A0A093GUG6_STRCA Loading...

Suppressor of cytokine signaling 6

SOCS family proteins form part of a classical negative feedback system that regulates cytokine signal transduction. May be a substrate recognition component of a SCF-like ECS (Elongin BC-CUL2/5-SOCS-box protein) E3 ubiquitin-protein ligase complex which mediates the ubiquitination and subsequent proteasomal degradation of target proteins. Regulates KIT degradation by ubiquitination of the tyrosine-phosphorylated receptor.

AlphaFold DB , UniProt , Accession A0A093GUG6, Species STRCA (Struthio camelus australis), Gene n/a, Length 534 aa.

Structure Viewer
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M41.4Very low41.9Very low240 Ų240180.1 Ų180.1100%1.18286%0.864SS**  0134.60-63.1159.484.800108.5
2K43.3Very low41.7Very low208 Ų208173.8 Ų173.890%0.90485%0.853SS**  trans-81.3121.6-179.6-63.5177.4-179.71780109.8
3K42Very low41Very low212 Ų212176.6 Ų176.692%0.92286%0.859SS**  trans-98.2106.2170.7-76.3-172.9177-179.40109.4
4I51Low40.4Very low147 Ų147174 Ų17475%0.75485%0.851SS**  trans-86.8120.3177.4-51174.5000108L6I4-L6 HydrophobicContact CG2-CG 4.42Å
5S34.2Very low40Very low106 Ų106171.9 Ų171.974%0.74184%0.844SS**  trans-103.1102.7175-168.20000109.8K7S5-K7 PolarHBondContact O-N 2.88Å
6L42.9Very low39.4Very low169 Ų169170.2 Ų170.289%0.88584%0.839SS**  trans-85.1103174-78.2168.2000110I4I4-L6 HydrophobicContact CG2-CG 4.42Å
7K40.7Very low39.4Very low182 Ų182171.2 Ų171.279%0.79184%0.838SS**  trans-101.7123.7165.9-85.9-174175.4178.40110.4S5S5-K7 PolarHBondContact O-N 2.88Å
8T43.5Very low39Very low123 Ų123167.3 Ų167.376%0.75583%0.83SS**  trans63.9120.8150.3-43.60000118.2
9I40.9Very low38.8Very low161 Ų161165.9 Ų165.983%0.82682%0.819SS**  -146.6126.9128.5-94.4135.9000107.9
10R41.8Very low38.7Very low239 Ų239165 Ų16590%0.90282%0.817SS**  trans-94.1127.9154.4-82.3179.9170.7174.7-4106.6
11K39.3Very low38.4Very low194 Ų194164 Ų16484%0.84381%0.811SS**  trans-160.5133.2149.1-115.4169.1-176-177.90110.6
12S39.9Very low37.8Very low105 Ų105158.7 Ų158.773%0.73480%0.797SS**  trans-83.4144.7170.649.80000110.2
13F32.6Very low37.2Very low210 Ų210156 Ų15692%0.92179%0.792SS**  trans-141165.5149.8-107.9-80000110.2
14N32.2Very low36.4Very low140 Ų140154.2 Ų154.275%0.74979%0.785SS**  trans-136.9177.5-171.6-148-32.6000107.5
15L34.9Very low35.3Very low143 Ų143154.5 Ų154.575%0.74978%0.783SS**  trans72.4152.5-171.1-67.669.8000113.1
16N30.3Very low35Very low144 Ų144157.8 Ų157.877%0.7779%0.787SS**  cis-147.8170.1-5.5-128.31.4000113.4
17K39.5Very low34.2Very low188 Ų188156.5 Ų156.582%0.81778%0.781SS**  trans-72.8129163.4176-177.1-180-178.80110
18S31.8Very low33.6Very low100 Ų100156.4 Ų156.470%0.69978%0.783SS**  trans-116.1145.4160.658.70000110.4
19K35.9Very low32.9Very low141 Ų141159.1 Ų159.161%0.61379%0.788SS**  trans-124.4121.8168.5168.5-149.5173.8-156.20103.1E21K19-E21 HydrophobicContact CD-CG 4.35Å; K19-E21 VanDerWaalsContact CE-CD 3.46Å; K19-E21 WeakPolarHBondContact CE-OE1 3.39Å; K19-E21 IonicContact NZ-OE1 3.99Å; K19-E21 PolarHBondContact NZ-OE1 2.6Å; K19-E21 IonicContact NZ-OE2 3.11Å; K19-E21 PolarHBondContact NZ-OE2 3.29Å
20D36.1Very low33.3Very low147 Ų147156.1 Ų156.179%0.78678%0.778SS**  trans-108.4145.8171.6-66.5-67.1000108.5
21E31.6Very low32.7Very low145 Ų145149.5 Ų149.568%0.67877%0.769SS**  trans-115.7154.4-174.3-67.7-179.9105.800110.3K19K19-E21 HydrophobicContact CD-CG 4.35Å; K19-E21 VanDerWaalsContact CE-CD 3.46Å; K19-E21 WeakPolarHBondContact CE-OE1 3.39Å; K19-E21 IonicContact NZ-OE1 3.99Å; K19-E21 PolarHBondContact NZ-OE1 2.6Å; K19-E21 IonicContact NZ-OE2 3.11Å; K19-E21 PolarHBondContact NZ-OE2 3.29Å
22S29.1Very low32.1Very low129 Ų129147.3 Ų147.390%0.90277%0.765SS**  trans-123.4109.5169.5-60.30000107.7
23D31.6Very low31.7Very low150 Ų150146.6 Ų146.680%0.80276%0.761SS**  trans-93.1-172.9173.3-112.2-38.7000110.9
24F24.9Very low31.4Very low175 Ų175143.7 Ų143.777%0.76875%0.75SS**  trans85.1129.5-178.2-69.6-103.8000115
25E28.4Very low31.2Very low154 Ų154145.8 Ų145.872%0.7275%0.752SS**  cis-157.2156.7-8.3-145.3167.3-159.600111.9
26E27.1Very low31Very low175 Ų175142 Ų14282%0.81875%0.749SS**  trans27120.1150.7-170.8165.2-127.100122.6
27D27.2Very low31.1Very low142 Ų142143.5 Ų143.576%0.75975%0.748SS**  -158.7-178.4123.7-145.4-20000112.3
28Q27.1Very low30.9Very low180 Ų180141 Ų14184%0.84174%0.744SS**  trans-87.1159.8-149.6-72.7165.436.500120.2
29Q28.6Very low30.9Very low180 Ų180143.8 Ų143.884%0.84175%0.751SS**  trans-73.4-174.5162.3-113.9-163.1-16.300112
30P50.3Low30.8Very low97 Ų97140.7 Ų140.763%0.6375%0.747SS**  cis-139.6-172.710.241.5-22.2000117.3
31S27.9Very low30.9Very low100 Ų100140.7 Ų140.770%0.69975%0.746SS**  trans80.9150.2146.179.50000119.2
32L28.2Very low30.9Very low148 Ų148143.3 Ų143.378%0.77576%0.756SS**  cis-159.4145.8-3.7-128.8168.7000111.5
33S29.9Very low30.9Very low91 Ų91140.5 Ų140.564%0.63675%0.747SS**  trans50.8167156.765.80000119.9
34E26.8Very low30.7Very low148 Ų148139.2 Ų139.269%0.69275%0.75SS**  cis-149.2150.717.3-166.178.4-141.100110.8
35F28.3Very low31Very low184 Ų184135.6 Ų135.681%0.80775%0.745SS**  trans-14.4152.7173.4-67.8-109.8000121.6
36G31.5Very low31.3Very low65 Ų65139.6 Ų139.667%0.6776%0.755SS**  cis151.2-168.7-2.600000114.8
37K31.8Very low31.5Very low175 Ų175135 Ų13576%0.76176%0.755SS**  trans78.4116.8176.1-56.7-153.7166.9-167.70116.8
38D34.4Very low31.9Very low135 Ų135136.9 Ų136.972%0.72276%0.757SS**  70.1130.380.7-45.5-27.1000111.3
39D32Very low32.1Very low158 Ų158134.1 Ų134.185%0.84575%0.747SS**  cis-159.6-177.2-21.4-158.430.2000105.3
40S34.7Very low32.3Very low76 Ų76133.1 Ų133.153%0.53175%0.747SS.*  cis-167.7178.218.766.70000112.3
41L37.4Very low31.5Very low148 Ų148132.8 Ų132.878%0.77575%0.752SS**  trans60.5106.1146.4-70.6166.4000122.1
42F31Very low31.3Very low199 Ų199133.3 Ų133.387%0.87376%0.756SS**  63.491.4117-112.2-95.7000121.3
43G30.7Very low31.4Very low70 Ų70132.4 Ų132.472%0.72276%0.761SS**  87.7141.790.400000121.9
44S27.4Very low31.3Very low124 Ų124136.6 Ų136.687%0.86777%0.77SS**  trans89166.3158.5-148.30000119.3
45C31.2Very low31.6Very low98 Ų98135.5 Ų135.566%0.66277%0.774SS**  trans-140.4171.9-154.8-55.10000114.3
46Y33.2Very low31.6Very low238 Ų238133.8 Ų133.893%0.93377%0.773SS**  trans76136168.4-53.5-77.4000118
47G31.3Very low31.6Very low79 Ų79134.9 Ų134.981%0.81477%0.77SS**  trans176.548179.800000119.3
48K35.8Very low31.7Very low182 Ų182134.9 Ų134.979%0.79177%0.773SS**  trans13.4135.3153.5-89.6169.2147.3-89.90123.2
49D31Very low31.8Very low121 Ų121135.1 Ų135.165%0.64777%0.774SS**  84.8144.3128.7-70.1-36.4000123.2
50L34Very low32.2Very low159 Ų159133.9 Ų133.983%0.83276%0.763SS**  trans72.996.1151-70.9163.9000123.4
51A32.2Very low32.3Very low90 Ų90138 Ų13874%0.74477%0.771SS**  74.2158.7109.100000123.8
52S25.6Very low32Very low111 Ų111134.9 Ų134.978%0.77678%0.776SS**  trans82.7124.9164-136.50000119.1
53C29.7Very low32.2Very low130 Ų130129.3 Ų129.388%0.87877%0.774SS**  trans-131.6112.4163.2-61.60000108.9
54E28.4Very low32.6Very low179 Ų179135.6 Ų135.684%0.83678%0.782SS**  trans-88.1172.5151.9-61.1-175119.100107.2
55V31.6Very low33Very low125 Ų125137.2 Ų137.276%0.75878%0.781SS**  cis-143.316827.6-178.40000110.2
56N29.6Very low33.2Very low147 Ų147143.6 Ų143.679%0.78679%0.791SS**  trans-63.1178.6172.3-52.3-63000112.9
57S30Very low33.4Very low88 Ų88137 Ų13762%0.61578%0.78SS**  166.3150.678.9-98.80000109.3
58E33.6Very low33.6Very low175 Ų175142.9 Ų142.982%0.81878%0.783SS**  cis-160.3174-17.3-29.4-166.2153.200105.5
59D37.7Very low33.5Very low140 Ų140140.3 Ų140.375%0.74979%0.788SS**  cis-158.7-164.6-12.7-17114.6000106.5
60E39.6Very low33.8Very low132 Ų132143.2 Ų143.262%0.61780%0.797SS**  trans74.4132.4155.1-75-93.393.100117.7
61K37.7Very low34.1Very low162 Ų162141.2 Ų141.270%0.70480%0.797SS**  cis-158129.74.7-174.6175.3-148.974.30113.3
62G31.5Very low34.5Very low84 Ų84144.3 Ų144.387%0.86680%0.8SS**  trans91.4146.6144.400000120.2
63G33.7Very low35.1Very low82 Ų82147.3 Ų147.385%0.84580%0.804SS**  trans11884.1161.600000116.8
64K39.2Very low35.6Very low202 Ų202144.4 Ų144.488%0.87880%0.796SS**  trans-77.8137.1173.2-67.3170.6178.8169.60111.6
65N35.6Very low36.3Very low158 Ų158141.8 Ų141.885%0.84579%0.793SS**  -169.3167.6123.8-102.6-38.5000116
66R35.6Very low36.4Very low231 Ų231144.6 Ų144.687%0.87280%0.802SS**  trans-64.4162.6179.6-68.2166.8173.2157.6-5112.2
67S37.1Very low37.1Very low101 Ų101147.1 Ų147.171%0.70681%0.806SS**  cis-169.6162.310.921.60000112.8
68K35.5Very low37.7Very low201 Ų201155 Ų15587%0.87482%0.823SS**  trans56.1114.1151.7-69.6175-179.9-177.70118.1
69S35.7Very low38.1Very low128 Ų128156.6 Ų156.690%0.89582%0.821SS**  trans-77.4134.1160.2430000111.4
70E36.8Very low38.1Very low182 Ų182158.6 Ų158.685%0.8583%0.831SS**  trans-111.6135.1169.3-172.9164.9-154.600108.7
71S39.8Very low38.1Very low117 Ų117157.1 Ų157.182%0.81884%0.835SS**  trans-135.9111.8-171.5-177.80000110.7
72L40.4Very low38.1Very low156 Ų156153.5 Ų153.582%0.81784%0.835SS**  trans-146.466.3-177-104.3170.4000112.3G74L72-G74 PolarHBondContact O-N 3.16Å; L72-G74 VanDerWaalsContact O-N 3.11Å
73M38.8Very low38.4Very low173 Ų173158.1 Ų158.185%0.85283%0.831SS**  trans-71.995.8167.8-106.7-80.6-79.300110.3T75M73-T75 PolarHBondContact O-N 3.33Å
74G39.2Very low38.6Very low70 Ų70160.8 Ų160.872%0.72282%0.822SS**  trans-83.6107.7-174.600000114.6L72L72-G74 PolarHBondContact O-N 3.16Å; L72-G74 VanDerWaalsContact O-N 3.11Å
75T43.1Very low38.4Very low124 Ų124159.5 Ų159.576%0.76182%0.816SS**  trans-109.1105.1172.357.60000112.6M73 K77M73-T75 PolarHBondContact O-N 3.33Å; T75-K77 PolarHBondContact O-N 3.4Å
76L33.9Very low38.3Very low183 Ų183158.3 Ų158.396%0.95881%0.806SS**  trans-88.893.7-178.9-79.6169.3000113.3
77K44.4Very low38.1Very low200 Ų200157 Ų15787%0.8781%0.806SS**PPolyproline II helixtrans-85.3117.1162.6-98.9-176.4175.1175.90110.8T75T75-K77 PolarHBondContact O-N 3.4Å
78R43.7Very low37.8Very low254 Ų254155.6 Ų155.696%0.95881%0.808SS**PPolyproline II helixtrans-74.5133.6172.7-166.2174.1-69154.5-0.2110.3
79R41.1Very low37.8Very low209 Ų209156.9 Ų156.979%0.78981%0.814SS**PPolyproline II helixtrans-96.3155-174.5-65.816660.9127.9-3.4111.9
80L37.4Very low37.5Very low181 Ų181153.9 Ų153.995%0.94880%0.803SS**  trans-125.1138158.1-70.8176.2000109.8
81S39.4Very low37.2Very low102 Ų102151.2 Ų151.271%0.71380%0.804SS**  trans-165.9145.6176.149.60000106.7
82A38.3Very low36.9Very low85 Ų85152.1 Ų152.170%0.70281%0.805SS**  cis-142.4156.743.200000111.2
83K38.2Very low37.5Very low181 Ų181149.8 Ų149.879%0.78780%0.799SS**  64.1136.284-138.2-171-179.3-165.30111.4
84Q36.9Very low37Very low139 Ų139146.3 Ų146.365%0.6579%0.792SS**  cis-173.612742.6-177.9160.3-84.300114.6
85K34.8Very low36.6Very low174 Ų174149 Ų14976%0.75779%0.794SS**  trans53.2163.2140.7-104.2-178.1168.8-153.20121.2
86Q34.7Very low35.8Very low134 Ų134148.4 Ų148.463%0.62680%0.795SS**  cis-164.3158.5-2.9-162.3169.8-1900112.1
87K32Very low35.7Very low203 Ų203144.8 Ų144.888%0.88379%0.785SS**  trans67.5148.2161.4-95.9178.9171.6-176.10118
88G30.4Very low35.1Very low72 Ų72138.6 Ų138.674%0.74277%0.771SS**  cis165.1146.3-15.700000116.2
89K36Very low34.6Very low228 Ų228133.5 Ų133.599%0.99176%0.763SS**  trans48133.9161.8-86.2-168.4173.3-172.20122.8
90G29.3Very low34.4Very low65 Ų65130.5 Ų130.567%0.6776%0.762SS**  trans141.7104.116000000111.3
91S29.4Very low34.3Very low126 Ų126128.1 Ų128.188%0.88175%0.751SS**  85.6127.169.864.60000114.6
92T32.7Very low34.2Very low136 Ų136128.4 Ų128.483%0.83475%0.748SS**  trans-94-176.6-17656.20000112.1
93P53.8Low33.9Very low107 Ų107133 Ų13370%0.69575%0.753SS**  cis-135.7-165-3.936.7-14.6000115.4
94S29.1Very low33.9Very low99 Ų99129.1 Ų129.169%0.69275%0.748SS**  trans91.3123.1134.366.60000124.3
95V29.9Very low33.7Very low127 Ų127127.9 Ų127.977%0.7776%0.755SS**  80.8135.5126168.10000121.6
96S27.2Very low33.6Very low112 Ų112124.7 Ų124.778%0.78376%0.755SS**  trans70.7160.6158.774.60000117
97S30.4Very low33.4Very low106 Ų106123.7 Ų123.774%0.74176%0.762SS**  cis-168.3169.2-14.5159.10000108.6
98A32.9Very low33.4Very low70 Ų70118.4 Ų118.458%0.57976%0.756SS**  trans71.8134.4164.800000116.3
99D33.4Very low34.5Very low147 Ų147120.1 Ų120.179%0.78676%0.755SS**  71.813061-39.1-29.2000110.6
100D35.8Very low34.4Very low146 Ų146116.3 Ų116.378%0.78174%0.743SS**  cis-157.1-162.5-8.5-146.1-41.9000109.1
101D35.5Very low34.5Very low132 Ų132117.8 Ų117.871%0.70674%0.74SS**  trans77.5107141.7-101-39.5000121.9
102T37.4Very low34.7Very low107 Ų107120.6 Ų120.666%0.65674%0.736SS**  104.7137.3110.3-92.60000123.8
103F32.7Very low34.6Very low183 Ų183122.8 Ų122.880%0.80374%0.735SS**  trans50.4103.5168.6-76.3-54.5000124.4
104S38.3Very low33.5Very low99 Ų99124.4 Ų124.469%0.69274%0.737SS**  22.9119122.6-54.90000122.3
105S32.9Very low33.9Very low113 Ų113126.2 Ų126.279%0.7974%0.744SS**  39.7115.4121.3-54.40000121.8
106S30.9Very low34.1Very low107 Ų107131.3 Ų131.375%0.74875%0.749SS**  137.7157.4109.374.90000116.2
107S31.3Very low34.3Very low112 Ų112129.9 Ų129.978%0.78374%0.744SS**  trans71.5128.9151.6-47.50000120.5
108A31.2Very low34.6Very low92 Ų92132.2 Ų132.276%0.7674%0.743SS**  trans-89.2-165.4164.900000109.9
109P55.1Low34.7Very low109 Ų109139.4 Ų139.471%0.70876%0.755SS**  cis-138.6-145.4-0.331.4-4.2000113.6
110I34Very low34.5Very low147 Ų147137.6 Ų137.675%0.75476%0.755SS**  trans83.4140.6161.8-62.9166.5000116.9
111T30.2Very low34.5Very low97 Ų97138.3 Ų138.360%0.59576%0.758SS**  cis-166.5162.4-34.644.30000110.5
112F33Very low34.3Very low184 Ų184143.7 Ų143.781%0.80777%0.768SS**  trans69.9151.1158.3-71.5-58.5000118.6
113K31.9Very low33.9Very low183 Ų183144 Ų14480%0.79678%0.775SS**  cis-138.1135.8-2.8-104.2158-178.6177.60106.4
114D30.4Very low34.2Very low140 Ų140141.8 Ų141.875%0.74978%0.776SS**  79.2113.465-169.319.9000115.4
115V37Very low33.8Very low137 Ų137143 Ų14383%0.8378%0.784SS**  trans-172.8134.2133.6144.50000110.8
116R33.8Very low34Very low234 Ų234145.4 Ų145.488%0.88379%0.788SS**  trans-23.6147.7170.2-82.7171.8-179.9163.22.9118
117A33.2Very low34.1Very low82 Ų82151.2 Ų151.268%0.67879%0.793SS**  cis-148-171.916.900000110.7
118Q35.2Very low34Very low156 Ų156152.8 Ų152.873%0.72979%0.793SS**  cis-141.6-173.817-107.1-53.4-9.800112.9
119R35.4Very low34.3Very low220 Ų220156.4 Ų156.483%0.8379%0.794SS**  trans-82.7163.4177.5-59.8167.1175.7124.4-7.9112.6
120S28.7Very low33.2Very low110 Ų110159.9 Ų159.977%0.76980%0.8SS**  cis-145.1151.37-155.10000112.8
121L36.3Very low33Very low161 Ų161164 Ų16484%0.84381%0.808SS**  trans-146.9145176.4-75172.4000110.8
122R30.8Very low33Very low244 Ų244164 Ų16492%0.92181%0.812SS**  trans168.5137.1138.1-89.4152-171.2-155.80.7108.3
123S30.6Very low33.3Very low115 Ų115161.1 Ų161.180%0.80481%0.812SS**  cis91.3147.532.4-162.30000114.2
124T38.9Very low33.5Very low136 Ų136158.5 Ų158.583%0.83481%0.811SS**  trans-80.6153.3-157.451.60000115.3
125S28.6Very low34Very low123 Ų123157.6 Ų157.686%0.8681%0.813SS**  trans-150.7159.6156.1-165.20000111.7
126L37.4Very low34Very low165 Ų165162.8 Ų162.886%0.86482%0.818SS**  trans-97.4139.6-176.1-66.1161.8000111.8
127R32.3Very low34.3Very low228 Ų228157 Ų15786%0.8681%0.811SS**  trans-168.2148.9140.6-118175.7178.7-119.6-2.1113.4
128N30.6Very low34.3Very low146 Ų146161.3 Ų161.378%0.78182%0.821SS**  trans-63.9141171.9-53.37000110.8
129H37.1Very low34.3Very low168 Ų168165.2 Ų165.278%0.77883%0.83SS**  trans-142151.4145.8-84.9-71000110.2
130H31.4Very low34.5Very low181 Ų181160.1 Ų160.184%0.83883%0.825SS**  trans-75.8150.9-175.1-65.2-127.3000110.7
131Y30.5Very low34.6Very low233 Ų233161.2 Ų161.291%0.91483%0.827SS**  trans-122.9113.6165.8-119.1-88.6000109.5
132S29.7Very low34.4Very low97 Ų97159.8 Ų159.868%0.67882%0.82SS**  trans-111.1128.3169.954.40000108.8
133P39Very low34.6Very low125 Ų125153.5 Ų153.581%0.81281%0.813SS**  trans-81.6134.3178.132.4-32.9000111.4
134T37.5Very low34.8Very low128 Ų128157.3 Ų157.379%0.78582%0.819SS**  trans-136.1154.3166.3300000110.2
135P40.6Very low34.6Very low120 Ų120159.2 Ų159.278%0.77982%0.818SS**PPolyproline II helixtrans-91.2158-14834.2-37.4000115.4
136W36.1Very low34.9Very low246 Ų246160 Ų16093%0.93282%0.818SS**PPolyproline II helixtrans-77.7132.1171.5-7093.4000111.5
137P40.5Very low34.5Very low114 Ų114157.9 Ų157.974%0.7482%0.815SS**PPolyproline II helixtrans-71.7142.9176.7-1932.4000113.3
138L33.1Very low34.5Very low171 Ų171155 Ų15590%0.89582%0.815SS**PPolyproline II helixtrans-66.3147.3165.3-63.9170.4000110.7
139R36.3Very low34.4Very low239 Ų239155.7 Ų155.790%0.90281%0.812SS**  trans-130128.3161.4-78.7-157.3-72.8-170-3.7110.8
140P38.2Very low34.1Very low113 Ų113156.4 Ų156.473%0.73482%0.817SS**  trans-89154.5165.136-32.5000111
141T31.6Very low34.1Very low132 Ų132154 Ų15481%0.8181%0.807SS**  trans179.3167.2135.927.20000110.3
142N30.8Very low34.2Very low132 Ų132149.6 Ų149.671%0.70680%0.803SS**  trans-12.5140.617155.3-5.9000120.1
143S35.8Very low34.4Very low111 Ų111153.3 Ų153.378%0.77681%0.807SS**  cis86.19328.385.30000116.4
144E34.8Very low34.3Very low195 Ų195153.7 Ų153.791%0.91181%0.807SS**  trans-154.3168149.652.2-165.1132.600110.1
145E35.1Very low34Very low176 Ų176156 Ų15682%0.82281%0.807SS**  trans-104.1151.8-147.4-60.5160.5103.200115.6
146T35.5Very low33.6Very low140 Ų140155 Ų15586%0.85981%0.808SS**  trans-164.3104.7143.65.90000111I148T146-I148 PolarHBondContact O-N 3.18Å
147C27.8Very low33.3Very low120 Ų120151.1 Ų151.181%0.81180%0.804SS**  trans-82.2116.8-177.3-640000112.2
148I33.1Very low33Very low168 Ų168152 Ų15286%0.86281%0.807SS**  trans-103.199.1161.6-60.5-176.3000108.9T146 M150T146-I148 PolarHBondContact O-N 3.18Å; I148-M150 PolarHBondContact O-N 3.22Å
149K28.6Very low32.9Very low161 Ų161152.6 Ų152.670%0.781%0.805SS**  trans-77.7103.9-178.2-179.1-168.9177.1-158.80110.4E151K149-E151 HydrophobicContact CD-CG 4.37Å; K149-E151 WeakPolarHBondContact CE-OE1 3.48Å; K149-E151 HydrophobicContact CG-CG 4.22Å; K149-E151 IonicContact NZ-OE1 2.62Å; K149-E151 PolarHBondContact NZ-OE1 2.88Å
150M31Very low32.5Very low182 Ų182146.5 Ų146.590%0.89780%0.8SS**  trans-99.198.2174.7-151170-161.700110.6I148 V152I148-M150 PolarHBondContact O-N 3.22Å; M150-V152 PolarHBondContact O-N 3.09Å
151E31.7Very low32Very low132 Ų132145.8 Ų145.862%0.61780%0.797SS**  trans-74.7116.3-178.6-64.1-175.1147.300111.7K149 K153K149-E151 HydrophobicContact CD-CG 4.37Å; K149-E151 WeakPolarHBondContact CE-OE1 3.48Å; K149-E151 HydrophobicContact CG-CG 4.22Å; K149-E151 IonicContact NZ-OE1 2.62Å; K149-E151 PolarHBondContact NZ-OE1 2.88Å; E151-K153 VanDerWaalsContact C-N 3.29Å; E151-K153 PolarHBondContact O-N 2.79Å
