A0A5K4F288_SCHMA Loading...

Kettin/titin-related protein

AlphaFold DB (A0A5K4F3S2), UniProt , Accession A0A5K4F288, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,064 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.6Very low37.1Very low242 Ų242130 Ų130100%1.19275%0.754SS**  0150.30-76.2172.1166.500108.3
2A35.4Very low37.3Very low95 Ų95128.8 Ų128.879%0.78575%0.75SS**  trans43.190.315500000119.5
3S33.3Very low37.7Very low110 Ų110125.8 Ų125.877%0.76974%0.737SS**  1.5159.9106.1-55.60000119.6
4P47.1Very low37.6Very low107 Ų107123.3 Ų123.370%0.69573%0.73SS**  cis-143.1-116.7-24.937.2-13.9000111.8
5D37.6Very low37.4Very low133 Ų133122.1 Ų122.171%0.71171%0.714SS**  trans68.8111.9170.5-63-24.3000118.1
6V37.5Very low37.1Very low129 Ų129121.9 Ų121.978%0.78271%0.708SS**  92.8128.455.51620000110.7
7G35.5Very low37Very low60 Ų60121.1 Ų121.162%0.61971%0.711SS**  cis158.5-169.3-300000111.8
8M36Very low37.2Very low151 Ų151119.8 Ų119.874%0.74471%0.707SS**  trans66.2122175.4-52.5-52.3175.900114.5
9A34.7Very low37.1Very low72 Ų72122.8 Ų122.860%0.59571%0.713SS**  68.6139.167.700000112
10Y35.7Very low37.2Very low184 Ų184122.2 Ų122.272%0.72272%0.715SS**  cis-140.515536.9-76.8-93.3000116.4
11H39.3Very low37Very low147 Ų147120 Ų12068%0.68172%0.719SS**  trans13.8136.7153-58.9-41.8000122.1
12T39.1Very low36.9Very low116 Ų116115.8 Ų115.871%0.71270%0.701SS**  cis70.2159.530.582.80000115.4
13P42Very low36.7Very low89 Ų89120.5 Ų120.558%0.57871%0.709SS**  -133.9-148.4-50.436-15.7000109.7
14S37Very low36.7Very low91 Ų91121.5 Ų121.564%0.63671%0.711SS**  trans127.9125.9136.4-68.30000115
15Q33.7Very low36.2Very low106 Ų106123 Ų12350%0.49572%0.718SS.*  cis79.6147.541.6-65.5-173.2-17.900113.3Q146Q15-Q146 PolarHBondContact NE2-O 3.32Å
16I33.4Very low35.7Very low119 Ų119121.8 Ų121.861%0.6172%0.72SS**  cis-156.2145.12.5-126.4164.7000113.1
17S35.6Very low35.5Very low108 Ų108121.6 Ų121.676%0.75572%0.72SS**  trans31.2-136.1144.4-37.30000120.1
18P39.9Very low35.2Very low98 Ų98128.1 Ų128.164%0.63673%0.731SS**  -119.7-172.2-66.729.1-14.1000113.8
19Q36Very low35Very low177 Ų177127.3 Ų127.383%0.82773%0.734SS**  trans121.6153.2147.6-68.2-177.319.200115.1
20S37.9Very low34.7Very low109 Ų109131.2 Ų131.276%0.76274%0.744SS**  cis-177.3145.2-36.956.50000108.1
21G33.7Very low34.3Very low76 Ų76129.7 Ų129.778%0.78475%0.748SS**  trans-179.7102.9173.100000115.2
22N33.7Very low33.9Very low155 Ų155130.3 Ų130.383%0.82976%0.756SS**  trans-78.1147170.8-65.7-30.3000111.1
23M32.4Very low33.6Very low194 Ų194129.1 Ų129.196%0.95675%0.753SS**  trans-136.8140.9137.5-77.9-150.2177.700110.1
24T32.6Very low32.9Very low131 Ų131134.4 Ų134.480%0.80476%0.761SS**  trans-117.3118.2-172.6-42.60000109.6
25T36Very low32.6Very low137 Ų137134.7 Ų134.784%0.8477%0.768SS**  trans-130.2114.1171.927.30000110.5
26S28.1Very low32.4Very low109 Ų109135.8 Ų135.876%0.76277%0.774SS**  trans-93.3110.5-178.81510000110.7
27T34.4Very low32.3Very low125 Ų125136 Ų13677%0.76778%0.78SS**  trans-113.3117.2164.1-57.80000109.4V29T27-V29 HydrophobicContact CG2-CG2 4.46Å
28K28.6Very low31.9Very low197 Ų197137.4 Ų137.486%0.85778%0.779SS**  trans-75.5124.1171.9-66.6175.8178177.40109.5
29V30.9Very low31.4Very low134 Ų134141.1 Ų141.181%0.81279%0.793SS**  trans-128.5147155.5-174.70000106.8T27 N31T27-V29 HydrophobicContact CG2-CG2 4.46Å; V29-N31 PolarHBondContact O-N 2.89Å
30L29.5Very low31.1Very low154 Ų154136.1 Ų136.181%0.80678%0.782SS**  trans-68.4127.5-162.8-70.6107.2000113.1L32L30-L32 VanDerWaalsContact C-N 3.27Å; L30-L32 PolarHBondContact O-N 3.07Å
31N27Very low30.8Very low151 Ų151139.5 Ų139.581%0.80779%0.786SS**  trans-7683.4162.4-168.3-7.5000107.9V29 S33V29-N31 PolarHBondContact O-N 2.89Å; N31-S33 PolarHBondContact O-N 2.93Å
32L31.1Very low30.8Very low161 Ų161141.1 Ų141.184%0.84378%0.782SS**  trans-72.979.8178.3-104.1168.3000109.9L30 R34L30-L32 VanDerWaalsContact C-N 3.27Å; L30-L32 PolarHBondContact O-N 3.07Å; L32-R34 PolarHBondContact O-N 3.1Å
33S31.4Very low30.7Very low91 Ų91138.1 Ų138.164%0.63678%0.779SS**  trans-71.1127.8-176.160.80000112N31N31-S33 PolarHBondContact O-N 2.93Å
34R28.4Very low30.8Very low200 Ų200139.8 Ų139.876%0.75578%0.776SS**  65.156.4128.2-159.6-175.7-170.3152.37.6116.1L32 Q36L32-R34 PolarHBondContact O-N 3.1Å; R34-Q36 HydrophobicContact CG-CG 3.94Å; R34-Q36 VanDerWaalsContact CZ-OE1 3.31Å; R34-Q36 PolarHBondContact O-N 3.08Å
35A30.2Very low30.8Very low96 Ų96136.5 Ų136.579%0.79377%0.768SS**  trans-72.277.8149.200000109.4V37A35-V37 PolarHBondContact O-N 2.66Å
36Q29.3Very low30.6Very low130 Ų130134.7 Ų134.761%0.60777%0.767SS**  trans-72.373.1164.5-79.6-172.1-10600108.8R34 N38R34-Q36 HydrophobicContact CG-CG 3.94Å; R34-Q36 VanDerWaalsContact CZ-OE1 3.31Å; R34-Q36 PolarHBondContact O-N 3.08Å; Q36-N38 PolarHBondContact O-N 3.07Å
37V31.1Very low30.9Very low123 Ų123139 Ų13975%0.74577%0.768SS**  trans-68.8115.4165.2-178.30000106.5A35 L39A35-V37 PolarHBondContact O-N 2.66Å; V37-L39 PolarHBondContact O-N 3.48Å
38N28.3Very low31Very low138 Ų138139 Ų13974%0.73877%0.77SS**  trans-65.6103.6170.2-74.9-35.7000108.2Q36 A40Q36-N38 PolarHBondContact O-N 3.07Å; N38-A40 HydrophobicContact CB-CB 4.43Å; N38-A40 PolarHBondContact O-N 3.17Å
39L29.3Very low31.4Very low175 Ų175136 Ų13692%0.91677%0.769SS**  trans-68.864.1147.2-84.2163.6000108.4V37 Q41V37-L39 PolarHBondContact O-N 3.48Å; L39-Q41 PolarHBondContact O-N 3.17Å
40A30.1Very low31.6Very low72 Ų72135.2 Ų135.260%0.59577%0.77SS**  trans-60.3130.8153.200000105.9N38N38-A40 HydrophobicContact CB-CB 4.43Å; N38-A40 PolarHBondContact O-N 3.17Å
41Q30.6Very low31.7Very low181 Ų181134.3 Ų134.385%0.84677%0.77SS**  trans-55.6132.4170.3-65.1164.9-75.800107.6L39 A43L39-Q41 PolarHBondContact O-N 3.17Å; Q41-A43 VanDerWaalsContact C-N 3.26Å; Q41-A43 PolarHBondContact O-N 2.9Å
42P34.6Very low32Very low110 Ų110132.5 Ų132.571%0.71477%0.769SS**  trans-63.399.9159.727.6-30.8000106.1Y44P42-Y44 PolarHBondContact O-N 3.31Å; P42-Y44 VanDerWaalsContact O-N 3.1Å
43A30.6Very low32.2Very low92 Ų92130.7 Ų130.776%0.7677%0.767SS**  trans-56.5118.8170.800000106.9Q41 G45Q41-A43 VanDerWaalsContact C-N 3.26Å; Q41-A43 PolarHBondContact O-N 2.9Å; A43-G45 PolarHBondContact O-N 3.39Å
44Y35.1Very low32.1Very low228 Ų228135.1 Ų135.189%0.89478%0.778SS**  trans-62.8104.6-178.2-95.4-94.2000108.6P42 A46P42-Y44 PolarHBondContact O-N 3.31Å; P42-Y44 VanDerWaalsContact O-N 3.1Å; Y44-A46 PolarHBondContact O-N 3.29Å
45G32.5Very low32.4Very low62 Ų62134.6 Ų134.664%0.63978%0.784SS**PPolyproline II helixtrans-60.2120.4-172.600000110.8A43 Y47A43-G45 PolarHBondContact O-N 3.39Å; G45-Y47 PolarHBondContact O-N 2.97Å; G45-Y47 VanDerWaalsContact O-N 3.17Å
46A32Very low32.5Very low99 Ų99134.2 Ų134.282%0.81878%0.775SS**PPolyproline II helixtrans-61.8117.9-178.100000111.1Y44Y44-A46 PolarHBondContact O-N 3.29Å
47Y35.1Very low32.6Very low199 Ų199134.3 Ų134.378%0.7879%0.785SS**PPolyproline II helixtrans-68.6127168.3-80.3-88.3000109.8G45 T49G45-Y47 PolarHBondContact O-N 2.97Å; G45-Y47 VanDerWaalsContact O-N 3.17Å; Y47-T49 PolarHBondContact O-N 3.48Å
48P35Very low32.7Very low125 Ų125134 Ų13481%0.81279%0.786SS**  trans-79.191.2-179.431.2-34.4000111.1S50P48-S50 PolarHBondContact O-N 2.89Å
49T37.9Very low32.7Very low134 Ų134134.1 Ų134.182%0.82279%0.792SS**  trans-70.3110164.429.10000109.9Y47 V51Y47-T49 PolarHBondContact O-N 3.48Å; T49-V51 PolarHBondContact O-N 3.1Å
50S34.2Very low32.8Very low119 Ų119132.8 Ų132.883%0.83279%0.785SS**  trans-67.8130-179.956.10000111.7P48P48-S50 PolarHBondContact O-N 2.89Å
51V32.1Very low32.8Very low134 Ų134133.6 Ų133.681%0.81279%0.792SS**  trans-82.5131.4178.2179.90000110T49T49-V51 PolarHBondContact O-N 3.1Å
52S33.5Very low32.9Very low114 Ų114134.2 Ų134.280%0.79779%0.788SS**  trans-148.7150157.4-81.30000109.9
53P35Very low32.7Very low123 Ų123136.4 Ų136.480%0.79979%0.793SS**  trans-103.5169.3-130.237-36.6000116.9
54Q30.2Very low32.8Very low184 Ų184142 Ų14286%0.8680%0.797SS**  trans-58.8154-177.9-58.1168.5-30.500115.2
55Q33.2Very low32.6Very low189 Ų189136.1 Ų136.188%0.88379%0.788SS**  trans-149.995.1139.1-118.3169.250.600113.7
56S33.6Very low32.5Very low87 Ų87140.8 Ų140.861%0.60880%0.799SS**  trans37.2110.9139.459.80000122.9
57T31.6Very low32.5Very low133 Ų133145.1 Ų145.182%0.81680%0.802SS**  65.4164.3128.962.90000121
58P31.5Very low32.3Very low116 Ų116144.5 Ų144.575%0.75381%0.807SS**  cis-122.3177.6-8.532-12.7000114.6
59T28.9Very low32.3Very low141 Ų141144 Ų14487%0.86581%0.805SS**  trans-61.2149.6167.632.50000113.3
60N32.5Very low32Very low146 Ų146146.1 Ų146.178%0.78181%0.806SS**  trans-145.9135.1160.6-139.5-7.5000109.9
61A29.3Very low32Very low89 Ų89145.6 Ų145.674%0.73680%0.803SS**  trans-102133.6-174.200000111.4
62Y32.2Very low32.3Very low194 Ų194144.8 Ų144.876%0.76180%0.8SS**  trans-108.892.6174.5-84.5-80.5000111.6Y64Y62-Y64 HydrophobicContact CD1-CD2 4.49Å; Y62-Y64 HydrophobicContact CD1-CE2 4.23Å
63N30.1Very low32.3Very low156 Ų156144.2 Ų144.283%0.83480%0.796SS**  trans-68.8133.4153-85.6-50.3000108.7
