolarHBondContact O-N 3.15Å; F244-F312 HydrophobicContact CD2-CD2 4.06Å; F244-F312 AromaticContact CD2-CE2 3.92Å; F244-F312 HydrophobicContact CD2-CE2 3.92Å; F244-F312 AromaticContact CE2-CD2 3.96Å; F244-F312 HydrophobicContact CE2-CD2 3.96Å; F244-F312 HydrophobicContact CE2-CE2 4.02Å; F244-L343 HydrophobicContact CB-CD2 4.39Å; F244-L343 HydrophobicContact CD1-CD2 4.42Å; F244-L343 HydrophobicContact CD2-CD1 3.97Å; F244-L343 HydrophobicContact CD2-CD2 3.9Å; F244-L343 HydrophobicContact CD2-CG 4.44Å; F244-L343 HydrophobicContact CE2-CB 4.32Å; F244-L343 HydrophobicContact CE2-CD1 3.85Å; F244-L343 HydrophobicContact CE2-CD2 4.24Å; F244-L343 HydrophobicContact CE2-CG 4.36Å; F244-L343 HydrophobicContact CG-CD2 3.99Å; F244-L343 HydrophobicContact CZ-CB 4.31Å; F244-F367 HydrophobicContact CD1-CD2 4.48Å; F244-F367 AromaticContact CD1-CE2 3.88Å; F244-F367 HydrophobicContact CD1-CE2 3.88Å; F244-F367 HydrophobicContact CD1-CZ 4.42Å; F244-F367 AromaticContact CE1-CD2 3.73Å; F244-F367 HydrophobicContact CE1-CD2 3.73Å; F244-F367 AromaticContact CE1-CE2 3.54Å; F244-F367 HydrophobicContact CE1-CE2 3.54Å; F244-F367 HydrophobicContact CE1-CZ 4.43Å
245N98.1Very high96.1Very high65 Ų6545.5 Ų45.535%0.34823%0.232SC..EExtended strand (participates in β ladder)trans-102.6137.1162.4-169.2-2.4000108.7V211 Y212V211-N245 WeakPolarHBondContact CA-O 3.38Å; Y212-N245 PolarHBondContact N-O 3.48Å; Y212-N245 PolarHBondContact O-N 2.82Å
246I97.8Very high96.2Very high1 Ų145.7 Ų45.71%0.00523%0.231CC..EExtended strand (participates in β ladder)trans-123.1136.7-176.2-55.7-176.5000109.1A209 Q210 V211 L249 V257 M306 I310 L343 I345A209-I246 HydrophobicContact CB-CG2 4.42Å; Q210-I246 WeakPolarHBondContact O-CA 3.27Å; V211-I246 HydrophobicContact CG1-CG1 4.48Å; V211-I246 HydrophobicContact CG2-CG1 4.22Å; V211-I246 HydrophobicContact CG2-CG2 4.45Å; I246-L249 HydrophobicContact CG2-CD1 3.85Å; I246-L249 HydrophobicContact CG2-CG 4Å; I246-V257 HydrophobicContact CD1-CG1 4.46Å; I246-M306 WeakPolarHBondContact O-CG 3.4Å; I246-I310 HydrophobicContact CB-CD1 4.43Å; I246-I310 HydrophobicContact CD1-CD1 3.37Å; I246-I310 HydrophobicContact CG1-CD1 3.82Å; I246-L343 HydrophobicContact CD1-CD2 4.3Å; I246-I345 HydrophobicContact CD1-CD1 3.82Å; I246-I345 HydrophobicContact CD1-CG1 4.44Å; I246-I345 HydrophobicContact CG2-CD1 4.03Å
247T96.8Very high96.2Very high46 Ų4639.5 Ų39.528%0.28221%0.208SC..EExtended strand (participates in β ladder)trans-135.8169172.460.60000110.6A209 Q210A209-T247 CarbonylContact C-O 3.54Å; A209-T247 WeakPolarHBondContact CA-O 3.47Å; Q210-T247 WeakPolarHBondContact CB-OG1 3.41Å; Q210-T247 PolarHBondContact N-O 3.07Å; Q210-T247 PolarHBondContact O-N 3Å
248G94.5Very high96.2Very high32 Ų3233.4 Ų33.433%0.3319%0.185SC..SBendtrans80.111.3174.800000116.3A207 M306A207-G248 VanDerWaalsContact CB-O 3.27Å; A207-G248 WeakPolarHBondContact CB-O 3.47Å; G248-M306 PolarHBondContact N-SD 3.03Å
249L94.3Very high96.1Very high10 Ų1033 Ų335%0.05218%0.183CC..  trans-79.9157.2170.9-62.9178.1000111.6A209 I246 L251 Y255 W305 M306 I345A209-L249 HydrophobicContact CB-CD2 3.62Å; A209-L249 HydrophobicContact CB-CG 4.36Å; I246-L249 HydrophobicContact CG2-CD1 3.85Å; I246-L249 HydrophobicContact CG2-CG 4Å; L249-L251 PolarHBondContact O-N 3.17Å; L249-Y255 HydrophobicContact CB-CD2 4.48Å; L249-Y255 HydrophobicContact CB-CE2 3.86Å; L249-Y255 HydrophobicContact CD1-CD2 4.07Å; L249-Y255 HydrophobicContact CD1-CE2 4.27Å; L249-Y255 HydrophobicContact CD1-CG 4.39Å; L249-Y255 HydrophobicContact CD2-CD1 4.14Å; L249-Y255 HydrophobicContact CD2-CD2 4.45Å; L249-Y255 HydrophobicContact CD2-CE1 3.84Å; L249-Y255 HydrophobicContact CD2-CE2 4.17Å; L249-Y255 HydrophobicContact CD2-CG 4.44Å; L249-Y255 HydrophobicContact CG-CE2 4.33Å; L249-W305 HydrophobicContact CD1-CB 3.81Å; L249-W305 HydrophobicContact CD1-CG 4.4Å; L249-M306 HydrophobicContact CB-CE 4.06Å; L249-M306 HydrophobicContact CB-CG 4.28Å; L249-M306 HydrophobicContact CB-SD 3.89Å; L249-M306 HydrophobicContact CD1-CG 4.36Å; L249-M306 HydrophobicContact CG-CG 4.45Å; L249-M306 HydrophobicContact CG-SD 4.46Å; L249-M306 PolarHBondContact N-SD 3.24Å; L249-M306 WeakPolarHBondContact O-CE 3.41Å; L249-I345 HydrophobicContact CD2-CG2 4.04Å
250N93.3Very high96Very high77 Ų7733.7 Ų33.741%0.41219%0.187SC..  trans-68.5127.7166.8179.70.2000109.4T252 A253 Y255 G302N250-T252 VanDerWaalsContact C-N 3.28Å; N250-T252 PolarHBondContact O-N 3.24Å; N250-T252 PolarHBondContact OD1-N 2.84Å; N250-T252 PolarHBondContact OD1-OG1 3.38Å; N250-A253 HydrophobicContact CB-CB 3.89Å; N250-Y255 WeakPolarHBondContact CB-OH 3.4Å; N250-Y255 PolarHBondContact N-OH 3Å; N250-Y255 VanDerWaalsContact N-OH 3.14Å; N250-G302 VanDerWaalsContact O-CA 3.31Å; N250-G302 WeakPolarHBondContact O-CA 3.21Å
251L94.9Very high95.9Very high106 Ų10633.6 Ų33.656%0.55519%0.186SC*.SBendtrans-60.1-35.6-175.3-71.7168.2000113.2L249 A303 M306L249-L251 PolarHBondContact O-N 3.17Å; L251-A303 HydrophobicContact CB-CB 4.21Å; L251-A303 HydrophobicContact CD2-CB 3.79Å; L251-A303 WeakPolarHBondContact O-CB 3.49Å; L251-A303 PolarHBondContact O-N 3.36Å; L251-M306 HydrophobicContact CD2-CE 3.47Å; L251-M306 VanDerWaalsContact CD2-CE 3.47Å; L251-M306 HydrophobicContact CG-CE 4.15Å
252T94.3Very high95.7Very high110 Ų11031.7 Ų31.768%0.67518%0.18SC*.SBendtrans-97.8-22.5-174.155.40000114.5N250N250-T252 VanDerWaalsContact C-N 3.28Å; N250-T252 PolarHBondContact O-N 3.24Å; N250-T252 PolarHBondContact OD1-N 2.84Å; N250-T252 PolarHBondContact OD1-OG1 3.38Å
253A92.6Very high95.5Very high15 Ų1535.1 Ų35.112%0.12420%0.198CC..SBendtrans-69.4149.4177.300000111.3N250 Y255 T301 G302 E347N250-A253 HydrophobicContact CB-CB 3.89Å; A253-Y255 HydrophobicContact CB-CE2 3.88Å; A253-Y255 WeakPolarHBondContact O-CD2 3.43Å; A253-Y255 WeakPolarHBondContact O-CE2 3.31Å; A253-T301 CarbonylContact O-C 3.6Å; A253-T301 VanDerWaalsContact O-CA 3.29Å; A253-T301 WeakPolarHBondContact O-CA 3.31Å; A253-G302 PolarHBondContact O-N 2.73Å; A253-E347 HydrophobicContact CB-CG 4.06Å
254H93.9Very high95.4Very high87 Ų8736.9 Ų36.940%0.40321%0.213SC..EExtended strand (participates in β ladder)trans-91.4143.4175.6-79.2-116.5000110.9N300 V348H254-N300 CarbonylContact C-O 3.47Å; H254-N300 WeakPolarHBondContact CA-O 3.43Å; H254-V348 HydrophobicContact CB-CB 4.22Å; H254-V348 PolarHBondContact O-N 3.22Å
255Y94.7Very high95.1Very high4 Ų438 Ų382%0.01622%0.219CC..EExtended strand (participates in β ladder)trans-134137.1-179.7-60.6-88.2000111.3L249 N250 A253 P299 N300 W305 I345 V346 E347L249-Y255 HydrophobicContact CB-CD2 4.48Å; L249-Y255 HydrophobicContact CB-CE2 3.86Å; L249-Y255 HydrophobicContact CD1-CD2 4.07Å; L249-Y255 HydrophobicContact CD1-CE2 4.27Å; L249-Y255 HydrophobicContact CD1-CG 4.39Å; L249-Y255 HydrophobicContact CD2-CD1 4.14Å; L249-Y255 HydrophobicContact CD2-CD2 4.45Å; L249-Y255 HydrophobicContact CD2-CE1 3.84Å; L249-Y255 HydrophobicContact CD2-CE2 4.17Å; L249-Y255 HydrophobicContact CD2-CG 4.44Å; L249-Y255 HydrophobicContact CG-CE2 4.33Å; N250-Y255 WeakPolarHBondContact CB-OH 3.4Å; N250-Y255 PolarHBondContact N-OH 3Å; N250-Y255 VanDerWaalsContact N-OH 3.14Å; A253-Y255 HydrophobicContact CB-CE2 3.88Å; A253-Y255 WeakPolarHBondContact O-CD2 3.43Å; A253-Y255 WeakPolarHBondContact O-CE2 3.31Å; Y255-P299 WeakPolarHBondContact O-CA 3.32Å; Y255-N300 PolarHBondContact N-O 3.5Å; Y255-N300 PolarHBondContact O-N 3.43Å; Y255-W305 PolarHBondContact O-NE1 2.78Å; Y255-I345 HydrophobicContact CD1-CG2 3.74Å; Y255-I345 HydrophobicContact CG-CG2 4.17Å; Y255-V346 CarbonylContact C-O 3.6Å; Y255-V346 VanDerWaalsContact CA-O 3.22Å; Y255-V346 WeakPolarHBondContact CA-O 3.25Å; Y255-E347 HydrophobicContact CD1-CB 3.83Å; Y255-E347 HydrophobicContact CD1-CG 4.04Å; Y255-E347 HydrophobicContact CE1-CB 3.54Å; Y255-E347 HydrophobicContact CE1-CG 3.51Å; Y255-E347 WeakPolarHBondContact CE1-OE2 3.19Å; Y255-E347 PolarHBondContact OH-OE2 3.22Å
256N95.3Very high94.8Very high14 Ų1439.4 Ų39.48%0.07523%0.232CC..EExtended strand (participates in β ladder)trans-87.1130.3160.9-79.3-35.4000109.1S298 P299 I345 V346 V348 E354N256-S298 WeakPolarHBondContact OD1-CB 3.27Å; N256-P299 WeakPolarHBondContact OD1-CA 3.44Å; N256-P299 WeakPolarHBondContact OD1-CB 3.21Å; N256-I345 WeakPolarHBondContact O-CA 3.48Å; N256-V346 PolarHBondContact N-O 2.88Å; N256-V346 PolarHBondContact O-N 3.28Å; N256-V348 HydrophobicContact CB-CG2 4.43Å; N256-E354 VanDerWaalsContact ND2-CD 3.27Å; N256-E354 PolarHBondContact ND2-OE1 3.26Å; N256-E354 PolarHBondContact ND2-OE2 3.23Å
257V96.4Very high94.6Very high0 Ų041.8 Ų41.80%024%0.244CC..EExtended strand (participates in β ladder)trans-120.4123.7176.7-176.50000109I246 H295 S298 W305 F312 L343 H344 I345I246-V257 HydrophobicContact CD1-CG1 4.46Å; V257-H295 WeakPolarHBondContact O-CB 3.35Å; V257-H295 PolarHBondContact O-N 3Å; V257-S298 PolarHBondContact N-OG 3.33Å; V257-S298 VanDerWaalsContact N-OG 3.08Å; V257-S298 PolarHBondContact O-OG 2.91Å; V257-W305 HydrophobicContact CB-CD2 4.48Å; V257-W305 HydrophobicContact CB-CH2 4.02Å; V257-W305 HydrophobicContact CB-CZ2 3.92Å; V257-W305 HydrophobicContact CB-CZ3 4.37Å; V257-W305 HydrophobicContact CG2-CD2 3.71Å; V257-W305 VanDerWaalsContact CG2-CE2 3.46Å; V257-W305 HydrophobicContact CG2-CE3 4.23Å; V257-W305 HydrophobicContact CG2-CG 4.09Å; V257-W305 HydrophobicContact CG2-CH2 4.22Å; V257-W305 HydrophobicContact CG2-CZ2 3.72Å; V257-W305 HydrophobicContact CG2-CZ3 4.46Å; V257-F312 HydrophobicContact CG1-CZ 4.23Å; V257-L343 HydrophobicContact CG1-CD1 3.87Å; V257-H344 WeakPolarHBondContact CA-O 3.24Å; V257-I345 HydrophobicContact CG2-CG1 4.47Å; V257-I345 HydrophobicContact CG2-CG2 4.3Å
258F96.1Very high94.5Very high13 Ų1342.7 Ų42.76%0.05725%0.246CC..EExtended strand (participates in β ladder)trans-146.1159.2-175.464.4-97.8000113V292 Y293 V294 H344 V346 M356F258-V292 HydrophobicContact CB-CG1 4.18Å; F258-V292 HydrophobicContact CD2-CG1 3.64Å; F258-V292 HydrophobicContact CE2-CG1 4.24Å; F258-V292 HydrophobicContact CG-CG1 4.13Å; F258-Y293 CarbonylContact C-O 3.55Å; F258-Y293 VanDerWaalsContact CA-O 3.3Å; F258-Y293 WeakPolarHBondContact CA-O 3.47Å; F258-Y293 VanDerWaalsContact CB-O 3.31Å; F258-Y293 WeakPolarHBondContact CB-O 3.5Å; F258-V294 HydrophobicContact CB-CB 4.39Å; F258-V294 HydrophobicContact CB-CG2 4.16Å; F258-H344 HydrophobicContact CD1-CB 4.1Å; F258-H344 HydrophobicContact CD2-CB 3.7Å; F258-H344 AromaticContact CD2-CD2 3.94Å; F258-H344 AromaticContact CD2-CG 3.98Å; F258-H344 HydrophobicContact CE1-CB 3.83Å; F258-H344 HydrophobicContact CE2-CB 3.4Å; F258-H344 AromaticContact CE2-CD2 3.66Å; F258-H344 AromaticContact CE2-CG 3.45Å; F258-H344 VanDerWaalsContact CE2-CG 3.45Å; F258-H344 HydrophobicContact CG-CB 4.06Å; F258-H344 HydrophobicContact CZ-CB 3.47Å; F258-H344 VanDerWaalsContact CZ-CB 3.47Å; F258-H344 AromaticContact CZ-CG 3.85Å; F258-H344 PolarHBondContact N-O 3.37Å; F258-H344 PolarHBondContact O-N 3.21Å; F258-V346 HydrophobicContact CE1-CG2 3.72Å; F258-V346 HydrophobicContact CZ-CG2 4.28Å; F258-M356 HydrophobicContact CD1-SD 4.44Å; F258-M356 HydrophobicContact CE1-CG 3.98Å; F258-M356 HydrophobicContact CE1-SD 3.85Å; F258-M356 HydrophobicContact CZ-CG 4.02Å; F258-M356 HydrophobicContact CZ-SD 4.1Å
259V96.9Very high94.6Very high0 Ų042.8 Ų42.80%024%0.236CC..EExtended strand (participates in β ladder)trans-111.1126.7174.1166.10000109.6L242 F244 I261 V292 Y293 F312 L315 P341 R342 L343L242-V259 HydrophobicContact CD1-CG1 3.85Å; L242-V259 HydrophobicContact CD1-CG2 4.19Å; F244-V259 HydrophobicContact CE2-CG2 4.49Å; V259-I261 HydrophobicContact CG1-CG1 4.08Å; V259-V292 CarbonylContact O-C 3.42Å; V259-V292 WeakPolarHBondContact O-CA 3.47Å; V259-Y293 PolarHBondContact N-O 2.86Å; V259-Y293 PolarHBondContact O-N 2.98Å; V259-F312 HydrophobicContact CB-CD1 4.24Å; V259-F312 HydrophobicContact CB-CE1 4.14Å; V259-F312 HydrophobicContact CG2-CD1 3.71Å; V259-F312 HydrophobicContact CG2-CD2 4.15Å; V259-F312 HydrophobicContact CG2-CE1 3.57Å; V259-F312 HydrophobicContact CG2-CE2 4.03Å; V259-F312 HydrophobicContact CG2-CG 4.01Å; V259-F312 HydrophobicContact CG2-CZ 3.74Å; V259-L315 HydrophobicContact CB-CD1 4.27Å; V259-L315 HydrophobicContact CG1-CD1 4.18Å; V259-P341 HydrophobicContact CG1-CB 4.49Å; V259-R342 CarbonylContact C-O 3.57Å; V259-R342 VanDerWaalsContact CA-O 3.3Å; V259-R342 WeakPolarHBondContact CA-O 3.38Å; V259-L343 HydrophobicContact CG2-CD1 3.85Å
260E95.1Very high94.7Very high41 Ų4147.5 Ų47.519%0.19225%0.253CS..EExtended strand (participates in β ladder)trans-95.7146162.7-167.8-166.6-160.900109.2V262 K291 V292 P341 R342 H344E260-V262 HydrophobicContact CG-CG1 3.94Å; E260-V262 WeakPolarHBondContact OE1-CG1 3.43Å; E260-V262 WeakPolarHBondContact OE2-CG1 3.38Å; E260-K291 CarbonylContact C-O 3.58Å; E260-K291 WeakPolarHBondContact CA-O 3.36Å; E260-K291 HydrophobicContact CG-CB 4.34Å; E260-V292 HydrophobicContact CB-CG2 4.47Å; E260-V292 HydrophobicContact CG-CG2 4.28Å; E260-P341 WeakPolarHBondContact O-CA 3.49Å; E260-R342 HydrophobicContact CB-CB 4.44Å; E260-R342 PolarHBondContact N-O 3.17Å; E260-R342 PolarHBondContact O-N 3.15Å; E260-R342 WeakPolarHBondContact OE2-CD 3.33Å; E260-R342 IonicContact OE2-CZ 2.77Å; E260-R342 IonicContact OE2-NE 3.18Å; E260-R342 IonicContact OE2-NH1 3.97Å; E260-R342 PolarHBondContact OE2-NH1 3.06Å; E260-H344 WeakPolarHBondContact CB-NE2 3.25Å; E260-H344 IonicContact OE2-NE2 1.8Å
261I95.8Very high94.9Very high2 Ų246 Ų461%0.0124%0.243CC..EExtended strand (participates in β ladder)trans-118.7108.9167.7-59.1-177.6000109.4M238 V259 K291 L317 I331 L333 Y339 F372M238-I261 HydrophobicContact SD-CD1 4.47Å; V259-I261 HydrophobicContact CG1-CG1 4.08Å; I261-K291 PolarHBondContact N-O 2.96Å; I261-L317 HydrophobicContact CD1-CD2 3.67Å; I261-I331 HydrophobicContact CB-CD1 4.48Å; I261-I331 HydrophobicContact CB-CG2 4.3Å; I261-I331 HydrophobicContact CD1-CD1 3.76Å; I261-I331 HydrophobicContact CD1-CG2 4.24Å; I261-I331 HydrophobicContact CG1-CD1 3.86Å; I261-L333 HydrophobicContact CB-CD2 4.4Å; I261-L333 HydrophobicContact CG2-CD1 4.46Å; I261-L333 HydrophobicContact CG2-CD2 3.87Å; I261-Y339 HydrophobicContact CG2-CD1 3.91Å; I261-Y339 HydrophobicContact CG2-CG 3.98Å; I261-F372 HydrophobicContact CD1-CE1 4.38Å; I261-F372 HydrophobicContact CD1-CZ 4.27Å; I261-F372 HydrophobicContact CG2-CE1 4.36Å; I261-F372 HydrophobicContact CG2-CZ 4.11Å
262V94.4Very high94.9Very high38 Ų3845.4 Ų45.423%0.2324%0.237CC..EExtended strand (participates in β ladder)trans-100158.4177.7-58.10000111.5E260 Y339 Q340 R342E260-V262 HydrophobicContact CG-CG1 3.94Å; E260-V262 WeakPolarHBondContact OE1-CG1 3.43Å; E260-V262 WeakPolarHBondContact OE2-CG1 3.38Å; V262-Y339 CarbonylContact O-C 3.53Å; V262-Y339 WeakPolarHBondContact O-CA 3.43Å; V262-Y339 WeakPolarHBondContact O-CB 3.32Å; V262-Y339 WeakPolarHBondContact O-CD1 3.1Å; V262-Q340 HydrophobicContact CG2-CB 4.07Å; V262-Q340 WeakPolarHBondContact CG2-O 3.44Å; V262-Q340 PolarHBondContact N-O 2.79Å; V262-Q340 VanDerWaalsContact N-O 3.1Å; V262-Q340 PolarHBondContact O-N 2.67Å; V262-R342 HydrophobicContact CG2-CG 4.37Å
263L94.2Very high94.9Very high72 Ų7244.1 Ų44.138%0.37725%0.246SC..EExtended strand (participates in β ladder)trans-64.1133.1166.9-76.6166.5000109.4H337 Y339L263-H337 HydrophobicContact CD2-CB 3.9Å; L263-Y339 HydrophobicContact CD2-CD1 3.96Å; L263-Y339 HydrophobicContact CD2-CE1 3.43Å; L263-Y339 VanDerWaalsContact CD2-CE1 3.43Å; L263-Y339 HydrophobicContact CG-CD1 4.33Å; L263-Y339 HydrophobicContact CG-CE1 3.93Å
264A95.1Very high95Very high39 Ų3946.3 Ų46.332%0.32227%0.27SS..SBendtrans-83.1-27.7176.900000112.3K338 Q340A264-K338 HydrophobicContact CB-CB 4.34Å; A264-K338 HydrophobicContact CB-CD 4.05Å; A264-K338 HydrophobicContact CB-CG 4.01Å; A264-K338 PolarHBondContact N-O 3.02Å; A264-Q340 HydrophobicContact CB-CB 4.17Å