152V32.2Very low32Very low139 Ų139146.7 Ų146.784%0.84280%0.797SS**  trans-74.785.6169.4-178.10000109.1M150 V154M150-V152 PolarHBondContact O-N 3.09Å; V152-V154 PolarHBondContact O-N 3.09Å
153K33Very low32.6Very low175 Ų175146.2 Ų146.276%0.76180%0.801SS**  trans-77.184.5-178.5-171.1171.7-173.9165.70111.3E151 K155E151-K153 VanDerWaalsContact C-N 3.29Å; E151-K153 PolarHBondContact O-N 2.79Å; K153-K155 PolarHBondContact O-N 2.88Å
154V37.1Very low32.3Very low134 Ų134145.7 Ų145.781%0.81280%0.798SS**  trans-56.6120.8167.9-179.30000108.9V152V152-V154 PolarHBondContact O-N 3.09Å
155K30.3Very low32.8Very low177 Ų177142.5 Ų142.577%0.7779%0.793SS**  trans-148106.8169.7-146.6-174.2-174.3-164.80110.8K153K153-K155 PolarHBondContact O-N 2.88Å
156A33.8Very low32.5Very low97 Ų97138.4 Ų138.480%0.80279%0.79SS**  trans-64.2148.5164.700000109.9
157L29.9Very low32.5Very low165 Ų165140.2 Ų140.286%0.86479%0.793SS**  trans-141.5141.5169.5-169.960.2000110.1
158V32.7Very low32.6Very low132 Ų132142.4 Ų142.480%0.880%0.797SS**  trans-86.9160.1-172176.80000111.2
159H31.2Very low32.4Very low184 Ų184138.1 Ų138.185%0.85279%0.794SS**  trans-58.6145.3-172.4-52.1157.5000115.5
160S28Very low32.5Very low112 Ų112136.7 Ų136.778%0.78380%0.799SS**  trans-171.4143.8162.9-176.40000110.3
161S29Very low32.4Very low97 Ų97138.6 Ų138.668%0.67880%0.796SS**  cis-165.2150.2-22.1-77.60000109.4
162N31.1Very low32.3Very low151 Ų151139.4 Ų139.481%0.80780%0.798SS**  trans65.3171.2158-89.822.2000117.7
163P43.3Very low32.2Very low122 Ų122137.6 Ų137.679%0.79278%0.783SS**  cis-131.1166.81442.5-26.7000118.5
164S29.7Very low32Very low101 Ų101137.3 Ų137.371%0.70678%0.782SS**  trans-111.6158.3155.7520000108.1
165P43.9Very low31.7Very low127 Ų127138.4 Ų138.483%0.82578%0.778SS**  -155.1158.170.641-20.7000118.8
166A30.5Very low31.5Very low91 Ų91136.3 Ų136.375%0.75278%0.775SS**  trans-169.4104.3147.700000107.8
167L34.8Very low31.4Very low177 Ų177139.3 Ų139.393%0.92778%0.777SS**  73.8127.694.4-79.9176.3000115.6
168N29.7Very low31.2Very low166 Ų166139.5 Ų139.589%0.88877%0.774SS**  trans-90149.1-168.7-70.1-44.6000114.1
169G28.6Very low30.9Very low78 Ų78136.9 Ų136.980%0.80476%0.761SS**  trans-150.4118.2158.200000109.9
170V31.1Very low30.6Very low132 Ų132134.1 Ų134.180%0.875%0.753SS**  trans-139.7143.4-175.6173.70000109.8
171R28.1Very low30.5Very low221 Ų221135.9 Ų135.983%0.83475%0.753SS**  trans115.9137.1-178.6-72.6175.5-171.6-73.32.8110.7
172K31.5Very low30.5Very low150 Ų150136.4 Ų136.465%0.65275%0.752SS**  cis-159.1153.612.1-117.6171.4155.4-91.30109.8
173D29.3Very low30.3Very low101 Ų101138 Ų13854%0.5475%0.752SS.*  trans50.8151136-50.2-5000121.1
174F29.3Very low29.4Very low168 Ų168140.1 Ų140.174%0.73775%0.751SS**  cis-163.41551.9-118.1-43.4000112.4
175H30.7Very low29.2Very low157 Ų157141.4 Ų141.473%0.72775%0.746SS**  trans65.4135.2147.4-82.7-55000128
176D26.4Very low28.4Very low133 Ų133141.8 Ų141.871%0.71174%0.737SS**  trans-57.4163.3168.4-55.3-89.5000120.1
177L31Very low28.1Very low161 Ų161143 Ų14384%0.84373%0.731SS**  -175.1127.6128.2-97.4157.8000106.2
178Q25Very low27.8Very low168 Ų168141.2 Ų141.279%0.78572%0.723SS**  53.8137.251.7-81.3-161.4-26.100115.7
179S27.3Very low27.6Very low77 Ų77137.5 Ų137.554%0.53872%0.715SS.*  cis-165.1172.2-27.361.70000110.2
180D25.4Very low27.5Very low127 Ų127141.1 Ų141.168%0.67972%0.715SS**  trans53130.2152.7-47.2-44.8000122.5
181N25.3Very low27.4Very low149 Ų149142.8 Ų142.880%0.79771%0.711SS**  144.5155.2124.1-79-71.6000113.1
182V27.8Very low27.2Very low107 Ų107139 Ų13965%0.64871%0.708SS**  cis-176.1132-431230000108.8
183F27.2Very low27Very low185 Ų185137.5 Ų137.581%0.81171%0.711SS**  trans71.3163155.5-85.2-122.3000123.6
184Q25.5Very low26.8Very low166 Ų166140.7 Ų140.778%0.77672%0.723SS**  trans89131.7147.6-137150.628.100119.2
185E24.6Very low26.6Very low128 Ų128138 Ų13860%0.59873%0.725SS**  cis-165.6162.1-27.2-119.3-174.711900111.6
186Q27.3Very low26.6Very low136 Ų136139.4 Ų139.464%0.63673%0.732SS**  trans52.7157.8146.3-66.4-17326.600125
187N25.3Very low26.7Very low117 Ų117141 Ų14163%0.62674%0.74SS**  trans94.198.4142.2-72.1-40.8000122.6
188N26.5Very low26.5Very low139 Ų139137 Ų13774%0.74374%0.738SS**  61.595.5113.9-70.2-34.8000121.8
189A25.7Very low26.6Very low87 Ų87136.8 Ų136.872%0.71974%0.742SS**  63.1156.410300000123.5
190L28.2Very low26.9Very low154 Ų154140.5 Ų140.581%0.80676%0.755SS**  trans90.7127.2152.9-81157000122
191K28.2Very low27.2Very low167 Ų167142.9 Ų142.973%0.72676%0.761SS**  trans92.4118.3148.9-71.1169.1179.81760121.1
192N23.8Very low27.5Very low142 Ų142143.6 Ų143.676%0.75976%0.764SS**  45.1145.8116.8-47.812.9000119
193T27.6Very low27.5Very low119 Ų119148.6 Ų148.673%0.7377%0.772SS**  cis-154.8173.326.9-30.20000111.2
194E24.4Very low27.9Very low168 Ų168147.4 Ų147.479%0.78577%0.772SS**  trans-64.8156.1177.7-53.5136107.700113.8
195S26.1Very low28.1Very low111 Ų111145 Ų14578%0.77677%0.765SS**  171.2154.5111-760000115.6
196Q30.1Very low28.4Very low186 Ų186147.1 Ų147.187%0.86978%0.775SS**  trans81113158.1-50.1-144.9-700121.4
197N27.6Very low28.7Very low168 Ų168149.8 Ų149.890%0.89879%0.787SS**  trans-8142.7139.8-54.8-19.1000118.2
198G27.8Very low29Very low76 Ų76150.1 Ų150.178%0.78479%0.792SS**  trans173.575161.500000118.4
199D26.4Very low29.4Very low164 Ų164149 Ų14988%0.87779%0.793SS**  trans64.5173149.8-147.43.2000120
200L33.8Very low29.7Very low154 Ų154150.5 Ų150.581%0.80679%0.793SS**  trans-104123.6-167.8-68.7153.7000112.4
201H32.2Very low29.9Very low177 Ų177149.8 Ų149.882%0.81979%0.794SS**  trans-149.8120.8149.1-147.3-86.1000113.3
202L30.8Very low30.4Very low164 Ų164148 Ų14886%0.85979%0.792SS**  trans-76.4128.9163.5-73.7167.4000108.5
203R27.9Very low30.6Very low212 Ų212144.6 Ų144.680%0.879%0.79SS**  trans-131.2129.2162-165.5173.8175.7172.30.3109.6D205R203-D205 IonicContact NE-OD2 3.15Å; R203-D205 IonicContact NH2-OD2 2.72Å
204I36.5Very low30.9Very low160 Ų160146 Ų14682%0.82179%0.792SS**  trans-103.3111.4-179.6-64.6163.5000107.3
205D28.7Very low31.4Very low117 Ų117145.9 Ų145.963%0.62679%0.794SS**  trans-165.5149.5164.2-84.5-46000104.7R203R203-D205 IonicContact NE-OD2 3.15Å; R203-D205 IonicContact NH2-OD2 2.72Å
206E32Very low31.8Very low172 Ų172146.3 Ų146.380%0.80479%0.794SS**  cis-145.7-178.12.6-145.4172.9176.300109.2
207H32.2Very low32Very low192 Ų192145.7 Ų145.789%0.88979%0.791SS**  trans-80.4132.5-173.7-63.7-20.1000114.5
208V32.8Very low32.1Very low123 Ų123144.5 Ų144.575%0.74579%0.785SS**  trans-128.6127.4168.7-176.70000110V210V208-V210 PolarHBondContact O-N 2.85Å
209P34.1Very low32.5Very low116 Ų116151.8 Ų151.875%0.75379%0.79SS**  trans-81105.3-176.631.1-33.9000112.3V211P209-V211 PolarHBondContact O-N 2.98Å
210V33.3Very low33Very low118 Ų118150 Ų15072%0.71578%0.78SS**  trans-80.9107.5174.3-174.90000110.5V208 I212V208-V210 PolarHBondContact O-N 2.85Å; V210-I212 HydrophobicContact CG1-CG1 3.8Å; V210-I212 PolarHBondContact O-N 2.86Å; V210-I212 VanDerWaalsContact O-N 3.16Å
211V31.5Very low32.6Very low139 Ų139150.7 Ų150.784%0.84278%0.778SS**  trans-76.895.6171.3179.90000109.3P209 G213P209-V211 PolarHBondContact O-N 2.98Å; V211-G213 PolarHBondContact O-N 2.67Å; V211-G213 VanDerWaalsContact O-N 3.16Å
212I38.4Very low32.7Very low130 Ų130151.5 Ų151.567%0.66778%0.776SS**  trans-83.190.3175.4-52.9-178.8000109.5V210 L214V210-I212 HydrophobicContact CG1-CG1 3.8Å; V210-I212 PolarHBondContact O-N 2.86Å; V210-I212 VanDerWaalsContact O-N 3.16Å; I212-L214 HydrophobicContact CG2-CD2 3.65Å; I212-L214 HydrophobicContact CG2-CG 3.99Å; I212-L214 PolarHBondContact O-N 2.95Å
213G28.4Very low32.9Very low71 Ų71149.2 Ų149.273%0.73277%0.769SS**  trans-73.7108166.800000110.8V211V211-G213 PolarHBondContact O-N 2.67Å; V211-G213 VanDerWaalsContact O-N 3.16Å
214L34.2Very low33.5Very low147 Ų147144.7 Ų144.777%0.7777%0.765SS**  trans-90.9105.1177.2-65.6178000111.2I212I212-L214 HydrophobicContact CG2-CD2 3.65Å; I212-L214 HydrophobicContact CG2-CG 3.99Å; I212-L214 PolarHBondContact O-N 2.95Å
215M34Very low33.6Very low166 Ų166142.9 Ų142.982%0.81876%0.763SS**  trans-82.9146.6157.6-78.5-67.9105.900110Q217M215-Q217 PolarHBondContact O-N 3.31Å
216P35.9Very low34.2Very low121 Ų121145.3 Ų145.379%0.78678%0.775SS**  trans-85105.8-175.232.5-33000111.7
217Q33.4Very low34.6Very low172 Ų172145.1 Ų145.180%0.80478%0.78SS**  trans-132147.9165.2-76.3-172.8-26.500112.1M215M215-Q217 PolarHBondContact O-N 3.31Å
218D30.3Very low34.9Very low144 Ų144145.3 Ų145.377%0.7778%0.781SS**  trans66121.3162.5-54.1-21.7000121.5I220D218-I220 PolarHBondContact O-N 3.04Å
219Y36.3Very low34.8Very low229 Ų229142.4 Ų142.490%0.89878%0.776SS**  trans-68.9112.4170-111.1-105000110.2Q221Y219-Q221 PolarHBondContact O-N 3.45Å
220I35.3Very low34.7Very low127 Ų127145.7 Ų145.765%0.65178%0.783SS**  trans-73.997.1171.7-53.2-179.5000109.5D218 Y222D218-I220 PolarHBondContact O-N 3.04Å; I220-Y222 HydrophobicContact CB-CD2 4.44Å; I220-Y222 HydrophobicContact CB-CE2 4.14Å; I220-Y222 HydrophobicContact CG2-CD2 3.78Å; I220-Y222 HydrophobicContact CG2-CE1 4.5Å; I220-Y222 HydrophobicContact CG2-CE2 3.4Å; I220-Y222 HydrophobicContact CG2-CG 4.49Å; I220-Y222 PolarHBondContact O-N 3.24Å
221Q26.2Very low34.9Very low167 Ų167151 Ų15178%0.7879%0.792SS**  trans-75.588.4178.2-170.917822.700111Y219 T223Y219-Q221 PolarHBondContact O-N 3.45Å; Q221-T223 PolarHBondContact O-N 2.81Å
222Y33.7Very low35.3Very low194 Ų194150.1 Ų150.176%0.76179%0.789SS**  trans-72.487.3173-79.7-76.1000111.8I220 V224I220-Y222 HydrophobicContact CB-CD2 4.44Å; I220-Y222 HydrophobicContact CB-CE2 4.14Å; I220-Y222 HydrophobicContact CG2-CD2 3.78Å; I220-Y222 HydrophobicContact CG2-CE1 4.5Å; I220-Y222 HydrophobicContact CG2-CE2 3.4Å; I220-Y222 HydrophobicContact CG2-CG 4.49Å; I220-Y222 PolarHBondContact O-N 3.24Å; Y222-V224 PolarHBondContact O-N 3.49Å
223T36Very low35.1Very low117 Ų117152.2 Ų152.272%0.71880%0.801SS**PPolyproline II helixtrans-63.7118.7168.7-55.10000109.9Q221Q221-T223 PolarHBondContact O-N 2.81Å
224V40.5Very low35.4Very low117 Ų117158.1 Ų158.171%0.70981%0.81SS**PPolyproline II helixtrans-76.5133.4173-174.50000108.4Y222 L226Y222-V224 PolarHBondContact O-N 3.49Å; V224-L226 PolarHBondContact O-N 3.11Å
225P37.4Very low35.2Very low121 Ų121154.4 Ų154.479%0.78681%0.806SS**PPolyproline II helixtrans-54.9134.2173.7-25.835000111.5
226L42.4Very low35Very low168 Ų168152.1 Ų152.188%0.8881%0.807SS**PPolyproline II helixtrans-82.3156173.1-71.3171.1000110.5V224V224-L226 PolarHBondContact O-N 3.11Å
227D40.7Very low34.6Very low169 Ų169158.4 Ų158.490%0.90482%0.815SS**PPolyproline II helixtrans-71.2123.5-176-160.626.7000110.7
228E37.4Very low34.3Very low196 Ų196155.4 Ų155.492%0.91681%0.813SS**  trans-104.4108.7-176.8-175.1170.7-159.200109.9
229G31.9Very low34.1Very low61 Ų61158.6 Ų158.663%0.62982%0.816SS**  trans-162.942.8-16200000117.6
230M32Very low33.8Very low186 Ų186153.9 Ų153.992%0.91682%0.815SS**  trans-142.299.6164.4-86.2-62.1-17400111.9
231Y35.9Very low33.5Very low228 Ų228155.7 Ų155.789%0.89483%0.825SS**PPolyproline II helixtrans-85.6127.2168.6-78.4-87.5000110.9
232P40.6Very low33.7Very low121 Ų121154.6 Ų154.679%0.78682%0.824SS**PPolyproline II helixtrans-81.2125.7158.330.7-27.4000109.8
233L35.6Very low33.3Very low175 Ų175149.5 Ų149.592%0.91682%0.817SS**PPolyproline II helixtrans-83.6125.3173.4-175.566.6000109.8
234E34.6Very low33.3Very low195 Ų195148.7 Ų148.791%0.91182%0.816SS**PPolyproline II helixtrans-75.8142-175.8-167.7173.8-150.700112.7
235G28.9Very low33Very low68 Ų68148.5 Ų148.570%0.70182%0.82SS**  trans-150.374.3-167.800000116
236S29.8Very low33.8Very low118 Ų118148.2 Ų148.283%0.82582%0.818SS**  trans4593.6148.4-61.80000121
237R28.7Very low33.2Very low254 Ų254147 Ų14796%0.95881%0.81SS**  trans33.6124.6134.5-66.8-178.4172.3-177.1-3120.7
238S25.4Very low32.8Very low108 Ų108146.8 Ų146.876%0.75580%0.803SS**  trans-146.6149.9142.3-169.10000111.4
239Y27.5Very low32.5Very low212 Ų212142.9 Ų142.983%0.83179%0.792SS**  trans-52.4158.9-171.8-48-87.7000115
240C28.7Very low32.3Very low130 Ų130144.6 Ų144.688%0.87879%0.794SS**  -156.4170.354.1-78.30000117.3
241L30.8Very low32.1Very low165 Ų165141.5 Ų141.586%0.86479%0.786SS**  trans-67.2173.6168.5-68.5161.9000113.5
242D28.5Very low31.7Very low144 Ų144136.8 Ų136.877%0.7778%0.781SS**  cis-178.9169-19.4179.229000109.1
243S26.6Very low30.9Very low86 Ų86135.6 Ų135.660%0.60178%0.775SS**  trans64.8121.8172-166.40000117.8
244S34.7Very low30.4Very low101 Ų101131.9 Ų131.971%0.70676%0.764SS**  71137.751.1100.10000113.4
245S35Very low30Very low112 Ų112131.1 Ų131.178%0.78376%0.761SS**  cis-168.2-165.7-5.3-93.90000107.4
246P54.7Low29.9Very low115 Ų115134.6 Ų134.675%0.74777%0.768SS**  cis-122.6-158.6-8.535.8-12.1000111.1
247M28.6Very low29.6Very low144 Ų144132.8 Ų132.871%0.70977%0.768SS**  cis-161.3127.517.5-159.2156.9172.700113.8
248E33.2Very low29.5Very low163 Ų163124.3 Ų124.376%0.76276%0.759SS**  trans55.8153.9142.3-64.3-173.9153.300122
249V31.5Very low29.5Very low115 Ų115127 Ų12770%0.69777%0.766SS**  cis-148.9154.66.593.90000112.4
250S26.7Very low29.4Very low96 Ų96120.9 Ų120.967%0.67176%0.759SS**  trans28.8146.4152.8-580000123.5
251T27.9Very low29.2Very low122 Ų122123.6 Ų123.675%0.74876%0.756SS**  cis-162139.9-4.214.20000112.1
252V27.3Very low29Very low128 Ų128122.7 Ų122.778%0.77675%0.747SS**  2.7143.7128.6178.30000117.9
253S24.1Very low28.9Very low96 Ų96122.4 Ų122.467%0.67174%0.741SS**  cis-177.7165.2-19.2-88.40000109.7
254S25.1Very low29Very low97 Ų97125.7 Ų125.768%0.67875%0.747SS**  trans62.2127.5146.8-65.30000122.3
255Q26.8Very low28.5Very low180 Ų180128 Ų12884%0.84175%0.746SS**  trans57136.9135.2-56.8175.4-2700118.3
256V26.2Very low28Very low140 Ų140126.5 Ų126.585%0.84874%0.736SS**  -158.516559.91600000109.5
257G24.5Very low26.7Very low80 Ų80129 Ų12983%0.82574%0.738SS**  trans-64.3-176.4-169.900000119
258G26.5Very low26.7Very low76 Ų76128 Ų12878%0.78474%0.74SS**  trans-167.1144.8-178.700000111.1
259N24.1Very low26.4Very low166 Ų166126.2 Ų126.289%0.88874%0.735SS**  trans-101.1173.2-179.8-77.3-13.5000111.6
260A26.3Very low26.4Very low83 Ų83128.1 Ų128.169%0.68674%0.737SS**  trans88.8114.4145.400000120.2
261F25.4Very low26.5Very low187 Ų187130.1 Ų130.182%0.8274%0.74SS**  42.5141.2115.9-64.2-68.9000122.6
262H26.2Very low26.7Very low145 Ų145130 Ų13067%0.67174%0.739SS**  trans70.9143.6149.9-82.4-121.2000117
263E26.6Very low26.9Very low138 Ų138129.7 Ų129.765%0.64574%0.736SS**  cis-156.4-159.6-14-151.1161.1-156.900109.3
264E26.9Very low27.2Very low155 Ų155131.6 Ų131.672%0.72474%0.744SS**  trans-14.5156.3146.7-78.6178.114200118.3
265E26.1Very low27.6Very low149 Ų149130.9 Ų130.970%0.69674%0.744SS**  cis-159.6175.521.9-141.3-162.6123.300112.9
266S24Very low27.7Very low81 Ų81127.1 Ų127.157%0.56674%0.738SS**  trans34.2150.4134.7-74.40000123.5
267Q27.4Very low27.8Very low167 Ų167126.4 Ų126.478%0.7873%0.729SS**  cis-177.3-179.5-5.7180175.716.600107.9
268V28.6Very low28.3Very low124 Ų124129.4 Ų129.475%0.75273%0.725SS**  trans77.9112166.4-164.80000114.1
269D27.1Very low28.4Very low125 Ų125134.1 Ų134.167%0.66872%0.724SS**  cis98.7136.426.4-1647.7000114
270Q30.9Very low28.8Very low156 Ų156132.1 Ų132.173%0.72972%0.717SS**  trans62.5143.8173.1-83.6147.775.900119
271D29.5Very low29.2Very low138 Ų138134.9 Ų134.974%0.73872%0.72SS**  cis-166.2178.7-13.2-154-16.3000110.2
272V32Very low30.3Very low120 Ų120131.7 Ų131.773%0.72772%0.718SS**  trans70.1135.8151.9158.30000118.9
273V31.1Very low30.9Very low120 Ų120128.7 Ų128.773%0.72772%0.719SS**  cis-167.6153.5-22.986.30000109.7
274V30.5Very low31.1Very low137 Ų137128.4 Ų128.483%0.8373%0.726SS**  trans62138.7166.4164.80000117.2
275A32Very low31.3Very low81 Ų81128.7 Ų128.767%0.66973%0.733SS**  cis-165.6170.7-25.600000105.6
276S29.4Very low31.4Very low102 Ų102125.7 Ų125.771%0.71374%0.742SS**  cis-140.1-157.913.7-51.30000108.8
277D29.6Very low31.6Very low125 Ų125129.4 Ų129.467%0.66876%0.755SS**  cis-157.9-176.110.2-134.6-52.5000113.2
278I33.7Very low31.9Very low143 Ų143127.9 Ų127.973%0.73375%0.751SS**  trans-51.4115.7-178.5-67.3156.6000113.6
279F29.5Very low32Very low174 Ų174129.6 Ų129.676%0.76375%0.754SS**  59.5119.478.6-83.7-105000115.1
280V32.5Very low32Very low125 Ų125126.7 Ų126.776%0.75875%0.754SS**  cis94.2134.838.7175.40000113.8
281D35.2Very low32.2Very low140 Ų140125.4 Ų125.475%0.74976%0.757SS**  trans-22.3157.9161.2-98.7-61000118.1
282P48.3Very low32.4Very low120 Ų120125.9 Ų125.978%0.77977%0.765SS**  -155-175.260.242.9-21.4000118.8
283A37.6Very low32.4Very low83 Ų83123.2 Ų123.269%0.68676%0.761SS**  trans-98.8154.5173.200000113.9
284V32Very low32.5Very low131 Ų131124.7 Ų124.779%0.79477%0.771SS**  -178149.6129.7-90.80000112.7
285N29.5Very low32.6Very low162 Ų162125.5 Ų125.587%0.86677%0.767SS**  trans35.2122.4148.7-57.7-19.9000121.6
286G28.1Very low32.6Very low85 Ų85127.9 Ų127.988%0.87677%0.768SS**  trans-165.5141.5165.300000114.5
287L29.9Very low32.5Very low160 Ų160131 Ų13184%0.83877%0.771SS**  trans-120.5161.5-170.9-164.177.5000111.4
288L32.6Very low32.4Very low135 Ų135130.3 Ų130.371%0.70778%0.776SS**  trans94112.9157.2-54.1174.3000122.3
289I30.5Very low33Very low160 Ų160129.1 Ų129.182%0.82178%0.778SS**  46.7122119.7-54.5177.3000122
290G28.2Very low33.1Very low64 Ų64132 Ų13266%0.6678%0.783SS**  trans95.7161.7139.900000118.2
291T33.9Very low32.9Very low129 Ų129131.7 Ų131.779%0.79178%0.782SS**  cis-167.6173.1-15.1-3.40000110.8
292T34.7Very low32.5Very low147 Ų147131.5 Ų131.590%0.90278%0.781SS**  trans75.1153.1171.977.90000117.5
293G32.1Very low31.7Very low64 Ų64134.5 Ų134.566%0.6678%0.784SS**  cis164.8171.9-11.400000115
294V32.9Very low31.6Very low152 Ų152135.2 Ų135.292%0.92178%0.784SS**  trans75.4160.2165.3-166.70000117.5
295M33.3Very low31.6Very low154 Ų154136.7 Ų136.776%0.75979%0.788SS**  -166.5144.3-78.8-130.2-166.216900112.3
296L30.5Very low32.1Very low131 Ų131135.3 Ų135.369%0.68679%0.785SS**  trans62.7165.5158.5-59.1165.3000116.4
297Q28.2Very low32.6Very low168 Ų168136.7 Ų136.779%0.78578%0.778SS**  cis-150.9172.60.3-141.3161.157.500110.8
298S28Very low33.4Very low109 Ų109135 Ų13576%0.76278%0.777SS**  trans-129.1163.8170.8-45.20000110.1
299P46Very low33.3Very low119 Ų119136.8 Ų136.877%0.77379%0.786SS**  -156.9160.390.739.9-21000118.5
300R30.7Very low33.5Very low233 Ų233134.6 Ų134.688%0.87979%0.785SS**  trans33146.6141.5-66-177.4169.6168.3-3.6121
301V29Very low33.8Very low120 Ų120137.8 Ų137.873%0.72779%0.794SS**  -155.8137.456.8165.80000113.5
302N27Very low33.5Very low136 Ų136139.8 Ų139.873%0.72780%0.799SS**  trans31.8123.1156.3-52.5-2.3000122.6
303H31.1Very low33.5Very low183 Ų183140.7 Ų140.785%0.84780%0.797SS**  -156.5147.9107.2-119.2-90000112.3