64Y32.9Very low32.1Very low211 Ų211145.8 Ų145.883%0.82779%0.791SS**  trans-121.7107.3161.8-110-82.4000110Y62Y62-Y64 HydrophobicContact CD1-CD2 4.49Å; Y62-Y64 HydrophobicContact CD1-CE2 4.23Å
65S32.1Very low32.2Very low103 Ų103146.8 Ų146.872%0.7279%0.788SS**  trans-84.9135.2178.754.30000111.5
66N28.7Very low32.1Very low161 Ų161142 Ų14286%0.86178%0.781SS**  trans-56.6141.8170.5-80.2-45000112.8
67Q33.1Very low31.9Very low190 Ų190148.5 Ų148.589%0.88879%0.794SS**  trans-136160.8149.5-76.1-156.827.900110.4
68Q31.1Very low32.4Very low186 Ų186147 Ų14787%0.86979%0.786SS**  trans-108.6135.7-159.3-58.7165.6-31.600113.3
69S34Very low32.4Very low113 Ų113146.2 Ų146.279%0.7978%0.783SS**  trans-168.491.6148.955.30000109.1
70Q32.9Very low32.8Very low179 Ų179148.4 Ų148.484%0.83678%0.784SS**  74.8112.290.4-77-16331.100116.2
71S34.2Very low32.8Very low108 Ų108147.6 Ų147.676%0.75578%0.784SS**  trans92.7148.4142.4-56.40000120
72P37.2Very low33Very low118 Ų118147.1 Ų147.177%0.76679%0.788SS**  trans-129.3-155.3-153.841.9-22.4000113.6
73S33.8Very low33Very low101 Ų101147.2 Ų147.271%0.70679%0.792SS**  trans100143170-46.50000114.8
74F30.7Very low33.4Very low156 Ų156149.1 Ų149.168%0.68480%0.796SS**  cis-170.2165.1-12.9-133.2-83.8000110.1
75Y32.8Very low33.4Very low205 Ų205147.6 Ų147.680%0.80480%0.797SS**  trans64.1168.9164.9-57.8-65.5000119.1
76A30.9Very low34Very low89 Ų89147.7 Ų147.774%0.73680%0.795SS**  cis-168.1159.4-48.900000112.4
77Y29.7Very low34.3Very low223 Ų223146.5 Ų146.588%0.87579%0.789SS**  trans-60.7179.7171.2-79.3-75.2000116.2
78P41.3Very low34.6Very low102 Ų102141.9 Ų141.966%0.66278%0.777SS**  cis-140.6176-23.432.9-11.9000116.5
79S32.5Very low34.8Very low99 Ų99139 Ų13969%0.69277%0.768SS**  trans45131.3140.967.30000123.8
80Q36.1Very low34.8Very low188 Ų188143.9 Ų143.988%0.87978%0.775SS**  -168.3175114-109.8178.96200115
81T32.2Very low35Very low129 Ų129140.3 Ų140.379%0.79176%0.762SS**  trans-95.4158.4-162.548.20000116.3
82G34.3Very low35.1Very low78 Ų78143.6 Ų143.680%0.80476%0.763SS**  trans-157.7147.1162.500000112.2
83F32.5Very low35Very low196 Ų196144 Ų14486%0.8677%0.766SS**  trans-116.7154.1-175.2-94.1-107.1000111.7
84E37.5Very low34.8Very low196 Ų196142.6 Ų142.692%0.91677%0.766SS**  -170.6171.6123-103.8174.3163.300112.7
85Q33.8Very low34.8Very low179 Ų179144 Ų14484%0.83677%0.773SS**  trans-147.4-173.2-165-115.6-162.46.100110.4
86P43.8Very low34.5Very low105 Ų105141.7 Ų141.768%0.68277%0.769SS**  cis-115.9-139.85.726.8-0.5000111.3
87D36.6Very low34.4Very low137 Ų137144.2 Ų144.273%0.73377%0.77SS**  cis-163.2-168.66.2-160.77.1000112.6
88S38.8Very low34.5Very low93 Ų93144.2 Ų144.265%0.6578%0.775SS**  trans71.662.515168.10000121
89N34.5Very low34Very low125 Ų125143.3 Ų143.367%0.66878%0.776SS**  47.4116.9127.9-69.5-57.1000121
90F34.6Very low33.8Very low215 Ų215145.8 Ų145.894%0.94378%0.777SS**  -149.9135.5104-118.5-84.1000111.4
91N36.8Very low33.7Very low105 Ų105143.6 Ų143.656%0.56178%0.779SS**  trans-88.1163.9178.5-78.7-84.6000110
92K35.8Very low33.6Very low177 Ų177144 Ų14477%0.7777%0.772SS**  cis-176.5-176.1-4.4-113.5172.2-1781670106.8
93P35.3Very low33.3Very low127 Ų127146.1 Ų146.183%0.82577%0.769SS**  -106.2-163-52.840.6-26.2000108
94G31Very low33.2Very low70 Ų70145.6 Ų145.672%0.72277%0.767SS**  cis178.2157.79.900000108.4
95F29.6Very low32.7Very low187 Ų187142.2 Ų142.282%0.8276%0.76SS**  trans-99.5158.9-161.2-88.7-100.1000115.9
96Q27.8Very low32.7Very low156 Ų156141.6 Ų141.673%0.72976%0.76SS**  trans77.5158.9136.4-86.2157.2-10.500122.6
97N28.3Very low32.1Very low141 Ų141139.4 Ų139.475%0.75476%0.757SS**  trans71.687.9159.5-60.4-16.7000118.4
98F31.1Very low31.9Very low224 Ų224138 Ų13898%0.98276%0.758SS**  trans-98.1107.4141-87.6-80.6000109.5
99A31.4Very low31.6Very low83 Ų83140.6 Ų140.669%0.68677%0.765SS**  trans-108.1147.6169.900000109.7
100Q28.3Very low31.5Very low151 Ų151143.3 Ų143.371%0.70677%0.773SS**  trans39.1118.8161.2-62.9-175.1-7.100119.2Q102Q100-Q102 PolarHBondContact O-N 3.11Å
101P33.7Very low31.2Very low141 Ų141137.2 Ų137.292%0.91676%0.763SS**  trans-68.5103.1161.429.9-31.9000110
102Q30.3Very low31Very low137 Ų137137.7 Ų137.764%0.6477%0.774SS**  trans-87.1144.7171.4-83.4-72.1-20.800111.3Q100Q100-Q102 PolarHBondContact O-N 3.11Å
103V26.8Very low30.7Very low124 Ų124137.8 Ų137.875%0.75278%0.777SS**  trans-72.9134.3179.6177.90000110.3
104F31.1Very low30.5Very low184 Ų184141 Ų14181%0.80778%0.784SS**  trans-133.9110.6168.7-90.6-80.1000112.6
105T27.7Very low30.6Very low126 Ų126146.3 Ų146.377%0.77379%0.789SS**  trans-102.9135.5156.4-51.60000108
106I34Very low30.7Very low165 Ų165143 Ų14385%0.84679%0.787SS**  trans-172.8149.5156.5-98.8146.9000107
107G29.6Very low31.1Very low60 Ų60142 Ų14262%0.61979%0.792SS**  trans-156-167.5176.400000114.3
108S34.1Very low31.2Very low107 Ų107143.1 Ų143.175%0.74879%0.792SS**  trans77.9125167.776.90000120.4
109N32.3Very low31.3Very low148 Ų148143.5 Ų143.579%0.79179%0.789SS**  trans62.6126.7139.5-53.8-19.6000119.4
110Q30.9Very low31.2Very low182 Ų182149.6 Ų149.685%0.8579%0.794SS**  -160.1135.852.8-77.5-179.249.500109.7
111A30Very low31.5Very low87 Ų87149.9 Ų149.972%0.71980%0.795SS**  77.5113.466.300000115.5
112S31.7Very low31.4Very low114 Ų114150 Ų15080%0.79778%0.784SS**  trans-164.5108.5156.2-86.60000114.2
113Q29.8Very low31.4Very low180 Ų180149.3 Ų149.384%0.84178%0.783SS**  trans36.2119.4141.7-53.5-1794100121.2
114M31.3Very low31.6Very low194 Ų194152 Ų15296%0.95679%0.787SS**  -145.5170.9121-117.1-169.5-69.800111.5
115Q33.7Very low31.7Very low181 Ų181151.7 Ų151.785%0.84679%0.789SS**  trans-89.9158.5-152.5-73-158.818.400116.7
116P31.6Very low32Very low118 Ų118151.2 Ų151.277%0.76679%0.788SS**  trans-89.4156.6-176.936.5-36.5000113.8
117T36Very low31.9Very low135 Ų135151.6 Ų151.683%0.82879%0.786SS**  trans-130.6130.3165.7-58.60000109.9
118Q30.5Very low31.9Very low165 Ų165157 Ų15777%0.77180%0.795SS**  trans-87.5146.6176.2-66.5-147.8-14.500112.4
119Y32.4Very low31.9Very low232 Ų232156.1 Ų156.191%0.9179%0.787SS**  trans-136.7143.8144.1-103.8-83.2000111
120R30.2Very low32Very low210 Ų210156 Ų15679%0.79278%0.781SS**  trans-143.9162.5-177.2-171.8-177.6-173.5-166.14.4107.5
121Q34.4Very low31.9Very low157 Ų157153.4 Ų153.473%0.73477%0.769SS**  trans97.3143.3176.5-56.1176.694.900113.9
122Q31.3Very low31.9Very low144 Ų144158.1 Ų158.167%0.67377%0.77SS**  cis-159.9147.3-10.8-113.3173.217.500111.8
123I29.6Very low31.9Very low123 Ų123163.2 Ų163.263%0.63177%0.772SS**  trans42116.6141-53157.3000118.8
124Q30.9Very low31.7Very low179 Ų179160.9 Ų160.984%0.83677%0.77SS**  -174.6136.5107-119.7124.9138.300113.2
125Q34.5Very low31.7Very low179 Ų179160 Ų16084%0.83677%0.767SS**  trans-120.1161.6154.4-78.7-171.6-3.600107.6
126P32.8Very low31.4Very low115 Ų115155.2 Ų155.275%0.74776%0.758SS**  -149.7133.7119.532.7-14.2000117.7
127Q31.6Very low31.3Very low174 Ų174155.8 Ų155.881%0.81376%0.759SS**  trans76.9158.3132.4-62-66.1-3.500123
128Q31.1Very low31.2Very low172 Ų172154.5 Ų154.580%0.80475%0.754SS**  trans-104-143.5-174.9-51.2-179.6-13.200110.2
129P34.2Very low31.1Very low89 Ų89153.6 Ų153.658%0.57875%0.753SS**  cis-141-160.6-13.327.2-0000115.9
130Q33.1Very low31Very low145 Ų145150 Ų15068%0.67875%0.745SS**  trans98.5144.6155.1-53-50.62.900119.1
131Q29.3Very low30.9Very low129 Ų129145.8 Ų145.860%0.60374%0.742SS**  cis-170.6-172.1-24.4-146.1179.547.900111.6
132Y30.4Very low30.8Very low186 Ų186144.4 Ų144.473%0.72975%0.745SS**  trans82.9111.5171.2-59.7-82.3000116.9
133R30.9Very low30.8Very low220 Ų220144.4 Ų144.483%0.8375%0.75SS**  80.2112.365.8-77.7-167.7176.5-156.61.1113
134V26.8Very low30.7Very low132 Ų132146.3 Ų146.380%0.876%0.758SS**  cis85.612049.3172.80000114.3
135I30.2Very low30.8Very low175 Ų175140.4 Ų140.490%0.89775%0.745SS**  trans-174159.5140.9-96.2154.2000112.3
136A28.4Very low30.6Very low80 Ų80139.2 Ų139.266%0.66174%0.739SS**  trans-75.9148.1-157.500000121.8
137T29.2Very low30.5Very low130 Ų130139.8 Ų139.880%0.79874%0.735SS**  1.2171128.947.40000122.4
138P34.3Very low30.5Very low109 Ų109137 Ų13771%0.70873%0.726SS**  cis-144.6-166-23.534.9-11.8000116.3
139L27.5Very low30.4Very low145 Ų145133.2 Ų133.276%0.75972%0.724SS**  trans99.4134.3149-73162000123.4
140Q29.8Very low30.5Very low157 Ų157137.3 Ų137.373%0.73473%0.729SS**  trans76.793.8141.8-81.5174.6-9.200125.1
141T29.5Very low30.7Very low121 Ų121136.1 Ų136.174%0.74273%0.734SS**  64.8136.811853.30000125.2
142T30.6Very low30.9Very low129 Ų129134.2 Ų134.279%0.79173%0.731SS**  trans83.685148.421.70000123
143N31.6Very low31Very low143 Ų143131 Ų13177%0.76574%0.736SS**  58.5152.4109.5-149.511.6000124
144M28.8Very low31.1Very low164 Ų164128.1 Ų128.181%0.80873%0.732SS**  trans83.9115.6162.2-58-62.7-79.100121.7
145G31.2Very low31.5Very low54 Ų54126.6 Ų126.656%0.55773%0.727SS**  125.9109.512200000121.3
146Q31.8Very low31.6Very low154 Ų154125.3 Ų125.372%0.7272%0.722SS**  trans65153.3142.4-58.7-175.53.100122.2Q15Q15-Q146 PolarHBondContact NE2-O 3.32Å
147L29.6Very low31.9Very low127 Ų127126.4 Ų126.467%0.66573%0.725SS**  cis-173.5146.6-42.4-117.5169.8000108.7