265D92.8Very high95.1Very high27 Ų2748.4 Ų48.414%0.14428%0.278CS..SBendtrans-154.5159175.263.175.3000110.4N267 W269 K338D265-N267 VanDerWaalsContact C-N 3.25Å; D265-N267 PolarHBondContact O-N 2.95Å; D265-N267 VanDerWaalsContact OD1-CB 3.28Å; D265-N267 WeakPolarHBondContact OD1-CB 3.27Å; D265-N267 PolarHBondContact OD1-N 2.96Å; D265-N267 VanDerWaalsContact OD1-N 3.14Å; D265-N267 PolarHBondContact OD1-ND2 3.31Å; D265-W269 PolarHBondContact OD1-NE1 3.23Å; D265-W269 WeakPolarHBondContact OD2-CZ2 3.49Å; D265-W269 PolarHBondContact OD2-NE1 2.85Å; D265-K338 WeakPolarHBondContact OD2-CB 3.49Å; D265-K338 WeakPolarHBondContact OD2-CD 3.32Å
266P92Very high95.2Very high93 Ų9348.8 Ų48.860%0.60428%0.279SS*.SBendtrans-89.128-176.538-37.7000112.8K281 A282P266-K281 CarbonylContact O-C 3.58Å; P266-K281 WeakPolarHBondContact O-CA 3.43Å; P266-A282 WeakPolarHBondContact O-CB 3.22Å; P266-A282 PolarHBondContact O-N 3.49Å
267N93.8Very high95.3Very high51 Ų5150 Ų5027%0.27329%0.287SS..EExtended strand (participates in β ladder)trans-101.8148.1-179.4-49.3-79.7000112D265 W269 T278 G280 H337D265-N267 VanDerWaalsContact C-N 3.25Å; D265-N267 PolarHBondContact O-N 2.95Å; D265-N267 VanDerWaalsContact OD1-CB 3.28Å; D265-N267 WeakPolarHBondContact OD1-CB 3.27Å; D265-N267 PolarHBondContact OD1-N 2.96Å; D265-N267 VanDerWaalsContact OD1-N 3.14Å; D265-N267 PolarHBondContact OD1-ND2 3.31Å; N267-W269 VanDerWaalsContact O-CD1 3.28Å; N267-T278 HydrophobicContact CB-CG2 3.55Å; N267-G280 WeakPolarHBondContact CA-O 3.25Å; N267-H337 PolarHBondContact O-CD2 2.93Å; N267-H337 VanDerWaalsContact O-CD2 3.31Å
268H94.5Very high95.3Very high66 Ų6653.5 Ų53.531%0.30631%0.309SS..EExtended strand (participates in β ladder)trans-89.4130.9161.7-174.4-154.8000108.4C279 G280 L336 H337H268-C279 PolarHBondContact O-N 2.88Å; H268-C279 PolarHBondContact O-SG 2.88Å; H268-C279 VanDerWaalsContact O-SG 3.42Å; H268-G280 PolarHBondContact N-O 3.04Å; H268-L336 PolarHBondContact CD2-O 3.06Å; H268-L336 WeakPolarHBondContact NE2-CB 3.29Å; H268-H337 AromaticContact CD2-CE1 3.7Å
269W96.1Very high95.1Very high34 Ų3455.4 Ų55.413%0.12932%0.323CS..EExtended strand (participates in β ladder)trans-112.5146.9-170.6-7082.3000112.2D265 N267 W276 V277 T278 L336 K338 I373D265-W269 PolarHBondContact OD1-NE1 3.23Å; D265-W269 WeakPolarHBondContact OD2-CZ2 3.49Å; D265-W269 PolarHBondContact OD2-NE1 2.85Å; N267-W269 VanDerWaalsContact O-CD1 3.28Å; W269-W276 HydrophobicContact CB-CE3 3.87Å; W269-W276 HydrophobicContact CB-CZ3 4.05Å; W269-W276 HydrophobicContact CE3-CB 3.91Å; W269-W276 HydrophobicContact CZ3-CB 4.13Å; W269-V277 WeakPolarHBondContact CA-O 3.26Å; W269-T278 HydrophobicContact CD2-CG2 3.99Å; W269-T278 HydrophobicContact CE3-CG2 4.06Å; W269-T278 HydrophobicContact CH2-CG2 3.99Å; W269-T278 HydrophobicContact CZ2-CG2 3.89Å; W269-T278 HydrophobicContact CZ3-CG2 4.06Å; W269-L336 WeakPolarHBondContact CB-O 3.41Å; W269-L336 PolarHBondContact N-O 3.14Å; W269-L336 WeakPolarHBondContact O-CB 3.48Å; W269-K338 HydrophobicContact CZ2-CD 4.39Å; W269-I373 HydrophobicContact CD2-CD1 4.48Å
270R96.4Very high94.7Very high108 Ų10857.1 Ų57.141%0.40834%0.341SS..EExtended strand (participates in β ladder)trans-135.3147.7170.966-176.6-169.2-156.210.5111.1Q272 W276 V277 C279R270-Q272 HydrophobicContact CG-CG 4.2Å; R270-W276 VanDerWaalsContact C-CE3 3.48Å; R270-V277 HydrophobicContact CG-CG2 3.65Å; R270-V277 PolarHBondContact N-O 2.82Å; R270-V277 PolarHBondContact O-N 2.97Å; R270-C279 HydrophobicContact CG-CB 3.86Å
271F97.4Very high94.3Very high45 Ų4564.1 Ų64.120%0.19737%0.37CS..EExtended strand (participates in β ladder)trans-92.5120.7173.9-164.3-110.3000109.5G274 K275 W276 Q379 N380F271-G274 WeakPolarHBondContact CZ-O 3.42Å; F271-K275 WeakPolarHBondContact CA-O 3.49Å; F271-K275 VanDerWaalsContact CD2-C 3.44Å; F271-W276 HydrophobicContact CB-CD2 4.19Å; F271-W276 HydrophobicContact CB-CE3 4.17Å; F271-W276 HydrophobicContact CB-CH2 4.32Å; F271-W276 HydrophobicContact CB-CZ2 4.31Å; F271-W276 HydrophobicContact CB-CZ3 4.25Å; F271-W276 AromaticContact CD2-CD1 3.62Å; F271-W276 AromaticContact CD2-CD2 3.87Å; F271-W276 HydrophobicContact CD2-CD2 3.87Å; F271-W276 AromaticContact CD2-CE2 3.8Å; F271-W276 AromaticContact CD2-CG 3.8Å; F271-W276 HydrophobicContact CD2-CG 3.8Å; F271-W276 AromaticContact CD2-NE1 3.59Å; F271-W276 AromaticContact CE2-CD1 3.93Å; F271-W276 HydrophobicContact CE2-CG 4.46Å; F271-Q379 HydrophobicContact CB-CB 3.59Å; F271-Q379 HydrophobicContact CB-CG 4.13Å; F271-Q379 HydrophobicContact CD1-CB 3.81Å; F271-Q379 WeakPolarHBondContact CD1-O 3.35Å; F271-Q379 HydrophobicContact CD2-CB 4.39Å; F271-Q379 VanDerWaalsContact CE1-O 3.26Å; F271-Q379 WeakPolarHBondContact CE1-O 3.38Å; F271-Q379 HydrophobicContact CG-CB 3.69Å; F271-N380 HydrophobicContact CE2-CB 4.02Å; F271-N380 HydrophobicContact CZ-CB 3.84Å
272Q95.9Very high93.5Very high94 Ų9464.9 Ų64.944%0.43938%0.377SS..EExtended strand (participates in β ladder)trans-146.9130-179.3-73.5-170.6-28.700110.6R270 G274 K275R270-Q272 HydrophobicContact CG-CG 4.2Å; Q272-G274 PolarHBondContact O-N 3.06Å; Q272-K275 PolarHBondContact N-O 2.84Å; Q272-K275 WeakPolarHBondContact O-CG 3.22Å; Q272-K275 PolarHBondContact O-N 2.98Å
273G94Very high92.5Very high83 Ų8368.5 Ų68.586%0.85640%0.395SS*.THydrogen-bonded Turntrans60.541.6178.900000113.4K275G273-K275 VanDerWaalsContact C-N 3.29Å; G273-K275 PolarHBondContact O-N 3.48Å
274G94.6Very high91.1Very high61 Ų6171 Ų7163%0.62941%0.409SS*.THydrogen-bonded Turntrans75.47.4178.600000115.8F271 Q272F271-G274 WeakPolarHBondContact CZ-O 3.42Å; Q272-G274 PolarHBondContact O-N 3.06Å
275K96.1Very high89.4Confident131 Ų13175 Ų7557%0.5743%0.425SS*.EExtended strand (participates in β ladder)trans-137.5150.2-177.457.1178.2176.7-174.60112.8F271 Q272 G273 V277F271-K275 WeakPolarHBondContact CA-O 3.49Å; F271-K275 VanDerWaalsContact CD2-C 3.44Å; Q272-K275 PolarHBondContact N-O 2.84Å; Q272-K275 WeakPolarHBondContact O-CG 3.22Å; Q272-K275 PolarHBondContact O-N 2.98Å; G273-K275 VanDerWaalsContact C-N 3.29Å; G273-K275 PolarHBondContact O-N 3.48Å; K275-V277 HydrophobicContact CD-CG1 4.2Å; K275-V277 HydrophobicContact CG-CG1 4.11Å
276W97.2Very high87.8Confident13 Ų1374.5 Ų74.55%0.04942%0.422CS..EExtended strand (participates in β ladder)trans-78.6127.3168.8-75.6101.5000110.6E228 W269 R270 F271 L336 I373 V375 Q379E228-W276 HydrophobicContact CG-CZ2 4.17Å; E228-W276 WeakPolarHBondContact OE1-CZ2 3.31Å; E228-W276 PolarHBondContact OE1-NE1 3.08Å; W269-W276 HydrophobicContact CB-CE3 3.87Å; W269-W276 HydrophobicContact CB-CZ3 4.05Å; W269-W276 HydrophobicContact CE3-CB 3.91Å; W269-W276 HydrophobicContact CZ3-CB 4.13Å; R270-W276 VanDerWaalsContact C-CE3 3.48Å; F271-W276 HydrophobicContact CB-CD2 4.19Å; F271-W276 HydrophobicContact CB-CE3 4.17Å; F271-W276 HydrophobicContact CB-CH2 4.32Å; F271-W276 HydrophobicContact CB-CZ2 4.31Å; F271-W276 HydrophobicContact CB-CZ3 4.25Å; F271-W276 AromaticContact CD2-CD1 3.62Å; F271-W276 AromaticContact CD2-CD2 3.87Å; F271-W276 HydrophobicContact CD2-CD2 3.87Å; F271-W276 AromaticContact CD2-CE2 3.8Å; F271-W276 AromaticContact CD2-CG 3.8Å; F271-W276 HydrophobicContact CD2-CG 3.8Å; F271-W276 AromaticContact CD2-NE1 3.59Å; F271-W276 AromaticContact CE2-CD1 3.93Å; F271-W276 HydrophobicContact CE2-CG 4.46Å; W276-L336 HydrophobicContact CH2-CD2 3.96Å; W276-L336 HydrophobicContact CZ3-CD2 3.99Å; W276-I373 HydrophobicContact CB-CD1 4.24Å; W276-I373 HydrophobicContact CD2-CD1 3.47Å; W276-I373 VanDerWaalsContact CD2-CD1 3.47Å; W276-I373 HydrophobicContact CE3-CD1 3.83Å; W276-I373 HydrophobicContact CG-CD1 3.67Å; W276-I373 HydrophobicContact CH2-CG2 3.73Å; W276-I373 HydrophobicContact CZ2-CB 4.41Å; W276-I373 HydrophobicContact CZ2-CD1 4.29Å; W276-I373 HydrophobicContact CZ2-CG2 4.04Å; W276-I373 HydrophobicContact CZ3-CD1 4.35Å; W276-I373 HydrophobicContact CZ3-CG2 4Å; W276-V375 HydrophobicContact CH2-CG1 3.74Å; W276-V375 HydrophobicContact CZ2-CG1 3.95Å; W276-Q379 HydrophobicContact CH2-CB 4.23Å; W276-Q379 HydrophobicContact CH2-CG 3.67Å; W276-Q379 HydrophobicContact CZ2-CB 3.81Å; W276-Q379 HydrophobicContact CZ2-CG 3.7Å
277V96.6Very high86.1Confident39 Ų3977.3 Ų77.324%0.23643%0.427CS..EExtended strand (participates in β ladder)trans-128.9148.6176.1-59.50000110.3W269 R270 K275W269-V277 WeakPolarHBondContact CA-O 3.26Å; R270-V277 HydrophobicContact CG-CG2 3.65Å; R270-V277 PolarHBondContact N-O 2.82Å; R270-V277 PolarHBondContact O-N 2.97Å; K275-V277 HydrophobicContact CD-CG1 4.2Å; K275-V277 HydrophobicContact CG-CG1 4.11Å
278T95.9Very high84.3Confident74 Ų7481.2 Ų81.245%0.45445%0.452SS..EExtended strand (participates in β ladder)trans-75.5145.4172.553.40000110.3N267 W269N267-T278 HydrophobicContact CB-CG2 3.55Å; W269-T278 HydrophobicContact CD2-CG2 3.99Å; W269-T278 HydrophobicContact CE3-CG2 4.06Å; W269-T278 HydrophobicContact CH2-CG2 3.99Å; W269-T278 HydrophobicContact CZ2-CG2 3.89Å; W269-T278 HydrophobicContact CZ3-CG2 4.06Å
279C92.6Very high82.8Confident53 Ų5378.9 Ų78.936%0.35845%0.447SS..EExtended strand (participates in β ladder)trans-139.54.7-178.260.30000114.8H268 R270H268-C279 PolarHBondContact O-N 2.88Å; H268-C279 PolarHBondContact O-SG 2.88Å; H268-C279 VanDerWaalsContact O-SG 3.42Å; R270-C279 HydrophobicContact CG-CB 3.86Å
280G89.3Confident81.9Confident36 Ų3680.5 Ų80.537%0.37146%0.457SS..EExtended strand (participates in β ladder)trans175-178.7177.200000111.1N267 H268N267-G280 WeakPolarHBondContact CA-O 3.25Å; H268-G280 PolarHBondContact N-O 3.04Å
281K85.1Confident81.3Confident187 Ų18778.3 Ų78.381%0.81345%0.451SS*.EExtended strand (participates in β ladder)trans-85.5154.6167-67.1-174.7178.5-178.20110.2P266P266-K281 CarbonylContact O-C 3.58Å; P266-K281 WeakPolarHBondContact O-CA 3.43Å
282A79.4Confident81Confident19 Ų1978.1 Ų78.116%0.15745%0.453CS..  trans-71.1144.2173.100000111.6P266 N284 H337P266-A282 WeakPolarHBondContact O-CB 3.22Å; P266-A282 PolarHBondContact O-N 3.49Å; A282-N284 PolarHBondContact O-N 2.95Å; A282-N284 VanDerWaalsContact O-N 3.07Å; A282-H337 VanDerWaalsContact CA-NE2 3.33Å; A282-H337 WeakPolarHBondContact CA-NE2 3.44Å; A282-H337 VanDerWaalsContact CB-CD2 3.4Å; A282-H337 WeakPolarHBondContact CB-CD2 3.29Å; A282-H337 WeakPolarHBondContact CB-NE2 3.42Å
283D73.3Confident81Confident114 Ų11473.8 Ų73.861%0.6143%0.433SS*.  trans-71102.5171.6-79.3-26000110N285D283-N285 PolarHBondContact O-N 2.97Å
284N64.4Low81Confident123 Ų12373.2 Ų73.266%0.65841%0.413SS*.SBendtrans-61.3-8.2-179.7-163.534.5000113.7A282 M286A282-N284 PolarHBondContact O-N 2.95Å; A282-N284 VanDerWaalsContact O-N 3.07Å; N284-M286 PolarHBondContact O-N 3.21Å
285N60.4Low81Confident123 Ų12370.9 Ų70.966%0.65839%0.386SS*.  trans-72.852.6171.9-165.74000112.6D283D283-N285 PolarHBondContact O-N 2.97Å
286M58.5Low81Confident18 Ų1868 Ų689%0.08938%0.38CS..  trans-144.838.3171-161.3162.656.300112.1N284 K291 Q334 Y339N284-M286 PolarHBondContact O-N 3.21Å; M286-K291 WeakPolarHBondContact O-CE 3.32Å; M286-K291 PolarHBondContact O-NZ 3.47Å; M286-Q334 HydrophobicContact CE-CB 3.78Å; M286-Q334 HydrophobicContact CE-CG 3.76Å; M286-Q334 HydrophobicContact SD-CB 4.09Å; M286-Q334 HydrophobicContact SD-CG 3.56Å; M286-Q334 VanDerWaalsContact SD-CG 3.56Å; M286-Y339 HydrophobicContact CE-CE1 4.47Å; M286-Y339 WeakPolarHBondContact CE-OH 3.32Å
287Q57.5Low80.9Confident151 Ų15170.9 Ų70.971%0.70639%0.394SS*.SBendtrans-78.4-10.9160.6-67.2176.5-32.300112
288V54.5Low80.8Confident133 Ų13370.2 Ų70.281%0.80639%0.391SS*.SBendtrans-98.4-5-169.1-158.60000114.7
289G64.8Low80.7Confident18 Ų1869.9 Ų69.919%0.18639%0.39CS..SBendtrans-92.8149.618000000113.1K291G289-K291 PolarHBondContact O-N 2.88Å
290N75.5Confident80.9Confident67 Ų6769.2 Ų69.236%0.35838%0.383SS..  trans-63.7123.2172.1-179.731.8000111V292 M330 V332N290-V292 PolarHBondContact ND2-O 3.31Å; N290-V292 PolarHBondContact OD1-N 2.87Å; N290-V292 PolarHBondContact OD1-O 3.07Å; N290-M330 PolarHBondContact ND2-O 3.21Å; N290-V332 PolarHBondContact O-N 3.46Å
291K85.6Confident81.3Confident63 Ų6369.1 Ų69.127%0.27438%0.376SS..  trans-109.8-6.6179.8-69.5168.8-171.6170.40113.8E260 I261 M286 G289 I331E260-K291 CarbonylContact C-O 3.58Å; E260-K291 WeakPolarHBondContact CA-O 3.36Å; E260-K291 HydrophobicContact CG-CB 4.34Å; I261-K291 PolarHBondContact N-O 2.96Å; M286-K291 WeakPolarHBondContact O-CE 3.32Å; M286-K291 PolarHBondContact O-NZ 3.47Å; G289-K291 PolarHBondContact O-N 2.88Å; K291-I331 WeakPolarHBondContact O-CD1 3.39Å
292V91.1Very high81.8Confident40 Ų4060.2 Ų60.224%0.24234%0.337CS..EExtended strand (participates in β ladder)trans-113.5138.2-171.2177.80000110.9F258 V259 E260 N290 V294F258-V292 HydrophobicContact CB-CG1 4.18Å; F258-V292 HydrophobicContact CD2-CG1 3.64Å; F258-V292 HydrophobicContact CE2-CG1 4.24Å; F258-V292 HydrophobicContact CG-CG1 4.13Å; V259-V292 CarbonylContact O-C 3.42Å; V259-V292 WeakPolarHBondContact O-CA 3.47Å; E260-V292 HydrophobicContact CB-CG2 4.47Å; E260-V292 HydrophobicContact CG-CG2 4.28Å; N290-V292 PolarHBondContact ND2-O 3.31Å; N290-V292 PolarHBondContact OD1-N 2.87Å; N290-V292 PolarHBondContact OD1-O 3.07Å; V292-V294 HydrophobicContact CG1-CG2 4.31Å
293Y93.9Very high82.7Confident3 Ų360.7 Ų60.71%0.01234%0.341CS..EExtended strand (participates in β ladder)trans-123114168.2175.7-80000108.4F258 V259 P296 F312 K314 L315 Q329F258-Y293 CarbonylContact C-O 3.55Å; F258-Y293 VanDerWaalsContact CA-O 3.3Å; F258-Y293 WeakPolarHBondContact CA-O 3.47Å; F258-Y293 VanDerWaalsContact CB-O 3.31Å; F258-Y293 WeakPolarHBondContact CB-O 3.5Å; V259-Y293 PolarHBondContact N-O 2.86Å; V259-Y293 PolarHBondContact O-N 2.98Å; Y293-P296 WeakPolarHBondContact OH-CG 3.4Å; Y293-F312 AromaticContact CD1-CD1 3.48Å; Y293-F312 HydrophobicContact CD1-CD1 3.48Å; Y293-F312 VanDerWaalsContact CD1-CD1 3.48Å; Y293-F312 AromaticContact CD1-CE1 3.79Å; Y293-F312 HydrophobicContact CD1-CE1 3.79Å; Y293-F312 AromaticContact CE1-CD1 3.6Å; Y293-F312 HydrophobicContact CE1-CD1 3.6Å; Y293-F312 HydrophobicContact CE1-CE1 4.05Å; Y293-K314 WeakPolarHBondContact OH-CB 3.44Å; Y293-L315 HydrophobicContact CD1-CB 4.25Å; Y293-L315 HydrophobicContact CD1-CD1 3.97Å; Y293-L315 HydrophobicContact CD1-CG 4.21Å; Y293-L315 HydrophobicContact CD2-CB 3.81Å; Y293-L315 HydrophobicContact CD2-CD1 4.25Å; Y293-L315 HydrophobicContact CD2-CG 3.65Å; Y293-L315 HydrophobicContact CE1-CB 4.3Å; Y293-L315 HydrophobicContact CE2-CB 3.83Å; Y293-L315 HydrophobicContact CE2-CG 4.22Å; Y293-L315 HydrophobicContact CG-CB 4.03Å; Y293-L315 HydrophobicContact CG-CD1 3.71Å; Y293-L315 HydrophobicContact CG-CG 3.65Å; Y293-Q329 HydrophobicContact CD2-CB 4.44Å; Y293-Q329 HydrophobicContact CE2-CB 3.86Å; Y293-Q329 HydrophobicContact CE2-CG 4.34Å
294V94.1Very high83.8Confident71 Ų7157.4 Ų57.443%0.4332%0.322SS..EExtended strand (participates in β ladder)trans-79.9135173.4-177.20000109.4F258 V292F258-V294 HydrophobicContact CB-CB 4.39Å; F258-V294 HydrophobicContact CB-CG2 4.16Å; V292-V294 HydrophobicContact CG1-CG2 4.31Å
295H95.7Very high85.4Confident13 Ų1351.6 Ų51.66%0.0629%0.29CS..  trans-65.2132.3177.4-168.5-93.7000110.4V257 E297 S298 W305 S311 F312V257-H295 WeakPolarHBondContact O-CB 3.35Å; V257-H295 PolarHBondContact O-N 3Å; H295-E297 IonicContact CE1-OE2 3.92Å; H295-E297 PolarHBondContact ND1-N 2.69Å; H295-E297 PolarHBondContact O-N 2.79Å; H295-S298 VanDerWaalsContact O-CB 3.27Å; H295-S298 WeakPolarHBondContact O-CB 3.28Å; H295-S298 PolarHBondContact O-N 3.25Å; H295-S298 PolarHBondContact O-OG 2.91Å; H295-W305 HydrophobicContact CB-CH2 4Å; H295-W305 HydrophobicContact CB-CZ3 4.43Å; H295-W305 AromaticContact CG-CH2 3.98Å; H295-W305 AromaticContact ND1-CH2 3.47Å; H295-W305 WeakPolarHBondContact ND1-CH2 3.35Å; H295-W305 AromaticContact ND1-CZ3 3.41Å; H295-W305 WeakPolarHBondContact ND1-CZ3 3.45Å; H295-S311 PolarHBondContact NE2-O 2.84Å; H295-F312 HydrophobicContact CB-CE1 3.99Å; H295-F312 HydrophobicContact CB-CZ 4.02Å; H295-F312 AromaticContact CD2-CZ 3.96Å
296P94.8Very high87.2Confident71 Ų7148.1 Ų48.146%0.46127%0.271SS..THydrogen-bonded Turntrans-64-3.5-173.1-25.835.5000117Y293Y293-P296 WeakPolarHBondContact OH-CG 3.4Å