304S35.5Very low33.8Very low98 Ų98143.2 Ų143.269%0.68580%0.802SS**  trans10.3109.4167.953.50000121.6
305D32.4Very low34.2Very low162 Ų162141.5 Ų141.587%0.86679%0.794SS**  trans-173.7136.2140.8-108.9-25.8000112.3
306V40Very low34.2Very low133 Ų133142.6 Ų142.681%0.80680%0.799SS**  trans-156.4124.6167.9-173.40000111.6
307P37.4Very low34.2Very low114 Ų114145.8 Ų145.874%0.7481%0.811SS**  -130.1151.9126.136.9-30.4000112.9
308P46.3Very low34.3Very low124 Ų124143.4 Ų143.481%0.80580%0.803SS**  trans-83.9158.4-178.234-35.5000114.1
309L31.8Very low34.3Very low173 Ų173145.2 Ų145.291%0.90681%0.805SS**  trans-79.2128-174.2-65.3165.4000113.8
310S33.4Very low33.8Very low113 Ų113147 Ų14779%0.7980%0.803SS**  trans-175.4134.5150.9-81.40000111.1
311P35.5Very low33.9Very low131 Ų131143.8 Ų143.885%0.85180%0.801SS**  trans-119.4103.8160.433-19.7000111.8
312L26.9Very low34Very low172 Ų172146 Ų14690%0.90180%0.804SS**  trans-84.6159.3152.3-85.1146.2000109.1
313L35.6Very low34.2Very low165 Ų165150.5 Ų150.586%0.86481%0.81SS**  trans-60.4168.1173.1-59.7161.3000111.3
314P37.4Very low34.3Very low117 Ų117146 Ų14676%0.7680%0.8SS**  cis-140.9-136.919.544.3-21.8000111.1
315P42.2Very low34.1Very low117 Ų117150.6 Ų150.676%0.7681%0.808SS**  cis-127.5-174.3-27.938.5-20.7000114.9
316M33.6Very low34Very low176 Ų176150.5 Ų150.587%0.86781%0.807SS**  trans-53.5150.8-178.1-45.2-169.174.600118.1
317Q30.8Very low33.6Very low198 Ų198147.6 Ų147.693%0.92580%0.804SS**  -156.9135.7119.3-118.1176.43.200116.6
318N30.2Very low33.6Very low118 Ų118150.5 Ų150.563%0.63181%0.812SS**  trans-40.9139172.316675.7000118.4
319N27.1Very low33.3Very low148 Ų148153 Ų15379%0.79182%0.819SS**  -158.1159.1116.9-124.4-14.6000116
320Q36.1Very low33.5Very low157 Ų157147.4 Ų147.473%0.73480%0.803SS**  trans-91.9146.7-174.6-58.8167.1-2200112.5
321I31.5Very low34.4Very low164 Ų164149.2 Ų149.284%0.84181%0.809SS**  trans-134.2119.8153.5-63-177000108.6
322Q32.4Very low35Very low167 Ų167149.1 Ų149.178%0.7880%0.802SS**  trans-71.2146.1172.2-65.9172.4-26.100110.7
323R31.2Very low35.7Very low230 Ų230144.3 Ų144.387%0.86879%0.787SS**  trans-122.991151.6-70.2-166.2-171.7-172.55108.9
324S32.2Very low36.1Very low89 Ų89143 Ų14362%0.62278%0.776SS**  trans-70.4135.316538.80000109.8
325F31.5Very low36.5Very low194 Ų194141.3 Ų141.385%0.85176%0.763SS**  trans-128.5108.2157.8-89.3-78.7000107.6
326N29.9Very low36.5Very low161 Ų161139 Ų13986%0.86176%0.755SS**  trans-78.1133.2174-70.88000108.9
327G32.7Very low36.9Very low71 Ų71136.6 Ų136.673%0.73274%0.741SS**  trans156.871.9169.100000115.8
328L37.2Very low37.5Very low175 Ų175131.3 Ų131.392%0.91673%0.726SS**  trans171.9121.5130.2-92.6170.2000109.4G330L328-G330 PolarHBondContact O-N 3.43Å
329N40.3Very low38.1Very low178 Ų178132.7 Ų132.795%0.95273%0.73SS**  trans-83.1109.8179-71.2-9.4000110.3
330G36.3Very low39Very low55 Ų55135.4 Ų135.457%0.56773%0.73SS**  trans-150.2120.3171.600000110.6L328 D332L328-G330 PolarHBondContact O-N 3.43Å; G330-D332 PolarHBondContact O-N 2.82Å
331T52.8Low39.2Very low150 Ų150132.1 Ų132.192%0.9272%0.723SS**THydrogen-bonded Turntrans-78.622.5-164.8520000115.5
332D46.5Very low39.9Very low130 Ų130132.3 Ų132.370%0.69572%0.72SS**THydrogen-bonded Turntrans-110.1-20.5-175.1-151.829.1000113.1G330 H334 V335G330-D332 PolarHBondContact O-N 2.82Å; D332-H334 PolarHBondContact O-N 3.16Å; D332-V335 PolarHBondContact O-N 2.8Å
333A43.3Very low40.7Very low71 Ų71131.6 Ų131.659%0.58772%0.721SS**Hα-helixtrans-60.8-39.2-177.800000113.8V335 A336 E337A333-V335 VanDerWaalsContact C-N 3.31Å; A333-V335 PolarHBondContact O-N 3.14Å; A333-A336 PolarHBondContact O-N 2.83Å; A333-E337 PolarHBondContact O-N 3.19Å
334H43.8Very low41.5Very low136 Ų136128.3 Ų128.363%0.6372%0.72SS**Hα-helixtrans-71.6-19.1-175.6-75-50.7000114.8D332 E337 S338D332-H334 PolarHBondContact O-N 3.16Å; H334-E337 IonicContact ND1-OE2 2.97Å; H334-S338 WeakPolarHBondContact O-CB 3.37Å; H334-S338 PolarHBondContact O-N 3.28Å; H334-S338 VanDerWaalsContact O-N 3.16Å; H334-S338 PolarHBondContact O-OG 2.88Å
335V44.7Very low42.2Very low82 Ų82132 Ų13250%0.49773%0.725SS.*Hα-helixtrans-73.1-42.5175.7-175.90000110.1D332 A333 M339D332-V335 PolarHBondContact O-N 2.8Å; A333-V335 VanDerWaalsContact C-N 3.31Å; A333-V335 PolarHBondContact O-N 3.14Å; V335-M339 HydrophobicContact CG1-CE 4.13Å
336A43Very low43.1Very low70 Ų70126.1 Ų126.158%0.57970%0.703SS**Hα-helixtrans-66.2-36.4177.200000112.7A333A333-A336 PolarHBondContact O-N 2.83Å
337E42.6Very low44.1Very low125 Ų125122.2 Ų122.258%0.58469%0.686SS**Hα-helixtrans-72-43.3179.5-168.1166.7-140.800112.1A333 H334 M339 R340A333-E337 PolarHBondContact O-N 3.19Å; H334-E337 IonicContact ND1-OE2 2.97Å; E337-M339 PolarHBondContact O-N 3.44Å; E337-M339 VanDerWaalsContact O-N 3.14Å; E337-R340 PolarHBondContact O-N 3.11Å
338S42.9Very low45.1Very low86 Ų86125.5 Ų125.560%0.60169%0.687SS**Hα-helixtrans-61.3-24.6178.8-62.60000113.6H334H334-S338 WeakPolarHBondContact O-CB 3.37Å; H334-S338 PolarHBondContact O-N 3.28Å; H334-S338 VanDerWaalsContact O-N 3.16Å; H334-S338 PolarHBondContact O-OG 2.88Å
339M42Very low45.9Very low148 Ų148122.4 Ų122.473%0.72968%0.675SS**THydrogen-bonded Turntrans-83.5-7.4176.8-65-164.2-169.300114.5V335 E337V335-M339 HydrophobicContact CG1-CE 4.13Å; E337-M339 PolarHBondContact O-N 3.44Å; E337-M339 VanDerWaalsContact O-N 3.14Å
340R46.2Very low46.5Very low205 Ų205115.4 Ų115.477%0.77464%0.643SS**THydrogen-bonded Turntrans-82.6-14.1177-79.9-171169.4-115.20.5114.6E337 H342E337-R340 PolarHBondContact O-N 3.11Å; R340-H342 PolarHBondContact O-N 2.89Å
341C41.1Very low47Very low88 Ų88119.6 Ų119.660%0.59566%0.659SS**THydrogen-bonded Turntrans-89.28.3-168.9-63.20000116.1
342H45.6Very low47Very low168 Ų168114.3 Ų114.378%0.77864%0.635SS**THydrogen-bonded Turntrans-112.82.4-175.5-77.4-46.4000116.3R340R340-H342 PolarHBondContact O-N 2.89Å
343L48.5Very low47.4Very low152 Ų152111 Ų11180%0.79662%0.62SS**  trans-133.485.3168.5-70175.5000109.8F345L343-F345 VanDerWaalsContact C-N 3.29Å; L343-F345 PolarHBondContact O-N 3.15Å
344N48Very low47.8Very low160 Ų160109 Ų10986%0.85661%0.606SS**  trans-67.886172.8-75.2-25.7000110.1
345F47.2Very low48.4Very low168 Ų168112.4 Ų112.474%0.73761%0.613SS**  trans-107.4107.1173.2-128-84.5000109.2L343 P347L343-F345 VanDerWaalsContact C-N 3.29Å; L343-F345 PolarHBondContact O-N 3.15Å; F345-P347 WeakPolarHBondContact O-CD 3.38Å
346D51.5Low48.9Very low69 Ų69113.1 Ų113.137%0.36962%0.618SS.*  trans-76118.7171.7164.941.1000109.6N348 T349D346-N348 PolarHBondContact O-N 3.45Å; D346-N348 WeakPolarHBondContact OD1-CB 3.42Å; D346-N348 PolarHBondContact OD1-N 3.14Å; D346-N348 PolarHBondContact OD1-ND2 3.25Å; D346-T349 PolarHBondContact O-N 3.04Å; D346-T349 WeakPolarHBondContact OD2-CB 3.46Å; D346-T349 PolarHBondContact OD2-N 3.36Å; D346-T349 VanDerWaalsContact OD2-N 3.08Å; D346-T349 PolarHBondContact OD2-OG1 3.26Å
347P50Low49.5Very low79 Ų79116.5 Ų116.551%0.51362%0.616SS.*THydrogen-bonded Turntrans-65.9-16.7-179.927.6-35.2000113.5F345F345-P347 WeakPolarHBondContact O-CD 3.38Å
348N54.3Low50Low140 Ų140115.3 Ų115.375%0.74961%0.614SS**THydrogen-bonded Turntrans-81.4-18.5179-53.4-80.1000113.2D346 A350D346-N348 PolarHBondContact O-N 3.45Å; D346-N348 WeakPolarHBondContact OD1-CB 3.42Å; D346-N348 PolarHBondContact OD1-N 3.14Å; D346-N348 PolarHBondContact OD1-ND2 3.25Å; N348-A350 VanDerWaalsContact C-N 3.32Å; N348-A350 PolarHBondContact O-N 2.87Å
349T54.1Low50.6Low110 Ų110114.8 Ų114.868%0.67561%0.61SS**SBendtrans-76.2-11.9-173.2-74.50000114.1D346D346-T349 PolarHBondContact O-N 3.04Å; D346-T349 WeakPolarHBondContact OD2-CB 3.46Å; D346-T349 PolarHBondContact OD2-N 3.36Å; D346-T349 VanDerWaalsContact OD2-N 3.08Å; D346-T349 PolarHBondContact OD2-OG1 3.26Å
350A52.1Low51.1Low32 Ų32112.4 Ų112.426%0.26460%0.604SS.*SBendtrans-129.2103.5-173.500000113.8N348 G352 V353N348-A350 VanDerWaalsContact C-N 3.32Å; N348-A350 PolarHBondContact O-N 2.87Å; A350-G352 PolarHBondContact O-N 3.34Å; A350-G352 VanDerWaalsContact O-N 3.08Å; A350-V353 HydrophobicContact CB-CB 4.1Å; A350-V353 HydrophobicContact CB-CG2 3.5Å; A350-V353 VanDerWaalsContact CB-CG2 3.5Å; A350-V353 PolarHBondContact O-N 3.11Å; A350-V353 VanDerWaalsContact O-N 3.11Å
351P47Very low51.3Low142 Ų142108.7 Ų108.792%0.92260%0.595SS**THydrogen-bonded Turntrans-65.5112.8-179.326.4-33.7000111.2
352G53.4Low51.7Low40 Ų40109.1 Ų109.141%0.41260%0.6SS.*THydrogen-bonded Turntrans120.5-28.6-176.600000113.7A350 G354 R355A350-G352 PolarHBondContact O-N 3.34Å; A350-G352 VanDerWaalsContact O-N 3.08Å; G352-G354 VanDerWaalsContact C-N 3.34Å; G352-G354 PolarHBondContact O-N 3.16Å; G352-R355 PolarHBondContact O-N 3.42Å
353V53.6Low52Low61 Ų61103.6 Ų103.637%0.3758%0.58SS.*Hα-helixtrans-65-38.8178.9174.30000111.4A350 R355 V356 Y357A350-V353 HydrophobicContact CB-CB 4.1Å; A350-V353 HydrophobicContact CB-CG2 3.5Å; A350-V353 VanDerWaalsContact CB-CG2 3.5Å; A350-V353 PolarHBondContact O-N 3.11Å; A350-V353 VanDerWaalsContact O-N 3.11Å; V353-R355 VanDerWaalsContact C-N 3.3Å; V353-R355 PolarHBondContact O-N 3.44Å; V353-V356 WeakPolarHBondContact O-CB 3.15Å; V353-V356 PolarHBondContact O-N 3.41Å; V353-Y357 PolarHBondContact O-N 2.84Å
354G52.7Low52Low29 Ų2998.6 Ų98.630%0.29957%0.565SS.*Hα-helixtrans-50.4-46.8172.800000112.7G352 V356 Y357 D358G352-G354 VanDerWaalsContact C-N 3.34Å; G352-G354 PolarHBondContact O-N 3.16Å; G354-V356 VanDerWaalsContact C-N 3.29Å; G354-V356 PolarHBondContact O-N 2.74Å; G354-Y357 CarbonylContact O-C 3.51Å; G354-Y357 PolarHBondContact O-N 2.73Å; G354-D358 WeakPolarHBondContact O-CB 3.48Å; G354-D358 PolarHBondContact O-N 3.37Å
355R56.8Low51.8Low207 Ų20796.9 Ų96.978%0.78156%0.562SS**Hα-helixtrans-62.6-33.2179.1-60.2-172.6-171.2-131.83.9113.4G352 V353 S359G352-R355 PolarHBondContact O-N 3.42Å; V353-R355 VanDerWaalsContact C-N 3.3Å; V353-R355 PolarHBondContact O-N 3.44Å; R355-S359 WeakPolarHBondContact O-CB 3.47Å; R355-S359 PolarHBondContact O-N 2.86Å
356V55.3Low51.9Low97 Ų9794 Ų9459%0.58855%0.553SS**Hα-helixtrans-71.6-41.1175-177.80000110V353 G354 S359 V360V353-V356 WeakPolarHBondContact O-CB 3.15Å; V353-V356 PolarHBondContact O-N 3.41Å; G354-V356 VanDerWaalsContact C-N 3.29Å; G354-V356 PolarHBondContact O-N 2.74Å; V356-S359 PolarHBondContact O-N 3.43Å; V356-V360 VanDerWaalsContact O-CG2 3.3Å; V356-V360 WeakPolarHBondContact O-CG2 3.4Å; V356-V360 PolarHBondContact O-N 2.86Å; V356-V360 VanDerWaalsContact O-N 3.07Å
357Y54.9Low51.8Low140 Ų14095.8 Ų95.855%0.54957%0.566SS.*Hα-helixtrans-70.6-35.8179.9-145.1-99.2000112.7V353 G354 Q361V353-Y357 PolarHBondContact O-N 2.84Å; G354-Y357 CarbonylContact O-C 3.51Å; G354-Y357 PolarHBondContact O-N 2.73Å; Y357-Q361 VanDerWaalsContact CD1-NE2 3.34Å; Y357-Q361 WeakPolarHBondContact O-CG 2.9Å; Y357-Q361 PolarHBondContact O-N 3.46Å; Y357-Q361 PolarHBondContact O-NE2 3.47Å
358D53.6Low51.9Low100 Ų10097.4 Ų97.454%0.53557%0.574SS.*Hα-helixtrans-68.1-45.3170.9-64.8-31.6000110.4G354 V360 Q361 S362G354-D358 WeakPolarHBondContact O-CB 3.48Å; G354-D358 PolarHBondContact O-N 3.37Å; D358-V360 PolarHBondContact O-N 3.2Å; D358-Q361 CarbonylContact O-C 3.57Å; D358-Q361 PolarHBondContact O-N 3.21Å; D358-S362 WeakPolarHBondContact O-CB 3.43Å; D358-S362 PolarHBondContact O-N 3.13Å; D358-S362 PolarHBondContact O-OG 3.21Å
359S54.6Low52.2Low75 Ų7593.1 Ų93.152%0.52455%0.553SS.*Hα-helixtrans-63.7-27.2178.9-172.40000113.7R355 V356 S362 S363R355-S359 WeakPolarHBondContact O-CB 3.47Å; R355-S359 PolarHBondContact O-N 2.86Å; V356-S359 PolarHBondContact O-N 3.43Å; S359-S362 WeakPolarHBondContact CA-OG 3.36Å; S359-S362 PolarHBondContact O-OG 2.83Å; S359-S363 PolarHBondContact O-N 3.37Å; S359-S363 PolarHBondContact O-OG 2.9Å
360V53.5Low53.2Low99 Ų9990.9 Ų90.960%0.654%0.541SS*.Hα-helixtrans-84.8-16.3175.61710000112.2V356 D358 S363V356-V360 VanDerWaalsContact O-CG2 3.3Å; V356-V360 WeakPolarHBondContact O-CG2 3.4Å; V356-V360 PolarHBondContact O-N 2.86Å; V356-V360 VanDerWaalsContact O-N 3.07Å; D358-V360 PolarHBondContact O-N 3.2Å; V360-S363 VanDerWaalsContact C-OG 3.26Å; V360-S363 WeakPolarHBondContact CA-OG 3.19Å; V360-S363 PolarHBondContact O-OG 3.49Å
361Q49.9Very low54.6Low126 Ų12692 Ų9259%0.58954%0.543SS*.Hα-helixtrans-96.2-26.5171.1-74.3177.296.400113.1Y357 D358 S363Y357-Q361 VanDerWaalsContact CD1-NE2 3.34Å; Y357-Q361 WeakPolarHBondContact O-CG 2.9Å; Y357-Q361 PolarHBondContact O-N 3.46Å; Y357-Q361 PolarHBondContact O-NE2 3.47Å; D358-Q361 CarbonylContact O-C 3.57Å; D358-Q361 PolarHBondContact O-N 3.21Å; Q361-S363 VanDerWaalsContact C-N 3.34Å; Q361-S363 CarbonylContact O-C 3.54Å
362S48.6Very low56.3Low98 Ų9889 Ų8969%0.68552%0.522SS*.Hα-helixtrans-73.8-27.2173.267.10000112D358 S359 G364D358-S362 WeakPolarHBondContact O-CB 3.43Å; D358-S362 PolarHBondContact O-N 3.13Å; D358-S362 PolarHBondContact O-OG 3.21Å; S359-S362 WeakPolarHBondContact CA-OG 3.36Å; S359-S362 PolarHBondContact O-OG 2.83Å; S362-G364 PolarHBondContact O-N 3Å
363S52.2Low57.7Low52 Ų5291 Ų9136%0.36452%0.52SS..SBendtrans-65.293.3150.453.80000107.9S359 V360 Q361S359-S363 PolarHBondContact O-N 3.37Å; S359-S363 PolarHBondContact O-OG 2.9Å; V360-S363 VanDerWaalsContact C-OG 3.26Å; V360-S363 WeakPolarHBondContact CA-OG 3.19Å; V360-S363 PolarHBondContact O-OG 3.49Å; Q361-S363 VanDerWaalsContact C-N 3.34Å; Q361-S363 CarbonylContact O-C 3.54Å
364G48.4Very low59.3Low47 Ų4788.2 Ų88.249%0.48550%0.504SS..  trans-51.4158.7172.900000111.4S362 M366S362-G364 PolarHBondContact O-N 3Å; G364-M366 PolarHBondContact O-N 3.37Å
365P43.4Very low60.8Low123 Ų12389.5 Ų89.580%0.79950%0.503SS*.  trans-47.8107.1-160.819.4-33.6000111.3V367P365-V367 PolarHBondContact O-N 3.38Å
366M50.3Low62.1Low109 Ų10985 Ų8554%0.53749%0.49SS..  trans-60105.8-179.8-73.3-172.672.600107.6G364 V368 N436G364-M366 PolarHBondContact O-N 3.37Å; M366-V368 HydrophobicContact CB-CG2 4.49Å; M366-V368 PolarHBondContact O-N 2.98Å; M366-N436 VanDerWaalsContact CE-O 3.3Å; M366-N436 WeakPolarHBondContact CE-O 3.18Å
367V49.9Very low63.5Low106 Ų10684.8 Ų84.864%0.64248%0.48SS*.  trans-70.986.4174-172.30000106.2P365 T369P365-V367 PolarHBondContact O-N 3.38Å; V367-T369 HydrophobicContact CG1-CG2 3.91Å; V367-T369 PolarHBondContact O-N 3.06Å
368V52.3Low65.1Low112 Ų11278.1 Ų78.168%0.67945%0.454SS*.  trans-69.776167.5-175.70000106.2M366 S370M366-V368 HydrophobicContact CB-CG2 4.49Å; M366-V368 PolarHBondContact O-N 2.98Å; V368-S370 PolarHBondContact O-N 2.83Å
369T59.5Low66.4Low51 Ų5175.3 Ų75.331%0.31345%0.445SS..  trans-55.5125.4157.853.70000105.5V367 L371 E374V367-T369 HydrophobicContact CG1-CG2 3.91Å; V367-T369 PolarHBondContact O-N 3.06Å; T369-L371 PolarHBondContact O-N 3.13Å; T369-E374 WeakPolarHBondContact CB-OE1 3.38Å; T369-E374 PolarHBondContact OG1-OE1 2.82Å
370S75.7Confident67.9Low62 Ų6280.1 Ų80.143%0.43446%0.457SS..  trans-56.1133.5179.4177.20000107.9V368 T372 E373 E374V368-S370 PolarHBondContact O-N 2.83Å; S370-T372 PolarHBondContact O-N 3.36Å; S370-E373 WeakPolarHBondContact O-CA 3.49Å; S370-E373 WeakPolarHBondContact O-CB 3.3Å; S370-E373 PolarHBondContact O-N 3.43Å; S370-E374 PolarHBondContact O-N 2.94Å
371L82.1Confident69.6Low55 Ų5577.9 Ų77.929%0.28844%0.44SS..Hα-helixtrans-47.4-34.7177.2172.164000111.6T369 E373 E374 L375 L416 F439T369-L371 PolarHBondContact O-N 3.13Å; L371-E373 PolarHBondContact O-N 3.19Å; L371-E374 PolarHBondContact O-N 3.23Å; L371-L375 HydrophobicContact CD1-CD1 4.34Å; L371-L375 HydrophobicContact CD1-CG 4.31Å; L371-L375 HydrophobicContact CG-CD1 4.12Å; L371-L375 VanDerWaalsContact O-CG 3.29Å; L371-L375 WeakPolarHBondContact O-CG 3.48Å; L371-L375 PolarHBondContact O-N 2.86Å; L371-L416 HydrophobicContact CD1-CD1 3.9Å; L371-L416 HydrophobicContact CD2-CD1 3.68Å; L371-L416 HydrophobicContact CG-CD1 4.28Å; L371-F439 HydrophobicContact CD1-CE1 4.05Å; L371-F439 HydrophobicContact CD1-CZ 3.76Å
372T81.6Confident71.5Confident80 Ų8072.7 Ų72.749%0.49142%0.42SS..Hα-helixtrans-58.2-38.9173.1-50.20000113.7S370 K376S370-T372 PolarHBondContact O-N 3.36Å; T372-K376 VanDerWaalsContact O-CG 3.29Å; T372-K376 WeakPolarHBondContact O-CG 3.44Å; T372-K376 PolarHBondContact O-N 3.15Å
373E83.5Confident73.6Confident81 Ų8169.1 Ų69.138%0.37939%0.392SS..Hα-helixtrans-74.2-36.2176.4-57.7-44.9122.200112.2S370 L371 K376 K377S370-E373 WeakPolarHBondContact O-CA 3.49Å; S370-E373 WeakPolarHBondContact O-CB 3.3Å; S370-E373 PolarHBondContact O-N 3.43Å; L371-E373 PolarHBondContact O-N 3.19Å; E373-K376 WeakPolarHBondContact O-CB 3.46Å; E373-K376 PolarHBondContact O-N 2.92Å; E373-K376 IonicContact OE1-NZ 3.77Å; E373-K376 PolarHBondContact OE1-NZ 3.09Å; E373-K376 WeakPolarHBondContact OE2-CD 3.22Å; E373-K376 IonicContact OE2-NZ 2.98Å; E373-K376 PolarHBondContact OE2-NZ 3.45Å; E373-K377 WeakPolarHBondContact O-CG 3.25Å; E373-K377 PolarHBondContact O-N 3.3Å
374E86.2Confident75.6Confident4 Ų468 Ų682%0.01938%0.38CS..Hα-helixtrans-63.5-43.8171.4-61.8-51.713300111.4T369 S370 L371 K376 K377 L378 F439 S452T369-E374 WeakPolarHBondContact CB-OE1 3.38Å; T369-E374 PolarHBondContact OG1-OE1 2.82Å; S370-E374 PolarHBondContact O-N 2.94Å; L371-E374 PolarHBondContact O-N 3.23Å; E374-K376 VanDerWaalsContact C-N 3.32Å; E374-K376 PolarHBondContact O-N 3.21Å; E374-K377 WeakPolarHBondContact O-CB 3.41Å; E374-K377 PolarHBondContact O-N 3.39Å; E374-K377 VanDerWaalsContact O-N 3.1Å; E374-K377 IonicContact OE1-NZ 3.35Å; E374-K377 PolarHBondContact OE1-NZ 2.83Å; E374-K377 WeakPolarHBondContact OE2-CD 3.36Å; E374-K377 IonicContact OE2-NZ 3.75Å; E374-K377 PolarHBondContact OE2-NZ 3.17Å; E374-L378 PolarHBondContact O-N 2.66Å; E374-F439 HydrophobicContact CB-CZ 4.49Å; E374-F439 HydrophobicContact CG-CE2 4.35Å; E374-S452 VanDerWaalsContact OE2-CB 3.22Å; E374-S452 WeakPolarHBondContact OE2-CB 3.39Å; E374-S452 PolarHBondContact OE2-OG 3.36Å
375L84.5Confident77.6Confident56 Ų5666.9 Ų66.929%0.29336%0.361SS..Hα-helixtrans-64.2-33.7174.6-66.1173.7000112.4L371 L378 A379 L417L371-L375 HydrophobicContact CD1-CD1 4.34Å; L371-L375 HydrophobicContact CD1-CG 4.31Å; L371-L375 HydrophobicContact CG-CD1 4.12Å; L371-L375 VanDerWaalsContact O-CG 3.29Å; L371-L375 WeakPolarHBondContact O-CG 3.48Å; L371-L375 PolarHBondContact O-N 2.86Å; L375-L378 HydrophobicContact CD2-CD1 3.82Å; L375-L378 WeakPolarHBondContact O-CB 3.42Å; L375-L378 PolarHBondContact O-N 2.97Å; L375-A379 PolarHBondContact O-N 3.19Å; L375-L417 HydrophobicContact CD2-CD1 4.27Å