148N31.3Very low32Very low116 Ų116126 Ų12662%0.6271%0.714SS**  trans7.2135.3162.8-61.7-8.5000124.1Y150N148-Y150 HydrophobicContact CB-CD2 3.98Å; N148-Y150 HydrophobicContact CB-CE2 4.11Å
149A30.4Very low32.1Very low93 Ų93125.6 Ų125.677%0.76971%0.712SS**  -147.8139.4123.100000107.5
150Y35.2Very low32.2Very low175 Ų175123.1 Ų123.169%0.68671%0.706SS**  cis65.9144.834.5-64.1-53.6000113.6N148 V152N148-Y150 HydrophobicContact CB-CD2 3.98Å; N148-Y150 HydrophobicContact CB-CE2 4.11Å; Y150-V152 HydrophobicContact CD1-CG2 3.74Å; Y150-V152 HydrophobicContact CE1-CG2 4.32Å; Y150-V152 HydrophobicContact CG-CG2 4.31Å
151P37.7Very low32.3Very low120 Ų120125.2 Ų125.278%0.77971%0.709SS**  cis-109.916829.88.916.2000114.3
152V33.4Very low32.4Very low88 Ų88126.4 Ų126.453%0.53371%0.711SS.*  cis83.7116.927.1-179.50000115.8Y150 Q154Y150-V152 HydrophobicContact CD1-CG2 3.74Å; Y150-V152 HydrophobicContact CE1-CG2 4.32Å; Y150-V152 HydrophobicContact CG-CG2 4.31Å; V152-Q154 HydrophobicContact CG1-CG 4.39Å
153S32.8Very low32.6Very low118 Ų118124.5 Ų124.583%0.82571%0.708SS**  trans170.3164.7135.7450000111.9
154Q32.8Very low32.6Very low160 Ų160126.9 Ų126.975%0.74871%0.714SS**  -171.1160.2-65-112.7-179.3700110.5V152V152-Q154 HydrophobicContact CG1-CG 4.39Å
155S34.6Very low33.1Very low101 Ų101123.7 Ų123.771%0.70671%0.706SS**  trans71.7154.1155.682.70000118.9
156N32.3Very low33.2Very low148 Ų148128.7 Ų128.779%0.79172%0.72SS**  cis-168169.9-22.3-108-8.4000112.8
157S36.3Very low33.2Very low103 Ų103127.3 Ų127.372%0.7272%0.721SS**  trans63.2116.2150.749.70000120.4
158Q31.4Very low33.4Very low120 Ų120127.7 Ų127.756%0.56172%0.723SS**  69.5150.972-70-89.3-6200115
159P35.8Very low33.3Very low102 Ų102131.1 Ų131.166%0.66273%0.729SS**  cis-148.9174.2-26.441-22.4000118
160S30.4Very low33.5Very low93 Ų93136 Ų13665%0.6573%0.733SS**  trans86.5148.5138.3-136.30000125.6
161Y31.3Very low33.4Very low201 Ų201130.9 Ų130.979%0.78873%0.733SS**  trans77.2121.7155.5-73.8-62.5000125
162N31.1Very low33.4Very low146 Ų146134.2 Ų134.278%0.78174%0.738SS**  trans82.7113.4137.5-75.2-7.4000124.2
163A34.5Very low33.5Very low88 Ų88135.6 Ų135.673%0.72775%0.752SS**  8397118.300000122.9
164Q32.7Very low33.6Very low194 Ų194133.7 Ų133.791%0.90775%0.751SS**  70.9166.3121.3-90.6-154.4-26.100121
165P39.1Very low33.6Very low96 Ų96134.5 Ų134.562%0.62376%0.755SS**  trans-125.1-177.9-135.846.1-35.7000115.9
166N33.2Very low33.6Very low159 Ų159136.7 Ų136.785%0.8577%0.765SS**  -173.5178.4125.4-101.9-55.9000114.1
167V32.1Very low33.5Very low125 Ų125137 Ų13776%0.75876%0.761SS**  trans-112.2174.9-167.8-167.90000110.7
168I32.7Very low33.4Very low136 Ų136139.8 Ų139.870%0.69776%0.763SS**  trans156.646.6167.6-30.7179.3000122.7
169Y30.8Very low33.5Very low188 Ų188142 Ų14274%0.73777%0.773SS**  trans52.2166.4151.4-85.7-108.4000126.9
170F32.8Very low33.3Very low195 Ų195144.2 Ų144.286%0.85578%0.778SS**  trans78.4140.6161-55.8-69.2000119.2
171G34Very low33.6Very low68 Ų68145.7 Ų145.770%0.70179%0.786SS**  cis170.5-173.8-6.600000114.6
172Q38.2Very low33.4Very low189 Ų189142.7 Ų142.788%0.88378%0.783SS**  trans90.589.9166.6-55.1-166.613.600122
173S34.5Very low33.5Very low117 Ų117145.2 Ų145.282%0.81879%0.79SS**  44.2135.5118.562.80000124.8
174G35.7Very low33.4Very low79 Ų79149.8 Ų149.881%0.81480%0.796SS**  trans-154.9145150.700000111.5
175Q33.4Very low33.7Very low176 Ų176145.8 Ų145.882%0.82279%0.787SS**  trans-127.9150.8-173.9-64.8-178.3-7.400113.1
176T33.7Very low33.4Very low148 Ų148152.7 Ų152.791%0.90880%0.802SS**  trans-147.6167.3143.7-330000111.1
177Q30Very low33.5Very low155 Ų155153.4 Ų153.472%0.72480%0.8SS**  trans-119.3177.4-163.3-57.5175.1-4.500114.8
178Q33.9Very low33.9Very low161 Ų161152.1 Ų152.175%0.75279%0.794SS**  trans114.9141.4150.6-63.2-177.117.500115.8
179Q33.3Very low33.8Very low167 Ų167153.4 Ų153.478%0.7880%0.798SS**  cis-158.1159.6-20.4-119.3171.92800109.2
180L31.8Very low33.8Very low147 Ų147149.6 Ų149.677%0.7779%0.794SS**  trans-107.5162.5176.1-86160.2000111.3
181P36.6Very low33.7Very low124 Ų124147.5 Ų147.581%0.80579%0.787SS**  -142.2164.5108.937.3-23.9000115.5
182L28.5Very low33.5Very low138 Ų138151.9 Ų151.972%0.72379%0.789SS**  trans-100.8161.7178.5-59.476.2000111.9
183Q33.2Very low33.2Very low199 Ų199150.8 Ų150.893%0.9378%0.784SS**  -162.8-176.8126-112.7163.2106.400114.7
184Q32.6Very low33Very low185 Ų185152.1 Ų152.186%0.86479%0.787SS**  trans-107.4167.5-149.8-82.9178.5-19.100116
185P37.7Very low32.8Very low110 Ų110151.8 Ų151.871%0.71478%0.783SS**  trans-101.3169.6-172.840.1-36.4000114.7
186Y32.7Very low32.7Very low240 Ų240152.4 Ų152.494%0.94179%0.786SS**  trans-161159.8147.7-110.5-75.2000113
187H35.1Very low32.5Very low175 Ų175151.3 Ų151.381%0.8178%0.779SS**  trans-90-177.3179.3-98.7-81.1000112.5
188P40.6Very low32.6Very low97 Ų97151.4 Ų151.463%0.6378%0.783SS**  cis-138.1-166.8-2130.5-6.8000114.6
189E31.3Very low32.2Very low164 Ų164154 Ų15477%0.76679%0.787SS**  104.3114.4129.1-109.8-178.2159.600124.4
190T29.4Very low32Very low107 Ų107150.4 Ų150.466%0.65679%0.786SS**  trans84137.3138.527.40000125.5
191Q31.3Very low31.9Very low152 Ų152155 Ų15571%0.7179%0.794SS**  trans87.3106.8146.9-74.2175.96600121.9
192Q30.3Very low32Very low159 Ų159155 Ų15574%0.74379%0.794SS**  trans48.4127.3130.7-48.3178.919.200118.7
193Q31.8Very low32.2Very low167 Ų167153.1 Ų153.178%0.7880%0.797SS**  -163.8148.958.1-80-175.4-5.800114.3
194V30.4Very low32.2Very low145 Ų145149.1 Ų149.188%0.87979%0.791SS**  trans28.6127.7135.6-169.70000120.2
195G31.5Very low32.3Very low71 Ų71149.6 Ų149.673%0.73279%0.794SS**  trans165.778.2154.300000120.9
196Q31.3Very low31.9Very low190 Ų190149.2 Ų149.289%0.88879%0.793SS**  trans39.8101.6145.1-65.2-179.8-11.200122.3
197V28.4Very low32Very low125 Ų125149.1 Ų149.176%0.75879%0.793SS**  4.6131123.2-160.10000118.4
198I32Very low31.9Very low157 Ų157144.9 Ų144.981%0.80579%0.789SS**  179.1146.7121.4-92.3163.6000112.9
199Y26.7Very low31.9Very low214 Ų214146 Ų14684%0.83980%0.796SS**  trans-51.6148.2177.3-53.8-101.7000116.2
200A29.2Very low32.4Very low93 Ų93144 Ų14477%0.76980%0.797SS**  167.1134.497.700000116.8
201R29.8Very low32.6Very low244 Ų244142.7 Ų142.792%0.92181%0.805SS**  trans62.9150.5149.8-77.5-174169.7-175.3-3.9122.1
202P39.3Very low32.9Very low124 Ų124142.1 Ų142.181%0.80581%0.812SS**  trans-99.7166.2179.540.3-35.9000113.9
203A31.9Very low33Very low97 Ų97138.4 Ų138.480%0.80281%0.808SS**  trans-150.7137.5158.400000111.8
204S33Very low33.1Very low115 Ų115140.7 Ų140.780%0.80481%0.811SS**  trans-65.5154.8-176.9-36.80000114.5
205Q34.1Very low33.5Very low195 Ų195139.2 Ų139.291%0.91181%0.805SS**  trans-150.5142.1136.6-128.6162105.700112.1
206S29.7Very low33.4Very low102 Ų102141.3 Ų141.371%0.71380%0.803SS**  trans-100.9154.1-174.247.90000111.7
207Y34.6Very low33.4Very low238 Ų238140.9 Ų140.993%0.93380%0.802SS**  trans-138.1144.2153.9-105.4-84.9000110.3
208A34.1Very low33.8Very low87 Ų87138.5 Ų138.572%0.71980%0.795SS**PPolyproline II helixtrans-90160.8-169.900000112.7
209P39.5Very low33.8Very low121 Ų121138.8 Ų138.879%0.78679%0.793SS**PPolyproline II helixtrans-84.9154.9-171.734.1-36.4000113.7
210P43Very low34.2Very low121 Ų121137 Ų13779%0.78679%0.79SS**PPolyproline II helixtrans-85.7118.4162.433.1-29000110.5
211G32.3Very low34.3Very low79 Ų79138.1 Ų138.181%0.81479%0.787SS**PPolyproline II helixtrans-92.7133.7162.100000110.4
212T37.6Very low34.5Very low141 Ų141134.1 Ų134.187%0.86578%0.779SS**  trans-136.8133.6173.8-39.20000109.9
213A33.9Very low34.2Very low81 Ų81136.5 Ų136.567%0.66978%0.779SS**  trans-104156.3-177.200000112.7
214Y32Very low34.5Very low214 Ų214137.1 Ų137.184%0.83978%0.775SS**  trans14.6138.9145.2-69-73000119.4
215P38.7Very low34.6Very low114 Ų114138.5 Ų138.574%0.7477%0.773SS**  -153.5144.468.137.1-15.9000120.5
216T30.5Very low34.5Very low115 Ų115135.4 Ų135.471%0.70677%0.768SS**  54.2147.6125.2-34.20000123.6
217Q30.9Very low34.7Very low182 Ų182133.7 Ų133.785%0.8577%0.766SS**  trans85.1147.6168.6-48.4-171000115.5
218A36.3Very low34.5Very low75 Ų75128.5 Ų128.562%0.6276%0.76SS**  cis-142.5141.54.800000110.7
219Q32.2Very low34.5Very low163 Ų163132.1 Ų132.176%0.76277%0.766SS**  79.3153.797.2-68.1-175-18.600117.7
220F35.5Very low34.2Very low176 Ų176130.7 Ų130.777%0.77276%0.759SS**  trans71.4107-177.8-60.5-82.1000114.8
221T31.2Very low33.6Very low116 Ų116133.8 Ų133.871%0.71276%0.76SS**  cis88.3130.617-31.70000115.7
222Q35.2Very low33.7Very low161 Ų161138.2 Ų138.275%0.75276%0.76SS**  trans75.7157.3172.1-50.5-171.8116.400116.3
223Q32Very low33.7Very low174 Ų174136.6 Ų136.681%0.81375%0.752SS**  cis-161.4167-43.9-117.5-177.8-34.900107.9
224P38.1Very low33.7Very low109 Ų109137.8 Ų137.871%0.70875%0.751SS**  trans-104.5151.9-173.738.5-32.2000115.5
225D35.8Very low33.8Very low144 Ų144133.8 Ų133.877%0.7774%0.744SS**  trans-154.1138.8156.9-92.1-43.8000107.6
226T31.1Very low33.4Very low130 Ų130135.1 Ų135.180%0.79874%0.74SS**  cis87.5143.942.283.50000114.8
227G34.2Very low33.6Very low66 Ų66135.9 Ų135.968%0.6874%0.739SS**  trans95.3102.8-171.200000113.1
228T31.3Very low33.7Very low129 Ų129132.7 Ų132.779%0.79173%0.732SS**  cis86.7143.434.8-43.10000113.7