297E95.3Very high89Confident73 Ų7355 Ų5534%0.34130%0.296SS..THydrogen-bonded Turntrans-102.9-0.4176.7-60.6175.9170.300112.3H295 N300 H304 W305H295-E297 IonicContact CE1-OE2 3.92Å; H295-E297 PolarHBondContact ND1-N 2.69Å; H295-E297 PolarHBondContact O-N 2.79Å; E297-N300 WeakPolarHBondContact O-CB 3.47Å; E297-N300 PolarHBondContact O-ND2 2.75Å; E297-H304 WeakPolarHBondContact CB-NE2 3.37Å; E297-H304 WeakPolarHBondContact CG-NE2 3.37Å; E297-H304 IonicContact OE1-NE2 2.61Å; E297-H304 IonicContact OE2-CD2 3.66Å; E297-H304 IonicContact OE2-CE1 3.49Å; E297-H304 PolarHBondContact OE2-CE1 3.04Å; E297-H304 CovalentContact OE2-NE2 1.8Å; E297-H304 IonicContact OE2-NE2 3.63Å; E297-H304 PolarHBondContact OE2-NE2 3Å; E297-W305 HydrophobicContact CB-CH2 3.93Å; E297-W305 HydrophobicContact CB-CZ3 4.18Å
298S94.5Very high90.9Very high24 Ų2453.5 Ų53.517%0.16829%0.289CS..  trans-79.3146.6175.9-59.50000112.3N256 V257 H295 W305N256-S298 WeakPolarHBondContact OD1-CB 3.27Å; V257-S298 PolarHBondContact N-OG 3.33Å; V257-S298 VanDerWaalsContact N-OG 3.08Å; V257-S298 PolarHBondContact O-OG 2.91Å; H295-S298 VanDerWaalsContact O-CB 3.27Å; H295-S298 WeakPolarHBondContact O-CB 3.28Å; H295-S298 PolarHBondContact O-N 3.25Å; H295-S298 PolarHBondContact O-OG 2.91Å; S298-W305 WeakPolarHBondContact OG-CH2 3.43Å; S298-W305 VanDerWaalsContact OG-CZ2 3.31Å; S298-W305 WeakPolarHBondContact OG-CZ2 3.46Å
299P95.4Very high92.9Very high67 Ų6750.9 Ų50.944%0.43527%0.268SS..SBendcis-73.5143.6-10.529.1-34.2000111.7Y255 N256 V348Y255-P299 WeakPolarHBondContact O-CA 3.32Å; N256-P299 WeakPolarHBondContact OD1-CA 3.44Å; N256-P299 WeakPolarHBondContact OD1-CB 3.21Å; P299-V348 HydrophobicContact CB-CG2 4.17Å
300N97Very high94.5Very high39 Ų3950.4 Ų50.421%0.20926%0.261CS..EExtended strand (participates in β ladder)trans-140.7159175.6-131.4-62.7000114H254 Y255 E297 H304 W305H254-N300 CarbonylContact C-O 3.47Å; H254-N300 WeakPolarHBondContact CA-O 3.43Å; Y255-N300 PolarHBondContact N-O 3.5Å; Y255-N300 PolarHBondContact O-N 3.43Å; E297-N300 WeakPolarHBondContact O-CB 3.47Å; E297-N300 PolarHBondContact O-ND2 2.75Å; N300-H304 HydrophobicContact CB-CB 3.99Å; N300-H304 VanDerWaalsContact CG-CG 3.41Å; N300-H304 WeakPolarHBondContact OD1-CB 3.44Å; N300-W305 HydrophobicContact CB-CD2 4.4Å; N300-W305 HydrophobicContact CB-CZ2 3.85Å; N300-W305 PolarHBondContact O-NE1 2.87Å
301T96.3Very high95.5Very high35 Ų3549.9 Ų49.922%0.21526%0.263CS..EExtended strand (participates in β ladder)trans-56.7147.4175.6560000112A253 A303 H304 W305A253-T301 CarbonylContact O-C 3.6Å; A253-T301 VanDerWaalsContact O-CA 3.29Å; A253-T301 WeakPolarHBondContact O-CA 3.31Å; T301-A303 PolarHBondContact O-N 3.09Å; T301-H304 WeakPolarHBondContact O-CA 3.28Å; T301-H304 VanDerWaalsContact O-CB 3.32Å; T301-H304 WeakPolarHBondContact O-CB 3.47Å; T301-H304 PolarHBondContact O-N 3.03Å; T301-H304 WeakPolarHBondContact OG1-CB 3.3Å; T301-H304 PolarHBondContact OG1-N 3.22Å; T301-H304 VanDerWaalsContact OG1-N 3.16Å; T301-W305 VanDerWaalsContact O-CD1 3.29Å; T301-W305 PolarHBondContact O-N 2.96Å
302G96.1Very high96Very high0 Ų047 Ų470%025%0.25CC..Hα-helixtrans-59-31.7170.800000112.2N250 A253 H304 W305 M306N250-G302 VanDerWaalsContact O-CA 3.31Å; N250-G302 WeakPolarHBondContact O-CA 3.21Å; A253-G302 PolarHBondContact O-N 2.73Å; G302-H304 PolarHBondContact O-N 3.03Å; G302-W305 PolarHBondContact O-N 2.93Å; G302-M306 WeakPolarHBondContact O-CB 2.98Å; G302-M306 VanDerWaalsContact O-CG 3.31Å; G302-M306 WeakPolarHBondContact O-CG 3.38Å; G302-M306 PolarHBondContact O-N 3.48Å
303A97.5Very high96.3Very high29 Ų2946 Ų4624%0.2425%0.248CC..Hα-helixtrans-63.7-20.8169.900000114.3L251 T301 R307L251-A303 HydrophobicContact CB-CB 4.21Å; L251-A303 HydrophobicContact CD2-CB 3.79Å; L251-A303 WeakPolarHBondContact O-CB 3.49Å; L251-A303 PolarHBondContact O-N 3.36Å; T301-A303 PolarHBondContact O-N 3.09Å; A303-R307 WeakPolarHBondContact O-CG 3.4Å; A303-R307 PolarHBondContact O-NH1 3.22Å
304H97.9Very high96.3Very high45 Ų4551.3 Ų51.321%0.20827%0.271CS..Hα-helixtrans-79.6-50.1169.717890.5000111.6E297 N300 T301 G302 M306 R307E297-H304 WeakPolarHBondContact CB-NE2 3.37Å; E297-H304 WeakPolarHBondContact CG-NE2 3.37Å; E297-H304 IonicContact OE1-NE2 2.61Å; E297-H304 IonicContact OE2-CD2 3.66Å; E297-H304 IonicContact OE2-CE1 3.49Å; E297-H304 PolarHBondContact OE2-CE1 3.04Å; E297-H304 CovalentContact OE2-NE2 1.8Å; E297-H304 IonicContact OE2-NE2 3.63Å; E297-H304 PolarHBondContact OE2-NE2 3Å; N300-H304 HydrophobicContact CB-CB 3.99Å; N300-H304 VanDerWaalsContact CG-CG 3.41Å; N300-H304 WeakPolarHBondContact OD1-CB 3.44Å; T301-H304 WeakPolarHBondContact O-CA 3.28Å; T301-H304 VanDerWaalsContact O-CB 3.32Å; T301-H304 WeakPolarHBondContact O-CB 3.47Å; T301-H304 PolarHBondContact O-N 3.03Å; T301-H304 WeakPolarHBondContact OG1-CB 3.3Å; T301-H304 PolarHBondContact OG1-N 3.22Å; T301-H304 VanDerWaalsContact OG1-N 3.16Å; G302-H304 PolarHBondContact O-N 3.03Å; H304-M306 PolarHBondContact O-N 2.92Å; H304-R307 VanDerWaalsContact CA-CZ 3.47Å; H304-R307 VanDerWaalsContact CB-NH2 3.35Å; H304-R307 PolarHBondContact ND1-NH2 2.9Å; H304-R307 WeakPolarHBondContact O-CB 3.4Å; H304-R307 PolarHBondContact O-N 3.21Å; H304-R307 VanDerWaalsContact O-N 3.12Å
305W97.8Very high96.4Very high0 Ų048 Ų480%025%0.251CS..Hα-helixtrans-63.9-28.3-177.7-62.1123.6000113.8L249 Y255 V257 H295 E297 S298 N300 T301 G302 I310L249-W305 HydrophobicContact CD1-CB 3.81Å; L249-W305 HydrophobicContact CD1-CG 4.4Å; Y255-W305 PolarHBondContact O-NE1 2.78Å; V257-W305 HydrophobicContact CB-CD2 4.48Å; V257-W305 HydrophobicContact CB-CH2 4.02Å; V257-W305 HydrophobicContact CB-CZ2 3.92Å; V257-W305 HydrophobicContact CB-CZ3 4.37Å; V257-W305 HydrophobicContact CG2-CD2 3.71Å; V257-W305 VanDerWaalsContact CG2-CE2 3.46Å; V257-W305 HydrophobicContact CG2-CE3 4.23Å; V257-W305 HydrophobicContact CG2-CG 4.09Å; V257-W305 HydrophobicContact CG2-CH2 4.22Å; V257-W305 HydrophobicContact CG2-CZ2 3.72Å; V257-W305 HydrophobicContact CG2-CZ3 4.46Å; H295-W305 HydrophobicContact CB-CH2 4Å; H295-W305 HydrophobicContact CB-CZ3 4.43Å; H295-W305 AromaticContact CG-CH2 3.98Å; H295-W305 AromaticContact ND1-CH2 3.47Å; H295-W305 WeakPolarHBondContact ND1-CH2 3.35Å; H295-W305 AromaticContact ND1-CZ3 3.41Å; H295-W305 WeakPolarHBondContact ND1-CZ3 3.45Å; E297-W305 HydrophobicContact CB-CH2 3.93Å; E297-W305 HydrophobicContact CB-CZ3 4.18Å; S298-W305 WeakPolarHBondContact OG-CH2 3.43Å; S298-W305 VanDerWaalsContact OG-CZ2 3.31Å; S298-W305 WeakPolarHBondContact OG-CZ2 3.46Å; N300-W305 HydrophobicContact CB-CD2 4.4Å; N300-W305 HydrophobicContact CB-CZ2 3.85Å; N300-W305 PolarHBondContact O-NE1 2.87Å; T301-W305 VanDerWaalsContact O-CD1 3.29Å; T301-W305 PolarHBondContact O-N 2.96Å; G302-W305 PolarHBondContact O-N 2.93Å; W305-I310 HydrophobicContact CB-CD1 4.02Å; W305-I310 HydrophobicContact CD2-CD1 4.17Å; W305-I310 HydrophobicContact CE3-CD1 3.45Å; W305-I310 VanDerWaalsContact CE3-CD1 3.45Å; W305-I310 HydrophobicContact CE3-CG1 3.81Å; W305-I310 HydrophobicContact CE3-CG2 4.31Å; W305-I310 HydrophobicContact CG-CD1 4.45Å; W305-I310 HydrophobicContact CZ3-CD1 4.23Å; W305-I310 HydrophobicContact CZ3-CG1 4.3Å; W305-I310 HydrophobicContact CZ3-CG2 4.01Å; W305-I310 WeakPolarHBondContact O-CD1 3.43Å
306M97.4Very high96.3Very high51 Ų5150.1 Ų50.125%0.25126%0.26SS..THydrogen-bonded Turntrans-90.22.5177.1-58.2-169.9-68.300114.5I246 G248 L249 L251 G302 H304I246-M306 WeakPolarHBondContact O-CG 3.4Å; G248-M306 PolarHBondContact N-SD 3.03Å; L249-M306 HydrophobicContact CB-CE 4.06Å; L249-M306 HydrophobicContact CB-CG 4.28Å; L249-M306 HydrophobicContact CB-SD 3.89Å; L249-M306 HydrophobicContact CD1-CG 4.36Å; L249-M306 HydrophobicContact CG-CG 4.45Å; L249-M306 HydrophobicContact CG-SD 4.46Å; L249-M306 PolarHBondContact N-SD 3.24Å; L249-M306 WeakPolarHBondContact O-CE 3.41Å; L251-M306 HydrophobicContact CD2-CE 3.47Å; L251-M306 VanDerWaalsContact CD2-CE 3.47Å; L251-M306 HydrophobicContact CG-CE 4.15Å; G302-M306 WeakPolarHBondContact O-CB 2.98Å; G302-M306 VanDerWaalsContact O-CG 3.31Å; G302-M306 WeakPolarHBondContact O-CG 3.38Å; G302-M306 PolarHBondContact O-N 3.48Å; H304-M306 PolarHBondContact O-N 2.92Å
307R97.3Very high96.4Very high161 Ų16146.8 Ų46.861%0.60824%0.238SC*.SBendtrans-77.8-32.5-179.7-97-174.4-53.4-104.516.2114.2A303 H304A303-R307 WeakPolarHBondContact O-CG 3.4Å; A303-R307 PolarHBondContact O-NH1 3.22Å; H304-R307 VanDerWaalsContact CA-CZ 3.47Å; H304-R307 VanDerWaalsContact CB-NH2 3.35Å; H304-R307 PolarHBondContact ND1-NH2 2.9Å; H304-R307 WeakPolarHBondContact O-CB 3.4Å; H304-R307 PolarHBondContact O-N 3.21Å; H304-R307 VanDerWaalsContact O-N 3.12Å
308Q96.4Very high96.3Very high120 Ų12043.3 Ų43.356%0.56122%0.222SC*.SBendtrans-159.5175.5-173.166.9176.411.600112.1I310Q308-I310 PolarHBondContact O-N 3.35Å
309E97Very high96.2Very high79 Ų7945.5 Ų45.537%0.36923%0.232SC..  trans-62.8128.2171.4-179.2175.5138.300112.1C214 S243 F244C214-E309 VanDerWaalsContact CB-CD 3.41Å; C214-E309 HydrophobicContact CB-CG 4.16Å; C214-E309 WeakPolarHBondContact CB-OE2 3.31Å; C214-E309 PolarHBondContact SG-OE2 2.75Å; S243-E309 WeakPolarHBondContact CB-OE1 3.11Å; S243-E309 WeakPolarHBondContact OG-CG 3.32Å; S243-E309 PolarHBondContact OG-OE1 3.16Å; F244-E309 WeakPolarHBondContact O-CA 3.45Å
310I97.1Very high95.9Very high7 Ų745 Ų454%0.03623%0.225CC..EExtended strand (participates in β ladder)trans-94.5116.5178.2-59.1161000108.5S243 F244 I246 W305 Q308 F312S243-I310 WeakPolarHBondContact CA-O 3.43Å; F244-I310 PolarHBondContact N-O 3.27Å; F244-I310 PolarHBondContact O-N 3.15Å; I246-I310 HydrophobicContact CB-CD1 4.43Å; I246-I310 HydrophobicContact CD1-CD1 3.37Å; I246-I310 HydrophobicContact CG1-CD1 3.82Å; W305-I310 HydrophobicContact CB-CD1 4.02Å; W305-I310 HydrophobicContact CD2-CD1 4.17Å; W305-I310 HydrophobicContact CE3-CD1 3.45Å; W305-I310 VanDerWaalsContact CE3-CD1 3.45Å; W305-I310 HydrophobicContact CE3-CG1 3.81Å; W305-I310 HydrophobicContact CE3-CG2 4.31Å; W305-I310 HydrophobicContact CG-CD1 4.45Å; W305-I310 HydrophobicContact CZ3-CD1 4.23Å; W305-I310 HydrophobicContact CZ3-CG1 4.3Å; W305-I310 HydrophobicContact CZ3-CG2 4.01Å; W305-I310 WeakPolarHBondContact O-CD1 3.43Å; Q308-I310 PolarHBondContact O-N 3.35Å; I310-F312 HydrophobicContact CG2-CE2 4.02Å
311S97Very high95.1Very high57 Ų5749.4 Ų49.440%0.39924%0.243SC..EExtended strand (participates in β ladder)trans-111.5126.6-172.3720000113.9S243 H295 G313S243-S311 WeakPolarHBondContact OG-CA 3.21Å; S243-S311 WeakPolarHBondContact OG-CB 3.33Å; H295-S311 PolarHBondContact NE2-O 2.84Å; S311-G313 PolarHBondContact O-N 2.95Å
312F97.4Very high94Very high1 Ų150.1 Ų50.10%0.00426%0.257CS..  trans-89.325.3174.2-68.6-97.2000112L242 F244 V257 V259 Y293 H295 I310 K314 L315 L343L242-F312 HydrophobicContact CB-CB 4.16Å; L242-F312 WeakPolarHBondContact O-CB 3.45Å; L242-F312 PolarHBondContact O-N 2.88Å; F244-F312 HydrophobicContact CD2-CD2 4.06Å; F244-F312 AromaticContact CD2-CE2 3.92Å; F244-F312 HydrophobicContact CD2-CE2 3.92Å; F244-F312 AromaticContact CE2-CD2 3.96Å; F244-F312 HydrophobicContact CE2-CD2 3.96Å; F244-F312 HydrophobicContact CE2-CE2 4.02Å; V257-F312 HydrophobicContact CG1-CZ 4.23Å; V259-F312 HydrophobicContact CB-CD1 4.24Å; V259-F312 HydrophobicContact CB-CE1 4.14Å; V259-F312 HydrophobicContact CG2-CD1 3.71Å; V259-F312 HydrophobicContact CG2-CD2 4.15Å; V259-F312 HydrophobicContact CG2-CE1 3.57Å; V259-F312 HydrophobicContact CG2-CE2 4.03Å; V259-F312 HydrophobicContact CG2-CG 4.01Å; V259-F312 HydrophobicContact CG2-CZ 3.74Å; Y293-F312 AromaticContact CD1-CD1 3.48Å; Y293-F312 HydrophobicContact CD1-CD1 3.48Å; Y293-F312 VanDerWaalsContact CD1-CD1 3.48Å; Y293-F312 AromaticContact CD1-CE1 3.79Å; Y293-F312 HydrophobicContact CD1-CE1 3.79Å; Y293-F312 AromaticContact CE1-CD1 3.6Å; Y293-F312 HydrophobicContact CE1-CD1 3.6Å; Y293-F312 HydrophobicContact CE1-CE1 4.05Å; H295-F312 HydrophobicContact CB-CE1 3.99Å; H295-F312 HydrophobicContact CB-CZ 4.02Å; H295-F312 AromaticContact CD2-CZ 3.96Å; I310-F312 HydrophobicContact CG2-CE2 4.02Å; F312-K314 PolarHBondContact O-N 2.8Å; F312-L315 HydrophobicContact CB-CB 4.38Å; F312-L315 HydrophobicContact CB-CD1 4.4Å; F312-L315 HydrophobicContact CD1-CD1 4.31Å; F312-L315 WeakPolarHBondContact O-CB 3.3Å; F312-L315 PolarHBondContact O-N 3.48Å; F312-L343 HydrophobicContact CE2-CD1 3.71Å; F312-L343 HydrophobicContact CZ-CD1 3.7Å
313G95.8Very high92.5Very high19 Ų1951.8 Ų51.820%0.19627%0.271CS..THydrogen-bonded Turntrans-63.1-9.7-177.200000115.6R237 S311R237-G313 WeakPolarHBondContact CD-O 3.39Å; R237-G313 PolarHBondContact NE-O 2.92Å; S311-G313 PolarHBondContact O-N 2.95Å
314K94.7Very high90.6Very high116 Ų11655.3 Ų55.350%0.50429%0.286SS..THydrogen-bonded Turntrans-90.2-19.7173-69.2172.2-176.1169.10113.4Y293 F312 K316Y293-K314 WeakPolarHBondContact OH-CB 3.44Å; F312-K314 PolarHBondContact O-N 2.8Å; K314-K316 PolarHBondContact O-N 3.33Å
315L95.4Very high88.5Confident0 Ų059.9 Ų59.90%031%0.312CS..  trans-60.6129.2-177.8-171.5168000111.3R237 M238 V259 Y293 F312 L317 I331R237-L315 WeakPolarHBondContact CA-O 3.34Å; M238-L315 HydrophobicContact CE-CB 4.3Å; M238-L315 HydrophobicContact CE-CD1 3.93Å; M238-L315 HydrophobicContact CE-CD2 3.87Å; M238-L315 HydrophobicContact CE-CG 4.26Å; M238-L315 HydrophobicContact CG-CD2 4.33Å; M238-L315 HydrophobicContact SD-CD2 4.05Å; V259-L315 HydrophobicContact CB-CD1 4.27Å; V259-L315 HydrophobicContact CG1-CD1 4.18Å; Y293-L315 HydrophobicContact CD1-CB 4.25Å; Y293-L315 HydrophobicContact CD1-CD1 3.97Å; Y293-L315 HydrophobicContact CD1-CG 4.21Å; Y293-L315 HydrophobicContact CD2-CB 3.81Å; Y293-L315 HydrophobicContact CD2-CD1 4.25Å; Y293-L315 HydrophobicContact CD2-CG 3.65Å; Y293-L315 HydrophobicContact CE1-CB 4.3Å; Y293-L315 HydrophobicContact CE2-CB 3.83Å; Y293-L315 HydrophobicContact CE2-CG 4.22Å; Y293-L315 HydrophobicContact CG-CB 4.03Å; Y293-L315 HydrophobicContact CG-CD1 3.71Å; Y293-L315 HydrophobicContact CG-CG 3.65Å; F312-L315 HydrophobicContact CB-CB 4.38Å; F312-L315 HydrophobicContact CB-CD1 4.4Å; F312-L315 HydrophobicContact CD1-CD1 4.31Å; F312-L315 WeakPolarHBondContact O-CB 3.3Å; F312-L315 PolarHBondContact O-N 3.48Å; L315-L317 HydrophobicContact CD2-CD2 3.61Å; L315-L317 HydrophobicContact CD2-CG 4.36Å; L315-I331 HydrophobicContact CD1-CD1 4.13Å; L315-I331 HydrophobicContact CD2-CD1 4.23Å; L315-I331 HydrophobicContact CG-CD1 4.36Å
316K95Very high86.4Confident59 Ų5967.1 Ų67.126%0.25735%0.35SS..EExtended strand (participates in β ladder)trans-113.9144179-75177168.9-164.50112.5Q234 R236 R237 K314 Q329 M330 I331Q234-K316 PolarHBondContact O-NZ 3.21Å; R236-K316 CarbonylContact O-C 3.58Å; R236-K316 VanDerWaalsContact O-CA 3.32Å; R236-K316 WeakPolarHBondContact O-CA 3.48Å; R237-K316 HydrophobicContact CG-CG 4.29Å; K314-K316 PolarHBondContact O-N 3.33Å; K316-Q329 PolarHBondContact N-O 2.99Å; K316-M330 HydrophobicContact CB-CG 3.92Å; K316-M330 HydrophobicContact CD-CG 4.08Å; K316-M330 HydrophobicContact CD-SD 4.34Å; K316-M330 WeakPolarHBondContact O-CA 3.44Å; K316-I331 PolarHBondContact O-N 3.05Å
317L95.7Very high84.8Confident0 Ų068.1 Ų68.10%036%0.357CS..EExtended strand (participates in β ladder)trans-108.2134.4173-52.4-178.4000111.1M229 I231 G235 R236 M238 I261 L315 I331 L333 F372M229-L317 HydrophobicContact CB-CD1 3.86Å; M229-L317 HydrophobicContact CG-CD1 4.38Å; I231-L317 HydrophobicContact CG2-CB 3.76Å; I231-L317 HydrophobicContact CG2-CD1 4.49Å; G235-L317 WeakPolarHBondContact CA-O 3.44Å; R236-L317 PolarHBondContact N-O 3.12Å; R236-L317 PolarHBondContact O-N 3.28Å; M238-L317 HydrophobicContact CG-CD1 3.76Å; M238-L317 HydrophobicContact CG-CD2 4.4Å; M238-L317 HydrophobicContact CG-CG 3.9Å; M238-L317 HydrophobicContact SD-CD1 4.2Å; M238-L317 HydrophobicContact SD-CD2 4.36Å; M238-L317 HydrophobicContact SD-CG 4.43Å; I261-L317 HydrophobicContact CD1-CD2 3.67Å; L315-L317 HydrophobicContact CD2-CD2 3.61Å; L315-L317 HydrophobicContact CD2-CG 4.36Å; L317-I331 WeakPolarHBondContact CA-O 3.41Å; L317-I331 HydrophobicContact CD2-CB 4.11Å; L317-I331 HydrophobicContact CD2-CG2 4.33Å; L317-L333 HydrophobicContact CB-CD1 4.37Å; L317-L333 HydrophobicContact CD1-CD1 3.96Å; L317-L333 HydrophobicContact CD2-CD1 3.98Å; L317-L333 HydrophobicContact CG-CD1 4.33Å; L317-F372 HydrophobicContact CD1-CE2 3.95Å; L317-F372 HydrophobicContact CD1-CZ 3.78Å