376K83.7Confident79.9Confident113 Ų11361.3 Ų61.349%0.49133%0.326SS..Hα-helixtrans-66.6-37.8169.6-77.3162.2167.7179.20112.6T372 E373 E374 A379T372-K376 VanDerWaalsContact O-CG 3.29Å; T372-K376 WeakPolarHBondContact O-CG 3.44Å; T372-K376 PolarHBondContact O-N 3.15Å; E373-K376 WeakPolarHBondContact O-CB 3.46Å; E373-K376 PolarHBondContact O-N 2.92Å; E373-K376 IonicContact OE1-NZ 3.77Å; E373-K376 PolarHBondContact OE1-NZ 3.09Å; E373-K376 WeakPolarHBondContact OE2-CD 3.22Å; E373-K376 IonicContact OE2-NZ 2.98Å; E373-K376 PolarHBondContact OE2-NZ 3.45Å; E374-K376 VanDerWaalsContact C-N 3.32Å; E374-K376 PolarHBondContact O-N 3.21Å; K376-A379 WeakPolarHBondContact O-CB 3.32Å; K376-A379 PolarHBondContact O-N 3.19Å
377K85.8Confident81.7Confident91 Ų9158.6 Ų58.640%0.39632%0.316SS..Hα-helixtrans-62.6-42.5174.3-70.6169.4-174.2174.90111E373 E374 A379 K380E373-K377 WeakPolarHBondContact O-CG 3.25Å; E373-K377 PolarHBondContact O-N 3.3Å; E374-K377 WeakPolarHBondContact O-CB 3.41Å; E374-K377 PolarHBondContact O-N 3.39Å; E374-K377 VanDerWaalsContact O-N 3.1Å; E374-K377 IonicContact OE1-NZ 3.35Å; E374-K377 PolarHBondContact OE1-NZ 2.83Å; E374-K377 WeakPolarHBondContact OE2-CD 3.36Å; E374-K377 IonicContact OE2-NZ 3.75Å; E374-K377 PolarHBondContact OE2-NZ 3.17Å; K377-A379 PolarHBondContact O-N 3.05Å; K377-K380 WeakPolarHBondContact O-CB 3.25Å; K377-K380 PolarHBondContact O-N 3.07Å
378L87.2Confident83.7Confident0 Ų054.1 Ų54.10%029%0.289CS..Hα-helixtrans-54.4-38.5174.1-64.7-177000112.7E374 L375 K380 Q381 W383 Y384 L417 I453E374-L378 PolarHBondContact O-N 2.66Å; L375-L378 HydrophobicContact CD2-CD1 3.82Å; L375-L378 WeakPolarHBondContact O-CB 3.42Å; L375-L378 PolarHBondContact O-N 2.97Å; L378-K380 PolarHBondContact O-N 3.17Å; L378-Q381 WeakPolarHBondContact O-CB 3.49Å; L378-Q381 PolarHBondContact O-N 3Å; L378-W383 HydrophobicContact CD2-CH2 3.75Å; L378-W383 HydrophobicContact CD2-CZ3 3.97Å; L378-Y384 HydrophobicContact CB-CD1 3.76Å; L378-Y384 HydrophobicContact CB-CD2 4.16Å; L378-Y384 HydrophobicContact CB-CE1 3.88Å; L378-Y384 HydrophobicContact CB-CE2 4.27Å; L378-Y384 HydrophobicContact CB-CG 3.87Å; L378-Y384 HydrophobicContact CD1-CD2 4.08Å; L378-Y384 HydrophobicContact CD1-CE2 3.76Å; L378-Y384 WeakPolarHBondContact O-CB 3.41Å; L378-Y384 WeakPolarHBondContact O-CD1 3.39Å; L378-L417 HydrophobicContact CD1-CD1 3.63Å; L378-L417 HydrophobicContact CD1-CD2 4Å; L378-L417 HydrophobicContact CD1-CG 4.48Å; L378-I453 HydrophobicContact CD1-CD1 4.01Å; L378-I453 HydrophobicContact CD2-CB 4.04Å; L378-I453 HydrophobicContact CD2-CD1 4.32Å; L378-I453 HydrophobicContact CD2-CG2 3.88Å; L378-I453 HydrophobicContact CG-CD1 4.34Å
379A82.2Confident85.6Confident42 Ų4252 Ų5235%0.34728%0.276SS..THydrogen-bonded Turntrans-60-19.3-179.900000113.4L375 K376 K377 R492L375-A379 PolarHBondContact O-N 3.19Å; K376-A379 WeakPolarHBondContact O-CB 3.32Å; K376-A379 PolarHBondContact O-N 3.19Å; K377-A379 PolarHBondContact O-N 3.05Å; A379-R492 VanDerWaalsContact O-CZ 3.29Å; A379-R492 PolarHBondContact O-NH1 2.67Å; A379-R492 PolarHBondContact O-NH2 2.67Å
380K84.6Confident87.2Confident175 Ų17554.8 Ų54.876%0.76128%0.281SS*.THydrogen-bonded Turntrans-84.8-23.3172.2-57.1-175.2178-175.50113.5K377 L378K377-K380 WeakPolarHBondContact O-CB 3.25Å; K377-K380 PolarHBondContact O-N 3.07Å; L378-K380 PolarHBondContact O-N 3.17Å
381Q90.1Very high88.1Confident52 Ų5260 Ų6024%0.24329%0.291CS..  trans-74134.6-172.9-63.7-64.4-8.800112.6L378 W383 Y384 V454 R492L378-Q381 WeakPolarHBondContact O-CB 3.49Å; L378-Q381 PolarHBondContact O-N 3Å; Q381-W383 HydrophobicContact CB-CD2 4.05Å; Q381-W383 HydrophobicContact CB-CE3 4.4Å; Q381-W383 HydrophobicContact CB-CH2 4.29Å; Q381-W383 HydrophobicContact CB-CZ2 3.93Å; Q381-W383 HydrophobicContact CG-CH2 4.1Å; Q381-W383 HydrophobicContact CG-CZ2 3.66Å; Q381-Y384 PolarHBondContact O-N 2.81Å; Q381-V454 HydrophobicContact CG-CG2 4.28Å; Q381-R492 PolarHBondContact O-NH1 3.09Å
382G89.4Confident88.6Confident17 Ų1762 Ų6218%0.17530%0.299CS..THydrogen-bonded Turntrans-66.1-39.2-179.700000113.1Y384 S491 R492G382-Y384 PolarHBondContact O-N 3.37Å; G382-S491 CarbonylContact O-C 3.53Å; G382-S491 WeakPolarHBondContact O-CA 3.43Å; G382-R492 WeakPolarHBondContact O-CB 3.27Å; G382-R492 WeakPolarHBondContact O-CG 3.44Å; G382-R492 PolarHBondContact O-N 2.79Å
383W92.9Very high89.2Confident24 Ų2458.1 Ų58.19%0.09128%0.275CS..THydrogen-bonded Turntrans-76-3.8179.248.2-104.7000114.5L378 Q381 V407 I453 V454 I457 P489L378-W383 HydrophobicContact CD2-CH2 3.75Å; L378-W383 HydrophobicContact CD2-CZ3 3.97Å; Q381-W383 HydrophobicContact CB-CD2 4.05Å; Q381-W383 HydrophobicContact CB-CE3 4.4Å; Q381-W383 HydrophobicContact CB-CH2 4.29Å; Q381-W383 HydrophobicContact CB-CZ2 3.93Å; Q381-W383 HydrophobicContact CG-CH2 4.1Å; Q381-W383 HydrophobicContact CG-CZ2 3.66Å; W383-V407 HydrophobicContact CE3-CB 3.73Å; W383-V407 HydrophobicContact CE3-CG2 3.61Å; W383-V407 HydrophobicContact CZ3-CB 3.72Å; W383-V407 HydrophobicContact CZ3-CG1 4.33Å; W383-V407 HydrophobicContact CZ3-CG2 3.57Å; W383-V407 PolarHBondContact O-N 3.25Å; W383-I453 HydrophobicContact CH2-CG2 4.49Å; W383-V454 HydrophobicContact CZ2-CG2 4.34Å; W383-I457 HydrophobicContact CH2-CB 4.42Å; W383-I457 HydrophobicContact CH2-CG1 3.92Å; W383-I457 HydrophobicContact CZ2-CB 4.32Å; W383-I457 HydrophobicContact CZ2-CG1 4.31Å; W383-I457 HydrophobicContact CZ2-CG2 4.33Å; W383-I457 HydrophobicContact CZ3-CG1 4.18Å; W383-P489 HydrophobicContact CB-CB 3.94Å; W383-P489 HydrophobicContact CG-CB 4.37Å
384Y93.9Very high89.8Confident28 Ų2856.5 Ų56.511%0.1127%0.268CS..BIsolated β-bridgetrans-94.5107.7177.2178.4-114000111.3L378 Q381 G382 V407 D409 L417 R492L378-Y384 HydrophobicContact CB-CD1 3.76Å; L378-Y384 HydrophobicContact CB-CD2 4.16Å; L378-Y384 HydrophobicContact CB-CE1 3.88Å; L378-Y384 HydrophobicContact CB-CE2 4.27Å; L378-Y384 HydrophobicContact CB-CG 3.87Å; L378-Y384 HydrophobicContact CD1-CD2 4.08Å; L378-Y384 HydrophobicContact CD1-CE2 3.76Å; L378-Y384 WeakPolarHBondContact O-CB 3.41Å; L378-Y384 WeakPolarHBondContact O-CD1 3.39Å; Q381-Y384 PolarHBondContact O-N 2.81Å; G382-Y384 PolarHBondContact O-N 3.37Å; Y384-V407 WeakPolarHBondContact CA-O 3.48Å; Y384-V407 HydrophobicContact CD2-CB 4.44Å; Y384-V407 HydrophobicContact CD2-CG1 4.26Å; Y384-D409 PolarHBondContact OH-OD1 3.38Å; Y384-D409 VanDerWaalsContact OH-OD1 3.13Å; Y384-L417 HydrophobicContact CE2-CD2 3.76Å; Y384-R492 WeakPolarHBondContact O-CD 3.5Å; Y384-R492 PolarHBondContact O-NH1 2.98Å
385W91.9Very high90.1Very high23 Ų2358.7 Ų58.79%0.08729%0.291CS..  trans-87.3-8-178.1-73.669.3000113.8I388 K396 L406 V407 V490 S491 R492W385-I388 HydrophobicContact CB-CD1 3.63Å; W385-I388 HydrophobicContact CB-CG1 3.92Å; W385-I388 HydrophobicContact CB-CG2 4.3Å; W385-I388 HydrophobicContact CD2-CD1 4.32Å; W385-I388 HydrophobicContact CE3-CD1 4.43Å; W385-I388 HydrophobicContact CG-CD1 4.03Å; W385-K396 HydrophobicContact CE3-CG 4.47Å; W385-K396 HydrophobicContact CH2-CD 3.89Å; W385-K396 HydrophobicContact CH2-CG 4.04Å; W385-K396 HydrophobicContact CZ2-CG 4.37Å; W385-K396 HydrophobicContact CZ3-CD 4.07Å; W385-K396 HydrophobicContact CZ3-CG 4.1Å; W385-L406 HydrophobicContact CG-CD1 4.46Å; W385-L406 HydrophobicContact CG-CD2 4.4Å; W385-V407 PolarHBondContact N-O 3.06Å; W385-V490 HydrophobicContact CZ2-CG1 4.14Å; W385-V490 PolarHBondContact NE1-O 2.94Å; W385-S491 WeakPolarHBondContact CZ2-O 3.14Å; W385-R492 HydrophobicContact CD2-CB 3.95Å; W385-R492 HydrophobicContact CE3-CB 4.29Å; W385-R492 HydrophobicContact CG-CB 4.24Å; W385-R492 VanDerWaalsContact CZ2-CA 3.47Å; W385-R492 HydrophobicContact CZ2-CB 4.37Å
386G90.3Very high90.5Very high6 Ų659.2 Ų59.26%0.06229%0.291CS..  trans68-149.1-175.900000112.8I388 R408 D409G386-I388 PolarHBondContact O-N 3.4Å; G386-R408 WeakPolarHBondContact O-CA 3.44Å; G386-R408 WeakPolarHBondContact O-CB 3.47Å; G386-D409 WeakPolarHBondContact CA-OD1 3.04Å; G386-D409 PolarHBondContact O-N 3.31Å; G386-D409 VanDerWaalsContact O-N 3.08Å
387P89.6Confident91Very high53 Ų5353.8 Ų53.834%0.34427%0.268SS..SBendtrans-78.461.7-1720.812.4000113.9D409 Y534P387-D409 HydrophobicContact CB-CB 4.03Å; P387-D409 WeakPolarHBondContact CG-OD2 3.38Å; P387-D409 VanDerWaalsContact N-OD1 3.1Å; P387-Y534 HydrophobicContact CB-CD1 3.57Å; P387-Y534 HydrophobicContact CB-CE1 3.76Å; P387-Y534 HydrophobicContact CB-CG 4.33Å; P387-Y534 HydrophobicContact CG-CD1 3.56Å; P387-Y534 HydrophobicContact CG-CD2 4.35Å; P387-Y534 HydrophobicContact CG-CE1 3.57Å; P387-Y534 HydrophobicContact CG-CE2 4.36Å; P387-Y534 HydrophobicContact CG-CG 3.98Å
388I90.6Very high91.3Very high12 Ų1251.5 Ų51.56%0.06227%0.266CS..  trans-85.8147.4164.962.5165.8000110.7W385 G386 E392 A393 L406 R408W385-I388 HydrophobicContact CB-CD1 3.63Å; W385-I388 HydrophobicContact CB-CG1 3.92Å; W385-I388 HydrophobicContact CB-CG2 4.3Å; W385-I388 HydrophobicContact CD2-CD1 4.32Å; W385-I388 HydrophobicContact CE3-CD1 4.43Å; W385-I388 HydrophobicContact CG-CD1 4.03Å; G386-I388 PolarHBondContact O-N 3.4Å; I388-E392 HydrophobicContact CB-CB 4.23Å; I388-A393 HydrophobicContact CD1-CB 3.89Å; I388-L406 HydrophobicContact CD1-CD1 4Å; I388-R408 HydrophobicContact CD1-CB 4.32Å; I388-R408 HydrophobicContact CG1-CB 3.64Å; I388-R408 HydrophobicContact CG1-CG 4.41Å
389T92.1Very high91.3Very high66 Ų6659 Ų5941%0.40531%0.306SS..  trans-68.8163.9175.963.60000112.2W391 E392 A393T389-W391 VanDerWaalsContact C-N 3.28Å; T389-W391 PolarHBondContact O-N 2.96Å; T389-E392 VanDerWaalsContact CB-OE2 3.3Å; T389-E392 WeakPolarHBondContact CB-OE2 3.44Å; T389-E392 WeakPolarHBondContact CG2-OE2 3.45Å; T389-E392 PolarHBondContact N-OE2 2.74Å; T389-E392 PolarHBondContact O-N 3.08Å; T389-E392 WeakPolarHBondContact OG1-CG 3.41Å; T389-E392 PolarHBondContact OG1-N 3.13Å; T389-E392 PolarHBondContact OG1-OE2 3.05Å; T389-A393 PolarHBondContact O-N 3.46Å; T389-A393 VanDerWaalsContact O-N 3.11Å
390R93.5Very high91.7Very high110 Ų11058.4 Ų58.442%0.41530%0.298SS..Hα-helixtrans-52-47.4169.9-176.1-173.2164.8167.5-4111.7A393 E394 H429R390-A393 WeakPolarHBondContact O-CB 3.35Å; R390-A393 PolarHBondContact O-N 3.11Å; R390-E394 IonicContact CZ-OE1 2.88Å; R390-E394 IonicContact NE-OE1 3.74Å; R390-E394 PolarHBondContact NE-OE1 2.94Å; R390-E394 IonicContact NH2-OE1 2.6Å; R390-E394 PolarHBondContact NH2-OE1 3.11Å; R390-E394 WeakPolarHBondContact O-CG 3.39Å; R390-E394 PolarHBondContact O-N 3.13Å; R390-H429 WeakPolarHBondContact CG-NE2 3.35Å; R390-H429 PolarHBondContact NE-CD2 3.36Å; R390-H429 PolarHBondContact NE-NE2 3.22Å
391W94Very high92.1Very high173 Ų17354 Ų5466%0.65529%0.287SS*.Hα-helixtrans-69.4-35.4-174.5-51133.1000112.7T389 E394 G395T389-W391 VanDerWaalsContact C-N 3.28Å; T389-W391 PolarHBondContact O-N 2.96Å; W391-E394 VanDerWaalsContact CE3-OE2 3.31Å; W391-E394 WeakPolarHBondContact CZ3-OE2 3.3Å; W391-E394 PolarHBondContact O-N 2.97Å; W391-G395 PolarHBondContact O-N 2.81Å
392E92.8Very high92.1Very high95 Ų9555.1 Ų55.144%0.44429%0.294SS..Hα-helixtrans-63.8-42.3170.6-73.3165.5104.400111.7I388 T389 G395 K396I388-E392 HydrophobicContact CB-CB 4.23Å; T389-E392 VanDerWaalsContact CB-OE2 3.3Å; T389-E392 WeakPolarHBondContact CB-OE2 3.44Å; T389-E392 WeakPolarHBondContact CG2-OE2 3.45Å; T389-E392 PolarHBondContact N-OE2 2.74Å; T389-E392 PolarHBondContact O-N 3.08Å; T389-E392 WeakPolarHBondContact OG1-CG 3.41Å; T389-E392 PolarHBondContact OG1-N 3.13Å; T389-E392 PolarHBondContact OG1-OE2 3.05Å; E392-G395 CarbonylContact O-C 3.56Å; E392-G395 PolarHBondContact O-N 2.83Å; E392-K396 WeakPolarHBondContact O-CG 3.39Å; E392-K396 PolarHBondContact O-N 2.9Å
393A94.6Very high92.2Very high0 Ų054.5 Ų54.50%029%0.289CS..Hα-helixtrans-63.8-40.3176.200000112.6I388 T389 R390 G395 K396 L397 L406I388-A393 HydrophobicContact CD1-CB 3.89Å; T389-A393 PolarHBondContact O-N 3.46Å; T389-A393 VanDerWaalsContact O-N 3.11Å; R390-A393 WeakPolarHBondContact O-CB 3.35Å; R390-A393 PolarHBondContact O-N 3.11Å; A393-G395 VanDerWaalsContact C-N 3.34Å; A393-K396 PolarHBondContact O-N 3.35Å; A393-L397 WeakPolarHBondContact O-CB 3.16Å; A393-L397 WeakPolarHBondContact O-CG 3.48Å; A393-L397 PolarHBondContact O-N 3.36Å; A393-L397 VanDerWaalsContact O-N 3.09Å; A393-L406 HydrophobicContact CB-CD1 4.04Å; A393-L406 HydrophobicContact CB-CD2 4.48Å
394E95Very high92.2Very high47 Ų4753.4 Ų53.422%0.2228%0.284CS..Hα-helixtrans-60-44.6171-68.3-175.4-175.500111.2R390 W391 K396 L397 A398 T427 H429R390-E394 IonicContact CZ-OE1 2.88Å; R390-E394 IonicContact NE-OE1 3.74Å; R390-E394 PolarHBondContact NE-OE1 2.94Å; R390-E394 IonicContact NH2-OE1 2.6Å; R390-E394 PolarHBondContact NH2-OE1 3.11Å; R390-E394 WeakPolarHBondContact O-CG 3.39Å; R390-E394 PolarHBondContact O-N 3.13Å; W391-E394 VanDerWaalsContact CE3-OE2 3.31Å; W391-E394 WeakPolarHBondContact CZ3-OE2 3.3Å; W391-E394 PolarHBondContact O-N 2.97Å; E394-K396 PolarHBondContact O-N 3.33Å; E394-L397 PolarHBondContact O-N 2.97Å; E394-A398 WeakPolarHBondContact O-CB 3.29Å; E394-A398 PolarHBondContact O-N 3.15Å; E394-T427 HydrophobicContact CB-CG2 4.44Å; E394-T427 HydrophobicContact CG-CG2 3.83Å; E394-H429 IonicContact OE1-CD2 2.67Å; E394-H429 IonicContact OE1-NE2 2.84Å; E394-H429 PolarHBondContact OE1-NE2 2.67Å; E394-H429 VanDerWaalsContact OE1-NE2 3.11Å
395G93.6Very high92.3Very high50 Ų5052 Ų5252%0.51528%0.279SS..Hα-helixtrans-65.1-30.5175.400000114.7W391 E392 A393W391-G395 PolarHBondContact O-N 2.81Å; E392-G395 CarbonylContact O-C 3.56Å; E392-G395 PolarHBondContact O-N 2.83Å; A393-G395 VanDerWaalsContact C-N 3.34Å
396K92.4Very high92.5Very high66 Ų6651 Ų5129%0.28728%0.275SS..Hα-helixtrans-72.9-30.8172.3-68.2-47.4-178.4-1740113.2W385 E392 A393 E394 V400 L406W385-K396 HydrophobicContact CE3-CG 4.47Å; W385-K396 HydrophobicContact CH2-CD 3.89Å; W385-K396 HydrophobicContact CH2-CG 4.04Å; W385-K396 HydrophobicContact CZ2-CG 4.37Å; W385-K396 HydrophobicContact CZ3-CD 4.07Å; W385-K396 HydrophobicContact CZ3-CG 4.1Å; E392-K396 WeakPolarHBondContact O-CG 3.39Å; E392-K396 PolarHBondContact O-N 2.9Å; A393-K396 PolarHBondContact O-N 3.35Å; E394-K396 PolarHBondContact O-N 3.33Å; K396-V400 WeakPolarHBondContact O-CG2 3.3Å; K396-L406 HydrophobicContact CB-CD2 4.02Å
397L93.4Very high92.7Very high0 Ų050.7 Ų50.70%027%0.272CS..Hα-helixtrans-92.4-24.2-176.4-70.3166.1000113.4A393 E394 N399 V400 L406 S420 R422 T427 V490A393-L397 WeakPolarHBondContact O-CB 3.16Å; A393-L397 WeakPolarHBondContact O-CG 3.48Å; A393-L397 PolarHBondContact O-N 3.36Å; A393-L397 VanDerWaalsContact O-N 3.09Å; E394-L397 PolarHBondContact O-N 2.97Å; L397-N399 PolarHBondContact O-N 2.76Å; L397-V400 PolarHBondContact O-N 2.94Å; L397-L406 HydrophobicContact CD1-CD2 4.29Å; L397-L406 HydrophobicContact CD1-CG 4.33Å; L397-L406 HydrophobicContact CD2-CD2 4.45Å; L397-L406 HydrophobicContact CG-CD2 4.13Å; L397-S420 WeakPolarHBondContact CD1-O 3.46Å; L397-R422 HydrophobicContact CB-CB 4.49Å; L397-R422 WeakPolarHBondContact O-CD 3.14Å; L397-T427 HydrophobicContact CB-CG2 4.28Å; L397-T427 HydrophobicContact CD1-CG2 3.65Å; L397-V490 HydrophobicContact CD2-CG2 3.82Å
398A92.1Very high93Very high43 Ų4348.6 Ų48.636%0.35526%0.257SS..THydrogen-bonded Turntrans-51.7-35.2-173.400000115.4E394 R422E394-A398 WeakPolarHBondContact O-CB 3.29Å; E394-A398 PolarHBondContact O-N 3.15Å; A398-R422 PolarHBondContact O-NH1 3.15Å; A398-R422 VanDerWaalsContact O-NH1 3.15Å; A398-R422 PolarHBondContact O-NH2 3.43Å
399N87.6Confident93.1Very high157 Ų15750.1 Ų50.184%0.8427%0.266SS*.THydrogen-bonded Turntrans-10411.3-175.9-63.3-12.6000113.6L397L397-N399 PolarHBondContact O-N 2.76Å
400V91.3Very high93.1Very high30 Ų3048.1 Ų48.118%0.18225%0.254CS..SBendtrans-116.1142.1-172.8-1600000108.7K396 L397 S404 R422 V490K396-V400 WeakPolarHBondContact O-CG2 3.3Å; L397-V400 PolarHBondContact O-N 2.94Å; V400-S404 WeakPolarHBondContact CG1-OG 3.46Å; V400-R422 WeakPolarHBondContact O-CD 3.47Å; V400-R422 PolarHBondContact O-NH1 3.09Å; V400-V490 HydrophobicContact CG1-CG2 4.08Å
401P92.2Very high92.9Very high82 Ų8247 Ų4753%0.53226%0.263SS..  trans-51.7155.1-175.514.8-32.1000115.3S404P401-S404 WeakPolarHBondContact O-CB 3.34Å; P401-S404 PolarHBondContact O-N 3.03Å; P401-S404 VanDerWaalsContact O-N 3.13Å; P401-S404 PolarHBondContact O-OG 3.03Å
402D91.6Very high92.6Very high75 Ų7540.3 Ų40.340%0.40124%0.24SC..THydrogen-bonded Turntrans-54145.9169.7-80.7-13.9000110.9S404 R422 H424 G425D402-S404 VanDerWaalsContact C-N 3.26Å; D402-R422 WeakPolarHBondContact OD1-CG 3.18Å; D402-H424 PolarHBondContact OD1-N 2.84Å; D402-H424 WeakPolarHBondContact OD2-CA 3.09Å; D402-H424 PolarHBondContact OD2-N 3.02Å; D402-G425 PolarHBondContact OD1-N 2.83Å; D402-G425 PolarHBondContact OD2-N 3.41Å
403G90.6Very high92.3Very high5 Ų544 Ų445%0.05226%0.263CS..THydrogen-bonded Turntrans81.9-3.5-170.600000115.1R422 R485 T487 N488G403-R422 PolarHBondContact N-O 2.85Å; G403-R485 CarbonylContact C-O 3.38Å; G403-R485 WeakPolarHBondContact CA-O 3.41Å; G403-T487 PolarHBondContact O-N 3.36Å; G403-T487 PolarHBondContact O-OG1 3.15Å; G403-N488 PolarHBondContact O-N 2.9Å
404S94.1Very high92Very high0 Ų052.4 Ų52.40%030%0.295CS..EExtended strand (participates in β ladder)trans-74139.7170.3-54.90000112.2V400 P401 D402 F421 R422 N488V400-S404 WeakPolarHBondContact CG1-OG 3.46Å; P401-S404 WeakPolarHBondContact O-CB 3.34Å; P401-S404 PolarHBondContact O-N 3.03Å; P401-S404 VanDerWaalsContact O-N 3.13Å; P401-S404 PolarHBondContact O-OG 3.03Å; D402-S404 VanDerWaalsContact C-N 3.26Å; S404-F421 CarbonylContact O-C 3.54Å; S404-F421 VanDerWaalsContact O-CA 3.27Å; S404-F421 WeakPolarHBondContact O-CA 3.4Å; S404-R422 PolarHBondContact O-N 2.84Å; S404-N488 VanDerWaalsContact CA-O 3.25Å; S404-N488 WeakPolarHBondContact CA-O 3.43Å; S404-N488 WeakPolarHBondContact OG-CB 3.42Å
405F95.1Very high91.7Very high0 Ų051.9 Ų51.90%029%0.291CS..EExtended strand (participates in β ladder)trans-145.8162.4-175.272.9-88.6000113.4L419 S420 F421 I457 I461 L486 N488 P489 V490F405-L419 HydrophobicContact CB-CD1 4.15Å; F405-L419 HydrophobicContact CD2-CD1 3.7Å; F405-L419 HydrophobicContact CG-CD1 4.26Å; F405-S420 CarbonylContact C-O 3.59Å; F405-S420 VanDerWaalsContact CA-O 3.25Å; F405-S420 WeakPolarHBondContact CA-O 3.35Å; F405-F421 HydrophobicContact CB-CB 3.73Å; F405-I457 HydrophobicContact CE2-CG2 3.82Å; F405-I457 HydrophobicContact CZ-CG2 4.07Å; F405-I461 HydrophobicContact CE1-CD1 4.4Å; F405-I461 HydrophobicContact CE1-CG1 4.17Å; F405-I461 HydrophobicContact CZ-CD1 3.87Å; F405-I461 HydrophobicContact CZ-CG1 4.01Å; F405-L486 HydrophobicContact CB-CD2 3.91Å; F405-L486 HydrophobicContact CD1-CB 3.88Å; F405-L486 HydrophobicContact CD1-CD2 4.2Å; F405-L486 HydrophobicContact CE1-CB 4.06Å; F405-L486 HydrophobicContact CG-CB 4.49Å; F405-L486 HydrophobicContact CG-CD2 4.12Å; F405-N488 PolarHBondContact N-O 3.11Å; F405-P489 HydrophobicContact CE1-CB 4.1Å; F405-P489 HydrophobicContact CE2-CB 4.23Å; F405-P489 HydrophobicContact CZ-CB 3.68Å; F405-P489 HydrophobicContact CZ-CG 4.44Å; F405-V490 WeakPolarHBondContact O-CB 3.27Å; F405-V490 PolarHBondContact O-N 2.72Å