229L33Very low33.9Very low163 Ų163134.2 Ų134.285%0.85374%0.736SS**  trans79.3149.6178.3-50.2177.9000116
230S32.7Very low33.8Very low91 Ų91131.1 Ų131.164%0.63673%0.733SS**  cis-170141.2-22.252.10000112.8
231F30.5Very low33.8Very low186 Ų186128.4 Ų128.482%0.81674%0.735SS**  trans45.3113.9142.7-79.7-86.7000123.1
232Q34.5Very low33.8Very low173 Ų173131.4 Ų131.481%0.80874%0.741SS**  78.1162.2126.1-95.3-166.7-10.300120.4
233P39.1Very low34Very low106 Ų106128.6 Ų128.669%0.68874%0.737SS**  -140.9-140.3-119.745.9-24.6000114.3
234T32.3Very low34Very low107 Ų107127.6 Ų127.666%0.65674%0.736SS**  trans99.3133.8153.7-8.80000118.4
235N33.9Very low33.5Very low129 Ų129128.2 Ų128.269%0.6974%0.737SS**  trans70.1146153.9-68.8-24.5000118.7
236Q32.2Very low33.5Very low142 Ų142128.8 Ų128.866%0.66474%0.739SS**  cis-163.8166.1-17-127.4178.184.400110.8
237L33.5Very low33.5Very low131 Ų131130.6 Ų130.669%0.68674%0.738SS**  trans59.4107.4150.9-64.5169.7000121.4
238T33.7Very low33.6Very low115 Ų115132.2 Ų132.271%0.70674%0.737SS**  33.2161.3107.359.70000122.1
239P39.6Very low33.8Very low107 Ų107132.2 Ų132.270%0.69573%0.732SS**  cis-141.1-179.3-14.830.8-7.2000116.2
240S30Very low34Very low99 Ų99131.3 Ų131.369%0.69272%0.723SS**  trans45.8126.6141.463.20000122.9
241S36.4Very low34.2Very low118 Ų118133.6 Ų133.683%0.82572%0.724SS**  179.7156.1107-77.70000113.6
242Q31.7Very low34.5Very low179 Ų179130 Ų13084%0.83672%0.717SS**  trans-92.3-168.8162.3-45.3178.4-12.900109.5
243P38.1Very low34.5Very low102 Ų102127.1 Ų127.166%0.66271%0.707SS**  cis-124.1-165.1-25.729.7-8.8000110.7
244I33.1Very low34.4Very low153 Ų153129.4 Ų129.479%0.78571%0.708SS**  170.3140.1120.9-88.2158.9000112.8
245T26.9Very low34.5Very low122 Ų122129.8 Ų129.875%0.74871%0.711SS**  trans-86140.4176.1-55.70000112.5
246I34.7Very low34.5Very low157 Ų157128.5 Ų128.581%0.80571%0.708SS**  trans-136.8114.6155.1-59.3-176.6000110.2
247Q31.7Very low34.7Very low167 Ų167129.1 Ų129.178%0.7871%0.711SS**  trans-96.5169.5148.7-59.1-176-11.900107.9
248P37.5Very low34.9Very low100 Ų100129.5 Ų129.565%0.64971%0.709SS**  -155.3160.990.639.8-22.3000117
249N34Very low34.9Very low129 Ų129129.2 Ų129.269%0.6970%0.703SS**  trans65.5147.1149.2-69.7-25.3000117.8
250H38.6Very low34.8Very low145 Ų145132 Ų13267%0.67171%0.705SS**  cis-164.3174.114.6-123.211.1000108.2
251Q36.6Very low35Very low138 Ų138133 Ų13365%0.64570%0.702SS**  cis-160.6174.23.4-143.4-179.150.500110.6
252V35.6Very low35Very low110 Ų110135.5 Ų135.567%0.66770%0.701SS**  trans31.2128.7136.1159.40000119
253N34.4Very low34.9Very low113 Ų113131 Ų13160%0.60469%0.694SS**  cis-163.6158.132.5-140.23.2000115.6
254Q37.4Very low34.9Very low154 Ų154131.8 Ų131.872%0.7270%0.702SS**  trans33.8144.1138.2-77.6172.863.800122.9
255T35.3Very low34.7Very low115 Ų115134.6 Ų134.671%0.70670%0.703SS**  cis-178.6-175.6-2216.70000106.9
256T34.1Very low35Very low103 Ų103138 Ų13863%0.63271%0.708SS**  cis-165161.811.2-80000110.5
257Q35.7Very low35Very low154 Ų154138 Ų13872%0.7271%0.705SS**  trans68.6152.2152.9-69177.859.200118.7
258Q37.2Very low35.1Very low140 Ų140138.3 Ų138.365%0.65471%0.705SS**  cis-157.6146.11-133.2-173.172.100112.5
259N35.3Very low34.9Very low109 Ų109140.6 Ų140.658%0.58372%0.717SS**  trans58.7156.6150.7-75.9-30.8000120.7
260F36.2Very low34.8Very low166 Ų166138.7 Ų138.773%0.72871%0.714SS**  cis-147.3145.4-0.4-113.2-55.6000110.4
261N34.8Very low34.6Very low119 Ų119139.6 Ų139.664%0.63672%0.724SS**  trans16.4152.5135.1-69.8-13.5000121.9
262Q35.8Very low34.7Very low170 Ų170138.2 Ų138.279%0.79473%0.727SS**  cis-162.4-176.612.8-128.6165.857.700114.3
263A31.1Very low34.6Very low85 Ų85140.2 Ų140.270%0.70273%0.732SS**  trans-53162.5-178.600000116.9
264S36.3Very low34.8Very low118 Ų118141 Ų14183%0.82574%0.743SS**  -163.1165.986.9-73.30000115.3
265R29.7Very low34.6Very low213 Ų213138.5 Ų138.580%0.80474%0.743SS**  trans-145.3115.2-166.5177.3-155.3-155.7-1799.9112.3
266F33.8Very low34.6Very low194 Ų194137.8 Ų137.885%0.85174%0.743SS**  trans-143.2126.7162-70.5-83.7000107.1
267Q35Very low34.6Very low157 Ų157141.2 Ų141.273%0.73475%0.752SS**  cis86.7130.943.7-72.1-146.1-21.200115.8
268H32.1Very low34.3Very low172 Ų172140 Ų14080%0.79676%0.755SS**  trans-43.4144.1-175.9-62.2-105000117.5
269V34.4Very low34.5Very low148 Ų148138.7 Ų138.790%0.89776%0.758SS**  trans-136143.6135.6-176.50000108.2
270S32.4Very low34.4Very low89 Ų89142.3 Ų142.362%0.62277%0.772SS**  trans-113.5149.8178.3-52.30000110.8
271N33.5Very low34.4Very low165 Ų165143.1 Ų143.188%0.88278%0.775SS**  trans-173.6167.5142-99.7-13.3000113.3
272P39.2Very low34.4Very low109 Ų109145.6 Ų145.671%0.70878%0.783SS**  trans-113.2-176-147.343.4-38.5000117.8
273I32.3Very low34.2Very low152 Ų152143.9 Ų143.978%0.77978%0.784SS**  trans-53.1148.3180-53.2154.3000114.3
274P40.4Very low34.3Very low128 Ų128148 Ų14883%0.83179%0.789SS**  -124.1158.6127.237-32.1000113.2
275S31.6Very low34.1Very low103 Ų103147.6 Ų147.672%0.7278%0.777SS**  trans-108179.3-169.555.20000114.5
276S36.1Very low34.4Very low100 Ų100143.9 Ų143.970%0.69977%0.769SS**  trans82.7156.1-177.387.30000114.3
277Q34Very low34.4Very low175 Ų175142.7 Ų142.782%0.81877%0.766SS**  cis-151154.115.1-147.5158.3113.800112
278T29.8Very low34.4Very low129 Ų129138.7 Ų138.779%0.79176%0.76SS**  trans-100.6139.4179.9-47.50000111.6
279P42Very low34.5Very low111 Ų111141.1 Ų141.172%0.72176%0.764SS**  trans-98.6117.7163.827.9-15.9000111.8
280Q31.4Very low34.5Very low186 Ų186137.8 Ų137.887%0.86975%0.746SS**  trans-104.4132.1160.1-103.9-165.9-23.300109.4
281F36.6Very low34.3Very low182 Ų182141.6 Ų141.680%0.79876%0.755SS**  trans-148.6145.3167.9-82.8-93.2000108.8
282Q35.3Very low34.4Very low171 Ų171141.3 Ų141.380%0.79975%0.751SS**  cis-158.4154.1-32.5-151.4171.36.500107.5
283V31.5Very low33.9Very low135 Ų135144 Ų14482%0.81875%0.754SS**  trans-103.2125-176.9176.40000111.3
284Q32.9Very low34Very low172 Ų172142.6 Ų142.680%0.80476%0.758SS**  trans167.8154.7156-97166.65.600108.4
285N32.9Very low33.4Very low108 Ų108145.2 Ų145.258%0.57876%0.756SS**  cis-144.1132.914.3-99.8-34.3000110.2
286Q36.2Very low33.6Very low135 Ų135145.9 Ų145.963%0.63176%0.758SS**  72.4123.5105.1-68.9-172.671.200118.7
287Q34Very low33.3Very low170 Ų170149.2 Ų149.279%0.79476%0.763SS**  trans65.5141.5141.2-64.1170.419.900117.8
288A34.1Very low33.4Very low72 Ų72146 Ų14660%0.59576%0.758SS**  cis-158.2175.5-4.900000106.9
289Y34Very low33.4Very low224 Ų224148.1 Ų148.188%0.87876%0.762SS**  cis-142.518028.1-94.9-81.2000114.5
290S33.6Very low33Very low77 Ų77147.3 Ų147.354%0.53877%0.765SS.*  trans-83.8147.4-176.550.50000117
291Q29.6Very low32.9Very low170 Ų170147.1 Ų147.179%0.79476%0.764SS**  trans63.8146.6138.2-60171.734.700116.7
292I34.2Very low32.9Very low159 Ų159142.5 Ų142.582%0.81575%0.752SS**  -146.8139.753.3-80.6165.3000112.4
293Q29.8Very low32.7Very low165 Ų165145.4 Ų145.477%0.77176%0.758SS**  trans-49142.6165.7-56.3161.9-5.600114.2
294S34Very low32.7Very low122 Ų122144.3 Ų144.385%0.85375%0.751SS**  -174.6150.7114.447.20000112.3
295K28Very low32.6Very low183 Ų183142.1 Ų142.180%0.79676%0.755SS**  trans-128.6131.2170.2179.9-172.5-174.1-178.10106.9
296P35.2Very low32.5Very low118 Ų118144.2 Ų144.277%0.76676%0.761SS**  trans-120.8162.414828.9-15.7000111.9
297Q31.4Very low32.2Very low169 Ų169144.7 Ų144.779%0.7977%0.774SS**  trans-100.1174.1176.7-113-170.9-30.900110.6
298P35.7Very low32Very low109 Ų109141.8 Ų141.871%0.70876%0.763SS**  trans-87171.6-158.637-40.3000114.2
299I29.7Very low31.8Very low172 Ų172147.9 Ų147.988%0.88278%0.777SS**  trans-163.3162.3150.5-107152.3000110
300A32.2Very low31.7Very low95 Ų95142 Ų14279%0.78576%0.76SS**  trans77.6103.8170.800000119
301Q30.4Very low31.5Very low182 Ų182146.5 Ų146.585%0.8577%0.773SS**  trans-83.9-164.3145.4-43.7179.6-28.500108.6
302P37.2Very low31.6Very low85 Ų85145.1 Ų145.155%0.55277%0.77SS**  cis-130.2-175.6-17.637.8-20.8000112.7
303Y30.5Very low31.3Very low232 Ų232145.1 Ų145.191%0.9177%0.766SS**  -153.6146.3121.5-103.1-68.8000110
304T31.1Very low31.5Very low112 Ų112144.6 Ų144.669%0.68776%0.764SS**  trans-130.7151.8-17355.90000111.3
305S31.6Very low31.1Very low126 Ų126148.4 Ų148.488%0.88177%0.765SS**  trans-140.1139.1154.850.70000108.7
306Q29.1Very low31.2Very low151 Ų151144.9 Ų144.971%0.70676%0.761SS**  trans-126.3137.9-168.1-63.3177.1-12.900111.7
307T31.6Very low30.9Very low146 Ų146143.7 Ų143.790%0.89676%0.761SS**  trans-168.3102148.935.90000105.7
308N28.2Very low30.8Very low108 Ų108144.4 Ų144.458%0.57876%0.764SS**  cis81.376.823.1-16014.1000116.3
309F31.2Very low30.4Very low200 Ų200145.5 Ų145.588%0.87777%0.768SS**  trans-152.1100.9141.6-97.9-84.1000105.7
310N31.3Very low30.5Very low100 Ų100140.9 Ų140.954%0.53576%0.756SS.*  87.8107.572.2-95.1-34.4000114.4
311Q29.5Very low30.6Very low172 Ų172143.8 Ų143.880%0.80475%0.753SS**  trans67.9150.3147-54.516318.900115.5
312I31.6Very low30.6Very low141 Ų141139.5 Ų139.572%0.72374%0.743SS**  cis-136125.712.9-62.5168.4000106
313E28.9Very low30.3Very low160 Ų160141.2 Ų141.275%0.74875%0.752SS**  70.6148.283.5-136.6-179.9157.900117.3