318T93.9Very high83.4Confident0 Ų065.6 Ų65.60%036%0.359CS..EExtended strand (participates in β ladder)trans-132.6156.9179.6-171.20000112.8T232 N320 A323 M330 I331 V332 L333T232-T318 VanDerWaalsContact O-CA 3.3Å; T232-T318 WeakPolarHBondContact O-CA 3.42Å; T232-T318 VanDerWaalsContact O-CB 3.25Å; T232-T318 WeakPolarHBondContact O-CB 3.49Å; T232-T318 PolarHBondContact O-OG1 2.83Å; T318-N320 PolarHBondContact OG1-N 2.92Å; T318-N320 VanDerWaalsContact OG1-N 3.14Å; T318-A323 HydrophobicContact CG2-CB 4.3Å; T318-M330 HydrophobicContact CG2-CE 3.72Å; T318-I331 PolarHBondContact N-O 2.67Å; T318-V332 HydrophobicContact CG2-CB 4.34Å; T318-V332 HydrophobicContact CG2-CG2 3.85Å; T318-V332 WeakPolarHBondContact O-CA 3.25Å; T318-L333 PolarHBondContact O-N 3.14Å
319N92.3Very high82.6Confident71 Ų7163.8 Ų63.838%0.3835%0.351SS..  trans-96.4-1.5168.364.7-23000113.7I231 K233 K321 L333I231-N319 HydrophobicContact CD1-CB 3.71Å; I231-N319 HydrophobicContact CG1-CB 4.04Å; K233-N319 PolarHBondContact N-OD1 3.17Å; N319-K321 PolarHBondContact O-N 3.11Å; N319-K321 VanDerWaalsContact O-N 3.16Å; N319-L333 WeakPolarHBondContact CA-O 3.38Å
320N88.6Confident82.2Confident56 Ų5661.1 Ų61.130%0.29934%0.339SS..  trans-79.799.6-175.3-177.816.1000111.5T318 G322 A323T318-N320 PolarHBondContact OG1-N 2.92Å; T318-N320 VanDerWaalsContact OG1-N 3.14Å; N320-G322 PolarHBondContact O-N 2.93Å; N320-G322 WeakPolarHBondContact OD1-CA 3.3Å; N320-G322 PolarHBondContact OD1-N 3.46Å; N320-A323 HydrophobicContact CB-CB 4.05Å; N320-A323 PolarHBondContact ND2-N 2.98Å; N320-A323 VanDerWaalsContact O-CB 3.29Å; N320-A323 WeakPolarHBondContact O-CB 3.33Å; N320-A323 PolarHBondContact O-N 2.88Å
321K80.8Confident82Confident131 Ų13160.8 Ų60.857%0.5734%0.337SS*.THydrogen-bonded Turntrans-57.4-26.3173.1-64-169.8-179.9-170.20113.3N319N319-K321 PolarHBondContact O-N 3.11Å; N319-K321 VanDerWaalsContact O-N 3.16Å
322G72Confident81.8Confident50 Ų5058.4 Ų58.452%0.51532%0.32SS..THydrogen-bonded Turntrans-91.615.7175.300000114.7N320 N324N320-G322 PolarHBondContact O-N 2.93Å; N320-G322 WeakPolarHBondContact OD1-CA 3.3Å; N320-G322 PolarHBondContact OD1-N 3.46Å; G322-N324 PolarHBondContact O-N 3.26Å; G322-N324 PolarHBondContact O-OD1 3.35Å
323A65.4Low81.6Confident35 Ų3558.5 Ų58.529%0.28932%0.321SS..  trans-78.870.217100000110.3T318 N320 V332T318-A323 HydrophobicContact CG2-CB 4.3Å; N320-A323 HydrophobicContact CB-CB 4.05Å; N320-A323 PolarHBondContact ND2-N 2.98Å; N320-A323 VanDerWaalsContact O-CB 3.29Å; N320-A323 WeakPolarHBondContact O-CB 3.33Å; N320-A323 PolarHBondContact O-N 2.88Å; A323-V332 HydrophobicContact CB-CG2 4.47Å
324N58.4Low81.5Confident104 Ų10458.9 Ų58.956%0.55632%0.317SS*.  trans-79.6136.5-177.957.2-15.8000112.5G322 N326G322-N324 PolarHBondContact O-N 3.26Å; G322-N324 PolarHBondContact O-OD1 3.35Å; N324-N326 PolarHBondContact O-N 3.4Å
325N53.8Low81.5Confident140 Ų14054.8 Ų54.875%0.74930%0.303SS*.SBendtrans57.7-50.6153-50.72.2000118.9N327N325-N327 PolarHBondContact O-N 3.08Å; N325-N327 VanDerWaalsContact O-N 3.07Å
326N54.2Low81.6Confident152 Ų15257 Ų5781%0.81332%0.315SS*.SBendtrans-68.9-12.9-163.8-53.5-8.7000114.1N324N324-N326 PolarHBondContact O-N 3.4Å
327N62.7Low81.6Confident72 Ų7254.6 Ų54.639%0.38530%0.304SS..  trans-138.287.4179.4-165.5-20.4000110.9N325 Q329 M330N325-N327 PolarHBondContact O-N 3.08Å; N325-N327 VanDerWaalsContact O-N 3.07Å; N327-Q329 PolarHBondContact O-N 3.01Å; N327-Q329 VanDerWaalsContact OD1-CB 3.25Å; N327-Q329 WeakPolarHBondContact OD1-CB 3.49Å; N327-Q329 PolarHBondContact OD1-N 3.46Å; N327-Q329 VanDerWaalsContact OD1-N 3.17Å; N327-M330 HydrophobicContact CB-SD 4.36Å; N327-M330 PolarHBondContact O-N 2.91Å
328T67.2Low81.7Confident108 Ų10857 Ų5766%0.66332%0.315SS*.THydrogen-bonded Turntrans-59.5-7.5176.652.80000114.3M330T328-M330 VanDerWaalsContact C-N 3.29Å; T328-M330 PolarHBondContact O-N 2.92Å
329Q80Confident81.9Confident83 Ų8357.1 Ų57.139%0.38832%0.315SS..THydrogen-bonded Turntrans-85.73.8180-51.6-179-1.500113.8Y293 K316 N327Y293-Q329 HydrophobicContact CD2-CB 4.44Å; Y293-Q329 HydrophobicContact CE2-CB 3.86Å; Y293-Q329 HydrophobicContact CE2-CG 4.34Å; K316-Q329 PolarHBondContact N-O 2.99Å; N327-Q329 PolarHBondContact O-N 3.01Å; N327-Q329 VanDerWaalsContact OD1-CB 3.25Å; N327-Q329 WeakPolarHBondContact OD1-CB 3.49Å; N327-Q329 PolarHBondContact OD1-N 3.46Å; N327-Q329 VanDerWaalsContact OD1-N 3.17Å
330M89.4Confident82.1Confident23 Ų2354.5 Ų54.511%0.11330%0.301CS..EExtended strand (participates in β ladder)trans-121.7125.9-171.9-66.4-176.953.800112.7N290 K316 T318 N327 T328N290-M330 PolarHBondContact ND2-O 3.21Å; K316-M330 HydrophobicContact CB-CG 3.92Å; K316-M330 HydrophobicContact CD-CG 4.08Å; K316-M330 HydrophobicContact CD-SD 4.34Å; K316-M330 WeakPolarHBondContact O-CA 3.44Å; T318-M330 HydrophobicContact CG2-CE 3.72Å; N327-M330 HydrophobicContact CB-SD 4.36Å; N327-M330 PolarHBondContact O-N 2.91Å; T328-M330 VanDerWaalsContact C-N 3.29Å; T328-M330 PolarHBondContact O-N 2.92Å
331I92.9Very high82.6Confident0 Ų052 Ų520%029%0.288CS..EExtended strand (participates in β ladder)trans-100.8136.1171.5-69.8176.9000109.5I261 K291 L315 K316 L317 T318 L333I261-I331 HydrophobicContact CB-CD1 4.48Å; I261-I331 HydrophobicContact CB-CG2 4.3Å; I261-I331 HydrophobicContact CD1-CD1 3.76Å; I261-I331 HydrophobicContact CD1-CG2 4.24Å; I261-I331 HydrophobicContact CG1-CD1 3.86Å; K291-I331 WeakPolarHBondContact O-CD1 3.39Å; L315-I331 HydrophobicContact CD1-CD1 4.13Å; L315-I331 HydrophobicContact CD2-CD1 4.23Å; L315-I331 HydrophobicContact CG-CD1 4.36Å; K316-I331 PolarHBondContact O-N 3.05Å; L317-I331 WeakPolarHBondContact CA-O 3.41Å; L317-I331 HydrophobicContact CD2-CB 4.11Å; L317-I331 HydrophobicContact CD2-CG2 4.33Å; T318-I331 PolarHBondContact N-O 2.67Å; I331-L333 HydrophobicContact CG2-CD2 3.75Å; I331-L333 HydrophobicContact CG2-CG 4.13Å
332V92.6Very high83.4Confident7 Ų749.6 Ų49.64%0.04228%0.275CS..EExtended strand (participates in β ladder)trans-100121.2-177.1-173.90000110.5N290 T318 A323N290-V332 PolarHBondContact O-N 3.46Å; T318-V332 HydrophobicContact CG2-CB 4.34Å; T318-V332 HydrophobicContact CG2-CG2 3.85Å; T318-V332 WeakPolarHBondContact O-CA 3.25Å; A323-V332 HydrophobicContact CB-CG2 4.47Å
333L93.6Very high84.6Confident3 Ų347.3 Ų47.32%0.01625%0.251CS..  trans-127.9152.4-179.5-53.8-179.8000111I231 I261 L317 T318 N319 I331 Y339 F372 A374I231-L333 HydrophobicContact CG2-CD1 4.47Å; I261-L333 HydrophobicContact CB-CD2 4.4Å; I261-L333 HydrophobicContact CG2-CD1 4.46Å; I261-L333 HydrophobicContact CG2-CD2 3.87Å; L317-L333 HydrophobicContact CB-CD1 4.37Å; L317-L333 HydrophobicContact CD1-CD1 3.96Å; L317-L333 HydrophobicContact CD2-CD1 3.98Å; L317-L333 HydrophobicContact CG-CD1 4.33Å; T318-L333 PolarHBondContact O-N 3.14Å; N319-L333 WeakPolarHBondContact CA-O 3.38Å; I331-L333 HydrophobicContact CG2-CD2 3.75Å; I331-L333 HydrophobicContact CG2-CG 4.13Å; L333-Y339 HydrophobicContact CB-CE1 4.42Å; L333-Y339 HydrophobicContact CB-CE2 4.11Å; L333-Y339 HydrophobicContact CD1-CD2 4.21Å; L333-Y339 HydrophobicContact CD1-CE2 4.24Å; L333-Y339 HydrophobicContact CD1-CG 4.47Å; L333-Y339 HydrophobicContact CD2-CD1 3.85Å; L333-Y339 HydrophobicContact CD2-CE1 3.63Å; L333-Y339 HydrophobicContact CD2-CE2 4.44Å; L333-Y339 HydrophobicContact CD2-CG 4.36Å; L333-Y339 HydrophobicContact CG-CE1 4.47Å; L333-F372 HydrophobicContact CD1-CE2 3.82Å; L333-F372 HydrophobicContact CD1-CZ 3.78Å; L333-A374 HydrophobicContact CB-CB 4.35Å; L333-A374 HydrophobicContact CD1-CB 4.15Å
334Q93.2Very high86.1Confident27 Ų2746.1 Ų46.113%0.12624%0.239CC..  trans-81.8142.7160.5-81.2167.342.400110.3M286 H337 Y339 A374M286-Q334 HydrophobicContact CE-CB 3.78Å; M286-Q334 HydrophobicContact CE-CG 3.76Å; M286-Q334 HydrophobicContact SD-CB 4.09Å; M286-Q334 HydrophobicContact SD-CG 3.56Å; M286-Q334 VanDerWaalsContact SD-CG 3.56Å; Q334-H337 PolarHBondContact OE1-CE1 3.01Å; Q334-H337 VanDerWaalsContact OE1-CE1 3.28Å; Q334-Y339 PolarHBondContact N-OH 3.28Å; Q334-Y339 WeakPolarHBondContact O-CE2 3.3Å; Q334-Y339 PolarHBondContact O-OH 2.91Å; Q334-A374 WeakPolarHBondContact O-CB 3.45Å
335S95.4Very high87.8Confident29 Ų2941.2 Ų41.220%0.20321%0.213CC..THydrogen-bonded Turntrans-63161.1166.3-167.30000110.5H337 A374 V375 T376S335-H337 PolarHBondContact O-N 3.3Å; S335-H337 PolarHBondContact O-ND1 3.44Å; S335-A374 CarbonylContact C-O 3.57Å; S335-A374 WeakPolarHBondContact CA-O 3.21Å; S335-V375 WeakPolarHBondContact OG-CA 3.47Å; S335-T376 PolarHBondContact OG-N 2.93Å
336L96.3Very high89.7Confident48 Ų4835.1 Ų35.125%0.25118%0.181SC..THydrogen-bonded Turntrans61.724.2174.2-60.3-175000114.7H268 W269 W276 A374H268-L336 PolarHBondContact CD2-O 3.06Å; H268-L336 WeakPolarHBondContact NE2-CB 3.29Å; W269-L336 WeakPolarHBondContact CB-O 3.41Å; W269-L336 PolarHBondContact N-O 3.14Å; W269-L336 WeakPolarHBondContact O-CB 3.48Å; W276-L336 HydrophobicContact CH2-CD2 3.96Å; W276-L336 HydrophobicContact CZ3-CD2 3.99Å; L336-A374 PolarHBondContact N-O 3.35Å
337H95.6Very high91.5Very high7 Ų731.5 Ų31.53%0.03216%0.159CC..EExtended strand (participates in β ladder)trans-125.1148.3177.1-71.784.7000110.5L263 N267 H268 A282 Q334 S335 Y339 I373 A374L263-H337 HydrophobicContact CD2-CB 3.9Å; N267-H337 PolarHBondContact O-CD2 2.93Å; N267-H337 VanDerWaalsContact O-CD2 3.31Å; H268-H337 AromaticContact CD2-CE1 3.7Å; A282-H337 VanDerWaalsContact CA-NE2 3.33Å; A282-H337 WeakPolarHBondContact CA-NE2 3.44Å; A282-H337 VanDerWaalsContact CB-CD2 3.4Å; A282-H337 WeakPolarHBondContact CB-CD2 3.29Å; A282-H337 WeakPolarHBondContact CB-NE2 3.42Å; Q334-H337 PolarHBondContact OE1-CE1 3.01Å; Q334-H337 VanDerWaalsContact OE1-CE1 3.28Å; S335-H337 PolarHBondContact O-N 3.3Å; S335-H337 PolarHBondContact O-ND1 3.44Å; H337-Y339 HydrophobicContact CB-CE2 3.67Å; H337-Y339 VanDerWaalsContact O-CD2 3.23Å; H337-Y339 WeakPolarHBondContact O-CD2 3.4Å; H337-Y339 WeakPolarHBondContact O-CE2 3.37Å; H337-I373 WeakPolarHBondContact O-CA 3.4Å; H337-A374 PolarHBondContact O-N 3.25Å
338K97.1Very high92.7Very high50 Ų5030 Ų3022%0.21715%0.152CC..EExtended strand (participates in β ladder)trans-94.7135.2-179.6-163.6-168.8179.6-162.10110.7A264 D265 W269 F372 I373A264-K338 HydrophobicContact CB-CB 4.34Å; A264-K338 HydrophobicContact CB-CD 4.05Å; A264-K338 HydrophobicContact CB-CG 4.01Å; A264-K338 PolarHBondContact N-O 3.02Å; D265-K338 WeakPolarHBondContact OD2-CB 3.49Å; D265-K338 WeakPolarHBondContact OD2-CD 3.32Å; W269-K338 HydrophobicContact CZ2-CD 4.39Å; K338-F372 CarbonylContact C-O 3.59Å; K338-F372 WeakPolarHBondContact CA-O 3.34Å; K338-I373 HydrophobicContact CB-CG1 4.15Å; K338-I373 HydrophobicContact CG-CG1 4.05Å
339Y97.6Very high93.3Very high4 Ų426.6 Ų26.62%0.01613%0.132CC..EExtended strand (participates in β ladder)trans-127.9154.3-175.4-62.1-86.4000112.6I261 V262 L263 M286 L333 Q334 H337 Q371 F372 A374I261-Y339 HydrophobicContact CG2-CD1 3.91Å; I261-Y339 HydrophobicContact CG2-CG 3.98Å; V262-Y339 CarbonylContact O-C 3.53Å; V262-Y339 WeakPolarHBondContact O-CA 3.43Å; V262-Y339 WeakPolarHBondContact O-CB 3.32Å; V262-Y339 WeakPolarHBondContact O-CD1 3.1Å; L263-Y339 HydrophobicContact CD2-CD1 3.96Å; L263-Y339 HydrophobicContact CD2-CE1 3.43Å; L263-Y339 VanDerWaalsContact CD2-CE1 3.43Å; L263-Y339 HydrophobicContact CG-CD1 4.33Å; L263-Y339 HydrophobicContact CG-CE1 3.93Å; M286-Y339 HydrophobicContact CE-CE1 4.47Å; M286-Y339 WeakPolarHBondContact CE-OH 3.32Å; L333-Y339 HydrophobicContact CB-CE1 4.42Å; L333-Y339 HydrophobicContact CB-CE2 4.11Å; L333-Y339 HydrophobicContact CD1-CD2 4.21Å; L333-Y339 HydrophobicContact CD1-CE2 4.24Å; L333-Y339 HydrophobicContact CD1-CG 4.47Å; L333-Y339 HydrophobicContact CD2-CD1 3.85Å; L333-Y339 HydrophobicContact CD2-CE1 3.63Å; L333-Y339 HydrophobicContact CD2-CE2 4.44Å; L333-Y339 HydrophobicContact CD2-CG 4.36Å; L333-Y339 HydrophobicContact CG-CE1 4.47Å; Q334-Y339 PolarHBondContact N-OH 3.28Å; Q334-Y339 WeakPolarHBondContact O-CE2 3.3Å; Q334-Y339 PolarHBondContact O-OH 2.91Å; H337-Y339 HydrophobicContact CB-CE2 3.67Å; H337-Y339 VanDerWaalsContact O-CD2 3.23Å; H337-Y339 WeakPolarHBondContact O-CD2 3.4Å; H337-Y339 WeakPolarHBondContact O-CE2 3.37Å; Y339-Q371 VanDerWaalsContact O-CA 3.28Å; Y339-Q371 WeakPolarHBondContact O-CA 3.2Å; Y339-F372 HydrophobicContact CD2-CE2 4.02Å; Y339-F372 HydrophobicContact CD2-CZ 4.49Å; Y339-F372 HydrophobicContact CG-CE2 4.43Å; Y339-F372 HydrophobicContact CG-CZ 4.47Å; Y339-F372 PolarHBondContact N-O 3.01Å; Y339-F372 PolarHBondContact O-N 3.19Å; Y339-F372 VanDerWaalsContact O-N 3.12Å; Y339-A374 HydrophobicContact CD2-CB 3.93Å; Y339-A374 HydrophobicContact CE2-CB 3.58Å
340Q97.9Very high92.6Very high15 Ų1532.3 Ų32.37%0.0716%0.158CC..EExtended strand (participates in β ladder)trans-122.3114.7174173.466.477.800108.5V262 A264 T366 F367 Q371V262-Q340 HydrophobicContact CG2-CB 4.07Å; V262-Q340 WeakPolarHBondContact CG2-O 3.44Å; V262-Q340 PolarHBondContact N-O 2.79Å; V262-Q340 VanDerWaalsContact N-O 3.1Å; V262-Q340 PolarHBondContact O-N 2.67Å; A264-Q340 HydrophobicContact CB-CB 4.17Å; Q340-T366 HydrophobicContact CG-CG2 3.55Å; Q340-F367 PolarHBondContact NE2-O 2.84Å; Q340-Q371 HydrophobicContact CB-CG 4.24Å
341P97.8Very high91.3Very high4 Ų437.7 Ų37.73%0.02619%0.187CC..EExtended strand (participates in β ladder)trans-67.2142.2165.4-22.235.2000111.8L242 V259 E260 N370 F372L242-P341 HydrophobicContact CD1-CB 3.61Å; L242-P341 HydrophobicContact CD1-CG 4.1Å; L242-P341 HydrophobicContact CD2-CB 4.26Å; L242-P341 HydrophobicContact CD2-CG 4.36Å; V259-P341 HydrophobicContact CG1-CB 4.49Å; E260-P341 WeakPolarHBondContact O-CA 3.49Å; P341-N370 VanDerWaalsContact CD-O 3.25Å; P341-N370 WeakPolarHBondContact CD-O 3.43Å; P341-N370 HydrophobicContact CG-CB 4.11Å; P341-F372 HydrophobicContact CG-CD1 4.19Å; P341-F372 HydrophobicContact CG-CE1 3.9Å
342R97.4Very high89.6Confident81 Ų8140.4 Ų40.431%0.30622%0.216SC..EExtended strand (participates in β ladder)trans-127.9131.1173.1-57.6169.277.6-157.99107.7V259 E260 V262 H344 T364 F365V259-R342 CarbonylContact C-O 3.57Å; V259-R342 VanDerWaalsContact CA-O 3.3Å; V259-R342 WeakPolarHBondContact CA-O 3.38Å; E260-R342 HydrophobicContact CB-CB 4.44Å; E260-R342 PolarHBondContact N-O 3.17Å; E260-R342 PolarHBondContact O-N 3.15Å; E260-R342 WeakPolarHBondContact OE2-CD 3.33Å; E260-R342 IonicContact OE2-CZ 2.77Å; E260-R342 IonicContact OE2-NE 3.18Å; E260-R342 IonicContact OE2-NH1 3.97Å; E260-R342 PolarHBondContact OE2-NH1 3.06Å; V262-R342 HydrophobicContact CG2-CG 4.37Å; R342-H344 WeakPolarHBondContact CB-NE2 3.41Å; R342-T364 HydrophobicContact CB-CG2 4.15Å; R342-F365 WeakPolarHBondContact CA-O 3.45Å
343L97.8Very high87.9Confident2 Ų244.2 Ų44.21%0.0124%0.239CC..EExtended strand (participates in β ladder)trans-93132.8169.8-177.176.3000108.5V211 F244 I246 V257 V259 F312 T364 F365V211-L343 HydrophobicContact CG1-CD2 3.66Å; V211-L343 HydrophobicContact CG2-CD2 4.29Å; F244-L343 HydrophobicContact CB-CD2 4.39Å; F244-L343 HydrophobicContact CD1-CD2 4.42Å; F244-L343 HydrophobicContact CD2-CD1 3.97Å; F244-L343 HydrophobicContact CD2-CD2 3.9Å; F244-L343 HydrophobicContact CD2-CG 4.44Å; F244-L343 HydrophobicContact CE2-CB 4.32Å; F244-L343 HydrophobicContact CE2-CD1 3.85Å; F244-L343 HydrophobicContact CE2-CD2 4.24Å; F244-L343 HydrophobicContact CE2-CG 4.36Å; F244-L343 HydrophobicContact CG-CD2 3.99Å; F244-L343 HydrophobicContact CZ-CB 4.31Å; I246-L343 HydrophobicContact CD1-CD2 4.3Å; V257-L343 HydrophobicContact CG1-CD1 3.87Å; V259-L343 HydrophobicContact CG2-CD1 3.85Å; F312-L343 HydrophobicContact CE2-CD1 3.71Å; F312-L343 HydrophobicContact CZ-CD1 3.7Å; L343-T364 CarbonylContact O-C 3.58Å; L343-T364 WeakPolarHBondContact O-CA 3.43Å; L343-F365 HydrophobicContact CB-CB 4.39Å; L343-F365 PolarHBondContact N-O 2.94Å; L343-F365 PolarHBondContact O-N 2.9Å