406L95.2Very high91.6Very high0 Ų053.4 Ų53.40%029%0.287CS..EExtended strand (participates in β ladder)trans-148.1157.8170.163.285.3000110.8W385 I388 A393 K396 L397 R408 S420W385-L406 HydrophobicContact CG-CD1 4.46Å; W385-L406 HydrophobicContact CG-CD2 4.4Å; I388-L406 HydrophobicContact CD1-CD1 4Å; A393-L406 HydrophobicContact CB-CD1 4.04Å; A393-L406 HydrophobicContact CB-CD2 4.48Å; K396-L406 HydrophobicContact CB-CD2 4.02Å; L397-L406 HydrophobicContact CD1-CD2 4.29Å; L397-L406 HydrophobicContact CD1-CG 4.33Å; L397-L406 HydrophobicContact CD2-CD2 4.45Å; L397-L406 HydrophobicContact CG-CD2 4.13Å; L406-R408 HydrophobicContact CD1-CB 4.19Å; L406-R408 HydrophobicContact CD1-CG 4.27Å; L406-S420 PolarHBondContact N-O 2.79Å; L406-S420 PolarHBondContact O-N 2.92Å
407V95.6Very high91.7Very high0 Ų050.5 Ų50.50%027%0.274CS..EExtended strand (participates in β ladder)trans-109.4140.7170.3-1760000109.4W383 Y384 W385 L417 L419 I432 I457W383-V407 HydrophobicContact CE3-CB 3.73Å; W383-V407 HydrophobicContact CE3-CG2 3.61Å; W383-V407 HydrophobicContact CZ3-CB 3.72Å; W383-V407 HydrophobicContact CZ3-CG1 4.33Å; W383-V407 HydrophobicContact CZ3-CG2 3.57Å; W383-V407 PolarHBondContact O-N 3.25Å; Y384-V407 WeakPolarHBondContact CA-O 3.48Å; Y384-V407 HydrophobicContact CD2-CB 4.44Å; Y384-V407 HydrophobicContact CD2-CG1 4.26Å; W385-V407 PolarHBondContact N-O 3.06Å; V407-L417 HydrophobicContact CG1-CB 4.42Å; V407-L417 HydrophobicContact CG1-CD2 4.47Å; V407-L419 HydrophobicContact CG2-CD1 3.89Å; V407-I432 HydrophobicContact CG1-CD1 4.07Å; V407-I457 HydrophobicContact CG2-CD1 3.83Å; V407-I457 HydrophobicContact CG2-CG1 4.18Å
408R95.1Very high91.7Very high9 Ų950.7 Ų50.73%0.03428%0.276CS..EExtended strand (participates in β ladder)trans-143.1169.2179.959.3171.9-17492.5-4.9110.2G386 I388 L406 S411 L417 S418 S420G386-R408 WeakPolarHBondContact O-CA 3.44Å; G386-R408 WeakPolarHBondContact O-CB 3.47Å; I388-R408 HydrophobicContact CD1-CB 4.32Å; I388-R408 HydrophobicContact CG1-CB 3.64Å; I388-R408 HydrophobicContact CG1-CG 4.41Å; L406-R408 HydrophobicContact CD1-CB 4.19Å; L406-R408 HydrophobicContact CD1-CG 4.27Å; R408-S411 PolarHBondContact NH1-OG 2.89Å; R408-L417 CarbonylContact O-C 3.57Å; R408-L417 WeakPolarHBondContact O-CA 3.46Å; R408-S418 WeakPolarHBondContact CG-O 3.34Å; R408-S418 PolarHBondContact N-O 2.85Å; R408-S418 VanDerWaalsContact N-O 3.09Å; R408-S418 PolarHBondContact O-N 2.86Å; R408-S420 PolarHBondContact NE-OG 3.23Å; R408-S420 VanDerWaalsContact NE-OG 3.12Å
409D93.3Very high91.9Very high45 Ų4548.7 Ų48.724%0.24126%0.259CS..EExtended strand (participates in β ladder)trans-63.4148.5170-57.737.6000110.4Y384 G386 P387 L416Y384-D409 PolarHBondContact OH-OD1 3.38Å; Y384-D409 VanDerWaalsContact OH-OD1 3.13Å; G386-D409 WeakPolarHBondContact CA-OD1 3.04Å; G386-D409 PolarHBondContact O-N 3.31Å; G386-D409 VanDerWaalsContact O-N 3.08Å; P387-D409 HydrophobicContact CB-CB 4.03Å; P387-D409 WeakPolarHBondContact CG-OD2 3.38Å; P387-D409 VanDerWaalsContact N-OD1 3.1Å; D409-L416 WeakPolarHBondContact CA-O 3.5Å
410S93.1Very high92.2Very high24 Ų2441.2 Ų41.217%0.16822%0.219CC..  trans-65.1155.4172.2179.80000111.1D412 Y415 L416S410-D412 PolarHBondContact OG-N 3.12Å; S410-D412 PolarHBondContact OG-O 3.29Å; S410-Y415 WeakPolarHBondContact CB-O 3.48Å; S410-Y415 WeakPolarHBondContact OG-CB 3.4Å; S410-Y415 PolarHBondContact OG-O 3.04Å; S410-L416 PolarHBondContact N-O 2.72Å
411S89.1Confident92.4Very high86 Ų8639.8 Ų39.860%0.60121%0.21SC*.SBendtrans-111.420.9170.9-41.30000111.7R408R408-S411 PolarHBondContact NH1-OG 2.89Å
412D87.3Confident92.4Very high33 Ų3338.1 Ų38.118%0.17619%0.194CC..SBendtrans-139119.4178.5-178.9-55.3000107.9S410 R414 Y415 R431S410-D412 PolarHBondContact OG-N 3.12Å; S410-D412 PolarHBondContact OG-O 3.29Å; D412-R414 PolarHBondContact O-N 3.14Å; D412-R414 IonicContact OD1-CZ 3.9Å; D412-R414 PolarHBondContact OD1-N 2.9Å; D412-R414 IonicContact OD1-NE 2.86Å; D412-R414 PolarHBondContact OD1-NE 3.02Å; D412-R414 IonicContact OD1-NH2 2.67Å; D412-R414 PolarHBondContact OD1-NH2 3.3Å; D412-R414 IonicContact OD2-CZ 3.95Å; D412-R414 IonicContact OD2-NE 3.36Å; D412-R414 IonicContact OD2-NH2 3.28Å; D412-R414 PolarHBondContact OD2-NH2 3.24Å; D412-Y415 PolarHBondContact O-N 2.9Å; D412-Y415 VanDerWaalsContact O-O 3.1Å; D412-R431 VanDerWaalsContact CB-NH2 3.31Å; D412-R431 IonicContact OD1-NH1 3.59Å; D412-R431 IonicContact OD2-CZ 2.95Å; D412-R431 IonicContact OD2-NH1 3.31Å; D412-R431 PolarHBondContact OD2-NH1 2.73Å; D412-R431 IonicContact OD2-NH2 3.79Å; D412-R431 PolarHBondContact OD2-NH2 3.34Å
413D86Confident92.3Very high171 Ų17134.8 Ų34.891%0.91418%0.176SC*.THydrogen-bonded Turntrans-59.6-15.3-165.7-48-40.1000115.1Y415D413-Y415 VanDerWaalsContact C-N 3.28Å
414R88.1Confident92.2Very high178 Ų17840.2 Ų40.267%0.67220%0.2SC*.THydrogen-bonded Turntrans-79.8-11.2178.1-61.6171.5-68.3170.4-6.2113.6D412D412-R414 PolarHBondContact O-N 3.14Å; D412-R414 IonicContact OD1-CZ 3.9Å; D412-R414 PolarHBondContact OD1-N 2.9Å; D412-R414 IonicContact OD1-NE 2.86Å; D412-R414 PolarHBondContact OD1-NE 3.02Å; D412-R414 IonicContact OD1-NH2 2.67Å; D412-R414 PolarHBondContact OD1-NH2 3.3Å; D412-R414 IonicContact OD2-CZ 3.95Å; D412-R414 IonicContact OD2-NE 3.36Å; D412-R414 IonicContact OD2-NH2 3.28Å; D412-R414 PolarHBondContact OD2-NH2 3.24Å
415Y89.6Confident91.8Very high36 Ų3642 Ų4214%0.14122%0.218CC..  trans-129.6144.6-173.7-67.9-86.1000108.9S410 D412 D413 R431 E433S410-Y415 WeakPolarHBondContact CB-O 3.48Å; S410-Y415 WeakPolarHBondContact OG-CB 3.4Å; S410-Y415 PolarHBondContact OG-O 3.04Å; D412-Y415 PolarHBondContact O-N 2.9Å; D412-Y415 VanDerWaalsContact O-O 3.1Å; D413-Y415 VanDerWaalsContact C-N 3.28Å; Y415-R431 HydrophobicContact CD1-CB 3.74Å; Y415-R431 VanDerWaalsContact CD2-CD 3.45Å; Y415-R431 HydrophobicContact CE1-CB 3.99Å; Y415-R431 HydrophobicContact CG-CB 4.05Å; Y415-R431 HydrophobicContact CG-CG 4.4Å; Y415-E433 HydrophobicContact CD1-CG 4.49Å; Y415-E433 HydrophobicContact CE1-CB 4.25Å; Y415-E433 HydrophobicContact CE1-CG 3.76Å; Y415-E433 WeakPolarHBondContact CE1-OE1 3.45Å; Y415-E433 VanDerWaalsContact CZ-OE1 3.29Å; Y415-E433 PolarHBondContact OH-OE1 2.82Å
416L91.3Very high91.5Very high82 Ų8247.4 Ų47.443%0.42924%0.242SC..SBendtrans-87.7-38.2179-61.3170.9000111.6L371 D409 S410L371-L416 HydrophobicContact CD1-CD1 3.9Å; L371-L416 HydrophobicContact CD2-CD1 3.68Å; L371-L416 HydrophobicContact CG-CD1 4.28Å; D409-L416 WeakPolarHBondContact CA-O 3.5Å; S410-L416 PolarHBondContact N-O 2.72Å
417L93.7Very high91.4Very high4 Ų448.6 Ų48.62%0.02125%0.249CC..EExtended strand (participates in β ladder)trans-135.9161.3-167.6-62.4168000112.1L375 L378 Y384 V407 R408 I432 I453L375-L417 HydrophobicContact CD2-CD1 4.27Å; L378-L417 HydrophobicContact CD1-CD1 3.63Å; L378-L417 HydrophobicContact CD1-CD2 4Å; L378-L417 HydrophobicContact CD1-CG 4.48Å; Y384-L417 HydrophobicContact CE2-CD2 3.76Å; V407-L417 HydrophobicContact CG1-CB 4.42Å; V407-L417 HydrophobicContact CG1-CD2 4.47Å; R408-L417 CarbonylContact O-C 3.57Å; R408-L417 WeakPolarHBondContact O-CA 3.46Å; L417-I432 HydrophobicContact CB-CB 4.12Å; L417-I432 HydrophobicContact CB-CD1 4.06Å; L417-I432 HydrophobicContact CB-CG1 4.39Å; L417-I432 PolarHBondContact O-N 3.26Å; L417-I432 VanDerWaalsContact O-N 3.1Å; L417-I453 HydrophobicContact CD1-CD1 3.39Å; L417-I453 HydrophobicContact CD1-CG1 4.14Å; L417-I453 HydrophobicContact CD1-CG2 4.36Å
418S94.8Very high91.2Very high5 Ų550 Ų504%0.03526%0.256CS..EExtended strand (participates in β ladder)trans-145.4129.1173.3-68.10000111.1R408 T430R408-S418 WeakPolarHBondContact CG-O 3.34Å; R408-S418 PolarHBondContact N-O 2.85Å; R408-S418 VanDerWaalsContact N-O 3.09Å; R408-S418 PolarHBondContact O-N 2.86Å; S418-T430 CarbonylContact C-O 3.48Å; S418-T430 WeakPolarHBondContact CA-O 3.42Å
419L94.8Very high91.1Very high0 Ų051.4 Ų51.40%026%0.263CS..EExtended strand (participates in β ladder)trans-73.2135.2163.6-176.874.5000108.7F405 V407 F421 H429 T430 F441 I457 L486F405-L419 HydrophobicContact CB-CD1 4.15Å; F405-L419 HydrophobicContact CD2-CD1 3.7Å; F405-L419 HydrophobicContact CG-CD1 4.26Å; V407-L419 HydrophobicContact CG2-CD1 3.89Å; L419-F421 HydrophobicContact CD2-CD1 3.69Å; L419-F421 HydrophobicContact CD2-CE1 4.18Å; L419-F421 HydrophobicContact CG-CD1 4Å; L419-H429 WeakPolarHBondContact O-CA 3.34Å; L419-T430 PolarHBondContact N-O 3.24Å; L419-T430 PolarHBondContact O-N 2.86Å; L419-F441 HydrophobicContact CB-CE1 3.82Å; L419-F441 HydrophobicContact CB-CZ 4.42Å; L419-F441 HydrophobicContact CD2-CE1 3.8Å; L419-F441 HydrophobicContact CD2-CE2 4.48Å; L419-F441 HydrophobicContact CD2-CZ 3.7Å; L419-F441 HydrophobicContact CG-CE1 4.36Å; L419-F441 HydrophobicContact CG-CZ 4.5Å; L419-I457 HydrophobicContact CD1-CD1 4.07Å; L419-L486 HydrophobicContact CD2-CD1 3.74Å; L419-L486 HydrophobicContact CD2-CD2 3.99Å
420S94.9Very high91Very high0 Ų049.8 Ų49.80%026%0.255CS..EExtended strand (participates in β ladder)trans-124.5127.7172-53.80000107.8L397 F405 L406 R408 L428 H429L397-S420 WeakPolarHBondContact CD1-O 3.46Å; F405-S420 CarbonylContact C-O 3.59Å; F405-S420 VanDerWaalsContact CA-O 3.25Å; F405-S420 WeakPolarHBondContact CA-O 3.35Å; L406-S420 PolarHBondContact N-O 2.79Å; L406-S420 PolarHBondContact O-N 2.92Å; R408-S420 PolarHBondContact NE-OG 3.23Å; R408-S420 VanDerWaalsContact NE-OG 3.12Å; S420-L428 WeakPolarHBondContact CA-O 3.4Å; S420-H429 VanDerWaalsContact CB-ND1 3.3Å; S420-H429 WeakPolarHBondContact CB-ND1 3.38Å; S420-H429 PolarHBondContact OG-ND1 3.05Å
421F94.2Very high90.9Very high0 Ų052.9 Ų52.90%026%0.263CS..EExtended strand (participates in β ladder)trans-145.3158.3-172.762.4-102.4000112.3S404 F405 L419 T427 L428 T430 V484 L486S404-F421 CarbonylContact O-C 3.54Å; S404-F421 VanDerWaalsContact O-CA 3.27Å; S404-F421 WeakPolarHBondContact O-CA 3.4Å; F405-F421 HydrophobicContact CB-CB 3.73Å; L419-F421 HydrophobicContact CD2-CD1 3.69Å; L419-F421 HydrophobicContact CD2-CE1 4.18Å; L419-F421 HydrophobicContact CG-CD1 4Å; F421-T427 CarbonylContact O-C 3.58Å; F421-T427 WeakPolarHBondContact O-CA 3.21Å; F421-L428 HydrophobicContact CD2-CB 4.07Å; F421-L428 HydrophobicContact CE2-CB 3.62Å; F421-L428 HydrophobicContact CE2-CD1 3.86Å; F421-L428 HydrophobicContact CE2-CG 4.3Å; F421-L428 HydrophobicContact CZ-CB 3.88Å; F421-L428 HydrophobicContact CZ-CD1 4.4Å; F421-L428 PolarHBondContact N-O 3.22Å; F421-L428 PolarHBondContact O-N 3.45Å; F421-T430 WeakPolarHBondContact CE1-OG1 3.32Å; F421-V484 HydrophobicContact CD2-CB 4.15Å; F421-V484 HydrophobicContact CD2-CG1 3.99Å; F421-V484 HydrophobicContact CD2-CG2 3.72Å; F421-V484 HydrophobicContact CE2-CB 3.91Å; F421-V484 HydrophobicContact CE2-CG1 3.54Å; F421-V484 HydrophobicContact CE2-CG2 4.02Å; F421-V484 HydrophobicContact CZ-CG1 3.9Å; F421-L486 HydrophobicContact CB-CD2 3.89Å; F421-L486 HydrophobicContact CD1-CD2 4.32Å; F421-L486 HydrophobicContact CG-CD2 4.16Å
422R93.1Very high91.1Very high48 Ų4849 Ų4918%0.18124%0.236CC..EExtended strand (participates in β ladder)trans-105.9134.5179.6-168.6150.3-175.8-116.93.7111.9L397 A398 V400 D402 G403 S404 G425 K426L397-R422 HydrophobicContact CB-CB 4.49Å; L397-R422 WeakPolarHBondContact O-CD 3.14Å; A398-R422 PolarHBondContact O-NH1 3.15Å; A398-R422 VanDerWaalsContact O-NH1 3.15Å; A398-R422 PolarHBondContact O-NH2 3.43Å; V400-R422 WeakPolarHBondContact O-CD 3.47Å; V400-R422 PolarHBondContact O-NH1 3.09Å; D402-R422 WeakPolarHBondContact OD1-CG 3.18Å; G403-R422 PolarHBondContact N-O 2.85Å; S404-R422 PolarHBondContact O-N 2.84Å; R422-G425 PolarHBondContact NE-O 2.96Å; R422-G425 PolarHBondContact NH2-O 3.38Å; R422-K426 CarbonylContact C-O 3.54Å; R422-K426 WeakPolarHBondContact CA-O 3.44Å
423S90Very high91.2Very high5 Ų549 Ų494%0.03524%0.235CC..EExtended strand (participates in β ladder)trans-152.2132.8178176.50000110.2G425 K426 P483S423-G425 PolarHBondContact O-N 3.29Å; S423-K426 PolarHBondContact N-O 2.94Å; S423-K426 PolarHBondContact O-N 3.48Å; S423-K426 VanDerWaalsContact O-O 3.09Å; S423-P483 PolarHBondContact OG-O 2.82Å
424H87.3Confident91.2Very high118 Ų11844.5 Ų44.555%0.54621%0.208SC..THydrogen-bonded Turntrans51.843.2-177.4-57.773.4000112.1D402 K426D402-H424 PolarHBondContact OD1-N 2.84Å; D402-H424 WeakPolarHBondContact OD2-CA 3.09Å; D402-H424 PolarHBondContact OD2-N 3.02Å; H424-K426 PolarHBondContact O-N 2.65Å; H424-K426 VanDerWaalsContact O-N 3.14Å
425G86.5Confident91Very high37 Ų3739.4 Ų39.438%0.38120%0.199SC..THydrogen-bonded Turntrans73.6-9.1-177.700000115.7D402 R422 S423D402-G425 PolarHBondContact OD1-N 2.83Å; D402-G425 PolarHBondContact OD2-N 3.41Å; R422-G425 PolarHBondContact NE-O 2.96Å; R422-G425 PolarHBondContact NH2-O 3.38Å; S423-G425 PolarHBondContact O-N 3.29Å
426K89.2Confident90.7Very high114 Ų11445 Ų4550%0.49623%0.231SC..EExtended strand (participates in β ladder)trans-102144.2-176.9-62.5173.9-173.3170.30111.4R422 S423 H424R422-K426 CarbonylContact C-O 3.54Å; R422-K426 WeakPolarHBondContact CA-O 3.44Å; S423-K426 PolarHBondContact N-O 2.94Å; S423-K426 PolarHBondContact O-N 3.48Å; S423-K426 VanDerWaalsContact O-O 3.09Å; H424-K426 PolarHBondContact O-N 2.65Å; H424-K426 VanDerWaalsContact O-N 3.14Å
427T92.6Very high90.1Very high25 Ų2542.5 Ų42.515%0.15323%0.226CC..EExtended strand (participates in β ladder)trans-85.3133.6168.8-54.90000110.3E394 L397 F421E394-T427 HydrophobicContact CB-CG2 4.44Å; E394-T427 HydrophobicContact CG-CG2 3.83Å; L397-T427 HydrophobicContact CB-CG2 4.28Å; L397-T427 HydrophobicContact CD1-CG2 3.65Å; F421-T427 CarbonylContact O-C 3.58Å; F421-T427 WeakPolarHBondContact O-CA 3.21Å
428L91.7Very high89.8Confident30 Ų3045.9 Ų45.916%0.15724%0.238CC..EExtended strand (participates in β ladder)trans-123.7160.9176.8-63.1175.7000109.3S420 F421 Y482S420-L428 WeakPolarHBondContact CA-O 3.4Å; F421-L428 HydrophobicContact CD2-CB 4.07Å; F421-L428 HydrophobicContact CE2-CB 3.62Å; F421-L428 HydrophobicContact CE2-CD1 3.86Å; F421-L428 HydrophobicContact CE2-CG 4.3Å; F421-L428 HydrophobicContact CZ-CB 3.88Å; F421-L428 HydrophobicContact CZ-CD1 4.4Å; F421-L428 PolarHBondContact N-O 3.22Å; F421-L428 PolarHBondContact O-N 3.45Å; L428-Y482 HydrophobicContact CD1-CD2 4.02Å; L428-Y482 HydrophobicContact CD1-CG 4.1Å
429H92Very high89.5Confident38 Ų3845.9 Ų45.918%0.17624%0.238CC..EExtended strand (participates in β ladder)trans-135.6143.4-179-50.7-82.5000110.8R390 E394 L419 S420R390-H429 WeakPolarHBondContact CG-NE2 3.35Å; R390-H429 PolarHBondContact NE-CD2 3.36Å; R390-H429 PolarHBondContact NE-NE2 3.22Å; E394-H429 IonicContact OE1-CD2 2.67Å; E394-H429 IonicContact OE1-NE2 2.84Å; E394-H429 PolarHBondContact OE1-NE2 2.67Å; E394-H429 VanDerWaalsContact OE1-NE2 3.11Å; L419-H429 WeakPolarHBondContact O-CA 3.34Å; S420-H429 VanDerWaalsContact CB-ND1 3.3Å; S420-H429 WeakPolarHBondContact CB-ND1 3.38Å; S420-H429 PolarHBondContact OG-ND1 3.05Å
430T91.6Very high89.2Confident11 Ų1146.8 Ų46.87%0.06724%0.244CC..EExtended strand (participates in β ladder)trans-132138.4173.9-590000108S418 L419 F421 F441 Y471 S472S418-T430 CarbonylContact C-O 3.48Å; S418-T430 WeakPolarHBondContact CA-O 3.42Å; L419-T430 PolarHBondContact N-O 3.24Å; L419-T430 PolarHBondContact O-N 2.86Å; F421-T430 WeakPolarHBondContact CE1-OG1 3.32Å; T430-F441 HydrophobicContact CG2-CB 3.91Å; T430-F441 HydrophobicContact CG2-CD1 3.83Å; T430-F441 HydrophobicContact CG2-CG 4.17Å; T430-Y471 VanDerWaalsContact CG2-O 3.27Å; T430-Y471 WeakPolarHBondContact CG2-O 3.41Å; T430-Y471 VanDerWaalsContact OG1-C 3.23Å; T430-Y471 PolarHBondContact OG1-O 3.25Å; T430-Y471 VanDerWaalsContact OG1-O 3.09Å; T430-S472 WeakPolarHBondContact OG1-CA 3.31Å; T430-S472 PolarHBondContact OG1-N 2.9Å
431R92.2Very high88.7Confident90 Ų9047.4 Ų47.434%0.3425%0.246SC..EExtended strand (participates in β ladder)trans-86145.5178.5-60-176.2-178.4-176.4-7.7108.9D412 Y415D412-R431 VanDerWaalsContact CB-NH2 3.31Å; D412-R431 IonicContact OD1-NH1 3.59Å; D412-R431 IonicContact OD2-CZ 2.95Å; D412-R431 IonicContact OD2-NH1 3.31Å; D412-R431 PolarHBondContact OD2-NH1 2.73Å; D412-R431 IonicContact OD2-NH2 3.79Å; D412-R431 PolarHBondContact OD2-NH2 3.34Å; Y415-R431 HydrophobicContact CD1-CB 3.74Å; Y415-R431 VanDerWaalsContact CD2-CD 3.45Å; Y415-R431 HydrophobicContact CE1-CB 3.99Å; Y415-R431 HydrophobicContact CG-CB 4.05Å; Y415-R431 HydrophobicContact CG-CG 4.4Å
432I91.6Very high87.9Confident5 Ų549.9 Ų49.93%0.02626%0.256CS..EExtended strand (participates in β ladder)trans-93.8117172.8-57.9177.5000106.5V407 L417 F439 S440 F441 I453 L456V407-I432 HydrophobicContact CG1-CD1 4.07Å; L417-I432 HydrophobicContact CB-CB 4.12Å; L417-I432 HydrophobicContact CB-CD1 4.06Å; L417-I432 HydrophobicContact CB-CG1 4.39Å; L417-I432 PolarHBondContact O-N 3.26Å; L417-I432 VanDerWaalsContact O-N 3.1Å; I432-F439 HydrophobicContact CG2-CB 4.22Å; I432-F439 HydrophobicContact CG2-CD1 4.13Å; I432-S440 CarbonylContact C-O 3.59Å; I432-S440 WeakPolarHBondContact CA-O 3.39Å; I432-F441 HydrophobicContact CD1-CE1 4.19Å; I432-F441 HydrophobicContact CG1-CD1 4.07Å; I432-F441 HydrophobicContact CG1-CE1 3.75Å; I432-I453 HydrophobicContact CD1-CG2 4.11Å; I432-L456 HydrophobicContact CG2-CD2 3.84Å
433E89.8Confident86.5Confident33 Ų3356.1 Ų56.115%0.15429%0.288CS..EExtended strand (participates in β ladder)trans-86.9146.8178.4-36.4-149.3103.200108Y415 F439 S440 Y442 E443Y415-E433 HydrophobicContact CD1-CG 4.49Å; Y415-E433 HydrophobicContact CE1-CB 4.25Å; Y415-E433 HydrophobicContact CE1-CG 3.76Å; Y415-E433 WeakPolarHBondContact CE1-OE1 3.45Å; Y415-E433 VanDerWaalsContact CZ-OE1 3.29Å; Y415-E433 PolarHBondContact OH-OE1 2.82Å; E433-F439 WeakPolarHBondContact O-CA 3.3Å; E433-S440 PolarHBondContact N-O 2.96Å; E433-S440 PolarHBondContact O-N 3.01Å; E433-Y442 WeakPolarHBondContact OE2-CA 3.48Å; E433-E443 WeakPolarHBondContact OE2-CB 3.27Å; E433-E443 PolarHBondContact OE2-N 3.1Å
434H87.4Confident84.8Confident76 Ų7659.2 Ų59.235%0.35230%0.301SS..EExtended strand (participates in β ladder)trans-135.8109.4179.9171.9-103.4000109.5R438 F439H434-R438 WeakPolarHBondContact CA-O 2.98Å; H434-F439 HydrophobicContact CB-CD1 3.84Å; H434-F439 HydrophobicContact CB-CE1 3.85Å; H434-F439 AromaticContact CD2-CD1 3.65Å; H434-F439 AromaticContact CD2-CE1 3.27Å; H434-F439 WeakPolarHBondContact CD2-CE1 3.4Å; H434-F439 AromaticContact CD2-CE2 3.94Å; H434-F439 AromaticContact CD2-CZ 3.44Å; H434-F439 VanDerWaalsContact CD2-CZ 3.44Å; H434-F439 WeakPolarHBondContact CD2-CZ 3.46Å; H434-F439 AromaticContact CG-CE1 3.7Å; H434-F439 AromaticContact NE2-CZ 3.97Å