314H33.3Very low30.2Very low154 Ų154141.5 Ų141.571%0.71375%0.752SS**  trans78.488.2170.6-54-51.5000122.1
315K26Very low30.2Very low201 Ų201141.1 Ų141.187%0.87475%0.754SS**  trans-62.4174.1130.7-96.5178.5178.5178.90111.2
316P30.5Very low30.1Very low109 Ų109139.1 Ų139.171%0.70875%0.745SS**  cis-141.8169.1-18.138-19.4000116.9
317A28.4Very low30.1Very low93 Ų93140.6 Ų140.677%0.76975%0.752SS**  trans58.4168137.100000124.8
318Q28.5Very low30Very low185 Ų185140.5 Ų140.586%0.86475%0.751SS**  trans88.887.2161.1-59.2-165.4-15.200121.7
319V28.2Very low30Very low131 Ų131142.1 Ų142.179%0.79476%0.76SS**  27.6124.4119.2-174.40000120
320A31Very low30Very low76 Ų76140.1 Ų140.163%0.62876%0.759SS**  trans-160.2155.8144.300000112.1
321H34Very low29.9Very low156 Ų156141.7 Ų141.772%0.72277%0.767SS**  trans-112172.4-174.7-83-118.8000114.4
322S31.7Very low30.1Very low92 Ų92143 Ų14364%0.64377%0.773SS**  trans93.7109.1130.353.20000123.7
323T31.3Very low30Very low121 Ų121142.2 Ų142.274%0.74277%0.774SS**  82.2105.6104.3-53.30000122.8
324W28.4Very low30.3Very low237 Ų237142.5 Ų142.590%0.89878%0.78SS**  84.4128.1129-87.448.4000126.2
325S30.1Very low30.3Very low105 Ų105140.3 Ų140.373%0.73477%0.773SS**  97.7173.5120.576.20000123
326A30Very low30.8Very low84 Ų84138.2 Ų138.269%0.69477%0.771SS**  trans65.6109.3-169.700000115.7
327Q28Very low30.9Very low182 Ų182143.5 Ų143.585%0.8578%0.777SS**  72.6118.458.5-68.7-176.1-31.200115.6
328T29.8Very low31.2Very low143 Ų143142.3 Ų142.388%0.87777%0.774SS**  -172.7160.8113.521.30000112.3
329N29.1Very low31.7Very low143 Ų143143.9 Ų143.977%0.76578%0.778SS**  trans-78.4163.2-174.5-52.4-50000112.9
330N31.3Very low31.8Very low158 Ų158146.1 Ų146.185%0.84578%0.78SS**  -162.5155.8107.9-106.2-40.8000115.9
331N29.3Very low32.1Very low132 Ų132150.1 Ų150.171%0.70679%0.785SS**  trans-69.5157.3-176.8-55.6-54.1000113.6
332Q33.1Very low32.2Very low200 Ų200149.4 Ų149.494%0.93578%0.782SS**  -159164.4110-111.1167.577.900113.8
333V29.4Very low32.2Very low124 Ų124155.1 Ų155.175%0.75279%0.791SS**  trans-118.4136.5-164.41740000110.7
334I35Very low32.1Very low167 Ų167156.6 Ų156.686%0.85679%0.789SS**  trans-136.1123.5154.1-59.1-176.6000108.5
335D34.2Very low32.3Very low107 Ų107152.2 Ų152.257%0.57278%0.779SS**  trans-94.5150.8170.9176.824.8000109.8
336N35.8Very low32.4Very low158 Ų158154.8 Ų154.885%0.84578%0.78SS**  trans-162143.5153-114.9-48.4000113.6
337R31.6Very low32.4Very low220 Ų220159.4 Ų159.483%0.8379%0.787SS**  trans-108.3150.1-167.4-60.6174.5179.3-179.5-3.9113.8
338G35.7Very low32.5Very low68 Ų68159.4 Ų159.470%0.70179%0.787SS**  118.8125.8122.500000118.7
339K37.9Very low32.6Very low217 Ų217158.3 Ų158.394%0.94378%0.782SS**  -170.8159.3103.5-95.7166.3-176-179.10111.2
340Q31.4Very low32.7Very low178 Ų178157.9 Ų157.983%0.83278%0.784SS**  trans-131.3-173.1179.6-76.6-172.1-17.700109.9
341Q36.6Very low32.5Very low160 Ų160159.1 Ų159.175%0.74879%0.785SS**  trans81.8142.2166.6-61.2178.10.300115.4
342H36.5Very low32.5Very low142 Ų142158.7 Ų158.766%0.65779%0.787SS**  cis-145173.4-10.2-102.1-59.5000106.3
343Y31Very low32.4Very low212 Ų212159.7 Ų159.783%0.83178%0.784SS**  cis-161167.443.7-128.5-81.3000111.6
344Q30Very low32.3Very low151 Ų151161.6 Ų161.671%0.70679%0.785SS**  trans-82.4-176.1166-56.4175.2-22.800110.2
345Q31.8Very low31.9Very low146 Ų146161.9 Ų161.968%0.68278%0.782SS**  cis-166.9174.825.7-140.8176.369.400106
346Q32.5Very low31.7Very low159 Ų159163 Ų16374%0.74379%0.793SS**  cis-143.9-168.919.6-67.6-171.9-23.600111.3
347Q30.3Very low31.4Very low181 Ų181163.3 Ų163.385%0.84679%0.789SS**  trans-138.3151.4166.5-55.4172.212.800109.2
348Q31.1Very low31.1Very low181 Ų181158.9 Ų158.985%0.84679%0.787SS**  trans-158.4132.3145-75.2-152.535.100111.2
349P30.2Very low30.8Very low121 Ų121163.5 Ų163.579%0.78680%0.795SS**  trans-108.1152.1167.737.7-29.9000112.6
350V31.8Very low30.4Very low133 Ų133161.5 Ų161.581%0.80679%0.789SS**  trans-137.7126.1173179.80000111
351Q26.6Very low30.3Very low184 Ų184160.9 Ų160.986%0.8679%0.791SS**  trans-87.1154.8169.4-57.4170-14.200110.2
352T30.8Very low29.8Very low123 Ų123159.1 Ų159.176%0.75579%0.787SS**  trans-165.6111.6148.7-91.20000115
353Y29.4Very low29.5Very low221 Ų221158.8 Ų158.887%0.86780%0.795SS**  trans67.4156143.2-73.3-102.1000124.1
354Q27.7Very low29.3Very low164 Ų164156.3 Ų156.377%0.76679%0.791SS**  trans-121.3-173-179.8-63.2179.9-13.700110.5
355Q27.5Very low29.4Very low173 Ų173156.4 Ų156.481%0.80880%0.796SS**  trans79.7147.2174.6-48.7179.71200111.7
356V30.3Very low29.3Very low132 Ų132155.2 Ų155.280%0.880%0.799SS**  cis-133.1165.143.1169.90000114.4
357Q28.1Very low29.3Very low164 Ų164155 Ų15577%0.76680%0.802SS**  trans-60.3157.9-172.3-64.2146.8-26.500117.8
358T25.7Very low29.5Very low126 Ų126152.3 Ų152.377%0.77380%0.8SS**  trans-8142.4150.156.80000119.8
359N30.7Very low29.7Very low165 Ų165148.3 Ų148.388%0.88279%0.79SS**  trans-150.3148.9137.9-117.6-32.3000112.5
360Q28.1Very low29.6Very low175 Ų175150 Ų15082%0.81879%0.791SS**  trans-115.6130.1177.7-55.817527.900110.1
361L29.1Very low29.4Very low165 Ų165149.5 Ų149.586%0.86479%0.788SS**  trans-174.7117.2154.6-101.3135.8000106.9
362N26.4Very low29.5Very low124 Ų124146.6 Ų146.666%0.66379%0.788SS**  cis87.585.942-17538.3000114.7
363T31.7Very low29.6Very low135 Ų135146.3 Ų146.383%0.82879%0.791SS**  trans-165.5108.2149.824.80000106.8
364Q26.6Very low29.5Very low160 Ų160145 Ų14575%0.74879%0.793SS**  46.6106.284.7-67.5-166.2-2.900115.5
365N30.8Very low29.7Very low153 Ų153140.5 Ų140.582%0.81879%0.79SS**  -173.2110.4121.8-96.3-38.4000114.6
366T31.1Very low29.9Very low121 Ų121141.7 Ų141.774%0.74279%0.793SS**  60.196.9126.9-40.70000122.1
367L31.4Very low29.9Very low154 Ų154142.7 Ų142.781%0.80679%0.794SS**  14.7139.8128.8-66.9171.7000119.8
368P34.3Very low30.3Very low124 Ų124143 Ų14381%0.80580%0.795SS**  -143.6177.473.436.8-17.6000116.9
369P35.9Very low30.6Very low97 Ų97145.8 Ų145.863%0.6380%0.8SS**  trans-121.2-178.9-163.843-31.2000116.5
370I27.1Very low30.6Very low157 Ų157144.9 Ų144.981%0.80580%0.799SS**  trans75.8140.7171.8-44.8157.4000110.5
371V27.8Very low30.7Very low122 Ų122141.7 Ų141.774%0.73979%0.794SS**  -158.7140.462.8171.30000111.3
372S29.9Very low30.9Very low124 Ų124145 Ų14587%0.86780%0.795SS**  trans-80.6122.7162.6-44.80000110.3
373S31.5Very low31Very low116 Ų116150.6 Ų150.681%0.81181%0.807SS**  trans-118.5138.3178.855.90000112.8
374Q28.4Very low31Very low195 Ų195153.7 Ų153.791%0.91181%0.809SS**  trans-100.2152.8-179.3-58.9169.2-63.700110.8
375G30.4Very low31.3Very low68 Ų68151.8 Ų151.870%0.70181%0.811SS**  trans75.9123.2137.300000118.9
376F31.7Very low31.3Very low198 Ų198150.5 Ų150.587%0.86881%0.814SS**  trans-126.179.1146.9-109-85.1000109.1
377D31.1Very low31.2Very low154 Ų154148.3 Ų148.382%0.82482%0.815SS**  trans-98.6131.5166.7-140.2-27.7000107.2
378Q37.2Very low31.3Very low170 Ų170147.9 Ų147.979%0.79481%0.814SS**  trans-125.7127.9173.3-90-16742.400111.9
379Q30.5Very low31.1Very low185 Ų185150 Ų15086%0.86481%0.813SS**  trans-85.3140.7-163.7-54.5162.32.600112.1
380V31.1Very low30.8Very low145 Ų145150.6 Ų150.688%0.87982%0.82SS**  trans-137.9133.5147.5-1730000108.2
381P31.4Very low30.9Very low109 Ų109151.4 Ų151.471%0.70882%0.817SS**  trans-106.3157.4-153.639-37.1000117.6
382R33.2Very low30.9Very low235 Ų235155.3 Ų155.389%0.88783%0.827SS**  trans31.7126.1152.9-55.5-172.6-160.3-137.59.7119.6
383R27.1Very low30.8Very low240 Ų240157 Ų15791%0.90683%0.825SS**  -174.9140.2100.6-98.1172.5-168.6-152.83.2111.5
384F33.5Very low30.6Very low201 Ų201161.1 Ų161.188%0.88283%0.828SS**  trans-75.5149.6162.4-72.9-89.4000110.2
385P31.9Very low30.6Very low120 Ų120157.6 Ų157.678%0.77982%0.82SS**  -131.6127.7129.334.1-24000111.9
386S30.8Very low30.6Very low125 Ų125163.6 Ų163.687%0.87483%0.827SS**  trans-69.9130.9162.3-49.40000108.9
387G29.7Very low30.5Very low76 Ų76159 Ų15978%0.78482%0.819SS**  trans-176.998.8-179.300000112.7Q389G387-Q389 PolarHBondContact O-N 3.2Å
388D32.8Very low30.3Very low145 Ų145159.4 Ų159.478%0.77582%0.821SS**  trans-68.3116.6172.3171.726.4000110.9S390D388-S390 PolarHBondContact OD1-N 3.35Å
389Q30.3Very low29.9Very low168 Ų168155.8 Ų155.879%0.78581%0.812SS**  trans-14595.9149.3-73.6-157.425.700110.7G387 K391G387-Q389 PolarHBondContact O-N 3.2Å; Q389-K391 PolarHBondContact O-N 3.23Å
390S29.8Very low29.8Very low110 Ų110156.1 Ų156.177%0.76982%0.816SS**  trans-64.394.4172.760.40000113.1D388D388-S390 PolarHBondContact OD1-N 3.35Å
391K28.9Very low29.8Very low174 Ų174159.4 Ų159.476%0.75781%0.812SS**  trans-138.4103168.7-100.2171.5-174164.50113.5Q389 I393Q389-K391 PolarHBondContact O-N 3.23Å; K391-I393 PolarHBondContact O-N 3.43Å; K391-I393 VanDerWaalsContact O-N 3.16Å
392Q27.1Very low29.8Very low203 Ų203160.1 Ų160.195%0.94981%0.81SS**  trans3.889.3160.1-63.5178.2-9.200116.8
393I28.9Very low29.6Very low160 Ų160155 Ų15582%0.82181%0.81SS**  trans-95.1128.4157.8-66.5-177000108.9K391 V395K391-I393 PolarHBondContact O-N 3.43Å; K391-I393 VanDerWaalsContact O-N 3.16Å; I393-V395 VanDerWaalsContact C-N 3.32Å; I393-V395 PolarHBondContact O-N 3.49Å