344H96.2Very high86Confident10 Ų1049.2 Ų49.25%0.04626%0.262CS..EExtended strand (participates in β ladder)trans-117.6139.6176.7-61.2-100.7000109.8V257 F258 E260 R342 Q363 T364V257-H344 WeakPolarHBondContact CA-O 3.24Å; F258-H344 HydrophobicContact CD1-CB 4.1Å; F258-H344 HydrophobicContact CD2-CB 3.7Å; F258-H344 AromaticContact CD2-CD2 3.94Å; F258-H344 AromaticContact CD2-CG 3.98Å; F258-H344 HydrophobicContact CE1-CB 3.83Å; F258-H344 HydrophobicContact CE2-CB 3.4Å; F258-H344 AromaticContact CE2-CD2 3.66Å; F258-H344 AromaticContact CE2-CG 3.45Å; F258-H344 VanDerWaalsContact CE2-CG 3.45Å; F258-H344 HydrophobicContact CG-CB 4.06Å; F258-H344 HydrophobicContact CZ-CB 3.47Å; F258-H344 VanDerWaalsContact CZ-CB 3.47Å; F258-H344 AromaticContact CZ-CG 3.85Å; F258-H344 PolarHBondContact N-O 3.37Å; F258-H344 PolarHBondContact O-N 3.21Å; E260-H344 WeakPolarHBondContact CB-NE2 3.25Å; E260-H344 IonicContact OE2-NE2 1.8Å; R342-H344 WeakPolarHBondContact CB-NE2 3.41Å; H344-Q363 WeakPolarHBondContact CA-O 3.48Å; H344-T364 WeakPolarHBondContact CE1-CG2 3.41Å; H344-T364 PolarHBondContact CE1-OG1 2.85Å; H344-T364 PolarHBondContact ND1-OG1 2.92Å; H344-T364 VanDerWaalsContact ND1-OG1 3.11Å
345I95.6Very high84.2Confident1 Ų152.5 Ų52.51%0.00528%0.28CS..EExtended strand (participates in β ladder)trans-126.7120.9172.3-50.2173.4000106.8A209 V211 I246 L249 Y255 N256 V257 Q363 F365A209-I345 HydrophobicContact CB-CD1 3.86Å; V211-I345 HydrophobicContact CG2-CD1 3.92Å; I246-I345 HydrophobicContact CD1-CD1 3.82Å; I246-I345 HydrophobicContact CD1-CG1 4.44Å; I246-I345 HydrophobicContact CG2-CD1 4.03Å; L249-I345 HydrophobicContact CD2-CG2 4.04Å; Y255-I345 HydrophobicContact CD1-CG2 3.74Å; Y255-I345 HydrophobicContact CG-CG2 4.17Å; N256-I345 WeakPolarHBondContact O-CA 3.48Å; V257-I345 HydrophobicContact CG2-CG1 4.47Å; V257-I345 HydrophobicContact CG2-CG2 4.3Å; I345-Q363 HydrophobicContact CB-CB 4.46Å; I345-Q363 PolarHBondContact N-O 3.49Å; I345-Q363 PolarHBondContact O-N 3.21Å; I345-F365 HydrophobicContact CD1-CD2 4.22Å; I345-F365 HydrophobicContact CD1-CE2 3.68Å; I345-F365 HydrophobicContact CD1-CZ 4.48Å; I345-F365 HydrophobicContact CG1-CD2 4.46Å; I345-F365 HydrophobicContact CG1-CE2 4.14Å
346V93.6Very high82.4Confident12 Ų1255.8 Ų55.87%0.07329%0.294CS..EExtended strand (participates in β ladder)trans-122125.7-179.5-177.50000108.5Y255 N256 F258 T362Y255-V346 CarbonylContact C-O 3.6Å; Y255-V346 VanDerWaalsContact CA-O 3.22Å; Y255-V346 WeakPolarHBondContact CA-O 3.25Å; N256-V346 PolarHBondContact N-O 2.88Å; N256-V346 PolarHBondContact O-N 3.28Å; F258-V346 HydrophobicContact CE1-CG2 3.72Å; F258-V346 HydrophobicContact CZ-CG2 4.28Å; V346-T362 HydrophobicContact CG2-CG2 3.9Å
347E90.9Very high80.4Confident76 Ų7660.4 Ų60.436%0.35532%0.319SS..EExtended strand (participates in β ladder)trans-76.1126.5174-161.1163.613100110.1A253 Y255A253-E347 HydrophobicContact CB-CG 4.06Å; Y255-E347 HydrophobicContact CD1-CB 3.83Å; Y255-E347 HydrophobicContact CD1-CG 4.04Å; Y255-E347 HydrophobicContact CE1-CB 3.54Å; Y255-E347 HydrophobicContact CE1-CG 3.51Å; Y255-E347 WeakPolarHBondContact CE1-OE2 3.19Å; Y255-E347 PolarHBondContact OH-OE2 3.22Å
348V88.3Confident78.8Confident40 Ų4062.6 Ų62.624%0.24233%0.331CS..EExtended strand (participates in β ladder)trans-88.8116.3-178.8-176.20000108.5H254 N256 P299H254-V348 HydrophobicContact CB-CB 4.22Å; H254-V348 PolarHBondContact O-N 3.22Å; N256-V348 HydrophobicContact CB-CG2 4.43Å; P299-V348 HydrophobicContact CB-CG2 4.17Å
349T80.4Confident77Confident37 Ų3768.3 Ų68.323%0.22736%0.358CS..PPolyproline II helixtrans-84.9150177.440.50000112.9D351 G352 R361T349-D351 PolarHBondContact O-N 3.12Å; T349-D351 VanDerWaalsContact O-N 3.12Å; T349-G352 PolarHBondContact O-N 3.45Å; T349-G352 VanDerWaalsContact O-N 3.12Å; T349-R361 VanDerWaalsContact CG2-NH1 3.29Å; T349-R361 PolarHBondContact OG1-NH1 3.12Å
350E65.9Low75.3Confident203 Ų20372.8 Ų72.895%0.94940%0.396SS*.THydrogen-bonded Turntrans-59.6-24.2-173.6-165.3167-165.100113.9G352E350-G352 PolarHBondContact O-N 2.88Å; E350-G352 VanDerWaalsContact O-N 3.09Å
351D62.3Low74.1Confident135 Ų13577.3 Ų77.372%0.72241%0.412SS*.THydrogen-bonded Turntrans-63.9-9175.3-50.8-71.4000114.5T349 V353T349-D351 PolarHBondContact O-N 3.12Å; T349-D351 VanDerWaalsContact O-N 3.12Å; D351-V353 PolarHBondContact O-N 3.28Å
352G55.6Low73.6Confident58 Ų5878.5 Ų78.560%0.59842%0.42SS*.  trans71.6-517500000115.9T349 E350 E354T349-G352 PolarHBondContact O-N 3.45Å; T349-G352 VanDerWaalsContact O-N 3.12Å; E350-G352 PolarHBondContact O-N 2.88Å; E350-G352 VanDerWaalsContact O-N 3.09Å; G352-E354 PolarHBondContact O-N 3.15Å; G352-E354 VanDerWaalsContact O-N 3.12Å
353V56.6Low73.4Confident87 Ų8776.6 Ų76.653%0.52741%0.414SS..  trans-74.997.5173-173.20000109.1D351 D355D351-V353 PolarHBondContact O-N 3.28Å; V353-D355 PolarHBondContact O-N 2.9Å
354E54.2Low73.3Confident107 Ų10779 Ų7950%0.543%0.429SS..  trans-73.673.2171.5-68.9-149.4163.200111.6N256 G352 M356N256-E354 VanDerWaalsContact ND2-CD 3.27Å; N256-E354 PolarHBondContact ND2-OE1 3.26Å; N256-E354 PolarHBondContact ND2-OE2 3.23Å; G352-E354 PolarHBondContact O-N 3.15Å; G352-E354 VanDerWaalsContact O-N 3.12Å; E354-M356 PolarHBondContact O-N 2.9Å
355D55Low73.3Confident96 Ų9680.4 Ų80.451%0.51344%0.435SS..  trans-68.869.2163.9-74.8-32.7000110.2V353 N357 N358V353-D355 PolarHBondContact O-N 2.9Å; D355-N357 PolarHBondContact O-N 3.46Å; D355-N358 HydrophobicContact CB-CB 3.96Å; D355-N358 WeakPolarHBondContact O-CB 3.48Å; D355-N358 PolarHBondContact O-N 3.47Å
356M57.8Low73.4Confident98 Ų9883.7 Ų83.748%0.48346%0.455SS..THydrogen-bonded Turntrans-63.7-6176.7-170.5167.55700113.1F258 E354F258-M356 HydrophobicContact CD1-SD 4.44Å; F258-M356 HydrophobicContact CE1-CG 3.98Å; F258-M356 HydrophobicContact CE1-SD 3.85Å; F258-M356 HydrophobicContact CZ-CG 4.02Å; F258-M356 HydrophobicContact CZ-SD 4.1Å; E354-M356 PolarHBondContact O-N 2.9Å
357N54.3Low73.6Confident146 Ų14684.4 Ų84.478%0.78146%0.457SS*.THydrogen-bonded Turntrans-99.66.8171.1-161.266.4000113.1D355 E359D355-N357 PolarHBondContact O-N 3.46Å; N357-E359 PolarHBondContact O-N 3.48Å
358N61.8Low74Confident53 Ų5384.3 Ų84.328%0.28346%0.464SS..  trans-77.891.9176.3-165.4-36.4000110.2D355 A360 R361 T362D355-N358 HydrophobicContact CB-CB 3.96Å; D355-N358 WeakPolarHBondContact O-CB 3.48Å; D355-N358 PolarHBondContact O-N 3.47Å; N358-A360 PolarHBondContact O-N 2.84Å; N358-A360 VanDerWaalsContact O-N 3.14Å; N358-A360 WeakPolarHBondContact OD1-CB 3.45Å; N358-A360 PolarHBondContact OD1-N 3.3Å; N358-R361 PolarHBondContact O-N 2.61Å; N358-R361 VanDerWaalsContact O-N 3.08Å; N358-T362 PolarHBondContact O-N 3.22Å; N358-T362 PolarHBondContact O-OG1 3.26Å
359E59.2Low74.4Confident170 Ų17082.8 Ų82.879%0.79445%0.454SS*.THydrogen-bonded Turntrans-55.6-30.5-177.9-59.9-171157.500112.9N357 R361 T362N357-E359 PolarHBondContact O-N 3.48Å; E359-R361 VanDerWaalsContact C-N 3.29Å; E359-R361 PolarHBondContact O-N 2.78Å; E359-T362 PolarHBondContact O-N 3.04Å
360A61.6Low75.3Confident97 Ų9781.1 Ų81.180%0.80244%0.443SS*.THydrogen-bonded Turntrans-70.3-21.4-179.200000113.9N358N358-A360 PolarHBondContact O-N 2.84Å; N358-A360 VanDerWaalsContact O-N 3.14Å; N358-A360 WeakPolarHBondContact OD1-CB 3.45Å; N358-A360 PolarHBondContact OD1-N 3.3Å
361R74.5Confident76.8Confident110 Ų11073.3 Ų73.342%0.41541%0.407SS..THydrogen-bonded Turntrans-105.7-8.4176.4-65.9-177.7-178.7160.7-2113.7T349 N358 E359 Q363T349-R361 VanDerWaalsContact CG2-NH1 3.29Å; T349-R361 PolarHBondContact OG1-NH1 3.12Å; N358-R361 PolarHBondContact O-N 2.61Å; N358-R361 VanDerWaalsContact O-N 3.08Å; E359-R361 VanDerWaalsContact C-N 3.29Å; E359-R361 PolarHBondContact O-N 2.78Å; R361-Q363 PolarHBondContact O-N 3.41Å
362T87.3Confident78.6Confident29 Ų2967 Ų6718%0.17837%0.373CS..EExtended strand (participates in β ladder)trans-93.899-172.7-59.60000111.7V346 N358 E359 T364V346-T362 HydrophobicContact CG2-CG2 3.9Å; N358-T362 PolarHBondContact O-N 3.22Å; N358-T362 PolarHBondContact O-OG1 3.26Å; E359-T362 PolarHBondContact O-N 3.04Å; T362-T364 PolarHBondContact O-N 2.99Å
363Q92.6Very high80.6Confident41 Ų4164.4 Ų64.419%0.19235%0.346CS..EExtended strand (participates in β ladder)trans-81.5118.6176.6-57.1-168.46100110H344 I345 R361 F365H344-Q363 WeakPolarHBondContact CA-O 3.48Å; I345-Q363 HydrophobicContact CB-CB 4.46Å; I345-Q363 PolarHBondContact N-O 3.49Å; I345-Q363 PolarHBondContact O-N 3.21Å; R361-Q363 PolarHBondContact O-N 3.41Å; Q363-F365 HydrophobicContact CB-CE2 3.69Å; Q363-F365 HydrophobicContact CB-CZ 4Å
364T95.3Very high82.6Confident53 Ų5360.3 Ų60.333%0.32532%0.321SS..EExtended strand (participates in β ladder)trans-116.6129.8-174.4-53.30000112.2R342 L343 H344 T362R342-T364 HydrophobicContact CB-CG2 4.15Å; L343-T364 CarbonylContact O-C 3.58Å; L343-T364 WeakPolarHBondContact O-CA 3.43Å; H344-T364 WeakPolarHBondContact CE1-CG2 3.41Å; H344-T364 PolarHBondContact CE1-OG1 2.85Å; H344-T364 PolarHBondContact ND1-OG1 2.92Å; H344-T364 VanDerWaalsContact ND1-OG1 3.11Å; T362-T364 PolarHBondContact O-N 2.99Å
365F97.2Very high84.7Confident40 Ų4055.2 Ų55.218%0.17530%0.297CS..EExtended strand (participates in β ladder)trans-121131-176.2-56.4-90000110.3A209 V211 R342 L343 I345 Q363 F367A209-F365 HydrophobicContact CB-CE2 4.38Å; A209-F365 HydrophobicContact CB-CZ 3.93Å; A209-F365 VanDerWaalsContact O-CE1 3.28Å; A209-F365 WeakPolarHBondContact O-CE1 3.32Å; A209-F365 VanDerWaalsContact O-CZ 3.27Å; A209-F365 WeakPolarHBondContact O-CZ 3.2Å; V211-F365 HydrophobicContact CB-CB 4.33Å; V211-F365 HydrophobicContact CB-CD1 3.82Å; V211-F365 HydrophobicContact CB-CD2 4.38Å; V211-F365 HydrophobicContact CB-CE1 4.28Å; V211-F365 HydrophobicContact CB-CG 3.89Å; V211-F365 HydrophobicContact CG2-CB 4.41Å; V211-F365 HydrophobicContact CG2-CD1 3.67Å; V211-F365 HydrophobicContact CG2-CD2 3.59Å; V211-F365 HydrophobicContact CG2-CE1 3.77Å; V211-F365 HydrophobicContact CG2-CE2 3.7Å; V211-F365 HydrophobicContact CG2-CG 3.59Å; V211-F365 HydrophobicContact CG2-CZ 3.8Å; R342-F365 WeakPolarHBondContact CA-O 3.45Å; L343-F365 HydrophobicContact CB-CB 4.39Å; L343-F365 PolarHBondContact N-O 2.94Å; L343-F365 PolarHBondContact O-N 2.9Å; I345-F365 HydrophobicContact CD1-CD2 4.22Å; I345-F365 HydrophobicContact CD1-CE2 3.68Å; I345-F365 HydrophobicContact CD1-CZ 4.48Å; I345-F365 HydrophobicContact CG1-CD2 4.46Å; I345-F365 HydrophobicContact CG1-CE2 4.14Å; Q363-F365 HydrophobicContact CB-CE2 3.69Å; Q363-F365 HydrophobicContact CB-CZ 4Å; F365-F367 HydrophobicContact CB-CE2 4.26Å
366T97.5Very high86.7Confident70 Ų7054.6 Ų54.643%0.42930%0.297SS..EExtended strand (participates in β ladder)trans-131.3125.7-174.1-54.90000109.9Q340Q340-T366 HydrophobicContact CG-CG2 3.55Å
367F98.2Very high88.6Confident26 Ų2652.3 Ų52.311%0.11429%0.294CS..  trans-113.4111.4-179.2-64.6-86.2000109.2V211 L213 F244 Q340 F365 E369 N370V211-F367 HydrophobicContact CB-CZ 4.4Å; V211-F367 HydrophobicContact CG1-CE2 4.08Å; V211-F367 HydrophobicContact CG1-CZ 3.98Å; L213-F367 HydrophobicContact CB-CD1 3.83Å; L213-F367 HydrophobicContact CB-CE1 3.81Å; L213-F367 HydrophobicContact CB-CG 4.24Å; L213-F367 HydrophobicContact CB-CZ 4.2Å; F244-F367 HydrophobicContact CD1-CD2 4.48Å; F244-F367 AromaticContact CD1-CE2 3.88Å; F244-F367 HydrophobicContact CD1-CE2 3.88Å; F244-F367 HydrophobicContact CD1-CZ 4.42Å; F244-F367 AromaticContact CE1-CD2 3.73Å; F244-F367 HydrophobicContact CE1-CD2 3.73Å; F244-F367 AromaticContact CE1-CE2 3.54Å; F244-F367 HydrophobicContact CE1-CE2 3.54Å; F244-F367 HydrophobicContact CE1-CZ 4.43Å; Q340-F367 PolarHBondContact NE2-O 2.84Å; F365-F367 HydrophobicContact CB-CE2 4.26Å; F367-E369 PolarHBondContact O-N 2.86Å; F367-N370 HydrophobicContact CB-CB 4.35Å; F367-N370 WeakPolarHBondContact CB-OD1 3.39Å; F367-N370 WeakPolarHBondContact O-CB 3.17Å; F367-N370 PolarHBondContact O-N 2.69Å
368P97.9Very high90.7Very high75 Ų7548.8 Ų48.849%0.48727%0.27SS..G310 helixtrans-58.8-33.8-177.7-26.635.9000113.4H223 N370 Q371H223-P368 PolarHBondContact CE1-O 3.33Å; H223-P368 PolarHBondContact ND1-O 3.33Å; P368-N370 PolarHBondContact O-N 3.16Å; P368-Q371 WeakPolarHBondContact O-CB 3.44Å; P368-Q371 VanDerWaalsContact O-CG 3.27Å; P368-Q371 WeakPolarHBondContact O-CG 3.48Å; P368-Q371 PolarHBondContact O-N 3.1Å; P368-Q371 VanDerWaalsContact O-N 3.07Å
369E97.8Very high92.5Very high8 Ų850 Ų504%0.03727%0.274CS..G310 helixtrans-68-15.1177.970.6-84.1-164.500114.1L213 R216 W219 L220 H223 F367 Q371L213-E369 HydrophobicContact CD2-CG 3.77Å; L213-E369 WeakPolarHBondContact CD2-OE1 3.1Å; R216-E369 WeakPolarHBondContact CD-OE1 3.44Å; R216-E369 HydrophobicContact CG-CG 4.49Å; R216-E369 IonicContact CZ-OE1 3.64Å; R216-E369 IonicContact CZ-OE2 3.92Å; R216-E369 IonicContact NE-OE1 3.87Å; R216-E369 PolarHBondContact NE-OE1 3.25Å; R216-E369 VanDerWaalsContact NH1-CD 3.27Å; R216-E369 IonicContact NH1-OE1 3.75Å; R216-E369 PolarHBondContact NH1-OE1 3.04Å; R216-E369 IonicContact NH1-OE2 2.67Å; R216-E369 PolarHBondContact NH1-OE2 2.87Å; R216-E369 IonicContact NH2-OE2 3.61Å; W219-E369 HydrophobicContact CB-CG 4Å; L220-E369 HydrophobicContact CD2-CB 3.82Å; L220-E369 HydrophobicContact CD2-CG 4.32Å; L220-E369 HydrophobicContact CG-CB 4.44Å; H223-E369 HydrophobicContact CB-CB 4.23Å; F367-E369 PolarHBondContact O-N 2.86Å; E369-Q371 VanDerWaalsContact C-N 3.29Å
370N98.2Very high94.3Very high1 Ų142.6 Ų42.61%0.00524%0.239CC..G310 helixtrans-82.2-2.7172.3-64156.5000113.6L213 W219 L242 P341 F367 P368L213-N370 VanDerWaalsContact CD2-ND2 3.31Å; L213-N370 WeakPolarHBondContact CD2-ND2 3.45Å; W219-N370 VanDerWaalsContact CE2-ND2 3.29Å; W219-N370 HydrophobicContact CE3-CB 4.44Å; W219-N370 VanDerWaalsContact CE3-ND2 3.35Å; W219-N370 HydrophobicContact CZ3-CB 4.28Å; L242-N370 HydrophobicContact CD2-CB 3.9Å; L242-N370 VanDerWaalsContact CD2-CG 3.48Å; L242-N370 WeakPolarHBondContact CD2-OD1 3.47Å; P341-N370 VanDerWaalsContact CD-O 3.25Å; P341-N370 WeakPolarHBondContact CD-O 3.43Å; P341-N370 HydrophobicContact CG-CB 4.11Å; F367-N370 HydrophobicContact CB-CB 4.35Å; F367-N370 WeakPolarHBondContact CB-OD1 3.39Å; F367-N370 WeakPolarHBondContact O-CB 3.17Å; F367-N370 PolarHBondContact O-N 2.69Å; P368-N370 PolarHBondContact O-N 3.16Å
371Q98.4Very high96Very high39 Ų3942.7 Ų42.718%0.18223%0.23CC..  trans-60.7140.1174.4-70.9179.311.100111.6T227 Y339 Q340 P368 E369T227-Q371 WeakPolarHBondContact CB-O 3.32Å; T227-Q371 PolarHBondContact OG1-O 3.16Å; Y339-Q371 VanDerWaalsContact O-CA 3.28Å; Y339-Q371 WeakPolarHBondContact O-CA 3.2Å; Q340-Q371 HydrophobicContact CB-CG 4.24Å; P368-Q371 WeakPolarHBondContact O-CB 3.44Å; P368-Q371 VanDerWaalsContact O-CG 3.27Å; P368-Q371 WeakPolarHBondContact O-CG 3.48Å; P368-Q371 PolarHBondContact O-N 3.1Å; P368-Q371 VanDerWaalsContact O-N 3.07Å; E369-Q371 VanDerWaalsContact C-N 3.29Å
372F98.7Very high97.1Very high3 Ų341.1 Ų41.11%0.01323%0.23CC..EExtended strand (participates in β ladder)trans-145.4160.417969.1-95.8000112.6T227 M229 I261 L317 L333 K338 Y339 P341 A374T227-F372 HydrophobicContact CG2-CB 3.83Å; T227-F372 CarbonylContact O-C 3.44Å; T227-F372 WeakPolarHBondContact O-CA 3.46Å; T227-F372 VanDerWaalsContact O-CB 3.24Å; T227-F372 WeakPolarHBondContact O-CB 3.32Å; M229-F372 HydrophobicContact CB-CD2 3.56Å; M229-F372 HydrophobicContact CB-CE2 3.81Å; M229-F372 HydrophobicContact CB-CG 4.15Å; M229-F372 HydrophobicContact CG-CB 3.84Å; M229-F372 HydrophobicContact CG-CD1 4.01Å; M229-F372 HydrophobicContact CG-CD2 3.47Å; M229-F372 VanDerWaalsContact CG-CD2 3.47Å; M229-F372 HydrophobicContact CG-CE1 4.43Å; M229-F372 HydrophobicContact CG-CE2 3.96Å; M229-F372 HydrophobicContact CG-CG 3.51Å; M229-F372 HydrophobicContact CG-CZ 4.41Å; I261-F372 HydrophobicContact CD1-CE1 4.38Å; I261-F372 HydrophobicContact CD1-CZ 4.27Å; I261-F372 HydrophobicContact CG2-CE1 4.36Å; I261-F372 HydrophobicContact CG2-CZ 4.11Å; L317-F372 HydrophobicContact CD1-CE2 3.95Å; L317-F372 HydrophobicContact CD1-CZ 3.78Å; L333-F372 HydrophobicContact CD1-CE2 3.82Å; L333-F372 HydrophobicContact CD1-CZ 3.78Å; K338-F372 CarbonylContact C-O 3.59Å; K338-F372 WeakPolarHBondContact CA-O 3.34Å; Y339-F372 HydrophobicContact CD2-CE2 4.02Å; Y339-F372 HydrophobicContact CD2-CZ 4.49Å; Y339-F372 HydrophobicContact CG-CE2 4.43Å; Y339-F372 HydrophobicContact CG-CZ 4.47Å; Y339-F372 PolarHBondContact N-O 3.01Å; Y339-F372 PolarHBondContact O-N 3.19Å; Y339-F372 VanDerWaalsContact O-N 3.12Å; P341-F372 HydrophobicContact CG-CD1 4.19Å; P341-F372 HydrophobicContact CG-CE1 3.9Å; F372-A374 HydrophobicContact CE2-CB 4.14Å