435S83.3Confident83.1Confident71 Ų7159.4 Ų59.450%0.49731%0.313SS..EExtended strand (participates in β ladder)trans-134.7139.5-177.154.60000109.6G437 R438S435-G437 PolarHBondContact O-N 2.75Å; S435-R438 PolarHBondContact N-O 3.36Å; S435-R438 PolarHBondContact O-N 2.75Å; S435-R438 VanDerWaalsContact O-O 3.13Å
436N81.9Confident81.5Confident152 Ų15264.7 Ų64.781%0.81333%0.333SS*.THydrogen-bonded Turntrans50.129.8177.8-58.78.8000115.3M366M366-N436 VanDerWaalsContact CE-O 3.3Å; M366-N436 WeakPolarHBondContact CE-O 3.18Å
437G80.6Confident80Confident30 Ų3063 Ų6331%0.30933%0.332SS..THydrogen-bonded Turntrans76.619.7-176.800000114.5S435S435-G437 PolarHBondContact O-N 2.75Å
438R86.6Confident78.6Confident75 Ų7569.4 Ų69.428%0.28336%0.36SS..EExtended strand (participates in β ladder)trans-127.5149.8176-58.3-73-82.9-144.8-8.8110.3H434 S435 E448 G449 H450H434-R438 WeakPolarHBondContact CA-O 2.98Å; S435-R438 PolarHBondContact N-O 3.36Å; S435-R438 PolarHBondContact O-N 2.75Å; S435-R438 VanDerWaalsContact O-O 3.13Å; R438-E448 IonicContact NH2-OE1 3.68Å; R438-G449 PolarHBondContact NE-O 2.83Å; R438-G449 PolarHBondContact NH2-O 2.9Å; R438-H450 CarbonylContact C-O 3.49Å; R438-H450 WeakPolarHBondContact CA-O 3.38Å
439F89Confident77.8Confident6 Ų668.6 Ų68.63%0.02636%0.359CS..EExtended strand (participates in β ladder)trans-110.2140.3-178.3-61.1-84.7000111.9L371 E374 I432 E433 H434 G449 H450 T451 I453 L456L371-F439 HydrophobicContact CD1-CE1 4.05Å; L371-F439 HydrophobicContact CD1-CZ 3.76Å; E374-F439 HydrophobicContact CB-CZ 4.49Å; E374-F439 HydrophobicContact CG-CE2 4.35Å; I432-F439 HydrophobicContact CG2-CB 4.22Å; I432-F439 HydrophobicContact CG2-CD1 4.13Å; E433-F439 WeakPolarHBondContact O-CA 3.3Å; H434-F439 HydrophobicContact CB-CD1 3.84Å; H434-F439 HydrophobicContact CB-CE1 3.85Å; H434-F439 AromaticContact CD2-CD1 3.65Å; H434-F439 AromaticContact CD2-CE1 3.27Å; H434-F439 WeakPolarHBondContact CD2-CE1 3.4Å; H434-F439 AromaticContact CD2-CE2 3.94Å; H434-F439 AromaticContact CD2-CZ 3.44Å; H434-F439 VanDerWaalsContact CD2-CZ 3.44Å; H434-F439 WeakPolarHBondContact CD2-CZ 3.46Å; H434-F439 AromaticContact CG-CE1 3.7Å; H434-F439 AromaticContact NE2-CZ 3.97Å; F439-G449 CarbonylContact O-C 3.54Å; F439-G449 VanDerWaalsContact O-CA 3.27Å; F439-G449 WeakPolarHBondContact O-CA 3.25Å; F439-H450 PolarHBondContact N-O 3.1Å; F439-H450 PolarHBondContact O-N 2.95Å; F439-T451 WeakPolarHBondContact CE2-O 3.39Å; F439-I453 HydrophobicContact CB-CG1 4.27Å; F439-I453 HydrophobicContact CD1-CD1 3.96Å; F439-I453 HydrophobicContact CD1-CG1 3.43Å; F439-I453 VanDerWaalsContact CD1-CG1 3.43Å; F439-I453 HydrophobicContact CD2-CG1 3.78Å; F439-I453 HydrophobicContact CE1-CD1 3.53Å; F439-I453 HydrophobicContact CE1-CG1 3.54Å; F439-I453 HydrophobicContact CE2-CD1 4.2Å; F439-I453 HydrophobicContact CE2-CG1 3.89Å; F439-I453 HydrophobicContact CG-CD1 4.45Å; F439-I453 HydrophobicContact CG-CG1 3.55Å; F439-I453 HydrophobicContact CZ-CD1 3.66Å; F439-I453 HydrophobicContact CZ-CG1 3.77Å; F439-L456 HydrophobicContact CB-CD2 4.07Å
440S88.1Confident77.5Confident18 Ų1868.4 Ų68.413%0.12636%0.358CS..EExtended strand (participates in β ladder)trans-148.1170.2174.177.20000112.4I432 E433 Y442I432-S440 CarbonylContact C-O 3.59Å; I432-S440 WeakPolarHBondContact CA-O 3.39Å; E433-S440 PolarHBondContact N-O 2.96Å; E433-S440 PolarHBondContact O-N 3.01Å; S440-Y442 PolarHBondContact OG-N 2.86Å; S440-Y442 PolarHBondContact OG-O 2.93Å
441F85.1Confident77.2Confident13 Ų1370.6 Ų70.66%0.05737%0.371CS..SBendtrans-91.8-6.7169.2-69.2-52.9000113.9L419 T430 I432 L456 I457 S460 Y471L419-F441 HydrophobicContact CB-CE1 3.82Å; L419-F441 HydrophobicContact CB-CZ 4.42Å; L419-F441 HydrophobicContact CD2-CE1 3.8Å; L419-F441 HydrophobicContact CD2-CE2 4.48Å; L419-F441 HydrophobicContact CD2-CZ 3.7Å; L419-F441 HydrophobicContact CG-CE1 4.36Å; L419-F441 HydrophobicContact CG-CZ 4.5Å; T430-F441 HydrophobicContact CG2-CB 3.91Å; T430-F441 HydrophobicContact CG2-CD1 3.83Å; T430-F441 HydrophobicContact CG2-CG 4.17Å; I432-F441 HydrophobicContact CD1-CE1 4.19Å; I432-F441 HydrophobicContact CG1-CD1 4.07Å; I432-F441 HydrophobicContact CG1-CE1 3.75Å; F441-L456 HydrophobicContact CD1-CD2 4.49Å; F441-L456 HydrophobicContact CD2-CD1 3.88Å; F441-L456 HydrophobicContact CD2-CG 4.45Å; F441-L456 HydrophobicContact CE1-CD2 4.22Å; F441-L456 HydrophobicContact CE2-CD1 3.82Å; F441-L456 HydrophobicContact CE2-CD2 4.41Å; F441-L456 HydrophobicContact CE2-CG 4.01Å; F441-L456 HydrophobicContact CZ-CD1 4.38Å; F441-L456 HydrophobicContact CZ-CD2 4.19Å; F441-L456 HydrophobicContact CZ-CG 4.1Å; F441-I457 HydrophobicContact CZ-CD1 3.85Å; F441-S460 WeakPolarHBondContact CE2-OG 3.44Å; F441-Y471 HydrophobicContact CB-CD1 4.48Å; F441-Y471 AromaticContact CD2-CD1 3.44Å; F441-Y471 HydrophobicContact CD2-CD1 3.44Å; F441-Y471 VanDerWaalsContact CD2-CD1 3.44Å; F441-Y471 AromaticContact CD2-CE1 3.84Å; F441-Y471 HydrophobicContact CD2-CE1 3.84Å; F441-Y471 HydrophobicContact CD2-CG 4.37Å; F441-Y471 AromaticContact CE2-CD1 3.85Å; F441-Y471 HydrophobicContact CE2-CD1 3.85Å; F441-Y471 HydrophobicContact CE2-CE1 4.01Å; F441-Y471 HydrophobicContact CG-CD1 4.14Å
442Y77Confident77Confident53 Ų5366.6 Ų66.621%0.20836%0.357CS..SBendtrans-162.1138.7-175.926.4-108.8000111.2E433 S440 Q444E433-Y442 WeakPolarHBondContact OE2-CA 3.48Å; S440-Y442 PolarHBondContact OG-N 2.86Å; S440-Y442 PolarHBondContact OG-O 2.93Å; Y442-Q444 VanDerWaalsContact C-N 3.32Å; Y442-Q444 HydrophobicContact CD2-CB 4.4Å; Y442-Q444 HydrophobicContact CD2-CG 3.8Å; Y442-Q444 HydrophobicContact CE2-CG 4.49Å; Y442-Q444 HydrophobicContact CG-CG 4.45Å; Y442-Q444 PolarHBondContact O-N 2.9Å
443E62.2Low77Confident179 Ų17966.3 Ų66.384%0.83636%0.356SS*.  trans-62.886.6164.6-156167.5-141.300109.7E433E433-E443 WeakPolarHBondContact OE2-CB 3.27Å; E433-E443 PolarHBondContact OE2-N 3.1Å
444Q55.6Low77.1Confident70 Ų7065.6 Ų65.633%0.32735%0.353SS..  trans-113.7125.9168.3-75-164.7-112.900109.1Y442 D446 V447Y442-Q444 VanDerWaalsContact C-N 3.32Å; Y442-Q444 HydrophobicContact CD2-CB 4.4Å; Y442-Q444 HydrophobicContact CD2-CG 3.8Å; Y442-Q444 HydrophobicContact CE2-CG 4.49Å; Y442-Q444 HydrophobicContact CG-CG 4.45Å; Y442-Q444 PolarHBondContact O-N 2.9Å; Q444-D446 VanDerWaalsContact C-N 3.27Å; Q444-D446 PolarHBondContact O-N 3.42Å; Q444-V447 HydrophobicContact CB-CB 4.07Å; Q444-V447 HydrophobicContact CB-CG2 3.88Å
445P50.9Low77.2Confident122 Ų12264.8 Ų64.879%0.79235%0.352SS*.THydrogen-bonded Turntrans-70.9-22.7-174.727.4-33.3000113.4
446D52.1Low77.6Confident148 Ų14861.6 Ų61.679%0.79133%0.329SS*.THydrogen-bonded Turntrans-107.57-171.7-41.9-64.7000113.9Q444Q444-D446 VanDerWaalsContact C-N 3.27Å; Q444-D446 PolarHBondContact O-N 3.42Å
447V58Low78Confident78 Ų7854.4 Ų54.447%0.47329%0.29SS..SBendtrans-113.7127.8-177.7178.50000109.8Q444 G449Q444-V447 HydrophobicContact CB-CB 4.07Å; Q444-V447 HydrophobicContact CB-CG2 3.88Å; V447-G449 PolarHBondContact O-N 3.09Å
448E64.2Low78.5Confident159 Ų15957.5 Ų57.574%0.74330%0.297SS*.  trans-60.8108.2168.7-66.9-171.287.600110.2R438R438-E448 IonicContact NH2-OE1 3.68Å
449G74.9Confident78.6Confident13 Ų1357.6 Ų57.613%0.13430%0.301CS..  trans-61.3173.5158.100000110.3R438 F439 V447R438-G449 PolarHBondContact NE-O 2.83Å; R438-G449 PolarHBondContact NH2-O 2.9Å; F439-G449 CarbonylContact O-C 3.54Å; F439-G449 VanDerWaalsContact O-CA 3.27Å; F439-G449 WeakPolarHBondContact O-CA 3.25Å; V447-G449 PolarHBondContact O-N 3.09Å
450H84.5Confident78.6Confident34 Ų3457.5 Ų57.516%0.15730%0.301CS..BIsolated β-bridgetrans-107.9153.5-172.2-57.8-102.6000113.2R438 F439 S452 D455 L456 H459R438-H450 CarbonylContact C-O 3.49Å; R438-H450 WeakPolarHBondContact CA-O 3.38Å; F439-H450 PolarHBondContact N-O 3.1Å; F439-H450 PolarHBondContact O-N 2.95Å; H450-S452 WeakPolarHBondContact CB-O 2.9Å; H450-D455 HydrophobicContact CB-CB 3.97Å; H450-L456 HydrophobicContact CB-CB 4.01Å; H450-L456 VanDerWaalsContact CD2-CD1 3.44Å; H450-L456 WeakPolarHBondContact CD2-CD1 3.25Å; H450-H459 AromaticContact CE1-CD2 3.79Å; H450-H459 AromaticContact CE1-CG 3.55Å
451T85.4Confident78.7Confident57 Ų5758.6 Ų58.635%0.3530%0.304SS..SBendtrans-66.4-46.8176.218.30000113.1F439 D455F439-T451 WeakPolarHBondContact CE2-O 3.39Å; T451-D455 PolarHBondContact OG1-OD2 3.05Å
452S88.9Confident78.8Confident6 Ų664.3 Ų64.34%0.04233%0.326CS..SBendtrans-107.5155.7171.3-165.70000111.4E374 H450 V454 D455 L456E374-S452 VanDerWaalsContact OE2-CB 3.22Å; E374-S452 WeakPolarHBondContact OE2-CB 3.39Å; E374-S452 PolarHBondContact OE2-OG 3.36Å; H450-S452 WeakPolarHBondContact CB-O 2.9Å; S452-V454 PolarHBondContact O-N 3.3Å; S452-V454 PolarHBondContact OG-N 3.44Å; S452-V454 VanDerWaalsContact OG-N 3.16Å; S452-D455 VanDerWaalsContact CB-CG 3.46Å; S452-D455 VanDerWaalsContact CB-OD1 3.31Å; S452-D455 WeakPolarHBondContact CB-OD1 3.08Å; S452-D455 WeakPolarHBondContact CB-OD2 3.29Å; S452-D455 PolarHBondContact N-OD2 2.85Å; S452-D455 WeakPolarHBondContact O-CB 3.47Å; S452-D455 PolarHBondContact O-N 2.76Å; S452-L456 PolarHBondContact O-N 2.87Å
453I90.9Very high79.2Confident0 Ų063.6 Ų63.60%033%0.326CS..Hα-helixtrans-66.7-28.7164.8-60.5145000110.1L378 W383 L417 I432 F439 L456 I457L378-I453 HydrophobicContact CD1-CD1 4.01Å; L378-I453 HydrophobicContact CD2-CB 4.04Å; L378-I453 HydrophobicContact CD2-CD1 4.32Å; L378-I453 HydrophobicContact CD2-CG2 3.88Å; L378-I453 HydrophobicContact CG-CD1 4.34Å; W383-I453 HydrophobicContact CH2-CG2 4.49Å; L417-I453 HydrophobicContact CD1-CD1 3.39Å; L417-I453 HydrophobicContact CD1-CG1 4.14Å; L417-I453 HydrophobicContact CD1-CG2 4.36Å; I432-I453 HydrophobicContact CD1-CG2 4.11Å; F439-I453 HydrophobicContact CB-CG1 4.27Å; F439-I453 HydrophobicContact CD1-CD1 3.96Å; F439-I453 HydrophobicContact CD1-CG1 3.43Å; F439-I453 VanDerWaalsContact CD1-CG1 3.43Å; F439-I453 HydrophobicContact CD2-CG1 3.78Å; F439-I453 HydrophobicContact CE1-CD1 3.53Å; F439-I453 HydrophobicContact CE1-CG1 3.54Å; F439-I453 HydrophobicContact CE2-CD1 4.2Å; F439-I453 HydrophobicContact CE2-CG1 3.89Å; F439-I453 HydrophobicContact CG-CD1 4.45Å; F439-I453 HydrophobicContact CG-CG1 3.55Å; F439-I453 HydrophobicContact CZ-CD1 3.66Å; F439-I453 HydrophobicContact CZ-CG1 3.77Å; I453-L456 PolarHBondContact O-N 3.01Å; I453-I457 HydrophobicContact CG2-CG1 4.43Å; I453-I457 WeakPolarHBondContact O-CG1 3.4Å; I453-I457 PolarHBondContact O-N 3.3Å
454V91.4Very high80.4Confident17 Ų1755.1 Ų55.110%0.10329%0.286CS..Hα-helixtrans-63.5-51.7174.6-176.80000109.5Q381 W383 S452 L456 I457 E458Q381-V454 HydrophobicContact CG-CG2 4.28Å; W383-V454 HydrophobicContact CZ2-CG2 4.34Å; S452-V454 PolarHBondContact O-N 3.3Å; S452-V454 PolarHBondContact OG-N 3.44Å; S452-V454 VanDerWaalsContact OG-N 3.16Å; V454-L456 VanDerWaalsContact C-N 3.29Å; V454-L456 PolarHBondContact O-N 2.73Å; V454-I457 PolarHBondContact O-N 2.98Å; V454-I457 VanDerWaalsContact O-N 3.11Å; V454-E458 HydrophobicContact CG1-CG 4.3Å; V454-E458 VanDerWaalsContact CG1-OE1 3.25Å; V454-E458 WeakPolarHBondContact CG1-OE1 3.42Å; V454-E458 WeakPolarHBondContact O-CG 3.25Å; V454-E458 PolarHBondContact O-N 3.11Å
455D91Very high81.7Confident60 Ų6057.5 Ų57.532%0.32130%0.297SS..Hα-helixtrans-51.8-44.8173.9-43.2-13.8000112.2H450 T451 S452 H459H450-D455 HydrophobicContact CB-CB 3.97Å; T451-D455 PolarHBondContact OG1-OD2 3.05Å; S452-D455 VanDerWaalsContact CB-CG 3.46Å; S452-D455 VanDerWaalsContact CB-OD1 3.31Å; S452-D455 WeakPolarHBondContact CB-OD1 3.08Å; S452-D455 WeakPolarHBondContact CB-OD2 3.29Å; S452-D455 PolarHBondContact N-OD2 2.85Å; S452-D455 WeakPolarHBondContact O-CB 3.47Å; S452-D455 PolarHBondContact O-N 2.76Å; D455-H459 WeakPolarHBondContact O-CB 3.42Å; D455-H459 PolarHBondContact O-N 3.28Å
456L90.9Very high83.1Confident4 Ų458.5 Ų58.52%0.02130%0.296CS..Hα-helixtrans-61.1-46.2177.9170.665.5000112I432 F439 F441 H450 S452 I453 V454 S460I432-L456 HydrophobicContact CG2-CD2 3.84Å; F439-L456 HydrophobicContact CB-CD2 4.07Å; F441-L456 HydrophobicContact CD1-CD2 4.49Å; F441-L456 HydrophobicContact CD2-CD1 3.88Å; F441-L456 HydrophobicContact CD2-CG 4.45Å; F441-L456 HydrophobicContact CE1-CD2 4.22Å; F441-L456 HydrophobicContact CE2-CD1 3.82Å; F441-L456 HydrophobicContact CE2-CD2 4.41Å; F441-L456 HydrophobicContact CE2-CG 4.01Å; F441-L456 HydrophobicContact CZ-CD1 4.38Å; F441-L456 HydrophobicContact CZ-CD2 4.19Å; F441-L456 HydrophobicContact CZ-CG 4.1Å; H450-L456 HydrophobicContact CB-CB 4.01Å; H450-L456 VanDerWaalsContact CD2-CD1 3.44Å; H450-L456 WeakPolarHBondContact CD2-CD1 3.25Å; S452-L456 PolarHBondContact O-N 2.87Å; I453-L456 PolarHBondContact O-N 3.01Å; V454-L456 VanDerWaalsContact C-N 3.29Å; V454-L456 PolarHBondContact O-N 2.73Å; L456-S460 VanDerWaalsContact O-CB 3.28Å; L456-S460 WeakPolarHBondContact O-CB 3.43Å; L456-S460 PolarHBondContact O-N 3.41Å; L456-S460 VanDerWaalsContact O-N 3.12Å; L456-S460 PolarHBondContact O-OG 3.5Å
457I91.6Very high84.4Confident0 Ų052.7 Ų52.70%027%0.271CS..Hα-helixtrans-67.2-47.7178.7-65-54.2000110.4W383 F405 V407 L419 F441 I453 V454 H459 S460 I461W383-I457 HydrophobicContact CH2-CB 4.42Å; W383-I457 HydrophobicContact CH2-CG1 3.92Å; W383-I457 HydrophobicContact CZ2-CB 4.32Å; W383-I457 HydrophobicContact CZ2-CG1 4.31Å; W383-I457 HydrophobicContact CZ2-CG2 4.33Å; W383-I457 HydrophobicContact CZ3-CG1 4.18Å; F405-I457 HydrophobicContact CE2-CG2 3.82Å; F405-I457 HydrophobicContact CZ-CG2 4.07Å; V407-I457 HydrophobicContact CG2-CD1 3.83Å; V407-I457 HydrophobicContact CG2-CG1 4.18Å; L419-I457 HydrophobicContact CD1-CD1 4.07Å; F441-I457 HydrophobicContact CZ-CD1 3.85Å; I453-I457 HydrophobicContact CG2-CG1 4.43Å; I453-I457 WeakPolarHBondContact O-CG1 3.4Å; I453-I457 PolarHBondContact O-N 3.3Å; V454-I457 PolarHBondContact O-N 2.98Å; V454-I457 VanDerWaalsContact O-N 3.11Å; I457-H459 PolarHBondContact O-N 3.16Å; I457-S460 PolarHBondContact O-N 3.49Å; I457-S460 VanDerWaalsContact O-N 3.16Å; I457-I461 HydrophobicContact CG2-CD1 3.94Å; I457-I461 HydrophobicContact CG2-CG1 4.41Å; I457-I461 VanDerWaalsContact O-CG1 3.31Å; I457-I461 WeakPolarHBondContact O-CG1 3.48Å; I457-I461 PolarHBondContact O-N 2.89Å
458E90.7Very high85.3Confident95 Ų9551.7 Ų51.744%0.44427%0.271SS..Hα-helixtrans-63.9-41.3-179.1-71.7-179.1-17000113V454 S460 I461 R462V454-E458 HydrophobicContact CG1-CG 4.3Å; V454-E458 VanDerWaalsContact CG1-OE1 3.25Å; V454-E458 WeakPolarHBondContact CG1-OE1 3.42Å; V454-E458 WeakPolarHBondContact O-CG 3.25Å; V454-E458 PolarHBondContact O-N 3.11Å; E458-S460 VanDerWaalsContact C-N 3.31Å; E458-S460 PolarHBondContact O-N 3.16Å; E458-I461 PolarHBondContact O-N 3.31Å; E458-R462 PolarHBondContact O-N 2.89Å; E458-R462 VanDerWaalsContact O-N 3.09Å
459H88.8Confident86Confident78 Ų7847.5 Ų47.536%0.36125%0.25SS..Hα-helixtrans-61.4-42.4172.9-167.593.5000111.1H450 D455 I457 I461 R462 D463H450-H459 AromaticContact CE1-CD2 3.79Å; H450-H459 AromaticContact CE1-CG 3.55Å; D455-H459 WeakPolarHBondContact O-CB 3.42Å; D455-H459 PolarHBondContact O-N 3.28Å; I457-H459 PolarHBondContact O-N 3.16Å; H459-I461 PolarHBondContact O-N 2.56Å; H459-R462 WeakPolarHBondContact O-CB 3.48Å; H459-R462 PolarHBondContact O-N 3.03Å; H459-R462 VanDerWaalsContact O-N 3.15Å; H459-D463 IonicContact CD2-OD1 3.52Å; H459-D463 IonicContact CD2-OD2 3.89Å; H459-D463 PolarHBondContact CD2-OD2 3.08Å; H459-D463 VanDerWaalsContact CD2-OD2 3.31Å; H459-D463 IonicContact NE2-OD1 3.98Å; H459-D463 IonicContact NE2-OD2 3.31Å; H459-D463 PolarHBondContact O-N 3.3Å
460S88.4Confident86.1Confident4 Ų449.2 Ų49.23%0.02826%0.26CS..Hα-helixtrans-73.1-25-179-57.40000113.8F441 L456 I457 E458 S464 Y471F441-S460 WeakPolarHBondContact CE2-OG 3.44Å; L456-S460 VanDerWaalsContact O-CB 3.28Å; L456-S460 WeakPolarHBondContact O-CB 3.43Å; L456-S460 PolarHBondContact O-N 3.41Å; L456-S460 VanDerWaalsContact O-N 3.12Å; L456-S460 PolarHBondContact O-OG 3.5Å; I457-S460 PolarHBondContact O-N 3.49Å; I457-S460 VanDerWaalsContact O-N 3.16Å; E458-S460 VanDerWaalsContact C-N 3.31Å; E458-S460 PolarHBondContact O-N 3.16Å; S460-S464 VanDerWaalsContact O-CB 3.25Å; S460-S464 WeakPolarHBondContact O-CB 3.45Å; S460-S464 PolarHBondContact O-N 2.78Å; S460-S464 VanDerWaalsContact O-N 3.15Å; S460-S464 PolarHBondContact O-OG 2.83Å; S460-Y471 PolarHBondContact O-OH 3.21Å
461I89.8Confident85.9Confident40 Ų4047.7 Ų47.721%0.20525%0.253CS..Hα-helixtrans-67-47.7166.6-65.4163.2000109.4F405 I457 E458 H459 S464 E465 L486F405-I461 HydrophobicContact CE1-CD1 4.4Å; F405-I461 HydrophobicContact CE1-CG1 4.17Å; F405-I461 HydrophobicContact CZ-CD1 3.87Å; F405-I461 HydrophobicContact CZ-CG1 4.01Å; I457-I461 HydrophobicContact CG2-CD1 3.94Å; I457-I461 HydrophobicContact CG2-CG1 4.41Å; I457-I461 VanDerWaalsContact O-CG1 3.31Å; I457-I461 WeakPolarHBondContact O-CG1 3.48Å; I457-I461 PolarHBondContact O-N 2.89Å; E458-I461 PolarHBondContact O-N 3.31Å; H459-I461 PolarHBondContact O-N 2.56Å; I461-S464 CarbonylContact O-C 3.47Å; I461-S464 VanDerWaalsContact O-CA 3.3Å; I461-S464 WeakPolarHBondContact O-CA 3.29Å; I461-S464 WeakPolarHBondContact O-CB 3.33Å; I461-S464 PolarHBondContact O-N 2.69Å; I461-E465 PolarHBondContact O-N 3.03Å; I461-L486 WeakPolarHBondContact CA-O 3.5Å; I461-L486 WeakPolarHBondContact CG1-O 3.09Å
462R88.4Confident85.4Confident133 Ų13346.4 Ų46.450%0.50225%0.246SC..Hα-helixtrans-63.8-42.1179.7-163.4-176.7-56.9131.89.3112.9E458 H459 S464 E465 N466E458-R462 PolarHBondContact O-N 2.89Å; E458-R462 VanDerWaalsContact O-N 3.09Å; H459-R462 WeakPolarHBondContact O-CB 3.48Å; H459-R462 PolarHBondContact O-N 3.03Å; H459-R462 VanDerWaalsContact O-N 3.15Å; R462-S464 PolarHBondContact O-N 2.64Å; R462-E465 VanDerWaalsContact O-CB 3.32Å; R462-E465 WeakPolarHBondContact O-CB 3.4Å; R462-E465 PolarHBondContact O-N 2.8Å; R462-N466 PolarHBondContact O-N 3.15Å
463D85.1Confident84.3Confident39 Ų3952.4 Ų52.421%0.20927%0.268CS..Hα-helixtrans-56.9-41.5169.1-74.2-20.3000110.9H459 E465 N466 G467 F469H459-D463 IonicContact CD2-OD1 3.52Å; H459-D463 IonicContact CD2-OD2 3.89Å; H459-D463 PolarHBondContact CD2-OD2 3.08Å; H459-D463 VanDerWaalsContact CD2-OD2 3.31Å; H459-D463 IonicContact NE2-OD1 3.98Å; H459-D463 IonicContact NE2-OD2 3.31Å; H459-D463 PolarHBondContact O-N 3.3Å; D463-E465 PolarHBondContact O-N 3.4Å; D463-N466 PolarHBondContact O-N 2.84Å; D463-N466 VanDerWaalsContact O-N 3.07Å; D463-G467 PolarHBondContact O-N 2.72Å; D463-F469 HydrophobicContact CB-CD1 4.43Å; D463-F469 HydrophobicContact CB-CD2 4.06Å; D463-F469 HydrophobicContact CB-CE1 4.18Å; D463-F469 HydrophobicContact CB-CE2 3.83Å; D463-F469 HydrophobicContact CB-CG 4.38Å; D463-F469 HydrophobicContact CB-CZ 3.88Å; D463-F469 WeakPolarHBondContact O-CE2 3.34Å