394K26.4Very low29.8Very low202 Ų202148.3 Ų148.388%0.87880%0.796SS**  trans-77.376.3-167.8-167.3174-173.6171.90111.1K396K394-K396 PolarHBondContact O-N 3.09Å
395V29.1Very low29.5Very low121 Ų121142.5 Ų142.573%0.73378%0.78SS**  trans-49.7124.9161.6-179.90000106.9I393 S397I393-V395 VanDerWaalsContact C-N 3.32Å; I393-V395 PolarHBondContact O-N 3.49Å; V395-S397 PolarHBondContact O-N 2.9Å
396K30.1Very low29.9Very low195 Ų195143.9 Ų143.985%0.84878%0.78SS**  trans-68.690.3167-77.8-178.6177.7176.20106.7K394 L398K394-K396 PolarHBondContact O-N 3.09Å; K396-L398 PolarHBondContact O-N 3.1Å
397S28.9Very low29.8Very low101 Ų101144.7 Ų144.771%0.70677%0.774SS**  trans-52.4113.6158.137.90000106.8V395 P399V395-S397 PolarHBondContact O-N 2.9Å; S397-P399 VanDerWaalsContact O-N 3.14Å
398L28.1Very low30.1Very low163 Ų163143.3 Ų143.385%0.85376%0.759SS**  trans-49.5121.4157-76.7156.4000105.1K396 M400K396-L398 PolarHBondContact O-N 3.1Å; L398-M400 PolarHBondContact O-N 2.98Å; L398-M400 VanDerWaalsContact O-N 3.09Å
399P28.8Very low30.8Very low94 Ų94140.2 Ų140.261%0.6174%0.742SS**  trans-60.1125.3-173.922.7-31.9000107.9S397 R401S397-P399 VanDerWaalsContact O-N 3.14Å; P399-R401 HydrophobicContact CB-CB 4.28Å; P399-R401 HydrophobicContact CG-CB 4.38Å; P399-R401 WeakPolarHBondContact O-CB 3.32Å; P399-R401 PolarHBondContact O-N 2.69Å
400M28.7Very low31.9Very low192 Ų192138.3 Ų138.395%0.94674%0.738SS**  trans-59.682.7156.2-84-79.917700105.9L398 N402L398-M400 PolarHBondContact O-N 2.98Å; L398-M400 VanDerWaalsContact O-N 3.09Å; M400-N402 VanDerWaalsContact C-N 3.25Å; M400-N402 PolarHBondContact O-N 3.15Å
401R29.6Very low33.3Very low213 Ų213134.6 Ų134.680%0.80471%0.712SS**  trans-83.979.1-158.3-166.8176.2-173.6170.81.3109.6P399P399-R401 HydrophobicContact CB-CB 4.28Å; P399-R401 HydrophobicContact CG-CB 4.38Å; P399-R401 WeakPolarHBondContact O-CB 3.32Å; P399-R401 PolarHBondContact O-N 2.69Å
402N31.9Very low35.3Very low124 Ų124131.3 Ų131.366%0.66371%0.71SS**  trans65.2105.1-179.5-53.15000112.4M400 V404M400-N402 VanDerWaalsContact C-N 3.25Å; M400-N402 PolarHBondContact O-N 3.15Å; N402-V404 HydrophobicContact CB-CG2 3.44Å; N402-V404 VanDerWaalsContact CB-CG2 3.44Å; N402-V404 PolarHBondContact O-N 2.94Å
403S29.6Very low37.9Very low127 Ų127122.5 Ų122.589%0.88867%0.674SS**  trans-58.981133.951.80000108S405S403-S405 PolarHBondContact O-N 2.81Å
404V31.6Very low40.7Very low101 Ų101118.8 Ų118.861%0.61266%0.66SS**  trans-65.6123.1169.7-1770000106.3N402 I406N402-V404 HydrophobicContact CB-CG2 3.44Å; N402-V404 VanDerWaalsContact CB-CG2 3.44Å; N402-V404 PolarHBondContact O-N 2.94Å; V404-I406 PolarHBondContact O-N 3.41Å
405S27.3Very low43.8Very low79 Ų79109.5 Ų109.555%0.55262%0.621SS**  trans-61.4120.1165.547.10000107.8S403 D407S403-S405 PolarHBondContact O-N 2.81Å; S405-D407 WeakPolarHBondContact CB-OD2 3.48Å; S405-D407 PolarHBondContact O-N 3.39Å; S405-D407 PolarHBondContact OG-OD2 2.89Å
406I38.8Very low46.9Very low149 Ų149109.9 Ų109.976%0.76462%0.615SS**  trans-81.266.4177.3-53.5-175.9000107.9V404 G408V404-I406 PolarHBondContact O-N 3.41Å; I406-G408 VanDerWaalsContact C-N 3.29Å; I406-G408 PolarHBondContact O-N 3.37Å
407D29.7Very low49.8Very low142 Ų142101 Ų10176%0.75958%0.576SS**  trans-7384.7170.7-60.2-54.9000107.9S405S405-D407 WeakPolarHBondContact CB-OD2 3.48Å; S405-D407 PolarHBondContact O-N 3.39Å; S405-D407 PolarHBondContact OG-OD2 2.89Å
408G35.6Very low52.8Low46 Ų4699.2 Ų99.247%0.47456%0.56SS.*  trans152.573.8-173.500000112I406 D410I406-G408 VanDerWaalsContact C-N 3.29Å; I406-G408 PolarHBondContact O-N 3.37Å; G408-D410 PolarHBondContact O-N 3.27Å; G408-D410 VanDerWaalsContact O-N 3.17Å
409I46.7Very low55.8Low80 Ų8094.9 Ų94.941%0.4154%0.541SS..  trans-81.295.4169.2-50.9176.6000107.8S411 R797 R801I409-S411 WeakPolarHBondContact CG2-OG 3.46Å; I409-S411 PolarHBondContact O-N 2.86Å; I409-R797 HydrophobicContact CD1-CG 4.28Å; I409-R801 PolarHBondContact O-NH2 3.38Å
410D55.1Low58.9Low129 Ų12994.6 Ų94.669%0.6953%0.531SS*.  trans-7178.3164.1-64.5-33.6000108.8G408 S412 P441G408-D410 PolarHBondContact O-N 3.27Å; G408-D410 VanDerWaalsContact O-N 3.17Å; D410-S412 PolarHBondContact O-N 3.39Å; D410-P441 WeakPolarHBondContact O-CB 3.44Å
411S58.9Low61.8Low32 Ų3285.7 Ų85.722%0.22449%0.487CS..  trans-75.81.1172.9-41.50000113.1I409 R797I409-S411 WeakPolarHBondContact CG2-OG 3.46Å; I409-S411 PolarHBondContact O-N 2.86Å; S411-R797 VanDerWaalsContact OG-CZ 3.29Å; S411-R797 PolarHBondContact OG-NH1 2.84Å; S411-R797 PolarHBondContact OG-NH2 2.9Å
412S70Confident64.5Low104 Ų10480.1 Ų80.173%0.72748%0.477SS*.  trans-139.9113.7-157.5167.40000111.5D410D410-S412 PolarHBondContact O-N 3.39Å
413G81.5Confident67.1Low19 Ų1976.6 Ų76.620%0.19647%0.47CS..SBendtrans163.1166.9173.700000110.6N494G413-N494 PolarHBondContact O-ND2 2.89Å
414P88.7Confident69.9Low81 Ų8176.4 Ų76.453%0.52646%0.455SS..SBendtrans-60.3159.6164.130.2-35.6000110.1Q496P414-Q496 HydrophobicContact CB-CB 4.46Å
415P92Very high72.7Confident7 Ų773.5 Ų73.55%0.04544%0.436CS..  trans-61.3147.2173.628.8-34.8000110.2V439 R440 L447 A492 N494 G497 D499P415-V439 HydrophobicContact CB-CG2 3.95Å; P415-R440 CarbonylContact C-O 3.48Å; P415-R440 VanDerWaalsContact CA-O 3.28Å; P415-R440 WeakPolarHBondContact CA-O 3.42Å; P415-L447 HydrophobicContact CB-CD1 4Å; P415-A492 HydrophobicContact CB-CB 3.93Å; P415-A492 VanDerWaalsContact CG-O 3.25Å; P415-A492 WeakPolarHBondContact CG-O 3.38Å; P415-N494 VanDerWaalsContact CD-OD1 3.3Å; P415-N494 WeakPolarHBondContact CD-OD1 3.43Å; P415-G497 VanDerWaalsContact CD-C 3.48Å; P415-G497 WeakPolarHBondContact CD-O 3.29Å; P415-D499 HydrophobicContact CB-CB 4.17Å; P415-D499 HydrophobicContact CG-CB 3.95Å; P415-D499 VanDerWaalsContact O-CB 3.32Å; P415-D499 WeakPolarHBondContact O-CB 3.26Å
416Q92.4Very high75.7Confident130 Ų13073.2 Ų73.261%0.60743%0.431SS*.EExtended strand (participates in β ladder)trans-145.9121.7172.6-173.6178.538.800110V418 V439 R440 D499Q416-V418 PolarHBondContact O-N 3Å; Q416-V439 CarbonylContact O-C 3.28Å; Q416-V439 WeakPolarHBondContact O-CA 3.37Å; Q416-R440 PolarHBondContact N-O 3.35Å; Q416-R440 PolarHBondContact O-N 3.28Å; Q416-D499 VanDerWaalsContact CA-OD2 3.28Å; Q416-D499 WeakPolarHBondContact CA-OD2 3.39Å
417F92.2Very high78.1Confident9 Ų967.3 Ų67.34%0.03940%0.401CS..EExtended strand (participates in β ladder)trans-68.5119.7169-75.2-78.2000111H420 A437 R438 V439 C490 A492 D499 S501F417-H420 VanDerWaalsContact CB-CE1 3.43Å; F417-H420 WeakPolarHBondContact CB-CE1 3.48Å; F417-H420 VanDerWaalsContact CB-ND1 3.3Å; F417-H420 WeakPolarHBondContact CB-ND1 3.38Å; F417-A437 HydrophobicContact CD1-CB 4.06Å; F417-A437 HydrophobicContact CE1-CB 3.87Å; F417-R438 CarbonylContact C-O 3.48Å; F417-R438 WeakPolarHBondContact CA-O 3.33Å; F417-V439 HydrophobicContact CD1-CB 4.08Å; F417-V439 HydrophobicContact CE1-CB 4.08Å; F417-C490 WeakPolarHBondContact CE1-SG 3.3Å; F417-C490 WeakPolarHBondContact CE2-O 3.39Å; F417-C490 HydrophobicContact CZ-CB 4.31Å; F417-C490 WeakPolarHBondContact CZ-O 3.44Å; F417-C490 VanDerWaalsContact CZ-SG 3.51Å; F417-A492 HydrophobicContact CE2-CB 3.8Å; F417-A492 HydrophobicContact CZ-CB 3.73Å; F417-D499 HydrophobicContact CD2-CB 4.39Å; F417-D499 WeakPolarHBondContact CD2-OD2 3.36Å; F417-D499 PolarHBondContact N-OD2 2.98Å; F417-S501 VanDerWaalsContact CE2-N 3.34Å
418V91.8Very high80.8Confident62 Ų6262.9 Ų62.938%0.37638%0.383SS..EExtended strand (participates in β ladder)trans-97.4-26176.6-177.10000111Q416 R438 R440Q416-V418 PolarHBondContact O-N 3Å; V418-R438 PolarHBondContact N-O 3.37Å; V418-R440 HydrophobicContact CG2-CB 4.09Å; V418-R440 HydrophobicContact CG2-CG 3.76Å
419V91.5Very high83.2Confident72 Ų7261.7 Ų61.744%0.43637%0.366SS..EExtended strand (participates in β ladder)trans-131.5122.2166.7-176.10000106.5A437 R438V419-A437 CarbonylContact O-C 3.58Å; V419-A437 WeakPolarHBondContact O-CA 3.34Å; V419-R438 HydrophobicContact CB-CB 3.74Å; V419-R438 HydrophobicContact CG2-CB 3.92Å; V419-R438 PolarHBondContact N-O 2.91Å; V419-R438 PolarHBondContact O-N 2.94Å
420H92.9Very high85Confident88 Ų8860 Ų6041%0.40737%0.369SS..PPolyproline II helixtrans-92.6163.2171.6-49.3-80.3000110.2F417 S502F417-H420 VanDerWaalsContact CB-CE1 3.43Å; F417-H420 WeakPolarHBondContact CB-CE1 3.48Å; F417-H420 VanDerWaalsContact CB-ND1 3.3Å; F417-H420 WeakPolarHBondContact CB-ND1 3.38Å; H420-S502 WeakPolarHBondContact CB-OG 3.36Å
421P89.9Confident86.6Confident5 Ų559.4 Ų59.43%0.03236%0.362CS..PPolyproline II helixtrans-50.2153.3167.8-29.938.7000113.9G423 I435 T436 A437 W451 S501 C504P421-G423 PolarHBondContact O-N 2.89Å; P421-I435 HydrophobicContact CB-CG2 3.74Å; P421-I435 HydrophobicContact CG-CG2 4.16Å; P421-T436 WeakPolarHBondContact CA-O 3.38Å; P421-A437 HydrophobicContact CG-CB 4.16Å; P421-W451 HydrophobicContact CG-CH2 4.37Å; P421-W451 HydrophobicContact CG-CZ3 4.31Å; P421-S501 VanDerWaalsContact CD-CB 3.48Å; P421-S501 WeakPolarHBondContact CD-OG 3.38Å; P421-C504 HydrophobicContact CB-CB 3.65Å