373I98.3Very high97.6Very high4 Ų439.7 Ų39.72%0.02122%0.222CC..EExtended strand (participates in β ladder)trans-100.4128.1166.8-60.7174000108.3T227 E228 M229 W269 W276 H337 K338 V375T227-I373 PolarHBondContact O-N 3.01Å; E228-I373 WeakPolarHBondContact CA-O 3.24Å; M229-I373 PolarHBondContact N-O 2.9Å; W269-I373 HydrophobicContact CD2-CD1 4.48Å; W276-I373 HydrophobicContact CB-CD1 4.24Å; W276-I373 HydrophobicContact CD2-CD1 3.47Å; W276-I373 VanDerWaalsContact CD2-CD1 3.47Å; W276-I373 HydrophobicContact CE3-CD1 3.83Å; W276-I373 HydrophobicContact CG-CD1 3.67Å; W276-I373 HydrophobicContact CH2-CG2 3.73Å; W276-I373 HydrophobicContact CZ2-CB 4.41Å; W276-I373 HydrophobicContact CZ2-CD1 4.29Å; W276-I373 HydrophobicContact CZ2-CG2 4.04Å; W276-I373 HydrophobicContact CZ3-CD1 4.35Å; W276-I373 HydrophobicContact CZ3-CG2 4Å; H337-I373 WeakPolarHBondContact O-CA 3.4Å; K338-I373 HydrophobicContact CB-CG1 4.15Å; K338-I373 HydrophobicContact CG-CG1 4.05Å; I373-V375 HydrophobicContact CG2-CG1 4.08Å
374A97.8Very high97.8Very high0 Ų039.8 Ų39.80%023%0.225CC..EExtended strand (participates in β ladder)trans-78.8132.3176.200000109.7M229 I231 L333 Q334 S335 L336 H337 Y339 F372M229-A374 WeakPolarHBondContact O-CA 3.29Å; I231-A374 HydrophobicContact CD1-CB 4.27Å; I231-A374 HydrophobicContact CG2-CB 3.96Å; L333-A374 HydrophobicContact CB-CB 4.35Å; L333-A374 HydrophobicContact CD1-CB 4.15Å; Q334-A374 WeakPolarHBondContact O-CB 3.45Å; S335-A374 CarbonylContact C-O 3.57Å; S335-A374 WeakPolarHBondContact CA-O 3.21Å; L336-A374 PolarHBondContact N-O 3.35Å; H337-A374 PolarHBondContact O-N 3.25Å; Y339-A374 HydrophobicContact CD2-CB 3.93Å; Y339-A374 HydrophobicContact CE2-CB 3.58Å; F372-A374 HydrophobicContact CE2-CB 4.14Å
375V98.4Very high97.9Very high0 Ų041 Ų410%023%0.227CC..EExtended strand (participates in β ladder)trans-139.8151.8-176.3-61.90000111.6E228 M229 I230 I231 W276 S335 I373 A377 Y378 Q379E228-V375 HydrophobicContact CB-CG2 3.98Å; M229-V375 PolarHBondContact O-N 2.89Å; I230-V375 CarbonylContact C-O 3.55Å; I230-V375 VanDerWaalsContact CA-O 3.25Å; I230-V375 WeakPolarHBondContact CA-O 3.43Å; I230-V375 HydrophobicContact CD1-CG2 4.12Å; I231-V375 PolarHBondContact N-O 3.37Å; W276-V375 HydrophobicContact CH2-CG1 3.74Å; W276-V375 HydrophobicContact CZ2-CG1 3.95Å; S335-V375 WeakPolarHBondContact OG-CA 3.47Å; I373-V375 HydrophobicContact CG2-CG1 4.08Å; V375-A377 WeakPolarHBondContact CB-O 3.27Å; V375-A377 WeakPolarHBondContact CG2-O 3.36Å; V375-Y378 HydrophobicContact CG2-CD1 4.39Å; V375-Q379 HydrophobicContact CG1-CG 4.25Å
376T97.7Very high98Very high83 Ų8340.3 Ų40.351%0.50923%0.225SC..SBendtrans-80.8-30.417346.60000112.8I231 S335I231-T376 HydrophobicContact CG1-CG2 4.45Å; S335-T376 PolarHBondContact OG-N 2.93Å
377A98.1Very high98Very high51 Ų5137.3 Ų37.342%0.42121%0.206SC..SBendtrans-141.6152.1171.400000108.8V375 Q379V375-A377 WeakPolarHBondContact CB-O 3.27Å; V375-A377 WeakPolarHBondContact CG2-O 3.36Å; A377-Q379 PolarHBondContact O-NE2 3.48Å
378Y98.5Very high97.9Very high72 Ų7237.3 Ų37.328%0.28221%0.207SC..  trans-62.4142.5178.8-64.2-59.2000111.3E228 I230 V375 I383 T384 K387E228-Y378 HydrophobicContact CB-CD1 3.95Å; E228-Y378 HydrophobicContact CB-CE1 4.28Å; E228-Y378 VanDerWaalsContact OE2-CA 3.23Å; E228-Y378 WeakPolarHBondContact OE2-CA 3.23Å; I230-Y378 HydrophobicContact CD1-CD1 4.02Å; I230-Y378 HydrophobicContact CD1-CD2 4.14Å; I230-Y378 HydrophobicContact CD1-CE1 3.94Å; I230-Y378 HydrophobicContact CD1-CE2 4.07Å; I230-Y378 HydrophobicContact CD1-CG 4.1Å; I230-Y378 HydrophobicContact CG1-CD1 4.16Å; I230-Y378 HydrophobicContact CG1-CD2 4.39Å; I230-Y378 HydrophobicContact CG1-CE1 3.55Å; I230-Y378 HydrophobicContact CG1-CE2 3.82Å; I230-Y378 WeakPolarHBondContact CG1-OH 3.33Å; V375-Y378 HydrophobicContact CG2-CD1 4.39Å; Y378-I383 HydrophobicContact CD1-CG2 4.18Å; Y378-I383 HydrophobicContact CE1-CG2 4.37Å; Y378-T384 VanDerWaalsContact CB-OG1 3.24Å; Y378-T384 WeakPolarHBondContact CB-OG1 3.47Å; Y378-T384 HydrophobicContact CD2-CG2 4.39Å; Y378-K387 HydrophobicContact CE1-CD 4.34Å; Y378-K387 VanDerWaalsContact CE1-CE 3.46Å; Y378-K387 HydrophobicContact CE1-CG 4.09Å; Y378-K387 HydrophobicContact CE2-CG 3.99Å; Y378-K387 WeakPolarHBondContact OH-CE 3.26Å; Y378-K387 WeakPolarHBondContact OH-CG 3.4Å
379Q98.4Very high97.9Very high78 Ų7837.6 Ų37.636%0.36420%0.204SC..  trans-107.1-45.9179.5-53.1-62-7100110.5E228 F271 W276 V375 A377E228-Q379 PolarHBondContact OE2-N 3.48Å; F271-Q379 HydrophobicContact CB-CB 3.59Å; F271-Q379 HydrophobicContact CB-CG 4.13Å; F271-Q379 HydrophobicContact CD1-CB 3.81Å; F271-Q379 WeakPolarHBondContact CD1-O 3.35Å; F271-Q379 HydrophobicContact CD2-CB 4.39Å; F271-Q379 VanDerWaalsContact CE1-O 3.26Å; F271-Q379 WeakPolarHBondContact CE1-O 3.38Å; F271-Q379 HydrophobicContact CG-CB 3.69Å; W276-Q379 HydrophobicContact CH2-CB 4.23Å; W276-Q379 HydrophobicContact CH2-CG 3.67Å; W276-Q379 HydrophobicContact CZ2-CB 3.81Å; W276-Q379 HydrophobicContact CZ2-CG 3.7Å; V375-Q379 HydrophobicContact CG1-CG 4.25Å; A377-Q379 PolarHBondContact O-NE2 3.48Å
380N97.7Very high97.8Very high14 Ų1440 Ų408%0.07522%0.215CC..  trans-82123.2174.9-170.8-7.2000111.7H225 E228 F271 D382 I383 T384H225-N380 PolarHBondContact O-ND2 2.77Å; E228-N380 WeakPolarHBondContact OE1-CB 3.4Å; E228-N380 PolarHBondContact OE1-N 3.4Å; F271-N380 HydrophobicContact CE2-CB 4.02Å; F271-N380 HydrophobicContact CZ-CB 3.84Å; N380-D382 VanDerWaalsContact C-N 3.33Å; N380-D382 PolarHBondContact O-N 3.22Å; N380-D382 WeakPolarHBondContact OD1-CB 3.28Å; N380-D382 PolarHBondContact OD1-N 3.11Å; N380-I383 HydrophobicContact CB-CB 4.11Å; N380-I383 HydrophobicContact CB-CG1 3.85Å; N380-I383 PolarHBondContact O-N 3.35Å; N380-T384 PolarHBondContact O-N 3.13Å; N380-T384 VanDerWaalsContact O-N 3.12Å; N380-T384 PolarHBondContact O-OG1 3.16Å
381T97.1Very high97.7Very high100 Ų10040.8 Ų40.861%0.61322%0.22SC*.Hα-helixtrans-63.4-35.9174.643.70000112.5I383 T384 Q385T381-I383 VanDerWaalsContact C-N 3.34Å; T381-I383 PolarHBondContact O-N 3.47Å; T381-T384 WeakPolarHBondContact O-CA 3.49Å; T381-T384 WeakPolarHBondContact O-CB 3.42Å; T381-T384 PolarHBondContact O-N 3Å; T381-T384 VanDerWaalsContact O-N 3.12Å; T381-Q385 PolarHBondContact O-N 3.34Å
382D97.6Very high97.6Very high76 Ų7643.5 Ų43.541%0.40624%0.24SC..Hα-helixtrans-63.8-43.5178.6-56.5-8.6000110.8H225 N380 T384 Q385 L386H225-D382 HydrophobicContact CB-CB 4.31Å; H225-D382 IonicContact CE1-OD2 3.48Å; H225-D382 PolarHBondContact CE1-OD2 2.62Å; H225-D382 IonicContact CG-OD2 3.3Å; H225-D382 VanDerWaalsContact ND1-CB 3.34Å; H225-D382 WeakPolarHBondContact ND1-CB 3.08Å; H225-D382 IonicContact ND1-OD2 3.99Å; H225-D382 PolarHBondContact ND1-OD2 3.14Å; N380-D382 VanDerWaalsContact C-N 3.33Å; N380-D382 PolarHBondContact O-N 3.22Å; N380-D382 WeakPolarHBondContact OD1-CB 3.28Å; N380-D382 PolarHBondContact OD1-N 3.11Å; D382-T384 VanDerWaalsContact C-N 3.28Å; D382-T384 PolarHBondContact O-N 3.27Å; D382-Q385 PolarHBondContact O-N 3.44Å; D382-L386 WeakPolarHBondContact O-CB 3.23Å; D382-L386 VanDerWaalsContact O-CG 3.32Å; D382-L386 WeakPolarHBondContact O-CG 3.22Å; D382-L386 PolarHBondContact O-N 3.26Å
383I98.3Very high97.3Very high0 Ų051.8 Ų51.80%028%0.277CS..Hα-helixtrans-60.6-43.6174.4-66.7-69.9000109.4F222 H225 E228 Y378 N380 T381 Q385 L386 K387F222-I383 HydrophobicContact CD1-CD1 3.88Å; F222-I383 HydrophobicContact CD1-CG2 4.44Å; F222-I383 HydrophobicContact CE1-CG2 4.44Å; H225-I383 HydrophobicContact CB-CD1 3.64Å; H225-I383 HydrophobicContact CB-CG1 4.03Å; H225-I383 WeakPolarHBondContact O-CG1 3.4Å; E228-I383 HydrophobicContact CB-CG2 3.96Å; E228-I383 HydrophobicContact CG-CG1 4.36Å; E228-I383 HydrophobicContact CG-CG2 4.24Å; Y378-I383 HydrophobicContact CD1-CG2 4.18Å; Y378-I383 HydrophobicContact CE1-CG2 4.37Å; N380-I383 HydrophobicContact CB-CB 4.11Å; N380-I383 HydrophobicContact CB-CG1 3.85Å; N380-I383 PolarHBondContact O-N 3.35Å; T381-I383 VanDerWaalsContact C-N 3.34Å; T381-I383 PolarHBondContact O-N 3.47Å; I383-Q385 PolarHBondContact O-N 3.01Å; I383-L386 PolarHBondContact O-N 3.28Å; I383-K387 HydrophobicContact CG2-CG 4.47Å; I383-K387 VanDerWaalsContact O-CG 3.32Å; I383-K387 WeakPolarHBondContact O-CG 3.5Å; I383-K387 PolarHBondContact O-N 3.08Å
384T97.6Very high97.1Very high43 Ų4352.2 Ų52.226%0.26428%0.281SS..Hα-helixtrans-58.7-47.5178.6-55.50000111.7Y378 N380 T381 D382 K387 I388Y378-T384 VanDerWaalsContact CB-OG1 3.24Å; Y378-T384 WeakPolarHBondContact CB-OG1 3.47Å; Y378-T384 HydrophobicContact CD2-CG2 4.39Å; N380-T384 PolarHBondContact O-N 3.13Å; N380-T384 VanDerWaalsContact O-N 3.12Å; N380-T384 PolarHBondContact O-OG1 3.16Å; T381-T384 WeakPolarHBondContact O-CA 3.49Å; T381-T384 WeakPolarHBondContact O-CB 3.42Å; T381-T384 PolarHBondContact O-N 3Å; T381-T384 VanDerWaalsContact O-N 3.12Å; D382-T384 VanDerWaalsContact C-N 3.28Å; D382-T384 PolarHBondContact O-N 3.27Å; T384-K387 WeakPolarHBondContact O-CB 3.18Å; T384-K387 PolarHBondContact O-N 3.48Å; T384-I388 HydrophobicContact CG2-CD1 4.22Å; T384-I388 WeakPolarHBondContact O-CG1 3.47Å; T384-I388 PolarHBondContact O-N 3.07Å
385Q97.3Very high96.8Very high78 Ų7858.2 Ų58.236%0.36431%0.307SS..Hα-helixtrans-64-45.4175.6-63.2-61.70.200111.7T381 D382 I383 K387 I388 D389T381-Q385 PolarHBondContact O-N 3.34Å; D382-Q385 PolarHBondContact O-N 3.44Å; I383-Q385 PolarHBondContact O-N 3.01Å; Q385-K387 PolarHBondContact O-N 2.86Å; Q385-I388 WeakPolarHBondContact O-CA 3.49Å; Q385-I388 WeakPolarHBondContact O-CB 3.13Å; Q385-I388 PolarHBondContact O-N 2.88Å; Q385-D389 VanDerWaalsContact O-CG 3.28Å; Q385-D389 PolarHBondContact O-N 2.83Å
386L97.9Very high96.5Very high26 Ų2661.1 Ų61.114%0.13634%0.337CS..Hα-helixtrans-57.1-34.6174.3-72.9172.4000112.6K221 F222 D382 I383 H390K221-L386 HydrophobicContact CD-CD2 4.5Å; F222-L386 HydrophobicContact CD1-CB 4.06Å; F222-L386 HydrophobicContact CD1-CD1 4.27Å; F222-L386 HydrophobicContact CE1-CB 3.4Å; F222-L386 HydrophobicContact CE1-CD1 4.43Å; F222-L386 HydrophobicContact CZ-CB 3.67Å; F222-L386 WeakPolarHBondContact CZ-O 3.45Å; D382-L386 WeakPolarHBondContact O-CB 3.23Å; D382-L386 VanDerWaalsContact O-CG 3.32Å; D382-L386 WeakPolarHBondContact O-CG 3.22Å; D382-L386 PolarHBondContact O-N 3.26Å; I383-L386 PolarHBondContact O-N 3.28Å; L386-H390 WeakPolarHBondContact O-CB 3.35Å; L386-H390 PolarHBondContact O-N 3.12Å; L386-H390 PolarHBondContact O-ND1 3.41Å
387K97.9Very high96.1Very high7 Ų764.1 Ų64.13%0.0334%0.343CS..Hα-helixtrans-65.6-47.9170.4-57.7-56.9178.6-163.20111F222 E228 F239 Y378 I383 T384 Q385 N391F222-K387 HydrophobicContact CE1-CD 3.58Å; F222-K387 HydrophobicContact CE1-CG 4.28Å; F222-K387 HydrophobicContact CZ-CD 3.83Å; E228-K387 VanDerWaalsContact O-CE 3.32Å; E228-K387 WeakPolarHBondContact O-CE 3.48Å; E228-K387 PolarHBondContact O-NZ 3.44Å; F239-K387 HydrophobicContact CD1-CD 3.87Å; F239-K387 PolarHBondContact O-NZ 2.87Å; Y378-K387 HydrophobicContact CE1-CD 4.34Å; Y378-K387 VanDerWaalsContact CE1-CE 3.46Å; Y378-K387 HydrophobicContact CE1-CG 4.09Å; Y378-K387 HydrophobicContact CE2-CG 3.99Å; Y378-K387 WeakPolarHBondContact OH-CE 3.26Å; Y378-K387 WeakPolarHBondContact OH-CG 3.4Å; I383-K387 HydrophobicContact CG2-CG 4.47Å; I383-K387 VanDerWaalsContact O-CG 3.32Å; I383-K387 WeakPolarHBondContact O-CG 3.5Å; I383-K387 PolarHBondContact O-N 3.08Å; T384-K387 WeakPolarHBondContact O-CB 3.18Å; T384-K387 PolarHBondContact O-N 3.48Å; Q385-K387 PolarHBondContact O-N 2.86Å; K387-N391 WeakPolarHBondContact O-CA 3.24Å; K387-N391 WeakPolarHBondContact O-CB 3.45Å; K387-N391 PolarHBondContact O-N 3.01Å
388I96.9Very high95.7Very high25 Ų2565.6 Ų65.613%0.12834%0.338CS..Hα-helixtrans-58-50-178.9-69.8165.8000110.4T384 Q385 H390 F397 R398T384-I388 HydrophobicContact CG2-CD1 4.22Å; T384-I388 WeakPolarHBondContact O-CG1 3.47Å; T384-I388 PolarHBondContact O-N 3.07Å; Q385-I388 WeakPolarHBondContact O-CA 3.49Å; Q385-I388 WeakPolarHBondContact O-CB 3.13Å; Q385-I388 PolarHBondContact O-N 2.88Å; I388-H390 PolarHBondContact O-N 2.79Å; I388-F397 HydrophobicContact CD1-CB 4.1Å; I388-F397 HydrophobicContact CG1-CB 4.01Å; I388-F397 HydrophobicContact CG2-CB 3.96Å; I388-R398 HydrophobicContact CG2-CB 4.42Å; I388-R398 HydrophobicContact CG2-CG 3.55Å; I388-R398 PolarHBondContact O-NE 3.24Å; I388-R398 PolarHBondContact O-NH2 3.44Å
389D96.6Very high94.7Very high81 Ų8166.5 Ų66.543%0.43335%0.348SS..Hα-helixtrans-63.9-38.8-177.7-66.2-21.5000114.2Q385 R398Q385-D389 VanDerWaalsContact O-CG 3.28Å; Q385-D389 PolarHBondContact O-N 2.83Å; D389-R398 PolarHBondContact O-NH1 2.88Å; D389-R398 VanDerWaalsContact O-NH1 3.15Å; D389-R398 PolarHBondContact O-NH2 2.81Å
390H96.8Very high93Very high58 Ų5867.4 Ų67.427%0.26936%0.355SS..Hα-helixtrans-107-21.2-169.5-58.583.5000113.6L218 K221 F239 L386 I388 P392L218-H390 HydrophobicContact CD1-CB 3.97Å; L218-H390 WeakPolarHBondContact CD1-CD2 3.48Å; L218-H390 HydrophobicContact CD2-CB 4.41Å; K221-H390 PolarHBondContact NZ-NE2 2.73Å; F239-H390 HydrophobicContact CE1-CB 3.96Å; F239-H390 HydrophobicContact CZ-CB 3.9Å; F239-H390 VanDerWaalsContact CZ-O 3.26Å; F239-H390 WeakPolarHBondContact CZ-O 3.41Å; L386-H390 WeakPolarHBondContact O-CB 3.35Å; L386-H390 PolarHBondContact O-N 3.12Å; L386-H390 PolarHBondContact O-ND1 3.41Å; I388-H390 PolarHBondContact O-N 2.79Å; H390-P392 WeakPolarHBondContact O-CD 3.33Å
391N96.7Very high91.2Very high19 Ų1973.1 Ų73.110%0.10238%0.377CS..  trans-85.9119.4179.6-171.9-10.2000111.1F239 K387 F393 A394 R398F239-N391 HydrophobicContact CD1-CB 3.89Å; F239-N391 HydrophobicContact CD2-CB 3.97Å; F239-N391 HydrophobicContact CE1-CB 3.82Å; F239-N391 HydrophobicContact CE2-CB 3.91Å; F239-N391 HydrophobicContact CG-CB 3.98Å; F239-N391 HydrophobicContact CZ-CB 3.85Å; K387-N391 WeakPolarHBondContact O-CA 3.24Å; K387-N391 WeakPolarHBondContact O-CB 3.45Å; K387-N391 PolarHBondContact O-N 3.01Å; N391-F393 PolarHBondContact O-N 2.85Å; N391-F393 WeakPolarHBondContact OD1-CD2 3.4Å; N391-F393 PolarHBondContact OD1-N 2.94Å; N391-A394 HydrophobicContact CB-CB 4.04Å; N391-A394 PolarHBondContact O-N 2.87Å; N391-R398 PolarHBondContact O-NH2 2.88Å
392P94.9Very high89.3Confident95 Ų9573.5 Ų73.562%0.61738%0.375SS*.G310 helixtrans-57.5-34.4177.3-25.435.5000113.2H390 A394 K395H390-P392 WeakPolarHBondContact O-CD 3.33Å; P392-A394 PolarHBondContact O-N 2.88Å; P392-K395 PolarHBondContact O-N 2.9Å
393F94.2Very high87.6Confident178 Ų17873.4 Ų73.478%0.78138%0.38SS*.G310 helixtrans-75.60.1179.2-57.9-74.7000114N391N391-F393 PolarHBondContact O-N 2.85Å; N391-F393 WeakPolarHBondContact OD1-CD2 3.4Å; N391-F393 PolarHBondContact OD1-N 2.94Å
394A93.8Very high85.6Confident13 Ų1378.5 Ų78.511%0.10741%0.405CS..G310 helixtrans-112.67.7176.400000113.3N391 P392 G396 F397N391-A394 HydrophobicContact CB-CB 4.04Å; N391-A394 PolarHBondContact O-N 2.87Å; P392-A394 PolarHBondContact O-N 2.88Å; A394-G396 VanDerWaalsContact C-N 3.3Å; A394-G396 PolarHBondContact O-N 2.82Å; A394-G396 VanDerWaalsContact O-N 3.17Å; A394-F397 HydrophobicContact CB-CD2 4.49Å; A394-F397 PolarHBondContact O-N 3.22Å
395K90.4Very high83.6Confident126 Ų12684.8 Ų84.855%0.54843%0.425SS..G310 helixtrans-50.8-44.6-173.2-169.9-170.2172.3-168.60113.6P392 F397 R398P392-K395 PolarHBondContact O-N 2.9Å; K395-F397 PolarHBondContact O-N 2.72Å; K395-R398 WeakPolarHBondContact O-CB 3.46Å; K395-R398 WeakPolarHBondContact O-CG 3.46Å; K395-R398 PolarHBondContact O-N 3.03Å
396G91.4Very high81.6Confident61 Ų6185.6 Ų85.663%0.62944%0.436SS*.G310 helixtrans-63.4-7.9-177.400000116A394A394-G396 VanDerWaalsContact C-N 3.3Å; A394-G396 PolarHBondContact O-N 2.82Å; A394-G396 VanDerWaalsContact O-N 3.17Å