464S86.2Confident82.9Confident0 Ų055.8 Ų55.80%029%0.291CS..Hα-helixtrans-69.7-14177.1-64.30000114.1S460 I461 R462 G467 R485 L486S460-S464 VanDerWaalsContact O-CB 3.25Å; S460-S464 WeakPolarHBondContact O-CB 3.45Å; S460-S464 PolarHBondContact O-N 2.78Å; S460-S464 VanDerWaalsContact O-N 3.15Å; S460-S464 PolarHBondContact O-OG 2.83Å; I461-S464 CarbonylContact O-C 3.47Å; I461-S464 VanDerWaalsContact O-CA 3.3Å; I461-S464 WeakPolarHBondContact O-CA 3.29Å; I461-S464 WeakPolarHBondContact O-CB 3.33Å; I461-S464 PolarHBondContact O-N 2.69Å; R462-S464 PolarHBondContact O-N 2.64Å; S464-G467 CarbonylContact C-O 3.51Å; S464-G467 WeakPolarHBondContact CA-O 3.43Å; S464-G467 VanDerWaalsContact O-O 3.08Å; S464-R485 VanDerWaalsContact O-CZ 3.23Å; S464-R485 PolarHBondContact O-NE 3.46Å; S464-R485 PolarHBondContact O-NH2 3.14Å; S464-L486 PolarHBondContact OG-N 3.48Å
465E82.9Confident81.5Confident121 Ų12164.9 Ų64.957%0.56532%0.324SS*.Hα-helixtrans-73.8-47.3165.5-63.8167.6166.400109.5I461 R462 D463 G467 R485I461-E465 PolarHBondContact O-N 3.03Å; R462-E465 VanDerWaalsContact O-CB 3.32Å; R462-E465 WeakPolarHBondContact O-CB 3.4Å; R462-E465 PolarHBondContact O-N 2.8Å; D463-E465 PolarHBondContact O-N 3.4Å; E465-G467 PolarHBondContact O-N 3.23Å; E465-R485 PolarHBondContact O-NH2 3.12Å
466N80.8Confident80.2Confident142 Ų14267.9 Ų67.976%0.75934%0.339SS*.Hα-helixtrans-71.7-23.8-177.7-68.9-2.7000114.6R462 D463R462-N466 PolarHBondContact O-N 3.15Å; D463-N466 PolarHBondContact O-N 2.84Å; D463-N466 VanDerWaalsContact O-N 3.07Å
467G78.6Confident78.8Confident26 Ų2674 Ų7427%0.26838%0.379SS..SBendtrans-169.5-165.4-177.900000114.2D463 S464 E465D463-G467 PolarHBondContact O-N 2.72Å; S464-G467 CarbonylContact C-O 3.51Å; S464-G467 WeakPolarHBondContact CA-O 3.43Å; S464-G467 VanDerWaalsContact O-O 3.08Å; E465-G467 PolarHBondContact O-N 3.23Å
468A77.6Confident77.5Confident58 Ų5878.3 Ų78.348%0.47942%0.424SS..  trans-118121.7173.100000110P483 V484 R485A468-P483 HydrophobicContact CB-CB 3.9Å; A468-V484 CarbonylContact C-O 3.51Å; A468-V484 WeakPolarHBondContact CA-O 3.24Å; A468-R485 HydrophobicContact CB-CG 3.87Å
469F78.7Confident76.3Confident70 Ų7075.8 Ų75.831%0.30742%0.416SS..BIsolated β-bridgetrans-109.6161.9-166.5-78.4-104000111.8D463 Y471 V484D463-F469 HydrophobicContact CB-CD1 4.43Å; D463-F469 HydrophobicContact CB-CD2 4.06Å; D463-F469 HydrophobicContact CB-CE1 4.18Å; D463-F469 HydrophobicContact CB-CE2 3.83Å; D463-F469 HydrophobicContact CB-CG 4.38Å; D463-F469 HydrophobicContact CB-CZ 3.88Å; D463-F469 WeakPolarHBondContact O-CE2 3.34Å; F469-Y471 HydrophobicContact CB-CD2 4.37Å; F469-Y471 HydrophobicContact CB-CE1 4.24Å; F469-Y471 HydrophobicContact CB-CE2 3.59Å; F469-Y471 WeakPolarHBondContact CB-OH 3.45Å; F469-V484 PolarHBondContact N-O 2.83Å; F469-V484 WeakPolarHBondContact O-CG1 3.35Å; F469-V484 PolarHBondContact O-N 3Å
470C77.9Confident74.9Confident49 Ų4975.7 Ų75.733%0.33143%0.429SS..  trans-116.966.8-167.1-75.50000112.1T481C470-T481 HydrophobicContact CB-CG2 3.54Å; C470-T481 VanDerWaalsContact SG-CG2 3.59Å
471Y80.1Confident74Confident2 Ų279.2 Ų79.21%0.00845%0.45CS..  trans-68.9-35.3-178.5-53.7-70.5000112.9T430 F441 S460 F469 R473 V484 L486T430-Y471 VanDerWaalsContact CG2-O 3.27Å; T430-Y471 WeakPolarHBondContact CG2-O 3.41Å; T430-Y471 VanDerWaalsContact OG1-C 3.23Å; T430-Y471 PolarHBondContact OG1-O 3.25Å; T430-Y471 VanDerWaalsContact OG1-O 3.09Å; F441-Y471 HydrophobicContact CB-CD1 4.48Å; F441-Y471 AromaticContact CD2-CD1 3.44Å; F441-Y471 HydrophobicContact CD2-CD1 3.44Å; F441-Y471 VanDerWaalsContact CD2-CD1 3.44Å; F441-Y471 AromaticContact CD2-CE1 3.84Å; F441-Y471 HydrophobicContact CD2-CE1 3.84Å; F441-Y471 HydrophobicContact CD2-CG 4.37Å; F441-Y471 AromaticContact CE2-CD1 3.85Å; F441-Y471 HydrophobicContact CE2-CD1 3.85Å; F441-Y471 HydrophobicContact CE2-CE1 4.01Å; F441-Y471 HydrophobicContact CG-CD1 4.14Å; S460-Y471 PolarHBondContact O-OH 3.21Å; F469-Y471 HydrophobicContact CB-CD2 4.37Å; F469-Y471 HydrophobicContact CB-CE1 4.24Å; F469-Y471 HydrophobicContact CB-CE2 3.59Å; F469-Y471 WeakPolarHBondContact CB-OH 3.45Å; Y471-R473 PolarHBondContact O-N 2.94Å; Y471-R473 VanDerWaalsContact O-N 3.14Å; Y471-V484 HydrophobicContact CD2-CG1 3.65Å; Y471-V484 HydrophobicContact CE2-CG1 4.19Å; Y471-L486 HydrophobicContact CD2-CD1 3.94Å; Y471-L486 HydrophobicContact CD2-CD2 4.43Å; Y471-L486 HydrophobicContact CD2-CG 4.05Å; Y471-L486 HydrophobicContact CE2-CD1 3.64Å; Y471-L486 HydrophobicContact CE2-CG 3.69Å
472S74.4Confident73Confident30 Ų3080.9 Ų80.921%0.2146%0.455CS..  trans-83.291.9177.4-169.70000111.6T430T430-S472 WeakPolarHBondContact OG1-CA 3.31Å; T430-S472 PolarHBondContact OG1-N 2.9Å
473R67.1Low72.4Confident132 Ų13277.3 Ų77.350%0.49845%0.448SS..  trans-91.9117.4171.1-62.8-172.4-173.2174.48.2111.1Y471Y471-R473 PolarHBondContact O-N 2.94Å; Y471-R473 VanDerWaalsContact O-N 3.14Å
474S61.3Low72.3Confident71 Ų7175.7 Ų75.750%0.49744%0.44SS..  trans-71.7146.9164.7172.90000110.3L476 S479S474-L476 VanDerWaalsContact C-N 3.25Å; S474-L476 PolarHBondContact O-N 3.46Å; S474-L476 PolarHBondContact OG-N 2.87Å; S474-S479 VanDerWaalsContact CB-OG 3.24Å; S474-S479 WeakPolarHBondContact CB-OG 3.38Å; S474-S479 PolarHBondContact OG-OG 3.15Å
475R61.7Low72.2Confident208 Ų20881.3 Ų81.379%0.78546%0.461SS*.SBendtrans-80.30.5176.7-63.6-169.9179.6-137.8-3.5113.9
476L62.5Low72.5Confident124 Ų12475.6 Ų75.665%0.64944%0.435SS*.SBendtrans-97.3124.7173.2-96.568.6000111.1S474 S479S474-L476 VanDerWaalsContact C-N 3.25Å; S474-L476 PolarHBondContact O-N 3.46Å; S474-L476 PolarHBondContact OG-N 2.87Å; L476-S479 WeakPolarHBondContact CB-OG 3.25Å; L476-S479 WeakPolarHBondContact O-CB 3.48Å; L476-S479 PolarHBondContact O-N 3.3Å; L476-S479 PolarHBondContact O-OG 3.35Å
477P62.6Low72.9Confident133 Ų13371.4 Ų71.486%0.86441%0.414SS*.THydrogen-bonded Turntrans-53.1140.8168.6-25.134.7000111.9S479P477-S479 VanDerWaalsContact C-N 3.26Å; P477-S479 PolarHBondContact O-N 3.07Å
478G64Low73.5Confident90 Ų9073.6 Ų73.693%0.92842%0.42SS*.THydrogen-bonded Turntrans74.85.8-17900000115.6
479S66Low74.2Confident42 Ų4273.9 Ų73.929%0.29442%0.417SS..  trans-62.9141169.5-60.70000111S474 L476 P477 T481S474-S479 VanDerWaalsContact CB-OG 3.24Å; S474-S479 WeakPolarHBondContact CB-OG 3.38Å; S474-S479 PolarHBondContact OG-OG 3.15Å; L476-S479 WeakPolarHBondContact CB-OG 3.25Å; L476-S479 WeakPolarHBondContact O-CB 3.48Å; L476-S479 PolarHBondContact O-N 3.3Å; L476-S479 PolarHBondContact O-OG 3.35Å; P477-S479 VanDerWaalsContact C-N 3.26Å; P477-S479 PolarHBondContact O-N 3.07Å; S479-T481 PolarHBondContact O-N 2.71Å; S479-T481 VanDerWaalsContact O-N 3.08Å
480A59.6Low74.9Confident75 Ų7570.9 Ų70.962%0.6240%0.404SS*.  trans-64.4109.5174.700000111.1Y482A480-Y482 HydrophobicContact CB-CE2 4.41Å; A480-Y482 WeakPolarHBondContact O-CD2 3.37Å; A480-Y482 WeakPolarHBondContact O-CE2 3.22Å
481T69Low75.5Confident78 Ų7870.1 Ų70.148%0.47940%0.4SS..  trans-80.7121.9173-31.10000109.1C470 S479 P483C470-T481 HydrophobicContact CB-CG2 3.54Å; C470-T481 VanDerWaalsContact SG-CG2 3.59Å; S479-T481 PolarHBondContact O-N 2.71Å; S479-T481 VanDerWaalsContact O-N 3.08Å; T481-P483 WeakPolarHBondContact O-CD 3.36Å
482Y68.2Low75.8Confident76 Ų7673.1 Ų73.130%0.29841%0.411SS..  trans-90.1114.8178.1-64.9-86.9000109.4L428 A480L428-Y482 HydrophobicContact CD1-CD2 4.02Å; L428-Y482 HydrophobicContact CD1-CG 4.1Å; A480-Y482 HydrophobicContact CB-CE2 4.41Å; A480-Y482 WeakPolarHBondContact O-CD2 3.37Å; A480-Y482 WeakPolarHBondContact O-CE2 3.22Å
483P77.1Confident76.2Confident57 Ų5777.8 Ų77.837%0.3743%0.428SS..  trans-64.3142.7171.128.1-33.1000109.4S423 A468 T481S423-P483 PolarHBondContact OG-O 2.82Å; A468-P483 HydrophobicContact CB-CB 3.9Å; T481-P483 WeakPolarHBondContact O-CD 3.36Å
484V81.3Confident76.6Confident6 Ų678.2 Ų78.24%0.03644%0.437CS..BIsolated β-bridgetrans-143.5156.2177.4650000109.8F421 A468 F469 Y471F421-V484 HydrophobicContact CD2-CB 4.15Å; F421-V484 HydrophobicContact CD2-CG1 3.99Å; F421-V484 HydrophobicContact CD2-CG2 3.72Å; F421-V484 HydrophobicContact CE2-CB 3.91Å; F421-V484 HydrophobicContact CE2-CG1 3.54Å; F421-V484 HydrophobicContact CE2-CG2 4.02Å; F421-V484 HydrophobicContact CZ-CG1 3.9Å; A468-V484 CarbonylContact C-O 3.51Å; A468-V484 WeakPolarHBondContact CA-O 3.24Å; F469-V484 PolarHBondContact N-O 2.83Å; F469-V484 WeakPolarHBondContact O-CG1 3.35Å; F469-V484 PolarHBondContact O-N 3Å; Y471-V484 HydrophobicContact CD2-CG1 3.65Å; Y471-V484 HydrophobicContact CE2-CG1 4.19Å
485R85.9Confident77Confident118 Ų11879.5 Ų79.545%0.44544%0.435SS..  trans-118.8118.9171.3-53.9-178.769.4-1691.6106.8G403 S464 E465 A468 T487G403-R485 CarbonylContact C-O 3.38Å; G403-R485 WeakPolarHBondContact CA-O 3.41Å; S464-R485 VanDerWaalsContact O-CZ 3.23Å; S464-R485 PolarHBondContact O-NE 3.46Å; S464-R485 PolarHBondContact O-NH2 3.14Å; E465-R485 PolarHBondContact O-NH2 3.12Å; A468-R485 HydrophobicContact CB-CG 3.87Å; R485-T487 VanDerWaalsContact C-N 3.33Å; R485-T487 HydrophobicContact CB-CG2 3.82Å; R485-T487 PolarHBondContact O-N 3.4Å
486L89.2Confident77.8Confident0 Ų075.8 Ų75.80%044%0.435CS..  trans-78.783.3175.5-60.1179.1000108.9F405 L419 F421 I461 S464 Y471F405-L486 HydrophobicContact CB-CD2 3.91Å; F405-L486 HydrophobicContact CD1-CB 3.88Å; F405-L486 HydrophobicContact CD1-CD2 4.2Å; F405-L486 HydrophobicContact CE1-CB 4.06Å; F405-L486 HydrophobicContact CG-CB 4.49Å; F405-L486 HydrophobicContact CG-CD2 4.12Å; L419-L486 HydrophobicContact CD2-CD1 3.74Å; L419-L486 HydrophobicContact CD2-CD2 3.99Å; F421-L486 HydrophobicContact CB-CD2 3.89Å; F421-L486 HydrophobicContact CD1-CD2 4.32Å; F421-L486 HydrophobicContact CG-CD2 4.16Å; I461-L486 WeakPolarHBondContact CA-O 3.5Å; I461-L486 WeakPolarHBondContact CG1-O 3.09Å; S464-L486 PolarHBondContact OG-N 3.48Å; Y471-L486 HydrophobicContact CD2-CD1 3.94Å; Y471-L486 HydrophobicContact CD2-CD2 4.43Å; Y471-L486 HydrophobicContact CD2-CG 4.05Å; Y471-L486 HydrophobicContact CE2-CD1 3.64Å; Y471-L486 HydrophobicContact CE2-CG 3.69Å
487T88.3Confident78.7Confident54 Ų5474.6 Ų74.633%0.33142%0.422SS..  trans-102.1-38.4-173.651.10000113.1G403 R485 P489G403-T487 PolarHBondContact O-N 3.36Å; G403-T487 PolarHBondContact O-OG1 3.15Å; R485-T487 VanDerWaalsContact C-N 3.33Å; R485-T487 HydrophobicContact CB-CG2 3.82Å; R485-T487 PolarHBondContact O-N 3.4Å; T487-P489 VanDerWaalsContact O-CD 3.25Å; T487-P489 WeakPolarHBondContact O-CD 3.38Å
488N90.7Very high80Confident72 Ų7271.6 Ų71.639%0.38540%0.404SS..EExtended strand (participates in β ladder)trans-117.592-163-67.4-42000111.5G403 S404 F405 V490G403-N488 PolarHBondContact O-N 2.9Å; S404-N488 VanDerWaalsContact CA-O 3.25Å; S404-N488 WeakPolarHBondContact CA-O 3.43Å; S404-N488 WeakPolarHBondContact OG-CB 3.42Å; F405-N488 PolarHBondContact N-O 3.11Å; N488-V490 PolarHBondContact O-N 3.18Å; N488-V490 VanDerWaalsContact O-N 3.15Å
489P93Very high81.2Confident64 Ų6473.7 Ų73.742%0.41639%0.393SS..EExtended strand (participates in β ladder)trans-65.9111.1177.324-32.2000111.6W383 F405 T487 S491W383-P489 HydrophobicContact CB-CB 3.94Å; W383-P489 HydrophobicContact CG-CB 4.37Å; F405-P489 HydrophobicContact CE1-CB 4.1Å; F405-P489 HydrophobicContact CE2-CB 4.23Å; F405-P489 HydrophobicContact CZ-CB 3.68Å; F405-P489 HydrophobicContact CZ-CG 4.44Å; T487-P489 VanDerWaalsContact O-CD 3.25Å; T487-P489 WeakPolarHBondContact O-CD 3.38Å; P489-S491 PolarHBondContact O-N 3.46Å; P489-S491 VanDerWaalsContact O-N 3.15Å
490V92.8Very high82.4Confident8 Ų877.3 Ų77.35%0.04841%0.406CS..  trans-77.6103.6-179.5-177.30000109.7W385 L397 V400 F405 N488 M494W385-V490 HydrophobicContact CZ2-CG1 4.14Å; W385-V490 PolarHBondContact NE1-O 2.94Å; L397-V490 HydrophobicContact CD2-CG2 3.82Å; V400-V490 HydrophobicContact CG1-CG2 4.08Å; F405-V490 WeakPolarHBondContact O-CB 3.27Å; F405-V490 PolarHBondContact O-N 2.72Å; N488-V490 PolarHBondContact O-N 3.18Å; N488-V490 VanDerWaalsContact O-N 3.15Å; V490-M494 HydrophobicContact CG1-SD 4.13Å
491S91.1Very high83.8Confident33 Ų3375.6 Ų75.623%0.23138%0.384CS..  trans-73.2131.1-175.1178.30000112.7G382 W385 P489 F493 M494G382-S491 CarbonylContact O-C 3.53Å; G382-S491 WeakPolarHBondContact O-CA 3.43Å; W385-S491 WeakPolarHBondContact CZ2-O 3.14Å; P489-S491 PolarHBondContact O-N 3.46Å; P489-S491 VanDerWaalsContact O-N 3.15Å; S491-F493 PolarHBondContact O-N 2.81Å; S491-F493 VanDerWaalsContact O-N 3.09Å; S491-F493 WeakPolarHBondContact OG-CD2 3.36Å; S491-F493 PolarHBondContact OG-N 2.79Å; S491-M494 VanDerWaalsContact O-CB 3.3Å; S491-M494 WeakPolarHBondContact O-CB 3.37Å; S491-M494 VanDerWaalsContact O-CG 3.29Å; S491-M494 WeakPolarHBondContact O-CG 3.49Å; S491-M494 PolarHBondContact O-N 3.31Å
492R86.6Confident84.6Confident64 Ų6475.8 Ų75.824%0.24238%0.381CS..G310 helixtrans-55.9-22.9170.776.1-163-168.5176.50.4113.6A379 Q381 G382 Y384 W385 M494A379-R492 VanDerWaalsContact O-CZ 3.29Å; A379-R492 PolarHBondContact O-NH1 2.67Å; A379-R492 PolarHBondContact O-NH2 2.67Å; Q381-R492 PolarHBondContact O-NH1 3.09Å; G382-R492 WeakPolarHBondContact O-CB 3.27Å; G382-R492 WeakPolarHBondContact O-CG 3.44Å; G382-R492 PolarHBondContact O-N 2.79Å; Y384-R492 WeakPolarHBondContact O-CD 3.5Å; Y384-R492 PolarHBondContact O-NH1 2.98Å; W385-R492 HydrophobicContact CD2-CB 3.95Å; W385-R492 HydrophobicContact CE3-CB 4.29Å; W385-R492 HydrophobicContact CG-CB 4.24Å; W385-R492 VanDerWaalsContact CZ2-CA 3.47Å; W385-R492 HydrophobicContact CZ2-CB 4.37Å; R492-M494 VanDerWaalsContact C-N 3.32Å
493F81.8Confident85.6Confident129 Ų12975.1 Ų75.157%0.56639%0.387SS*.G310 helixtrans-79.6-11.9179.1-55.6-63.7000113S491 Q495S491-F493 PolarHBondContact O-N 2.81Å; S491-F493 VanDerWaalsContact O-N 3.09Å; S491-F493 WeakPolarHBondContact OG-CD2 3.36Å; S491-F493 PolarHBondContact OG-N 2.79Å; F493-Q495 PolarHBondContact O-N 3.05Å; F493-Q495 VanDerWaalsContact O-N 3.13Å
494M75.1Confident86.2Confident141 Ų14172.8 Ų72.870%0.69537%0.371SS*.G310 helixtrans-61.9-17.3173.1-66.5178.473.900113.4V490 S491 R492V490-M494 HydrophobicContact CG1-SD 4.13Å; S491-M494 VanDerWaalsContact O-CB 3.3Å; S491-M494 WeakPolarHBondContact O-CB 3.37Å; S491-M494 VanDerWaalsContact O-CG 3.29Å; S491-M494 WeakPolarHBondContact O-CG 3.49Å; S491-M494 PolarHBondContact O-N 3.31Å; R492-M494 VanDerWaalsContact C-N 3.32Å
495Q71.6Confident86.4Confident98 Ų9876.7 Ų76.746%0.45839%0.387SS..SBendtrans-123.498.4168.9-170.5175.730.600110.1F493 R497F493-Q495 PolarHBondContact O-N 3.05Å; F493-Q495 VanDerWaalsContact O-N 3.13Å; Q495-R497 PolarHBondContact O-N 3Å
496V77.1Confident86.5Confident130 Ų13074.8 Ų74.879%0.78839%0.388SS*.PPolyproline II helixtrans-54.9121.3173.2-176.90000109.3
497R81.9Confident86.5Confident98 Ų9877.2 Ų77.237%0.3740%0.401SS..PPolyproline II helixtrans-80.7154.6173.7-61.6-65.4-172.5140.44.5109.3Q495 Y501 L502Q495-R497 PolarHBondContact O-N 3Å; R497-Y501 HydrophobicContact CB-CD1 3.55Å; R497-Y501 HydrophobicContact CB-CE1 4.26Å; R497-Y501 HydrophobicContact CB-CG 4.09Å; R497-Y501 HydrophobicContact CG-CD1 3.79Å; R497-Y501 HydrophobicContact CG-CE1 3.99Å; R497-Y501 HydrophobicContact CG-CG 4.49Å; R497-L502 HydrophobicContact CB-CD2 4.37Å
498S89Confident86.4Confident70 Ų7077.7 Ų77.749%0.4940%0.397SS..PPolyproline II helixtrans-58147.6177.563.50000111.5Q500 Y501 L502S498-Q500 PolarHBondContact O-N 3.09Å; S498-Q500 VanDerWaalsContact O-N 3.15Å; S498-Y501 WeakPolarHBondContact O-CA 3.42Å; S498-Y501 WeakPolarHBondContact O-CB 3.38Å; S498-Y501 PolarHBondContact O-N 3.36Å; S498-Y501 PolarHBondContact OG-N 2.76Å; S498-L502 PolarHBondContact O-N 3.24Å; S498-L502 VanDerWaalsContact O-N 3.11Å
499L90.4Very high86Confident134 Ų13480.2 Ų80.270%0.70241%0.406SS*.Hα-helixtrans-52.7-38.5176.7-178.960.4000111.6Y501 L502 C503L499-Y501 VanDerWaalsContact C-N 3.33Å; L499-Y501 PolarHBondContact O-N 2.88Å; L499-L502 PolarHBondContact O-N 3.01Å; L499-L502 VanDerWaalsContact O-N 3.14Å; L499-C503 PolarHBondContact O-N 2.85Å; L499-C503 PolarHBondContact O-SG 2.99Å
500Q91.1Very high85.7Confident118 Ų11886.7 Ų86.755%0.55142%0.424SS*.Hα-helixtrans-56.3-41.6174-166.8-165.90.200113.2S498 R504 Y528S498-Q500 PolarHBondContact O-N 3.09Å; S498-Q500 VanDerWaalsContact O-N 3.15Å; Q500-R504 WeakPolarHBondContact O-CB 3.39Å; Q500-R504 PolarHBondContact O-N 2.83Å; Q500-Y528 HydrophobicContact CG-CD1 4.39Å; Q500-Y528 HydrophobicContact CG-CE1 3.65Å
501Y87.6Confident85.5Confident40 Ų4087.5 Ų87.516%0.15743%0.429CS..Hα-helixtrans-68.9-41.1175.6177.6-87000111.4R497 S498 L499 R504 F505 Y534R497-Y501 HydrophobicContact CB-CD1 3.55Å; R497-Y501 HydrophobicContact CB-CE1 4.26Å; R497-Y501 HydrophobicContact CB-CG 4.09Å; R497-Y501 HydrophobicContact CG-CD1 3.79Å; R497-Y501 HydrophobicContact CG-CE1 3.99Å; R497-Y501 HydrophobicContact CG-CG 4.49Å; S498-Y501 WeakPolarHBondContact O-CA 3.42Å; S498-Y501 WeakPolarHBondContact O-CB 3.38Å; S498-Y501 PolarHBondContact O-N 3.36Å; S498-Y501 PolarHBondContact OG-N 2.76Å; L499-Y501 VanDerWaalsContact C-N 3.33Å; L499-Y501 PolarHBondContact O-N 2.88Å; Y501-R504 PolarHBondContact O-N 2.74Å; Y501-F505 PolarHBondContact O-N 2.82Å; Y501-Y534 PolarHBondContact OH-OH 3.35Å
502L86.1Confident85.2Confident82 Ų8293.9 Ų93.943%0.42945%0.448SS..Hα-helixtrans-62.4-45.7177.2-61.1176.4000111.1R497 S498 L499 R504 F505 V506R497-L502 HydrophobicContact CB-CD2 4.37Å; S498-L502 PolarHBondContact O-N 3.24Å; S498-L502 VanDerWaalsContact O-N 3.11Å; L499-L502 PolarHBondContact O-N 3.01Å; L499-L502 VanDerWaalsContact O-N 3.14Å; L502-R504 PolarHBondContact O-N 2.7Å; L502-F505 WeakPolarHBondContact O-CB 3.47Å; L502-F505 PolarHBondContact O-N 3.31Å; L502-V506 WeakPolarHBondContact O-CG2 3.44Å; L502-V506 PolarHBondContact O-N 2.85Å
503C90Very high85.2Confident61 Ų6196.5 Ų96.541%0.41247%0.465SS..Hα-helixtrans-59.2-43.9172.9-63.60000111.9L499 F505 V506 I507L499-C503 PolarHBondContact O-N 2.85Å; L499-C503 PolarHBondContact O-SG 2.99Å; C503-F505 VanDerWaalsContact C-N 3.34Å; C503-F505 PolarHBondContact O-N 2.78Å; C503-V506 PolarHBondContact O-N 2.93Å; C503-I507 WeakPolarHBondContact O-CB 3.07Å; C503-I507 WeakPolarHBondContact O-CD1 3.28Å; C503-I507 WeakPolarHBondContact O-CG1 3.21Å; C503-I507 PolarHBondContact O-N 3.38Å