422V87.4Confident88.1Confident96 Ų9661.7 Ų61.758%0.58238%0.376SS*.PPolyproline II helixtrans-62.7122.2174.5-1740000108.7Q424 C504V422-Q424 WeakPolarHBondContact CG1-O 3.05Å; V422-Q424 PolarHBondContact O-N 2.83Å; V422-C504 VanDerWaalsContact O-CA 3.28Å; V422-C504 WeakPolarHBondContact O-CA 3.17Å; V422-C504 WeakPolarHBondContact O-CB 3.24Å; V422-C504 PolarHBondContact O-SG 2.74Å
423G84.8Confident89.1Confident50 Ų5057.1 Ų57.152%0.51534%0.344SS..SBendtrans-58.7-25.5-168.800000115.9P421 H505P421-G423 PolarHBondContact O-N 2.89Å; G423-H505 PolarHBondContact O-N 3.49Å
424Q88.7Confident89.7Confident123 Ų12360.5 Ų60.558%0.57536%0.357SS*.EExtended strand (participates in β ladder)trans-143.8139.6170.5-173.9177.6-0.800109.8V422 H505V422-Q424 WeakPolarHBondContact CG1-O 3.05Å; V422-Q424 PolarHBondContact O-N 2.83Å; Q424-H505 CarbonylContact C-O 3.48Å; Q424-H505 WeakPolarHBondContact CA-O 3.29Å; Q424-H505 HydrophobicContact CG-CB 4.49Å
425L90Very high89.9Confident40 Ų4056.8 Ų56.821%0.20933%0.333CS..EExtended strand (participates in β ladder)trans-132.9130.9179.1-17758.2000108.5I427 I435 H505 V506 T507L425-I427 HydrophobicContact CD1-CD1 3.91Å; L425-I427 HydrophobicContact CD1-CG1 4.14Å; L425-I427 HydrophobicContact CD2-CD1 3.81Å; L425-I427 HydrophobicContact CG-CD1 3.68Å; L425-I427 HydrophobicContact CG-CG1 4.04Å; L425-I435 HydrophobicContact CD2-CG1 4.14Å; L425-H505 PolarHBondContact N-O 3.39Å; L425-V506 HydrophobicContact CB-CG2 4.39Å; L425-V506 HydrophobicContact CD2-CG2 4.45Å; L425-V506 WeakPolarHBondContact O-CA 3.48Å; L425-T507 PolarHBondContact O-N 2.95Å
426T90.6Very high90Very high74 Ų7459.2 Ų59.245%0.45435%0.348SS..EExtended strand (participates in β ladder)trans-131.8121-177.2-56.40000110.4T507 I509T426-T507 VanDerWaalsContact CA-O 3.26Å; T426-T507 WeakPolarHBondContact CA-O 3.41Å; T426-I509 HydrophobicContact CG2-CD1 3.8Å; T426-I509 HydrophobicContact CG2-CG1 3.91Å
427I89.2Confident90.1Very high25 Ų2553.1 Ų53.113%0.12832%0.32CS..EExtended strand (participates in β ladder)trans-140.1150-164-66.8-177.3000108.6L425 E431 A433 M480 T507 I508 I509L425-I427 HydrophobicContact CD1-CD1 3.91Å; L425-I427 HydrophobicContact CD1-CG1 4.14Å; L425-I427 HydrophobicContact CD2-CD1 3.81Å; L425-I427 HydrophobicContact CG-CD1 3.68Å; L425-I427 HydrophobicContact CG-CG1 4.04Å; I427-E431 HydrophobicContact CG2-CB 3.77Å; I427-A433 HydrophobicContact CD1-CB 3.29Å; I427-M480 HydrophobicContact CG2-CG 4.44Å; I427-T507 PolarHBondContact N-O 2.81Å; I427-I508 CarbonylContact O-C 3.58Å; I427-I508 WeakPolarHBondContact O-CA 3.37Å; I427-I509 PolarHBondContact O-N 3.27Å
428A86.5Confident90.2Very high48 Ų4856.2 Ų56.240%0.39733%0.331SS..EExtended strand (participates in β ladder)trans-80.3150.2174.200000110.9E431 I509A428-E431 HydrophobicContact CB-CG 4.24Å; A428-E431 WeakPolarHBondContact O-CB 3.31Å; A428-E431 PolarHBondContact O-N 3.15Å; A428-I509 WeakPolarHBondContact CA-O 3.41Å
429E85.8Confident90.2Very high21 Ų2153.2 Ų53.210%0.09831%0.313CS..THydrogen-bonded Turntrans-56.2143.3172.5-174.7159.7-132.800111.7E431 E482 I508 I509 T516E429-E431 PolarHBondContact O-N 2.83Å; E429-E482 PolarHBondContact OE1-N 3.2Å; E429-I508 HydrophobicContact CB-CG2 4.13Å; E429-I509 PolarHBondContact N-O 2.68Å; E429-T516 VanDerWaalsContact OE1-CG2 3.3Å; E429-T516 WeakPolarHBondContact OE1-CG2 3.43Å
430G84.3Confident90.2Very high46 Ų4655.8 Ų55.847%0.47432%0.315SS..THydrogen-bonded Turntrans81.3-21.8-175.400000115.6Y479 M480G430-Y479 VanDerWaalsContact O-CB 3.3Å; G430-Y479 WeakPolarHBondContact O-CB 3.29Å; G430-M480 PolarHBondContact N-O 3.44Å
431E89Confident89.9Confident116 Ų11652 Ų5254%0.54230%0.299SS..  trans-73.5148.3178.8-75.4-76.2133.700112.4I427 A428 E429 M480I427-E431 HydrophobicContact CG2-CB 3.77Å; A428-E431 HydrophobicContact CB-CG 4.24Å; A428-E431 WeakPolarHBondContact O-CB 3.31Å; A428-E431 PolarHBondContact O-N 3.15Å; E429-E431 PolarHBondContact O-N 2.83Å; E431-M480 PolarHBondContact O-N 3.3Å
432P91.1Very high89.4Confident80 Ų8053.5 Ų53.552%0.51931%0.311SS..  trans-73.7157.217331.9-35.6000111.8F477P432-F477 WeakPolarHBondContact CA-O 3.4Å; P432-F477 WeakPolarHBondContact CB-O 3.13Å
433A91.6Very high88.8Confident7 Ų750.6 Ų50.66%0.05830%0.301CS..EExtended strand (participates in β ladder)trans-149.1143-174.500000112.2I427 F477 M480I427-A433 HydrophobicContact CD1-CB 3.29Å; A433-F477 HydrophobicContact CB-CB 4.24Å; A433-F477 PolarHBondContact N-O 2.98Å; A433-F477 VanDerWaalsContact N-O 3.09Å; A433-F477 PolarHBondContact O-N 3.45Å; A433-M480 HydrophobicContact CB-CE 3.53Å; A433-M480 HydrophobicContact CB-CG 3.8Å; A433-M480 HydrophobicContact CB-SD 4.48Å
434N92.9Very high88.7Confident90 Ų9049.7 Ų49.748%0.48128%0.284SS..EExtended strand (participates in β ladder)trans-126.4150168.292.313.7000113.4L475 D476N434-L475 CarbonylContact C-O 3.59Å; N434-L475 WeakPolarHBondContact CA-O 3.22Å; N434-D476 WeakPolarHBondContact CB-OD1 3.35Å
435I93.9Very high88.4Confident4 Ų447.8 Ų47.82%0.02128%0.284CS..EExtended strand (participates in β ladder)trans-129.4122.2177.3-50.2-177.9000106.1P421 L425 W451 V474 L475 F477 Y488 C504 V506P421-I435 HydrophobicContact CB-CG2 3.74Å; P421-I435 HydrophobicContact CG-CG2 4.16Å; L425-I435 HydrophobicContact CD2-CG1 4.14Å; I435-W451 HydrophobicContact CB-CH2 4.22Å; I435-W451 HydrophobicContact CB-CZ3 4.28Å; I435-W451 HydrophobicContact CG2-CH2 3.84Å; I435-W451 HydrophobicContact CG2-CZ3 3.75Å; I435-V474 WeakPolarHBondContact O-CA 3.3Å; I435-L475 HydrophobicContact CB-CB 4.44Å; I435-L475 HydrophobicContact CD1-CD2 4.33Å; I435-L475 PolarHBondContact N-O 3.4Å; I435-L475 PolarHBondContact O-N 3Å; I435-F477 HydrophobicContact CD1-CE2 4.44Å; I435-Y488 HydrophobicContact CD1-CD1 4.34Å; I435-Y488 HydrophobicContact CD1-CD2 4.05Å; I435-Y488 HydrophobicContact CD1-CG 3.82Å; I435-C504 HydrophobicContact CG2-CB 4Å; I435-V506 HydrophobicContact CD1-CG2 3.79Å
436T94.5Very high88.2Confident57 Ų5748.1 Ų48.135%0.3529%0.288SS..EExtended strand (participates in β ladder)trans-125144.4-172.859.60000111.7P421 A473 V474P421-T436 WeakPolarHBondContact CA-O 3.38Å; T436-A473 WeakPolarHBondContact CA-O 3.35Å; T436-V474 HydrophobicContact CG2-CB 4.48Å; T436-V474 HydrophobicContact CG2-CG1 4.05Å; T436-V474 HydrophobicContact CG2-CG2 4.06Å
437A93.9Very high88Confident3 Ų345.1 Ų45.13%0.02527%0.269CS..EExtended strand (participates in β ladder)trans-140162.3174.800000110.2F417 V419 P421 A473 C490F417-A437 HydrophobicContact CD1-CB 4.06Å; F417-A437 HydrophobicContact CE1-CB 3.87Å; V419-A437 CarbonylContact O-C 3.58Å; V419-A437 WeakPolarHBondContact O-CA 3.34Å; P421-A437 HydrophobicContact CG-CB 4.16Å; A437-A473 HydrophobicContact CB-CB 4.47Å; A437-A473 PolarHBondContact N-O 3.18Å; A437-A473 PolarHBondContact O-N 3.45Å; A437-C490 VanDerWaalsContact CB-SG 3.55Å
438R93.1Very high88.1Confident73 Ų7348 Ų4828%0.27529%0.288SS..EExtended strand (participates in β ladder)trans-137.7124.8174.7-162.7-174.6-175.3175.17111.5F417 V418 V419 G471 Y472F417-R438 CarbonylContact C-O 3.48Å; F417-R438 WeakPolarHBondContact CA-O 3.33Å; V418-R438 PolarHBondContact N-O 3.37Å; V419-R438 HydrophobicContact CB-CB 3.74Å; V419-R438 HydrophobicContact CG2-CB 3.92Å; V419-R438 PolarHBondContact N-O 2.91Å; V419-R438 PolarHBondContact O-N 2.94Å; R438-G471 CarbonylContact C-O 3.48Å; R438-G471 WeakPolarHBondContact CA-O 3.45Å; R438-G471 VanDerWaalsContact CG-O 3.3Å; R438-G471 WeakPolarHBondContact CG-O 3.15Å; R438-Y472 HydrophobicContact CG-CD1 4.23Å; R438-Y472 HydrophobicContact CG-CE1 4.33Å; R438-Y472 HydrophobicContact CG-CG 4.4Å; R438-Y472 VanDerWaalsContact CZ-CZ 3.47Å; R438-Y472 PolarHBondContact NH1-OH 3.49Å; R438-Y472 PolarHBondContact NH2-OH 3.35Å
439V93.1Very high88.4Confident0 Ų047 Ų470%028%0.276CS..EExtended strand (participates in β ladder)trans-112.1152.6178.755.70000111.2P415 Q416 F417 L447 V449 F468 G471 A492P415-V439 HydrophobicContact CB-CG2 3.95Å; Q416-V439 CarbonylContact O-C 3.28Å; Q416-V439 WeakPolarHBondContact O-CA 3.37Å; F417-V439 HydrophobicContact CD1-CB 4.08Å; F417-V439 HydrophobicContact CE1-CB 4.08Å; V439-L447 HydrophobicContact CG1-CD2 3.97Å; V439-L447 HydrophobicContact CG2-CD1 4.32Å; V439-L447 HydrophobicContact CG2-CD2 4.21Å; V439-V449 HydrophobicContact CG1-CG2 4.18Å; V439-F468 HydrophobicContact CG1-CE2 3.69Å; V439-F468 HydrophobicContact CG1-CZ 4.03Å; V439-G471 PolarHBondContact N-O 2.86Å; V439-G471 WeakPolarHBondContact O-CA 3.18Å; V439-A492 HydrophobicContact CB-CB 4.38Å; V439-A492 HydrophobicContact CG2-CB 3.82Å
440R90.4Very high88.8Confident126 Ų12650.1 Ų50.148%0.47529%0.291SS..EExtended strand (participates in β ladder)trans-122.8159163.5-75.7-174.5-178.2140.1-5.2109.4P415 Q416 V418 A442P415-R440 CarbonylContact C-O 3.48Å; P415-R440 VanDerWaalsContact CA-O 3.28Å; P415-R440 WeakPolarHBondContact CA-O 3.42Å; Q416-R440 PolarHBondContact N-O 3.35Å; Q416-R440 PolarHBondContact O-N 3.28Å; V418-R440 HydrophobicContact CG2-CB 4.09Å; V418-R440 HydrophobicContact CG2-CG 3.76Å; R440-A442 HydrophobicContact CG-CB 4.43Å
441P86.9Confident89.3Confident9 Ų948.6 Ų48.66%0.05827%0.271CS..SBendcis-67124.3-2.227.4-35.1000112.5D410 G443 D444 L447D410-P441 WeakPolarHBondContact O-CB 3.44Å; P441-G443 PolarHBondContact O-N 2.82Å; P441-D444 HydrophobicContact CB-CB 4.18Å; P441-D444 HydrophobicContact CG-CB 3.74Å; P441-L447 VanDerWaalsContact O-CD2 3.22Å; P441-L447 WeakPolarHBondContact O-CD2 3.49Å