397F90.1Very high79.3Confident145 Ų14587.7 Ų87.764%0.63646%0.457SS*.G310 helixtrans-91.3-7.4173.4-65.4-76.9000113.8I388 A394 K395I388-F397 HydrophobicContact CD1-CB 4.1Å; I388-F397 HydrophobicContact CG1-CB 4.01Å; I388-F397 HydrophobicContact CG2-CB 3.96Å; A394-F397 HydrophobicContact CB-CD2 4.49Å; A394-F397 PolarHBondContact O-N 3.22Å; K395-F397 PolarHBondContact O-N 2.72Å
398R90.6Very high77.3Confident82 Ų8291.8 Ų91.831%0.30948%0.484SS..THydrogen-bonded Turntrans-75.7-61.8178.5-60.9168.4-165-160.32.2110.3I388 D389 N391 K395 N400 Y401I388-R398 HydrophobicContact CG2-CB 4.42Å; I388-R398 HydrophobicContact CG2-CG 3.55Å; I388-R398 PolarHBondContact O-NE 3.24Å; I388-R398 PolarHBondContact O-NH2 3.44Å; D389-R398 PolarHBondContact O-NH1 2.88Å; D389-R398 VanDerWaalsContact O-NH1 3.15Å; D389-R398 PolarHBondContact O-NH2 2.81Å; N391-R398 PolarHBondContact O-NH2 2.88Å; K395-R398 WeakPolarHBondContact O-CB 3.46Å; K395-R398 WeakPolarHBondContact O-CG 3.46Å; K395-R398 PolarHBondContact O-N 3.03Å; R398-N400 PolarHBondContact O-N 3.43Å; R398-Y401 PolarHBondContact O-N 3.28Å
399D76.4Confident75.2Confident92 Ų9297 Ų9749%0.49251%0.508SS..Hα-helixtrans-61.9-22.6-170.1-41.1-29.6000112.3S403D399-S403 WeakPolarHBondContact O-CB 3.47Å; D399-S403 PolarHBondContact O-N 3.3Å; D399-S403 PolarHBondContact O-OG 3.07Å
400N63Low73.4Confident97 Ų9797.6 Ų97.652%0.51952%0.518SS..Hα-helixtrans-76.1-19.4179.4-163.796.5000113.6R398 M404R398-N400 PolarHBondContact O-N 3.43Å; N400-M404 VanDerWaalsContact ND2-CE 3.28Å; N400-M404 WeakPolarHBondContact ND2-CE 3.46Å; N400-M404 WeakPolarHBondContact O-CE 3.21Å
401Y59.2Low71.5Confident134 Ų134101.7 Ų101.753%0.52554%0.542SS..Hα-helixtrans-77.7-44.1-179.8-158.6-88.7000111.6R398 M404 Y405R398-Y401 PolarHBondContact O-N 3.28Å; Y401-M404 VanDerWaalsContact O-CG 3.29Å; Y401-M404 WeakPolarHBondContact O-CG 3.48Å; Y401-Y405 HydrophobicContact CE1-CD2 4.44Å; Y401-Y405 HydrophobicContact CE1-CE2 4.46Å
402D58.1Low69.4Low108 Ų108108.7 Ų108.758%0.57857%0.567SS**Hα-helixtrans-63.5-45.7171.6-72.3-33.6000111M404 Y405 T406D402-M404 PolarHBondContact O-N 2.92Å; D402-M404 VanDerWaalsContact O-N 3.09Å; D402-Y405 PolarHBondContact O-N 2.82Å; D402-T406 PolarHBondContact O-N 3.08Å; D402-T406 PolarHBondContact O-OG1 3.35Å
403S61.4Low67.4Low74 Ų74112.1 Ų112.152%0.51758%0.58SS.*Hα-helixtrans-58-27.1-175.1-59.20000114.6D399 A407D399-S403 WeakPolarHBondContact O-CB 3.47Å; D399-S403 PolarHBondContact O-N 3.3Å; D399-S403 PolarHBondContact O-OG 3.07Å; S403-A407 PolarHBondContact O-N 3.46Å
404M56.9Low65.5Low106 Ų106108.7 Ų108.752%0.52257%0.573SS.*Hα-helixtrans-87.6-13.9179.165.9171.368.900114.5N400 Y401 D402N400-M404 VanDerWaalsContact ND2-CE 3.28Å; N400-M404 WeakPolarHBondContact ND2-CE 3.46Å; N400-M404 WeakPolarHBondContact O-CE 3.21Å; Y401-M404 VanDerWaalsContact O-CG 3.29Å; Y401-M404 WeakPolarHBondContact O-CG 3.48Å; D402-M404 PolarHBondContact O-N 2.92Å; D402-M404 VanDerWaalsContact O-N 3.09Å
405Y54.8Low63.3Low175 Ų175113.9 Ų113.969%0.68661%0.606SS**Hα-helixtrans-116.3-16.3178.5-74.2-73.3000113.8Y401 D402Y401-Y405 HydrophobicContact CE1-CD2 4.44Å; Y401-Y405 HydrophobicContact CE1-CE2 4.46Å; D402-Y405 PolarHBondContact O-N 2.82Å
406T55.7Low61.3Low96 Ų96112.1 Ų112.159%0.58961%0.61SS**  trans-114.815.4175.9620000113.2D402 P408D402-T406 PolarHBondContact O-N 3.08Å; D402-T406 PolarHBondContact O-OG1 3.35Å; T406-P408 WeakPolarHBondContact O-CD 3.28Å; T406-P408 VanDerWaalsContact O-N 3.09Å
407A49.3Very low59.4Low70 Ų70115.3 Ų115.358%0.57962%0.619SS**  trans-51.7115.9162.900000108.8S403 E409S403-A407 PolarHBondContact O-N 3.46Å; A407-E409 PolarHBondContact O-N 3.37Å
408P55.9Low57.6Low92 Ų92114.4 Ų114.460%0.59763%0.626SS**  trans-67.8135.1-170.927.2-34.5000110T406 S410T406-P408 WeakPolarHBondContact O-CD 3.28Å; T406-P408 VanDerWaalsContact O-N 3.09Å; P408-S410 PolarHBondContact O-N 3.42Å
409E52.4Low55.5Low134 Ų134118.3 Ų118.363%0.62665%0.653SS**G310 helixtrans-65.7-2.9-174.9-168.2136.9-131.500113.6A407 D411 R412A407-E409 PolarHBondContact O-N 3.37Å; E409-D411 VanDerWaalsContact C-N 3.31Å; E409-D411 PolarHBondContact O-N 2.9Å; E409-R412 PolarHBondContact O-N 2.84Å; E409-R412 WeakPolarHBondContact OE1-CD 3.46Å; E409-R412 IonicContact OE1-CZ 2.69Å; E409-R412 IonicContact OE1-NE 3.52Å; E409-R412 IonicContact OE1-NH1 3.37Å; E409-R412 PolarHBondContact OE1-NH1 2.87Å
410S59.2Low53.9Low94 Ų94117.6 Ų117.666%0.65766%0.655SS**G310 helixtrans-61.8-25.717750.40000115.5P408P408-S410 PolarHBondContact O-N 3.42Å
411D56Low53.2Low145 Ų145119.5 Ų119.578%0.77567%0.672SS**G310 helixtrans-93.23.3178.4-84.5-23.9000113.7E409 L413E409-D411 VanDerWaalsContact C-N 3.31Å; E409-D411 PolarHBondContact O-N 2.9Å; D411-L413 VanDerWaalsContact C-N 3.29Å; D411-L413 PolarHBondContact O-N 2.88Å
412R54.3Low52.6Low166 Ų166124.2 Ų124.263%0.62669%0.689SS**  trans-75.779.4170.6-81.2-174164.9171-5.2111.1E409 T414E409-R412 PolarHBondContact O-N 2.84Å; E409-R412 WeakPolarHBondContact OE1-CD 3.46Å; E409-R412 IonicContact OE1-CZ 2.69Å; E409-R412 IonicContact OE1-NE 3.52Å; E409-R412 IonicContact OE1-NH1 3.37Å; E409-R412 PolarHBondContact OE1-NH1 2.87Å; R412-T414 PolarHBondContact O-N 3.31Å
413L53Low52.1Low167 Ų167124.6 Ų124.687%0.87470%0.7SS**  trans-67.46.6170.1-66.5177.9000114.4D411D411-L413 VanDerWaalsContact C-N 3.29Å; D411-L413 PolarHBondContact O-N 2.88Å
414T53.8Low51.3Low105 Ų105127 Ų12764%0.64471%0.713SS**SBendtrans-104.2110.1170.453.50000109.5R412 S416R412-T414 PolarHBondContact O-N 3.31Å; T414-S416 PolarHBondContact O-N 2.79Å
415P48.2Very low50.7Low122 Ų122130.9 Ų130.979%0.79273%0.729SS**PPolyproline II helixtrans-64.6129.3175.626.7-33.3000110.1
416S47.9Very low50.2Low90 Ų90130.3 Ų130.363%0.62974%0.736SS**PPolyproline II helixtrans-55.6139.7171.8-60.50000110.3T414 T418T414-S416 PolarHBondContact O-N 2.79Å; S416-T418 PolarHBondContact O-N 3.14Å
417P51.3Low49.7Very low128 Ų128131.8 Ų131.883%0.83175%0.745SS**PPolyproline II helixtrans-55.8128179.2-24.834.2000111.1D419P417-D419 PolarHBondContact O-N 2.89Å
418T52.2Low49.3Very low126 Ų126134.3 Ų134.377%0.77376%0.756SS**PPolyproline II helixtrans-63119.8-179.417.30000110.7S416 S420S416-T418 PolarHBondContact O-N 3.14Å; T418-S420 WeakPolarHBondContact O-CB 3.43Å; T418-S420 PolarHBondContact O-N 2.77Å; T418-S420 VanDerWaalsContact O-N 3.08Å; T418-S420 PolarHBondContact O-OG 2.81Å
419D47.5Very low48.3Very low164 Ų164134 Ų13488%0.87777%0.769SS**  trans-57.7114.4179.5-162.3-4.8000110.1P417P417-D419 PolarHBondContact O-N 2.89Å
420S42.8Very low47.4Very low76 Ų76132.7 Ų132.753%0.53178%0.781SS.*  trans-121.5103.5-161-73.70000109.9T418 R422T418-S420 WeakPolarHBondContact O-CB 3.43Å; T418-S420 PolarHBondContact O-N 2.77Å; T418-S420 VanDerWaalsContact O-N 3.08Å; T418-S420 PolarHBondContact O-OG 2.81Å; S420-R422 PolarHBondContact O-N 3.03Å
421P47.1Very low46.4Very low137 Ų137139.6 Ų139.689%0.8979%0.793SS**THydrogen-bonded Turntrans-79.854.4-164.833.1-38.4000113.4
422R47.4Very low45.6Very low233 Ų233144.4 Ų144.488%0.87980%0.802SS**THydrogen-bonded Turntrans-149.44.8-176.6-142.1177.4179.6123.22.7116.8S420 T424S420-R422 PolarHBondContact O-N 3.03Å; R422-T424 VanDerWaalsContact C-N 3.29Å; R422-T424 PolarHBondContact O-N 3.49Å
423S46.3Very low44.8Very low116 Ų116141 Ų14181%0.81181%0.809SS**  trans-83.958.7-178.762.40000113.6
424T45.3Very low43.9Very low126 Ų126141.9 Ų141.977%0.77381%0.811SS**  trans-13969.7178.343.20000113.6R422R422-T424 VanDerWaalsContact C-N 3.29Å; R422-T424 PolarHBondContact O-N 3.49Å
425Q45.2Very low43Very low186 Ų186143.3 Ų143.387%0.86981%0.81SS**  trans-170.9171152-110.9167.427.700111.4
426I43.9Very low42.5Very low164 Ų164143.8 Ų143.884%0.84181%0.813SS**  trans73.8119.3-173.5-50.3158000110.4
427V44.5Very low41.8Very low127 Ų127146.1 Ų146.177%0.7781%0.812SS**  cis-126.8151.324.4-173.60000111.9
428P41.5Very low41.2Very low123 Ų123148.9 Ų148.980%0.79981%0.811SS**  trans-67.5152.4170.3-19.933.7000114.6
429G35.3Very low40.2Very low85 Ų85151 Ų15188%0.87681%0.813SS**  trans-91.8164.7-172.300000116.9
430A33.6Very low39.5Very low107 Ų107150.9 Ų150.988%0.88481%0.812SS**  trans-123.5163.8166.800000110.4
431R38.7Very low38.9Very low238 Ų238155.6 Ų155.690%0.89883%0.825SS**  trans-105.5138.6-163.5-59.5176.3-74.3-149-2.4112.4
432Y39.3Very low38.4Very low247 Ų247158.6 Ų158.697%0.96983%0.825SS**  trans-163.9160.1132.6-101.4-67.5000109.7
433A37.2Very low37.8Very low93 Ų93153.1 Ų153.177%0.76982%0.817SS**  trans-134.6147-172.300000112.3
434M32.7Very low37.1Very low186 Ų186154.4 Ų154.492%0.91682%0.815SS**  trans-152.9151.7156.7-107.2-59.7-175.900109.4
435Q34.9Very low36.3Very low136 Ų136156.5 Ų156.564%0.63682%0.821SS**  trans-85.7170.3-174.8-61-175.1-83.300112.9F437Q435-F437 VanDerWaalsContact NE2-CD2 3.25Å; Q435-F437 VanDerWaalsContact NE2-CE2 3.25Å
436P39.1Very low36Very low131 Ų131155.3 Ų155.385%0.85182%0.82SS**  -117.8138.5104.9-8.827.8000115
437F31.7Very low35.8Very low139 Ų139151.8 Ų151.861%0.6181%0.808SS**  trans-72.5160.6149.1-93.8-90.3000108.6Q435Q435-F437 VanDerWaalsContact NE2-CD2 3.25Å; Q435-F437 VanDerWaalsContact NE2-CE2 3.25Å
438F38.6Very low35.2Very low187 Ų187155.1 Ų155.182%0.8282%0.815SS**  cis-126163.58.9-104.8-87.7000111.3
439Q31.7Very low34.7Very low171 Ų171154.5 Ų154.580%0.79981%0.805SS**  trans-135.9127.6164.8179.8177.210.900108.6
440D31.9Very low34.7Very low161 Ų161159.6 Ų159.686%0.86180%0.798SS**  trans-70.2132.1170.2-78.5-61.1000110.6
441Q31.7Very low34.7Very low174 Ų174162.3 Ų162.381%0.81379%0.79SS**  trans-93.3144.7172.1-60.8-176.2-89.800110.2
442F35.4Very low34.5Very low200 Ų200160 Ų16088%0.87778%0.783SS**  -155.2121128.5-104.7-66.5000112.6
443V35.1Very low34Very low118 Ų118154.5 Ų154.572%0.71578%0.775SS**  trans41.1106.2158.8-700000122.6
444N31Very low33.7Very low144 Ų144153.5 Ų153.577%0.7777%0.773SS**  26.8121.9120.7-60.1-13.2000120.4
445N29.6Very low33.7Very low169 Ų169152 Ų15290%0.90476%0.764SS**  -163.2169.295.6-102.7-43.9000113.3
446L38.2Very low33.6Very low161 Ų161155.5 Ų155.584%0.84377%0.772SS**  trans-119.2179.2-162.4-143.177.3000111.7
447P40.8Very low33.3Very low91 Ų91153.7 Ų153.759%0.59177%0.767SS**  -119.6179.7-86.940.2-27.7000114.4
448Q31.6Very low33.5Very low196 Ų196153.1 Ų153.192%0.91678%0.775SS**  trans-89.8127.8157.7-73.5-178.6-2300112.1
449N29.8Very low33.6Very low111 Ų111150 Ų15059%0.59477%0.774SS**  trans-114.1158.1158.6-76.3-75.5000106.1
450R36Very low33.6Very low191 Ų191150.4 Ų150.472%0.72178%0.776SS**  cis-173.3150-5.7-108.5173.5-150.21776.1107.2
451F33.3Very low33.7Very low164 Ų164148.7 Ų148.772%0.71977%0.771SS**  trans50156.9146.5-60.1-48.7000120.7
452Y35.1Very low34Very low190 Ų190147.4 Ų147.475%0.74577%0.77SS**  cis-160.6156.4-10.2-122.2-48.4000109
453T29.5Very low33.7Very low132 Ų132142.8 Ų142.881%0.8176%0.762SS**  trans49.4134.1144.2-51.40000122.7
454G30.2Very low33.7Very low71 Ų71144.4 Ų144.473%0.73277%0.766SS**  trans159.794.7147.400000120
455E31.8Very low33.9Very low156 Ų156145.4 Ų145.473%0.72977%0.771SS**  trans30.2149.8151.7-83.6-155.512100127
456R33.5Very low33.8Very low209 Ų209142.5 Ų142.579%0.78976%0.764SS**  trans52.5101.9145-67.4-175.2-160.1-127-5.6123.2
457A32.6Very low34.7Very low92 Ų92140.4 Ų140.476%0.7676%0.76SS**  60.4130.7102.600000123.1
458V36.1Very low34.3Very low128 Ų128145.3 Ų145.378%0.77678%0.775SS**  trans70.4121161-165.90000118.8
459P41.7Very low34.3Very low122 Ų122139.4 Ų139.479%0.79277%0.766SS**  trans-104.8140.8153.536-27.7000112.6
460Q31.9Very low34.3Very low178 Ų178143 Ų14383%0.83278%0.78SS**  trans-145.5177.1160.6-96.1-155.6-3.400109.3
461T33.8Very low34Very low126 Ų126141.3 Ų141.377%0.77379%0.785SS**  trans88.5138-18073.60000116.2
462N36.5Very low35Very low147 Ų147138.2 Ų138.279%0.78678%0.782SS**  cis-163.9179.8-27-125.5-24000113.1
463S29.4Very low34.8Very low102 Ų102134.9 Ų134.971%0.71379%0.786SS**  trans82.1145.5160.7-54.50000116.1
464L35.6Very low35Very low152 Ų152133.4 Ų133.480%0.79679%0.787SS**  cis-138.8151.428.7-81.9166.1000115.9
465L34.8Very low35.2Very low165 Ų165134.8 Ų134.886%0.86479%0.792SS**  trans82148.2150.8-68.7159.8000122.2
466S28.7Very low35.2Very low109 Ų109131.8 Ų131.876%0.76279%0.793SS**  trans-125.4-161-170.1-26.60000110.1
467P57.3Low35.1Very low116 Ų116127 Ų12775%0.75379%0.792SS**  cis-114.1165.9-12.815.310.5000112.6
468Q31.5Very low35Very low194 Ų194126.8 Ų126.891%0.90779%0.79SS**  77.1124.753.2-161.9-178.8-0.800115.6
469G30.4Very low34.8Very low72 Ų72127.9 Ų127.974%0.74279%0.787SS**  trans-175.7149.7175.500000112.1
470E30.8Very low34.3Very low187 Ų187130.6 Ų130.687%0.87478%0.781SS**  trans-104.7138.9-156.2-63.1157.511900116.6
471D30.3Very low34.2Very low156 Ų156131.6 Ų131.683%0.83478%0.777SS**  50.6-176.1128-130.522000120.5
472P53.1Low34.2Very low99 Ų99134.6 Ų134.664%0.64378%0.78SS**  -131.4152.2-111.740.6-22.8000117.9
473S30.8Very low34.1Very low120 Ų120133.4 Ų133.484%0.83978%0.778SS**  171.9149.8128.944.90000114.2
474A35.3Very low34.4Very low100 Ų100134.3 Ų134.383%0.82678%0.781SS**  trans27140.5156.600000122.6
475A34Very low34.9Very low101 Ų101132.3 Ų132.384%0.83578%0.778SS**  cis-173.2152.6-10.600000111
476A31.1Very low34.8Very low92 Ų92130.5 Ų130.576%0.7677%0.773SS**  trans-169.4143.8151.200000112.7
477S30.7Very low35Very low108 Ų108132.8 Ų132.876%0.75577%0.772SS**  trans21.3104.8159.853.40000119.2
478A31.9Very low33.7Very low88 Ų88135.1 Ų135.173%0.72777%0.772SS**  65.793.483.300000113.6
479Q31.2Very low34.4Very low152 Ų152131.3 Ų131.371%0.7177%0.765SS**  65.3109.881.7-62.7-78.3-29.300112.5
480R31.4Very low34.4Very low178 Ų178131 Ų13167%0.67276%0.761SS**  80.8123.251.6-177-167.1-109.3-102.45.2112.6
481W29.4Very low34.5Very low199 Ų199126.9 Ų126.975%0.75475%0.753SS**  173176.6124.5-89.5116.5000113
482F34.4Very low34.6Very low189 Ų189125.9 Ų125.983%0.82975%0.748SS**  trans-127.4176.2-172-112.8-93.3000110
483V33.7Very low33.5Very low123 Ų123129.5 Ų129.575%0.74575%0.753SS**  trans82.6125.9164.3-167.90000118.1
484P35.2Very low33.6Very low120 Ų120131 Ų13178%0.77975%0.751SS**  trans-111.2146.1152.737-28.1000112.9
485P47.3Very low33.4Very low111 Ų111132.1 Ų132.172%0.72174%0.743SS**  trans-115.9154.717239.4-30.8000115
486V32.4Very low33.4Very low126 Ų126134.3 Ų134.376%0.76474%0.74SS**  trans56.8101.5136.8179.40000120.4
487Q32.6Very low33.3Very low157 Ų157134.4 Ų134.473%0.73474%0.736SS**  70112120.9-162.3174.6-1.400123.3
488Q30.6Very low33.3Very low165 Ų165138.8 Ų138.877%0.77174%0.737SS**  trans66.5169.4149-74.6-16721.600119.4
489P46.1Very low33.2Very low114 Ų114140.4 Ų140.474%0.7473%0.729SS**  cis-136.4171.5-45.938.2-23.4000114.1
490G29.4Very low33.2Very low65 Ų65138.7 Ų138.767%0.6773%0.725SS**  trans106.4105.3133.800000121.7
491S34Very low33.2Very low101 Ų101135.7 Ų135.771%0.70672%0.723SS**  trans77.4150.3136.379.50000122.2
492N31.2Very low33.5Very low136 Ų136135.6 Ų135.673%0.72772%0.723SS**  trans70.1150158.6-62.5-47.4000118.5
493K31.3Very low33.4Very low174 Ų174131 Ų13176%0.75771%0.714SS**  cis-173.9160.4-33.5-137.1-178.9-177.6-176.30107.8
494L33.6Very low33.4Very low151 Ų151131 Ų13179%0.79172%0.715SS**  trans67.9155.9164.6-61.5159.1000116.3
495D29.8Very low33.3Very low124 Ų124130.3 Ų130.366%0.66371%0.713SS**  cis-167.1159.9-36.3-147.7-13.8000110.1
496L34.7Very low32.7Very low148 Ų148129.7 Ų129.778%0.77571%0.711SS**  trans62.2155.1162.2-55.8167.7000117.9
497S28.1Very low33Very low94 Ų94132.2 Ų132.266%0.65772%0.719SS**  cis-167164.3-15.4-110.10000111.8
498Y30.4Very low33.1Very low199 Ų199131.8 Ų131.878%0.7872%0.721SS**  trans66.8136.6157-106.6-116.9000118.7
499E30.5Very low33Very low122 Ų122129.3 Ų129.357%0.5772%0.722SS**  cis-162168-16.9-148.8-167.6-150.500109.7
500N32Very low32.5Very low117 Ų117134.4 Ų134.463%0.62673%0.728SS**  trans36.1148.5149.6-86.729.4000122.7
501D30.8Very low32.7Very low115 Ų115134.8 Ų134.862%0.61573%0.732SS**  cis-157.2172.324-140.2-40.4000114.7
502Y35.9Very low32.9Very low197 Ų197138.1 Ų138.177%0.77374%0.741SS**  trans71.6106.3164.7-80.8-75.4000122.7