504R89.7Confident85.5Confident8 Ų894.9 Ų94.93%0.0346%0.462CS..Hα-helixtrans-61.6-39.1174.9161.4170.7172.5-170.11.8112.9Q500 Y501 L502 R508 Y528 L529 E531 H533Q500-R504 WeakPolarHBondContact O-CB 3.39Å; Q500-R504 PolarHBondContact O-N 2.83Å; Y501-R504 PolarHBondContact O-N 2.74Å; L502-R504 PolarHBondContact O-N 2.7Å; R504-R508 WeakPolarHBondContact O-CB 3.45Å; R504-R508 VanDerWaalsContact O-CG 3.32Å; R504-R508 WeakPolarHBondContact O-CG 3.21Å; R504-R508 PolarHBondContact O-N 2.95Å; R504-R508 VanDerWaalsContact O-N 3.13Å; R504-Y528 HydrophobicContact CB-CD1 4.25Å; R504-Y528 HydrophobicContact CB-CE1 3.66Å; R504-Y528 WeakPolarHBondContact CD-O 3.49Å; R504-Y528 HydrophobicContact CG-CE1 4.13Å; R504-Y528 PolarHBondContact NE-O 2.97Å; R504-Y528 PolarHBondContact NH1-O 3.29Å; R504-L529 HydrophobicContact CB-CD2 3.89Å; R504-L529 HydrophobicContact CG-CD2 4.01Å; R504-E531 IonicContact CZ-OE2 2.65Å; R504-E531 VanDerWaalsContact CZ-OE2 3.28Å; R504-E531 IonicContact NH1-OE2 2.94Å; R504-E531 PolarHBondContact NH1-OE2 3.07Å; R504-E531 PolarHBondContact NH2-O 3.45Å; R504-E531 IonicContact NH2-OE2 2.72Å; R504-E531 PolarHBondContact NH2-OE2 3.18Å; R504-H533 PolarHBondContact NH2-ND1 3.08Å
505F85.1Confident86.2Confident89 Ų8991.1 Ų91.139%0.3945%0.445SS..Hα-helixtrans-63-51.9175.6179-95.4000110.7Y501 L502 C503 I507 R508 Q509Y501-F505 PolarHBondContact O-N 2.82Å; L502-F505 WeakPolarHBondContact O-CB 3.47Å; L502-F505 PolarHBondContact O-N 3.31Å; C503-F505 VanDerWaalsContact C-N 3.34Å; C503-F505 PolarHBondContact O-N 2.78Å; F505-I507 PolarHBondContact O-N 3.34Å; F505-R508 PolarHBondContact O-N 2.88Å; F505-Q509 HydrophobicContact CD1-CG 4.44Å; F505-Q509 HydrophobicContact CE1-CG 4.09Å; F505-Q509 HydrophobicContact CZ-CG 4.33Å; F505-Q509 PolarHBondContact O-N 2.87Å
506V87.8Confident87.1Confident77 Ų7786.5 Ų86.547%0.46742%0.423SS..Hα-helixtrans-59-49.7178.6174.30000111.3L502 C503 R508 Q509 Y510L502-V506 WeakPolarHBondContact O-CG2 3.44Å; L502-V506 PolarHBondContact O-N 2.85Å; C503-V506 PolarHBondContact O-N 2.93Å; V506-R508 PolarHBondContact O-N 3.39Å; V506-Q509 WeakPolarHBondContact O-CB 3.43Å; V506-Q509 PolarHBondContact O-N 3.36Å; V506-Y510 HydrophobicContact CG1-CD2 4.1Å; V506-Y510 HydrophobicContact CG1-CE2 4.08Å; V506-Y510 WeakPolarHBondContact O-CD2 3.3Å; V506-Y510 PolarHBondContact O-N 3.03Å
507I89.8Confident87.6Confident51 Ų5184.5 Ų84.526%0.26241%0.405SS..Hα-helixtrans-57.5-37.4179.4-68.5163.8000111.4C503 F505 T511 L519 L529C503-I507 WeakPolarHBondContact O-CB 3.07Å; C503-I507 WeakPolarHBondContact O-CD1 3.28Å; C503-I507 WeakPolarHBondContact O-CG1 3.21Å; C503-I507 PolarHBondContact O-N 3.38Å; F505-I507 PolarHBondContact O-N 3.34Å; I507-T511 WeakPolarHBondContact O-CA 3.25Å; I507-T511 WeakPolarHBondContact O-CB 3.5Å; I507-T511 PolarHBondContact O-N 3.33Å; I507-T511 PolarHBondContact O-OG1 3.16Å; I507-T511 VanDerWaalsContact O-OG1 3.06Å; I507-L519 HydrophobicContact CG2-CD1 3.88Å; I507-L529 HydrophobicContact CB-CD2 3.97Å; I507-L529 HydrophobicContact CD1-CD1 4.41Å; I507-L529 HydrophobicContact CD1-CD2 4.16Å; I507-L529 HydrophobicContact CG2-CD1 3.95Å; I507-L529 HydrophobicContact CG2-CD2 3.81Å
508R86.8Confident88.1Confident65 Ų6587.8 Ų87.825%0.24542%0.422CS..Hα-helixtrans-72.5-21.9176.7-78.6178.9166.8-157.5-6.1114.8R504 F505 V506 L529 Q530 E531R504-R508 WeakPolarHBondContact O-CB 3.45Å; R504-R508 VanDerWaalsContact O-CG 3.32Å; R504-R508 WeakPolarHBondContact O-CG 3.21Å; R504-R508 PolarHBondContact O-N 2.95Å; R504-R508 VanDerWaalsContact O-N 3.13Å; F505-R508 PolarHBondContact O-N 2.88Å; V506-R508 PolarHBondContact O-N 3.39Å; R508-L529 PolarHBondContact NE-O 3.11Å; R508-L529 PolarHBondContact NH2-O 3.14Å; R508-Q530 VanDerWaalsContact NH2-C 3.32Å; R508-Q530 PolarHBondContact NH2-O 3.23Å; R508-E531 PolarHBondContact NH2-O 3.08Å
509Q82.2Confident88.2Confident124 Ų12486.2 Ų86.258%0.57941%0.408SS*.Hα-helixtrans-72.9-41.6173.1-64.2-61.6-25.300111F505 V506F505-Q509 HydrophobicContact CD1-CG 4.44Å; F505-Q509 HydrophobicContact CE1-CG 4.09Å; F505-Q509 HydrophobicContact CZ-CG 4.33Å; F505-Q509 PolarHBondContact O-N 2.87Å; V506-Q509 WeakPolarHBondContact O-CB 3.43Å; V506-Q509 PolarHBondContact O-N 3.36Å
510Y86.7Confident88.4Confident200 Ų20086 Ų8678%0.78442%0.415SS*.Hα-helixtrans-91.1-21.7-177.7-64.6-82.2000114.1V506V506-Y510 HydrophobicContact CG1-CD2 4.1Å; V506-Y510 HydrophobicContact CG1-CE2 4.08Å; V506-Y510 WeakPolarHBondContact O-CD2 3.3Å; V506-Y510 PolarHBondContact O-N 3.03Å
511T87.8Confident88.5Confident26 Ų2682.6 Ų82.616%0.1640%0.4CS..SBendtrans-115117.5-177.7-45.70000111.7I507 L515 I516 L519I507-T511 WeakPolarHBondContact O-CA 3.25Å; I507-T511 WeakPolarHBondContact O-CB 3.5Å; I507-T511 PolarHBondContact O-N 3.33Å; I507-T511 PolarHBondContact O-OG1 3.16Å; I507-T511 VanDerWaalsContact O-OG1 3.06Å; T511-L515 HydrophobicContact CG2-CB 3.9Å; T511-I516 HydrophobicContact CG2-CG1 4.18Å; T511-L519 HydrophobicContact CG2-CD1 4.2Å; T511-L519 HydrophobicContact CG2-CD2 4.14Å; T511-L519 HydrophobicContact CG2-CG 4.29Å
512R85.7Confident88.9Confident167 Ų16784.7 Ų84.763%0.6342%0.419SS*.  trans-58.4146.4170.8-63.1173.451101.711.5111.6D514 L515 I516R512-D514 WeakPolarHBondContact CB-OD1 3.47Å; R512-D514 IonicContact CZ-OD1 3.51Å; R512-D514 IonicContact NE-OD1 3.74Å; R512-D514 PolarHBondContact NE-OD1 3.32Å; R512-D514 IonicContact NE-OD2 3.31Å; R512-D514 PolarHBondContact NE-OD2 2.97Å; R512-D514 IonicContact NH2-OD1 3.65Å; R512-D514 PolarHBondContact NH2-OD1 3.37Å; R512-D514 IonicContact NH2-OD2 3.51Å; R512-D514 PolarHBondContact O-N 2.89Å; R512-D514 VanDerWaalsContact O-N 3.17Å; R512-L515 HydrophobicContact CB-CD1 4.19Å; R512-L515 HydrophobicContact CB-CG 4.23Å; R512-L515 HydrophobicContact CG-CD1 4.48Å; R512-L515 WeakPolarHBondContact O-CA 3.31Å; R512-L515 PolarHBondContact O-N 3.42Å; R512-I516 PolarHBondContact O-N 3.4Å
513I85.8Confident89.2Confident118 Ų11886.2 Ų86.261%0.60543%0.428SS*.G310 helixtrans-56.9-36.7-176.6-58.9173.5000112.4L515 I516I513-L515 VanDerWaalsContact C-N 3.26Å; I513-L515 PolarHBondContact O-N 3.2Å; I513-I516 HydrophobicContact CB-CD1 4.5Å; I513-I516 HydrophobicContact CG2-CD1 4.5Å; I513-I516 PolarHBondContact O-N 3.36Å
514D88.4Confident89.3Confident95 Ų9592 Ų9251%0.50845%0.446SS..G310 helixtrans-66.7-21175.752.6-82.8000114.4R512R512-D514 WeakPolarHBondContact CB-OD1 3.47Å; R512-D514 IonicContact CZ-OD1 3.51Å; R512-D514 IonicContact NE-OD1 3.74Å; R512-D514 PolarHBondContact NE-OD1 3.32Å; R512-D514 IonicContact NE-OD2 3.31Å; R512-D514 PolarHBondContact NE-OD2 2.97Å; R512-D514 IonicContact NH2-OD1 3.65Å; R512-D514 PolarHBondContact NH2-OD1 3.37Å; R512-D514 IonicContact NH2-OD2 3.51Å; R512-D514 PolarHBondContact O-N 2.89Å; R512-D514 VanDerWaalsContact O-N 3.17Å
515L90.2Very high89.5Confident63 Ų6396.1 Ų96.133%0.3347%0.466SS..G310 helixtrans-96.8-12.8-179.4-59.4177.9000113.6T511 R512 I513 Q517 K518T511-L515 HydrophobicContact CG2-CB 3.9Å; R512-L515 HydrophobicContact CB-CD1 4.19Å; R512-L515 HydrophobicContact CB-CG 4.23Å; R512-L515 HydrophobicContact CG-CD1 4.48Å; R512-L515 WeakPolarHBondContact O-CA 3.31Å; R512-L515 PolarHBondContact O-N 3.42Å; I513-L515 VanDerWaalsContact C-N 3.26Å; I513-L515 PolarHBondContact O-N 3.2Å; L515-Q517 PolarHBondContact O-N 3Å; L515-Q517 VanDerWaalsContact O-N 3.14Å; L515-K518 HydrophobicContact CD2-CD 4.01Å; L515-K518 WeakPolarHBondContact O-CB 3.32Å; L515-K518 PolarHBondContact O-N 3.27Å
516I89.4Confident89.8Confident0 Ų093 Ų930%045%0.453CS..G310 helixtrans-55-36.8-178.6-64.8175.7000112T511 R512 I513 K518 L519 K526 L529 Q530T511-I516 HydrophobicContact CG2-CG1 4.18Å; R512-I516 PolarHBondContact O-N 3.4Å; I513-I516 HydrophobicContact CB-CD1 4.5Å; I513-I516 HydrophobicContact CG2-CD1 4.5Å; I513-I516 PolarHBondContact O-N 3.36Å; I516-K518 PolarHBondContact O-N 2.92Å; I516-L519 HydrophobicContact CG2-CD1 4.38Å; I516-L519 WeakPolarHBondContact O-CB 3.45Å; I516-L519 WeakPolarHBondContact O-CG 3.45Å; I516-L519 PolarHBondContact O-N 3.03Å; I516-K526 HydrophobicContact CG2-CB 4.48Å; I516-L529 HydrophobicContact CD1-CB 4.36Å; I516-L529 WeakPolarHBondContact CD1-O 3.01Å; I516-L529 HydrophobicContact CG2-CB 3.64Å; I516-L529 HydrophobicContact CG2-CD1 4.26Å; I516-Q530 HydrophobicContact CB-CG 4.18Å; I516-Q530 HydrophobicContact CD1-CG 4.18Å; I516-Q530 HydrophobicContact CG2-CG 3.84Å
517Q89.3Confident89.9Confident88 Ų8893.8 Ų93.841%0.41145%0.454SS..G310 helixtrans-67.7-19.9178.3-71.6-66-14.600113.8L515 K526L515-Q517 PolarHBondContact O-N 3Å; L515-Q517 VanDerWaalsContact O-N 3.14Å; Q517-K526 WeakPolarHBondContact O-CE 3.14Å; Q517-K526 PolarHBondContact O-NZ 3.03Å
518K91.4Very high90Very high167 Ų16793.7 Ų93.773%0.72645%0.451SS*.G310 helixtrans-85-11.4175.4-58.8-177-176.6175.40113.8L515 I516L515-K518 HydrophobicContact CD2-CD 4.01Å; L515-K518 WeakPolarHBondContact O-CB 3.32Å; L515-K518 PolarHBondContact O-N 3.27Å; I516-K518 PolarHBondContact O-N 2.92Å
519L91.8Very high90.1Very high38 Ų3890.9 Ų90.920%0.19944%0.44CS..SBendtrans-63.1147.8179.6-65.3175.3000111.5I507 T511 I516 L521 K526 L529I507-L519 HydrophobicContact CG2-CD1 3.88Å; T511-L519 HydrophobicContact CG2-CD1 4.2Å; T511-L519 HydrophobicContact CG2-CD2 4.14Å; T511-L519 HydrophobicContact CG2-CG 4.29Å; I516-L519 HydrophobicContact CG2-CD1 4.38Å; I516-L519 WeakPolarHBondContact O-CB 3.45Å; I516-L519 WeakPolarHBondContact O-CG 3.45Å; I516-L519 PolarHBondContact O-N 3.03Å; L519-L521 HydrophobicContact CB-CB 4.46Å; L519-L521 HydrophobicContact CB-CD1 4Å; L519-L521 HydrophobicContact CB-CG 4.07Å; L519-L521 HydrophobicContact CD1-CD1 3.89Å; L519-L521 PolarHBondContact O-N 3.07Å; L519-K526 WeakPolarHBondContact O-CE 3.39Å; L519-K526 PolarHBondContact O-NZ 3.35Å; L519-L529 HydrophobicContact CD1-CD1 4Å
520P93.9Very high90.4Very high130 Ų13088.4 Ų88.484%0.84443%0.429SS*.SBendtrans-78.456.2176.534.6-36.9000111.4
521L93.4Very high90.4Very high46 Ų4682.8 Ų82.824%0.24141%0.41CS..SBendtrans-124.8148.8-174.8-65.3176.3000111.7L519 M525 K526 L529L519-L521 HydrophobicContact CB-CB 4.46Å; L519-L521 HydrophobicContact CB-CD1 4Å; L519-L521 HydrophobicContact CB-CG 4.07Å; L519-L521 HydrophobicContact CD1-CD1 3.89Å; L519-L521 PolarHBondContact O-N 3.07Å; L521-M525 HydrophobicContact CB-CB 4.35Å; L521-M525 HydrophobicContact CD2-CE 4.37Å; L521-M525 HydrophobicContact CD2-SD 4.49Å; L521-K526 HydrophobicContact CB-CG 4.28Å; L521-K526 WeakPolarHBondContact O-CE 3.48Å; L521-L529 HydrophobicContact CD1-CD1 3.46Å; L521-L529 VanDerWaalsContact CD1-CD1 3.46Å
522P95.6Very high89.3Confident84 Ų8489.8 Ų89.855%0.54544%0.438SS..  trans-58.6148.3172.4-23.133.4000112.5K524 M525 K526P522-K524 VanDerWaalsContact C-N 3.32Å; P522-K524 PolarHBondContact O-N 3.4Å; P522-M525 HydrophobicContact CG-SD 4.34Å; P522-M525 WeakPolarHBondContact O-CA 3.42Å; P522-M525 WeakPolarHBondContact O-CB 3.45Å; P522-M525 PolarHBondContact O-N 3.19Å; P522-K526 PolarHBondContact O-N 3.32Å; P522-K526 VanDerWaalsContact O-N 3.09Å
523N92.3Very high87.8Confident114 Ų11486.4 Ų86.461%0.6143%0.429SS*.Hα-helixtrans-53.8-44.7-176.7-65.5-2.1000112.7M525 K526 D527N523-M525 PolarHBondContact O-N 3.26Å; N523-M525 VanDerWaalsContact O-N 3.09Å; N523-K526 CarbonylContact O-C 3.53Å; N523-K526 WeakPolarHBondContact O-CA 3.27Å; N523-K526 WeakPolarHBondContact O-CB 3.2Å; N523-K526 PolarHBondContact O-N 3.22Å; N523-D527 PolarHBondContact O-N 3.41Å; N523-D527 VanDerWaalsContact O-OD2 3.07Å
524K93.4Very high86Confident183 Ų18387.5 Ų87.580%0.79643%0.427SS*.Hα-helixtrans-53.6-33.9175.3-64-175.4179.2-178.30113.7P522 Y528P522-K524 VanDerWaalsContact C-N 3.32Å; P522-K524 PolarHBondContact O-N 3.4Å; K524-Y528 WeakPolarHBondContact O-CB 3.3Å; K524-Y528 PolarHBondContact O-N 2.97Å
525M92Very high85.9Confident93 Ų9387.1 Ų87.146%0.45842%0.423SS..Hα-helixtrans-78.8-35175.3-65.9-175.972.500111.8L521 P522 N523 Y528 L529L521-M525 HydrophobicContact CB-CB 4.35Å; L521-M525 HydrophobicContact CD2-CE 4.37Å; L521-M525 HydrophobicContact CD2-SD 4.49Å; P522-M525 HydrophobicContact CG-SD 4.34Å; P522-M525 WeakPolarHBondContact O-CA 3.42Å; P522-M525 WeakPolarHBondContact O-CB 3.45Å; P522-M525 PolarHBondContact O-N 3.19Å; N523-M525 PolarHBondContact O-N 3.26Å; N523-M525 VanDerWaalsContact O-N 3.09Å; M525-Y528 PolarHBondContact O-N 3.04Å; M525-L529 VanDerWaalsContact O-CB 3.3Å; M525-L529 WeakPolarHBondContact O-CB 3.46Å; M525-L529 WeakPolarHBondContact O-CG 3.49Å; M525-L529 PolarHBondContact O-N 3.05Å
526K91.9Very high85.7Confident24 Ų2488.4 Ų88.410%0.10443%0.428CS..Hα-helixtrans-63.8-42.7171.6-67.2175.7169.9176.20111.5I516 Q517 L519 L521 P522 N523 L529 Q530I516-K526 HydrophobicContact CG2-CB 4.48Å; Q517-K526 WeakPolarHBondContact O-CE 3.14Å; Q517-K526 PolarHBondContact O-NZ 3.03Å; L519-K526 WeakPolarHBondContact O-CE 3.39Å; L519-K526 PolarHBondContact O-NZ 3.35Å; L521-K526 HydrophobicContact CB-CG 4.28Å; L521-K526 WeakPolarHBondContact O-CE 3.48Å; P522-K526 PolarHBondContact O-N 3.32Å; P522-K526 VanDerWaalsContact O-N 3.09Å; N523-K526 CarbonylContact O-C 3.53Å; N523-K526 WeakPolarHBondContact O-CA 3.27Å; N523-K526 WeakPolarHBondContact O-CB 3.2Å; N523-K526 PolarHBondContact O-N 3.22Å; K526-L529 CarbonylContact O-C 3.47Å; K526-L529 PolarHBondContact O-N 2.76Å; K526-L529 VanDerWaalsContact O-N 3.16Å; K526-Q530 WeakPolarHBondContact O-CB 3.3Å; K526-Q530 WeakPolarHBondContact O-CG 3.18Å; K526-Q530 PolarHBondContact O-N 3.5Å
527D91.3Very high85.5Confident93 Ų9393.3 Ų93.350%0.49745%0.451SS..Hα-helixtrans-60.6-48.6176.2-56.5-33.8000110.3N523 L529 Q530 E531N523-D527 PolarHBondContact O-N 3.41Å; N523-D527 VanDerWaalsContact O-OD2 3.07Å; D527-L529 VanDerWaalsContact C-N 3.35Å; D527-L529 PolarHBondContact O-N 2.87Å; D527-Q530 CarbonylContact O-C 3.56Å; D527-Q530 PolarHBondContact O-N 2.62Å; D527-Q530 VanDerWaalsContact O-N 3.11Å; D527-E531 WeakPolarHBondContact O-CB 3.45Å; D527-E531 PolarHBondContact O-N 3.26Å
528Y90.9Very high85.3Confident50 Ų5093.6 Ų93.620%0.19645%0.454CS..Hα-helixtrans-60.4-39.8172.4-178.6-106000112.7Q500 R504 K524 M525 Q530Q500-Y528 HydrophobicContact CG-CD1 4.39Å; Q500-Y528 HydrophobicContact CG-CE1 3.65Å; R504-Y528 HydrophobicContact CB-CD1 4.25Å; R504-Y528 HydrophobicContact CB-CE1 3.66Å; R504-Y528 WeakPolarHBondContact CD-O 3.49Å; R504-Y528 HydrophobicContact CG-CE1 4.13Å; R504-Y528 PolarHBondContact NE-O 2.97Å; R504-Y528 PolarHBondContact NH1-O 3.29Å; K524-Y528 WeakPolarHBondContact O-CB 3.3Å; K524-Y528 PolarHBondContact O-N 2.97Å; M525-Y528 PolarHBondContact O-N 3.04Å; Y528-Q530 VanDerWaalsContact C-N 3.3Å; Y528-Q530 PolarHBondContact O-N 2.76Å
529L89.5Confident84.9Confident5 Ų589 Ų893%0.02644%0.437CS..Hα-helixtrans-69.8-22.8174.9-74.3171.7000113.1R504 I507 R508 I516 L519 L521 M525 K526 D527R504-L529 HydrophobicContact CB-CD2 3.89Å; R504-L529 HydrophobicContact CG-CD2 4.01Å; I507-L529 HydrophobicContact CB-CD2 3.97Å; I507-L529 HydrophobicContact CD1-CD1 4.41Å; I507-L529 HydrophobicContact CD1-CD2 4.16Å; I507-L529 HydrophobicContact CG2-CD1 3.95Å; I507-L529 HydrophobicContact CG2-CD2 3.81Å; R508-L529 PolarHBondContact NE-O 3.11Å; R508-L529 PolarHBondContact NH2-O 3.14Å; I516-L529 HydrophobicContact CD1-CB 4.36Å; I516-L529 WeakPolarHBondContact CD1-O 3.01Å; I516-L529 HydrophobicContact CG2-CB 3.64Å; I516-L529 HydrophobicContact CG2-CD1 4.26Å; L519-L529 HydrophobicContact CD1-CD1 4Å; L521-L529 HydrophobicContact CD1-CD1 3.46Å; L521-L529 VanDerWaalsContact CD1-CD1 3.46Å; M525-L529 VanDerWaalsContact O-CB 3.3Å; M525-L529 WeakPolarHBondContact O-CB 3.46Å; M525-L529 WeakPolarHBondContact O-CG 3.49Å; M525-L529 PolarHBondContact O-N 3.05Å; K526-L529 CarbonylContact O-C 3.47Å; K526-L529 PolarHBondContact O-N 2.76Å; K526-L529 VanDerWaalsContact O-N 3.16Å; D527-L529 VanDerWaalsContact C-N 3.35Å; D527-L529 PolarHBondContact O-N 2.87Å
530Q87.6Confident84.4Confident72 Ų7292.4 Ų92.434%0.33645%0.452SS..Hα-helixtrans-94.5-20.9175.5-71.2-164.6-43.900113.8R508 I516 K526 D527 Y528 K532R508-Q530 VanDerWaalsContact NH2-C 3.32Å; R508-Q530 PolarHBondContact NH2-O 3.23Å; I516-Q530 HydrophobicContact CB-CG 4.18Å; I516-Q530 HydrophobicContact CD1-CG 4.18Å; I516-Q530 HydrophobicContact CG2-CG 3.84Å; K526-Q530 WeakPolarHBondContact O-CB 3.3Å; K526-Q530 WeakPolarHBondContact O-CG 3.18Å; K526-Q530 PolarHBondContact O-N 3.5Å; D527-Q530 CarbonylContact O-C 3.56Å; D527-Q530 PolarHBondContact O-N 2.62Å; D527-Q530 VanDerWaalsContact O-N 3.11Å; Y528-Q530 VanDerWaalsContact C-N 3.3Å; Y528-Q530 PolarHBondContact O-N 2.76Å; Q530-K532 PolarHBondContact O-N 3.37Å
531E86.2Confident83.7Confident83 Ų8389.7 Ų89.739%0.38843%0.425SS..  trans-51.7133.3-176.9178.2-166.1-141.200113.2R504 R508 D527 H533R504-E531 IonicContact CZ-OE2 2.65Å; R504-E531 VanDerWaalsContact CZ-OE2 3.28Å; R504-E531 IonicContact NH1-OE2 2.94Å; R504-E531 PolarHBondContact NH1-OE2 3.07Å; R504-E531 PolarHBondContact NH2-O 3.45Å; R504-E531 IonicContact NH2-OE2 2.72Å; R504-E531 PolarHBondContact NH2-OE2 3.18Å; R508-E531 PolarHBondContact NH2-O 3.08Å; D527-E531 WeakPolarHBondContact O-CB 3.45Å; D527-E531 PolarHBondContact O-N 3.26Å; E531-H533 PolarHBondContact O-N 2.61Å; E531-H533 VanDerWaalsContact O-N 3.11Å; E531-H533 IonicContact OE1-CE1 3.15Å; E531-H533 IonicContact OE1-ND1 2.75Å; E531-H533 IonicContact OE2-CE1 3.34Å; E531-H533 PolarHBondContact OE2-CE1 3.23Å; E531-H533 IonicContact OE2-ND1 2.75Å; E531-H533 PolarHBondContact OE2-ND1 2.76Å; E531-H533 IonicContact OE2-NE2 2.73Å
532K65.3Low83Confident172 Ų17293.1 Ų93.175%0.74844%0.439SS*.  trans-78.692.1174.1-68.6-156.6167.7-152.60111.3Q530 Y534Q530-K532 PolarHBondContact O-N 3.37Å; K532-Y534 WeakPolarHBondContact CA-O 3.42Å; K532-Y534 VanDerWaalsContact CB-O 3.25Å; K532-Y534 WeakPolarHBondContact CB-O 3.43Å; K532-Y534 VanDerWaalsContact CG-O 3.25Å; K532-Y534 WeakPolarHBondContact CG-O 3.42Å
533H54.2Low81.9Confident96 Ų9693.8 Ų93.844%0.44443%0.43SS..  trans-79.2-12.6148.1-72.712000111.3R504 E531R504-H533 PolarHBondContact NH2-ND1 3.08Å; E531-H533 PolarHBondContact O-N 2.61Å; E531-H533 VanDerWaalsContact O-N 3.11Å; E531-H533 IonicContact OE1-CE1 3.15Å; E531-H533 IonicContact OE1-ND1 2.75Å; E531-H533 IonicContact OE2-CE1 3.34Å; E531-H533 PolarHBondContact OE2-CE1 3.23Å; E531-H533 IonicContact OE2-ND1 2.75Å; E531-H533 PolarHBondContact OE2-ND1 2.76Å; E531-H533 IonicContact OE2-NE2 2.73Å
534Y48.6Very low81Confident141 Ų14192 Ų9255%0.55341%0.413SS*.  trans-137.90169.7-42.1-53.3000107.4P387 Y501 K532P387-Y534 HydrophobicContact CB-CD1 3.57Å; P387-Y534 HydrophobicContact CB-CE1 3.76Å; P387-Y534 HydrophobicContact CB-CG 4.33Å; P387-Y534 HydrophobicContact CG-CD1 3.56Å; P387-Y534 HydrophobicContact CG-CD2 4.35Å; P387-Y534 HydrophobicContact CG-CE1 3.57Å; P387-Y534 HydrophobicContact CG-CE2 4.36Å; P387-Y534 HydrophobicContact CG-CG 3.98Å; Y501-Y534 PolarHBondContact OH-OH 3.35Å; K532-Y534 WeakPolarHBondContact CA-O 3.42Å; K532-Y534 VanDerWaalsContact CB-O 3.25Å; K532-Y534 WeakPolarHBondContact CB-O 3.43Å; K532-Y534 VanDerWaalsContact CG-O 3.25Å; K532-Y534 WeakPolarHBondContact CG-O 3.42Å

Retrieved 534 of 534 residues in 304.2 ms (Link to these results)