503S32.5Very low33Very low91 Ų91141.4 Ų141.464%0.63675%0.748SS**  trans56.1111.4138.5-61.50000121.1
504T32.2Very low33.6Very low125 Ų125138.9 Ų138.977%0.76775%0.75SS**  60.7135.265.772.70000115.2
505S33.3Very low33.7Very low104 Ų104139.8 Ų139.873%0.72775%0.754SS**  cis-175.4166.7-3-100.20000108.8
506S35.3Very low33.8Very low99 Ų99139 Ų13969%0.69276%0.758SS**  cis-176.5155.6-19.753.10000108.7
507L38.8Very low33.8Very low178 Ų178140.7 Ų140.793%0.93277%0.768SS**  trans-132.2144165-84.1175.1000111.5
508L34.5Very low34Very low148 Ų148145.4 Ų145.478%0.77578%0.779SS**  trans-103155-176-73.4170.4000112.5
509S28.7Very low34.1Very low113 Ų113141.4 Ų141.479%0.7978%0.776SS**  trans-131.9126.9177.8-680000111.9
510Y35.6Very low34.3Very low221 Ų221140.9 Ų140.987%0.86779%0.786SS**  trans-147.2144.9164.6-63.1-82.3000107.3
511G33Very low34.3Very low73 Ų73145 Ų14575%0.75380%0.801SS**  cis169.7126.2-6.800000109
512I38.3Very low34.4Very low172 Ų172143.9 Ų143.988%0.88281%0.807SS**  trans-118.7141.4-171.7-48.1174.7000109.9
513K34.6Very low34.5Very low204 Ų204142.5 Ų142.589%0.88781%0.812SS**  trans-129.2140.1170-77.5-172.7174.4-178.80111.3
514P43.4Very low34.3Very low121 Ų121143.1 Ų143.179%0.78682%0.817SS**  trans-106.9153.9-172.539.4-34.7000115.2
515L35.3Very low34.2Very low170 Ų170148 Ų14889%0.8982%0.822SS**  trans-154153160.1-69.7177000106.9
516S32.4Very low34.3Very low107 Ų107152.8 Ų152.875%0.74883%0.826SS**  cis-165.1127.9-26.650.10000107
517L33.5Very low35.2Very low185 Ų185153.9 Ų153.997%0.96983%0.831SS**  trans-99140.2179.4-84.2163.8000111.4
518Q33.8Very low34.9Very low192 Ų192151.5 Ų151.590%0.89782%0.819SS**  trans-143.2155.3172.8-161.71700.500110.2
519T31.8Very low35.1Very low116 Ų116149.5 Ų149.571%0.71282%0.817SS**  trans-121144.4-15753.90000115
520S34.9Very low35.6Very low111 Ų111148.5 Ų148.578%0.77682%0.816SS**  trans36.7118.2139.3-480000121.3
521H32.3Very low35.5Very low203 Ų203147.8 Ų147.894%0.9482%0.818SS**  trans-139.9162.8147.9-80.1-68.1000110.1
522A33.2Very low35.5Very low91 Ų91147.9 Ų147.975%0.75281%0.811SS**  trans-144.8157.6-165.100000115
523L37.8Very low35.5Very low168 Ų168145 Ų14588%0.8881%0.807SS**  trans51127.7163-9474.9000120.6
524S27.1Very low35.5Very low104 Ų104144.4 Ų144.473%0.72781%0.809SS**  trans-172.8121.9134.3-88.30000115.4
525Y30.5Very low35Very low227 Ų227143.8 Ų143.889%0.8981%0.814SS**  trans61.1146.4147.8-69.8-87.3000124.6
526Y36.5Very low35Very low206 Ų206140.4 Ų140.481%0.80881%0.811SS**  trans-121.1155.5171.6-133-111.9000107.8
527P54.5Low34.8Very low121 Ų121138.1 Ų138.179%0.78680%0.804SS**  -128.3156.682.52.721.8000113.7
528D32.3Very low34.7Very low128 Ų128141.8 Ų141.868%0.68481%0.805SS**  68.114377.8-149.161.9000113.8
529S38.4Very low34.5Very low106 Ų106136.1 Ų136.174%0.74180%0.799SS**  cis-134.2-134.325.2-46.70000116
530A38.6Very low34.6Very low92 Ų92136.8 Ų136.876%0.7680%0.803SS**  trans-152.4-166.5-150.300000117.4
531F33.3Very low34.4Very low206 Ų206143.2 Ų143.290%0.90481%0.81SS**  trans80.9150.5176.1-113.5-124.1000116.9
532A33.5Very low34.2Very low75 Ų75138 Ų13862%0.6280%0.797SS**  cis-143165.213.900000114.5
533S38.7Very low34.2Very low113 Ų113138.8 Ų138.879%0.7980%0.797SS**  trans-127.4151.1169.5-56.90000111
534M33.2Very low33.7Very low190 Ų190140.7 Ų140.794%0.93679%0.794SS**  trans-139.4139.6177.3-52.4-76.7-90.300108.8
535A34.3Very low33.7Very low108 Ų108141.6 Ų141.689%0.89379%0.786SS**  trans-147.3141-17600000114.2
536A34.9Very low33.7Very low100 Ų100139.9 Ų139.983%0.82678%0.778SS**  trans-170.9149.6158.400000107.2
537G28.9Very low33.4Very low58 Ų58137.9 Ų137.960%0.59877%0.774SS**  cis136.3164.9400000110.1
538W31.2Very low32.3Very low262 Ų262139.4 Ų139.499%0.99277%0.772SS**  trans66149.2177.5-43.272.1000114.1
539G28.6Very low32.2Very low74 Ų74138.8 Ų138.876%0.76377%0.773SS**  cis178.8140.7-9.600000111.6
540T33.3Very low32Very low130 Ų130140.5 Ų140.580%0.79878%0.779SS**  trans-68.7146.7-173.5-38.80000114.5
541R32.2Very low31.6Very low246 Ų246139.5 Ų139.593%0.92878%0.778SS**  trans-163.7154.6154.1-105.9151.3-139-83.4-0.6112.2
542S27Very low31.9Very low94 Ų94137.7 Ų137.766%0.65778%0.777SS**  trans-128.7142.6-169.5-46.70000114
543S32.8Very low32.6Very low107 Ų107138.9 Ų138.975%0.74878%0.779SS**  trans58.2-164.9145.275.50000119.4
544Y27.7Very low32.2Very low208 Ų208144.6 Ų144.682%0.81678%0.783SS**  trans75.4136.8-169.9-66.7-108.8000116.3
545Q28.4Very low32.3Very low122 Ų122140.4 Ų140.457%0.5777%0.772SS**  cis-172.5149.1-16.3-116.9-66.5-82.600110.2
546R30Very low32.7Very low191 Ų191140.6 Ų140.672%0.72176%0.764SS**  trans72.3154.8142.1-161166.8-63.2-150.60.6116.7
547K30.6Very low32.5Very low165 Ų165147.3 Ų147.372%0.71777%0.768SS**  cis-148.7140.118.8-137.3156.9170.6-164.30108
548M29.8Very low33.2Very low152 Ų152149.7 Ų149.775%0.74977%0.773SS**  54.1148.5103.2-59.3176.8169.700116.5
549T30.3Very low33.4Very low116 Ų116142.5 Ų142.571%0.71276%0.763SS**  cis-169.3148.20.7-99.30000106.4
550T33.9Very low34.3Very low141 Ų141144.7 Ų144.787%0.86576%0.764SS**  174.7149.189.4-34.70000109.5
551G32.1Very low35.1Very low72 Ų72145 Ų14574%0.74277%0.768SS**  trans143.2101.4166.100000115.2
552L39.1Very low35Very low168 Ų168137.2 Ų137.288%0.8876%0.757SS**  trans-127.8-179.7174.6-76.7173.6000107.9
553P48.2Very low35.3Very low100 Ų100142.8 Ų142.865%0.64977%0.769SS**  cis-131.7-165.4-15.116.49.1000114.2
554W29.8Very low35.3Very low232 Ų232141.5 Ų141.588%0.87977%0.765SS**  trans108.7137.6154.3-69.175.4000120.6
555S34.7Very low35.4Very low102 Ų102140.2 Ų140.271%0.71377%0.766SS**  trans-153.1-176.2166-500000105.1
556P42.9Very low35.5Very low112 Ų112140.5 Ų140.573%0.72777%0.772SS**  cis-137.8161.1-7.540.2-23.3000116
557R30.4Very low35.6Very low241 Ų241138.8 Ų138.891%0.90977%0.772SS**  trans58.5-171.1158.8-105.2-176.9-177.4-139.70.8115.3
558P43.4Very low35.7Very low108 Ų108138.9 Ų138.970%0.70178%0.779SS**  cis-119.7-160-37.537.1-20.5000112
559S37Very low35.7Very low112 Ų112134.5 Ų134.578%0.78377%0.774SS**  trans-84.2146.1178.752.20000115.8
560P45.8Very low35.6Very low120 Ų120135.7 Ų135.778%0.77978%0.781SS**  trans-117.6-176.1169.644.8-33.1000112.4
561P52.1Low35.4Very low136 Ų136133.7 Ų133.788%0.88378%0.779SS**  trans-129.3-142.8-130.439.2-15.7000116.4
562A29.9Very low35.2Very low83 Ų83139.5 Ų139.569%0.68678%0.783SS**  trans-129.3-169.7-162.600000115.4
563F32.7Very low34.7Very low211 Ų211137.4 Ų137.493%0.92577%0.769SS**  trans82.1151.1-177.9-64.1-84000116.3
564A33.1Very low33.9Very low79 Ų79140 Ų14065%0.65377%0.77SS**  cis-130.6-167.22.300000110.5
565E30.2Very low33.8Very low182 Ų182136.3 Ų136.385%0.8577%0.767SS**  cis-161.3176.216.8-147.6157.8150.500112.2
566D29Very low34.1Very low127 Ų127136.4 Ų136.468%0.67977%0.765SS**  trans-21.6161.4169.2-89.223.9000120.6
567Q32.9Very low33.5Very low155 Ų155140.1 Ų140.172%0.72477%0.773SS**  cis-163.1173.529.2-141.6152.871.300114.6
568L32.8Very low33.3Very low167 Ų167136.4 Ų136.487%0.87477%0.766SS**  trans2.8141.8162-9556.6000121.7
569G29.4Very low32.6Very low61 Ų61137.9 Ų137.963%0.62977%0.768SS**  cis163.9170-4.100000115.8
570T28.1Very low32.3Very low140 Ų140136.6 Ų136.686%0.85976%0.764SS**  trans43.9112160.455.20000119.1
571A29Very low31.5Very low100 Ų100139.8 Ų139.883%0.82677%0.768SS**  cis75.1110.237.100000116.7
572K29.4Very low31Very low193 Ų193138.5 Ų138.584%0.83976%0.76SS**  trans-174.9154.8152.6-101.6-168.3174.7178.90106.5
573E28.9Very low30.9Very low125 Ų125140.1 Ų140.158%0.58476%0.762SS**  cis171148.8-24.2-117.3-150121.500105
574K29.4Very low30.7Very low153 Ų153134.4 Ų134.467%0.66575%0.748SS**  trans69121.3155.8-69.1163.4176132.20120.9
575L28.8Very low30.3Very low155 Ų155136.2 Ų136.281%0.81275%0.751SS**  24.7155.9112.4-78.187.7000120.1
576P40.9Very low30.1Very low104 Ų104137.8 Ų137.868%0.67575%0.749SS**  cis-142.6173.9-28.940.6-23.8000114.6
577E30.3Very low30.2Very low190 Ų190138.6 Ų138.689%0.88875%0.752SS**  trans57164.4145.8-158.6158.8-171.800121.5
578E27Very low29.9Very low163 Ų163138.2 Ų138.276%0.76275%0.751SS**  trans86.8128.6164.5-133.4-165.299.700121.3
579N27.2Very low29.6Very low139 Ų139135.7 Ų135.774%0.74374%0.742SS**  trans90.6157.3139.1-125.5-33.5000122.7
580A31.9Very low29.8Very low86 Ų86137.6 Ų137.671%0.71175%0.746SS**  trans69104167.700000120.1
581Q29.5Very low29.8Very low186 Ų186139.8 Ų139.887%0.86975%0.746SS**  trans-67.4168.8140-57.4-179.6-50.500109.7
582P40.4Very low30Very low109 Ų109139.9 Ų139.971%0.70874%0.74SS**  -145.4159.294.838-23.4000116.3
583T28.7Very low30.5Very low118 Ų118136.1 Ų136.172%0.72473%0.729SS**  trans56.3108.314951.30000119.3
584S27.1Very low30.7Very low90 Ų90138.7 Ų138.763%0.62974%0.738SS**  75.296.567.376.10000113.4
585T25.8Very low30.7Very low118 Ų118135.5 Ų135.572%0.72474%0.735SS**  80.8145.97458.60000116.8
586W26.2Very low31Very low215 Ų215134.4 Ų134.481%0.81474%0.735SS**  trans85.2140.2152.1-76.3117.6000121.3
587I31.3Very low30.5Very low144 Ų144135.8 Ų135.874%0.73874%0.736SS**  trans70.9146.3151.8-70.7157.2000117.3
588E24.9Very low30.7Very low147 Ų147131.2 Ų131.269%0.68773%0.726SS**  cis176.4133.3-44.8163.1169.2-163.300108.1
589T28.3Very low30.9Very low113 Ų113128.3 Ų128.369%0.69372%0.723SS**  trans40.6118.616757.90000123.1
590S32.5Very low30.9Very low102 Ų102129.2 Ų129.271%0.71373%0.728SS**  67.8101.8114.9-49.70000122.9
591H28.3Very low31Very low186 Ų186130.3 Ų130.386%0.86173%0.73SS**  trans-143.1156.7143.8-75.9-37.3000106.9
592S33.7Very low31Very low101 Ų101125.1 Ų125.171%0.70673%0.727SS**  cis-169.8159.89.2142.60000108.5
593L39.4Very low30.7Very low115 Ų115126.3 Ų126.360%0.60273%0.732SS**  cis-172.7146.8-18.3-92.3178.2000108.4
594K32.9Very low30.6Very low178 Ų178132 Ų13277%0.77474%0.742SS**  trans62.5166.8139.2-73.9172.5-176.6173.40122.3
595S30.6Very low30.7Very low86 Ų86132.2 Ų132.260%0.60174%0.743SS**  cis173.8154.4-39.960.30000111.7
596V34.2Very low30.9Very low133 Ų133134.1 Ų134.181%0.80675%0.746SS**  trans70.5143.1146.4117.70000116.8
597D30.2Very low31Very low132 Ų132130 Ų13071%0.70674%0.744SS**  cis-138.2-135.8-8.4-158.246.7000108.4
598S34Very low31.1Very low95 Ų95127.1 Ų127.166%0.66474%0.736SS**  cis-172.6165.3-2.9-135.50000107.1
599S31.1Very low31.6Very low101 Ų101129.5 Ų129.571%0.70674%0.744SS**  cis-171.6169.8-24.641.70000108.9
600D28.3Very low31.8Very low158 Ų158133.8 Ų133.885%0.84575%0.748SS**  trans71.3-177.4164.4-149.83.8000119
601S34Very low31.6Very low109 Ų109138.7 Ų138.776%0.76275%0.751SS**  trans-130.6167.4-138.960.90000115.1
602G29.8Very low31.8Very low78 Ų78140.6 Ų140.680%0.80475%0.75SS**  trans-168.711917700000114.3
603V32.5Very low31.7Very low134 Ų134143.6 Ų143.681%0.81276%0.755SS**  trans-98.9135.6175.7173.80000110.3
604Y27.9Very low31.6Very low236 Ų236143 Ų14393%0.92576%0.761SS**  trans-145.2161.3158-117.3-85000112.1
605S28.4Very low32.3Very low95 Ų95140.6 Ų140.666%0.66476%0.763SS**  trans-147.8156-163.5-177.60000113.6
606M29.6Very low32.3Very low158 Ų158140.5 Ų140.578%0.77878%0.776SS**  trans65.8153.5170.6-74.9-82-171.500115.6
607V29.8Very low32.1Very low129 Ų129138.2 Ų138.278%0.78278%0.779SS**  cis-148.1133.138.5168.40000114.3
608C31.7Very low32.3Very low83 Ų83137.1 Ų137.156%0.56178%0.782SS**  trans21.8130.2147.8-57.20000124.5
609K35.7Very low32.3Very low198 Ų198137 Ų13786%0.86178%0.781SS**  -155.9125.597.7-96.8166.3-176.3173.30108.3
610R32.9Very low32.4Very low202 Ų202138.1 Ų138.176%0.76278%0.784SS**  59.6131.877.7-70.1-169.7-170.2-173.86.4113.5
611R29.3Very low32.6Very low206 Ų206137.9 Ų137.978%0.77778%0.778SS**  cis-166129.40.9161.2-175-81.9-176-6.5113
612R32.4Very low32.5Very low225 Ų225139.2 Ų139.285%0.84978%0.776SS**  trans39109.9142.9-171.9-175.9-80.4-156-4.7121.9
613M31.6Very low32.9Very low164 Ų164141 Ų14181%0.80878%0.777SS**  35.5125.5122.8-57-66.6169.400123.3
614S37Very low33.4Very low104 Ų104140.8 Ų140.873%0.72778%0.778SS**  63.1167.8126-510000120.3
615P47.6Very low33.6Very low126 Ų126135.7 Ų135.782%0.81877%0.771SS**  cis-138.2173.25.743.7-26.4000118.1
616G31.1Very low33.8Very low85 Ų85138.4 Ų138.488%0.87678%0.777SS**  trans66.3129.5134.900000122.9
617G29.9Very low33.8Very low85 Ų85139.8 Ų139.888%0.87678%0.779SS**  trans-173.6164.4170.100000112.4
618S33.4Very low33.9Very low109 Ų109139.6 Ų139.676%0.76278%0.782SS**  trans-143.5146.7-167178.70000116.1
619S34.7Very low33.7Very low93 Ų93145.3 Ų145.365%0.6580%0.8SS**  trans67.6162.814951.30000121.3
620T33.5Very low33.7Very low123 Ų123142.8 Ų142.876%0.75580%0.796SS**  trans72.7143.9173.773.90000115.8
621E31.1Very low33.6Very low154 Ų154141 Ų14172%0.7280%0.8SS**  cis-163.2174.8-14.4-125.3178.3-15000111.5
622N32.9Very low33.7Very low136 Ų136136.9 Ų136.973%0.72780%0.798SS**  trans58.3112.3154.1-57.6-32.9000120.7
623S37.9Very low33.7Very low117 Ų117130.3 Ų130.382%0.81879%0.793SS**  trans-99.4137.7156.1-53.80000110.7
624P42.3Very low33.6Very low129 Ų129131.1 Ų131.184%0.83879%0.794SS**  trans-92.7142.6171.134-31.6000112.7
625T33.8Very low33.3Very low128 Ų128134.5 Ų134.579%0.78580%0.799SS**  trans-120.9126.5176.753.10000112
626I32.3Very low32.4Very low153 Ų153137.5 Ų137.579%0.78580%0.795SS**  trans-160.5121.1155.123-176.7000107.9
627K28.5Very low32.2Very low187 Ų187139 Ų13981%0.81378%0.783SS**  61.2107.893.5-68.7-171.2176.7-176.10112.6
628C32.6Very low32.3Very low125 Ų125144.1 Ų144.185%0.84578%0.781SS**  75.3108.765.6-67.70000112.6
629E28Very low32.2Very low203 Ų203144.4 Ų144.495%0.94977%0.774SS**  trans-146.5145.4148.7-133.8158-141.700108.8
630D35.2Very low32.1Very low144 Ų144146.2 Ų146.277%0.7778%0.776SS**  trans-149.1135.7-174.4172.130000105.9
631L30.1Very low33Very low164 Ų164144.4 Ų144.486%0.85977%0.767SS**  trans-175.1164.8162.9-107.1166.8000112.5
632T32.6Very low33.2Very low120 Ų120146.7 Ų146.774%0.73677%0.774SS**  trans-120.2-166.3-162.153.10000112.9
633A31.1Very low33.1Very low88 Ų88143.1 Ų143.173%0.72777%0.77SS**  trans82.9115.2177.500000114.7
634E30.6Very low32.9Very low180 Ų180146.4 Ų146.484%0.84178%0.775SS**  86104.662.1-77.2-86.3-16600113.2
635E29.4Very low32.3Very low176 Ų176143.4 Ų143.482%0.82277%0.767SS**  -171132.4127.3-110.9-163128.800116.1
636Y29.5Very low32.2Very low189 Ų189147.4 Ų147.474%0.74177%0.769SS**  trans56.8110.1134.8-109.7-119.2000125.4
637N27.8Very low32.2Very low117 Ų117150.5 Ų150.563%0.62677%0.772SS**  48.9133.5125.8-79.5-67.4000123.5
638K30.4Very low32.4Very low191 Ų191145.5 Ų145.583%0.8377%0.766SS**  -164.7131.8104.4-162152.3-174172.20115.4
639D31.8Very low32.5Very low116 Ų116148.1 Ų148.162%0.6276%0.763SS**  trans-0.8149.5145.7-74.8-84.6000120.7
640N33.3Very low33.1Very low130 Ų130148.2 Ų148.270%0.69576%0.756SS**  cis-178-158.3-4.4-138.3-37.9000104.9
641P51.3Low33Very low85 Ų85148.1 Ų148.155%0.55276%0.761SS**  cis-137.8158.5-24.331-8.6000119.3
642K36.4Very low33.1Very low202 Ų202145.2 Ų145.288%0.87875%0.754SS**  trans68.2140.4150.2-64.1153.1-167.9174.60119.2
643G31Very low33.9Very low62 Ų62149.1 Ų149.164%0.63978%0.782SS**  cis166.7160.5-7.900000114.1
644M32.3Very low34.1Very low186 Ų186152.2 Ų152.292%0.91679%0.785SS**  trans44.1132.7169.3-79.472.2107.300120
645G31.1Very low34.3Very low65 Ų65150.7 Ų150.767%0.6778%0.782SS**  cis161.8178.6-3.300000113.3
646Y31.2Very low34.5Very low212 Ų212149.3 Ų149.383%0.83178%0.78SS**  trans72.299.2164.2-65-81.6000122.2
647Y33Very low34.8Very low218 Ų218147 Ų14786%0.85578%0.782SS**  64.6144.1120.1-102-91.9000125.5
648A32.5Very low35.3Very low82 Ų82148.9 Ų148.968%0.67879%0.792SS**  trans95.997.7144.300000122.8
649F34.4Very low35.6Very low181 Ų181146.1 Ų146.179%0.79479%0.789SS**  46.3127.9126.5-83.7-109.9000124.1
650Y39.3Very low35.9Very low204 Ų204148.2 Ų148.280%0.880%0.801SS**  trans27.1131.6141.3-70.8-103.6000122.2
651T33.8Very low36.1Very low143 Ų143149.6 Ų149.688%0.87781%0.809SS**  -166.8154.1104.426.30000112.6
652S32.2Very low34.8Very low102 Ų102155 Ų15571%0.71383%0.831SS**  trans-84.1166.3165.6-62.80000110.8
653P50.3Low34.6Very low203 Ų203150.7 Ų150.7100%1.31883%0.827SS**  -100.9077.2-17.434.1000115.9

Retrieved 653 of 653 residues in 181.1 ms (Link to these results)