442A80.4Confident89.6Confident35 Ų3545.6 Ų45.629%0.28926%0.255SS..THydrogen-bonded Turntrans-80.22.8-169.700000114.8R440 R470R440-A442 HydrophobicContact CG-CB 4.43Å; A442-R470 CarbonylContact O-C 3.57Å; A442-R470 WeakPolarHBondContact O-CA 3.48Å
443G74.2Confident89.7Confident36 Ų3643.8 Ų43.837%0.37124%0.239SC..THydrogen-bonded Turntrans-138.832-176.400000112.7P441 R797P441-G443 PolarHBondContact O-N 2.82Å; G443-R797 PolarHBondContact O-NH1 3.05Å
444D83.3Confident89.7Confident30 Ų3048 Ų4816%0.1626%0.26CS..  trans-96.5128.5169.9173.4-0.5000108.5P441 T446 L447 N494P441-D444 HydrophobicContact CB-CB 4.18Å; P441-D444 HydrophobicContact CG-CB 3.74Å; D444-T446 VanDerWaalsContact C-N 3.34Å; D444-T446 WeakPolarHBondContact OD1-CA 3.44Å; D444-T446 WeakPolarHBondContact OD1-CB 3.23Å; D444-T446 PolarHBondContact OD1-N 3.22Å; D444-T446 PolarHBondContact OD1-OG1 2.91Å; D444-T446 PolarHBondContact OD2-OG1 2.83Å; D444-L447 HydrophobicContact CB-CB 4.33Å; D444-N494 WeakPolarHBondContact OD2-CB 3.43Å; D444-N494 PolarHBondContact OD2-ND2 2.92Å
445S81.9Confident89.6Confident83 Ų8346.8 Ų46.858%0.5827%0.27SS*.THydrogen-bonded Turntrans-75.2-21.6-179.747.40000113.3L447S445-L447 VanDerWaalsContact C-N 3.32Å
446T84.9Confident89.4Confident47 Ų4754 Ų5429%0.28830%0.301SS..THydrogen-bonded Turntrans-87.2-0.8-177.168.70000113.5D444 V448 S495D444-T446 VanDerWaalsContact C-N 3.34Å; D444-T446 WeakPolarHBondContact OD1-CA 3.44Å; D444-T446 WeakPolarHBondContact OD1-CB 3.23Å; D444-T446 PolarHBondContact OD1-N 3.22Å; D444-T446 PolarHBondContact OD1-OG1 2.91Å; D444-T446 PolarHBondContact OD2-OG1 2.83Å; T446-V448 PolarHBondContact O-N 3.06Å; T446-S495 PolarHBondContact OG1-N 3.14Å; T446-S495 PolarHBondContact OG1-OG 2.86Å
447L87.6Confident89.3Confident12 Ų1255.4 Ų55.46%0.06331%0.311CS..  trans-82.2107.4-173.8-177.259.5000112.2P415 V439 P441 D444 S445 F468 A492 T493 N494P415-L447 HydrophobicContact CB-CD1 4Å; V439-L447 HydrophobicContact CG1-CD2 3.97Å; V439-L447 HydrophobicContact CG2-CD1 4.32Å; V439-L447 HydrophobicContact CG2-CD2 4.21Å; P441-L447 VanDerWaalsContact O-CD2 3.22Å; P441-L447 WeakPolarHBondContact O-CD2 3.49Å; D444-L447 HydrophobicContact CB-CB 4.33Å; S445-L447 VanDerWaalsContact C-N 3.32Å; L447-F468 HydrophobicContact CD2-CZ 3.84Å; L447-F468 HydrophobicContact CG-CE1 4.26Å; L447-F468 HydrophobicContact CG-CZ 3.91Å; L447-F468 WeakPolarHBondContact O-CE1 3.41Å; L447-A492 HydrophobicContact CD1-CB 4.15Å; L447-T493 WeakPolarHBondContact CA-O 3.31Å; L447-N494 HydrophobicContact CB-CB 4.36Å; L447-N494 HydrophobicContact CD1-CB 4.12Å
448V91.2Very high89.2Confident85 Ų8556.7 Ų56.752%0.51532%0.317SS..EExtended strand (participates in β ladder)trans-103.4142.3175-178.60000109.6T446 A492 T493T446-V448 PolarHBondContact O-N 3.06Å; V448-A492 CarbonylContact O-C 3.55Å; V448-A492 WeakPolarHBondContact O-CA 3.12Å; V448-T493 PolarHBondContact N-O 2.99Å; V448-T493 PolarHBondContact O-N 2.85Å
449V92.5Very high88.9Confident26 Ų2657.7 Ų57.716%0.15833%0.333CS..EExtended strand (participates in β ladder)trans-127.1125.2175.3-175.60000110.8V439 F468 A473 C490 V491 A492V439-V449 HydrophobicContact CG1-CG2 4.18Å; V449-F468 HydrophobicContact CB-CD2 4.19Å; V449-F468 HydrophobicContact CB-CE2 4.46Å; V449-F468 HydrophobicContact CB-CG 4.39Å; V449-F468 HydrophobicContact CG2-CD1 4.39Å; V449-F468 HydrophobicContact CG2-CD2 3.69Å; V449-F468 HydrophobicContact CG2-CE1 4.2Å; V449-F468 HydrophobicContact CG2-CE2 3.49Å; V449-F468 VanDerWaalsContact CG2-CE2 3.49Å; V449-F468 HydrophobicContact CG2-CG 4.15Å; V449-F468 HydrophobicContact CG2-CZ 3.76Å; V449-A473 HydrophobicContact CG1-CB 3.91Å; V449-C490 HydrophobicContact CG1-CB 3.92Å; V449-V491 WeakPolarHBondContact CA-O 3.25Å; V449-A492 HydrophobicContact CG2-CB 4.04Å
450E93.9Very high88.3Confident87 Ų8763 Ų6341%0.40738%0.377SS..EExtended strand (participates in β ladder)trans-113.5147.2176.7-64.9-174.314700110.7Y452 C490 V491E450-Y452 HydrophobicContact CB-CD2 4.5Å; E450-Y452 HydrophobicContact CB-CE2 3.86Å; E450-Y452 PolarHBondContact OE2-OH 3.48Å; E450-C490 CarbonylContact O-C 3.59Å; E450-C490 WeakPolarHBondContact O-CA 3.35Å; E450-C490 WeakPolarHBondContact O-CB 3.36Å; E450-V491 PolarHBondContact N-O 2.89Å; E450-V491 PolarHBondContact O-N 3.11Å
451W94.6Very high88Confident15 Ų1559.4 Ų59.46%0.05737%0.374CS..EExtended strand (participates in β ladder)trans-104.1142.8176.1-7490.9000111.4P421 I435 L458 T466 A473 L475 C490P421-W451 HydrophobicContact CG-CH2 4.37Å; P421-W451 HydrophobicContact CG-CZ3 4.31Å; I435-W451 HydrophobicContact CB-CH2 4.22Å; I435-W451 HydrophobicContact CB-CZ3 4.28Å; I435-W451 HydrophobicContact CG2-CH2 3.84Å; I435-W451 HydrophobicContact CG2-CZ3 3.75Å; W451-L458 HydrophobicContact CB-CB 4.17Å; W451-L458 HydrophobicContact CB-CD2 4.12Å; W451-L458 WeakPolarHBondContact O-CB 3.4Å; W451-L458 PolarHBondContact O-N 3.02Å; W451-T466 HydrophobicContact CB-CG2 4.34Å; W451-T466 VanDerWaalsContact CD1-CG2 3.44Å; W451-T466 HydrophobicContact CG-CG2 4.02Å; W451-A473 HydrophobicContact CZ2-CB 4.16Å; W451-L475 HydrophobicContact CD2-CB 3.76Å; W451-L475 HydrophobicContact CD2-CD2 4.11Å; W451-L475 HydrophobicContact CE3-CB 4.04Å; W451-L475 HydrophobicContact CE3-CD2 3.89Å; W451-L475 HydrophobicContact CG-CB 4.31Å; W451-L475 HydrophobicContact CG-CD2 4.45Å; W451-L475 HydrophobicContact CH2-CB 4.1Å; W451-L475 HydrophobicContact CZ2-CB 3.82Å; W451-L475 HydrophobicContact CZ3-CB 4.21Å; W451-L475 HydrophobicContact CZ3-CD2 4.41Å; W451-C490 HydrophobicContact CD2-CB 3.78Å; W451-C490 HydrophobicContact CE3-CB 3.81Å; W451-C490 HydrophobicContact CG-CB 4.31Å; W451-C490 HydrophobicContact CH2-CB 4.3Å; W451-C490 HydrophobicContact CZ2-CB 4.27Å; W451-C490 HydrophobicContact CZ3-CB 4.08Å
452Y95.2Very high87.9Confident52 Ų5264.4 Ų64.420%0.20441%0.41CS..EExtended strand (participates in β ladder)trans-130.7134.9-178.1-71.9-105.7000110.6E450 K456 P457 Y488 S489 V491E450-Y452 HydrophobicContact CB-CD2 4.5Å; E450-Y452 HydrophobicContact CB-CE2 3.86Å; E450-Y452 PolarHBondContact OE2-OH 3.48Å; Y452-K456 CarbonylContact C-O 3.59Å; Y452-K456 WeakPolarHBondContact CA-O 3.31Å; Y452-K456 VanDerWaalsContact CD1-C 3.44Å; Y452-P457 HydrophobicContact CD1-CB 4.3Å; Y452-P457 HydrophobicContact CE1-CB 4.04Å; Y452-Y488 CarbonylContact O-C 3.51Å; Y452-Y488 VanDerWaalsContact O-CA 3.32Å; Y452-Y488 WeakPolarHBondContact O-CA 3.33Å; Y452-S489 PolarHBondContact N-O 3.43Å; Y452-S489 PolarHBondContact O-N 3.01Å; Y452-V491 HydrophobicContact CD2-CB 4.31Å; Y452-V491 HydrophobicContact CD2-CG2 3.73Å; Y452-V491 HydrophobicContact CE2-CB 3.86Å; Y452-V491 HydrophobicContact CE2-CG2 3.55Å
453K94.1Very high88.4Confident43 Ų4364.8 Ų64.819%0.18740%0.404CS..EExtended strand (participates in β ladder)trans-114.9125.2173.1178.8-175.3-178179.70109.1G455 K456 L458 D483 D484 D487 Y488K453-G455 PolarHBondContact O-N 3.27Å; K453-G455 VanDerWaalsContact O-N 3.15Å; K453-K456 PolarHBondContact N-O 3.26Å; K453-K456 PolarHBondContact O-N 2.91Å; K453-L458 HydrophobicContact CB-CD1 3.99Å; K453-L458 HydrophobicContact CD-CD1 4.29Å; K453-D483 PolarHBondContact NZ-O 3.09Å; K453-D484 IonicContact NZ-OD1 3.67Å; K453-D487 WeakPolarHBondContact CA-O 3.28Å; K453-Y488 HydrophobicContact CB-CD1 4.05Å; K453-Y488 HydrophobicContact CB-CE1 3.81Å; K453-Y488 HydrophobicContact CD-CE1 3.8Å; K453-Y488 WeakPolarHBondContact CD-OH 3.41Å; K453-Y488 WeakPolarHBondContact CE-OH 3.26Å; K453-Y488 HydrophobicContact CG-CD1 4.3Å; K453-Y488 HydrophobicContact CG-CE1 3.76Å; K453-Y488 HydrophobicContact CG-CE2 4.28Å; K453-Y488 PolarHBondContact NZ-OH 3.24Å
454N92.2Very high89.2Confident94 Ų9464.1 Ų64.150%0.50339%0.391SS..THydrogen-bonded Turntrans50.838.4-179-59.6-29.6000112.9K456 G486 D487N454-K456 VanDerWaalsContact C-N 3.3Å; N454-K456 PolarHBondContact O-N 3.29Å; N454-G486 VanDerWaalsContact OD1-CA 3.29Å; N454-G486 WeakPolarHBondContact OD1-CA 3.28Å; N454-D487 PolarHBondContact N-O 2.88Å; N454-D487 PolarHBondContact OD1-N 3.49Å
455G89.5Confident89.6Confident66 Ų6666.5 Ų66.568%0.6841%0.406SS*.THydrogen-bonded Turntrans76.12.4-178.900000116.2K453K453-G455 PolarHBondContact O-N 3.27Å; K453-G455 VanDerWaalsContact O-N 3.15Å
456K90.8Very high90.1Very high154 Ų15466.4 Ų66.467%0.6740%0.402SS*.EExtended strand (participates in β ladder)trans-104.9144.3174.3-62178.4-176.5175.50110.3Y452 K453 N454Y452-K456 CarbonylContact C-O 3.59Å; Y452-K456 WeakPolarHBondContact CA-O 3.31Å; Y452-K456 VanDerWaalsContact CD1-C 3.44Å; K453-K456 PolarHBondContact N-O 3.26Å; K453-K456 PolarHBondContact O-N 2.91Å; N454-K456 VanDerWaalsContact C-N 3.3Å; N454-K456 PolarHBondContact O-N 3.29Å
457P91.9Very high90.4Very high88 Ų8868 Ų6857%0.57141%0.412SS*.EExtended strand (participates in β ladder)trans-60.4139.6174.626.7-34.4000110.1Y452 P459Y452-P457 HydrophobicContact CD1-CB 4.3Å; Y452-P457 HydrophobicContact CE1-CB 4.04Å; P457-P459 WeakPolarHBondContact O-CD 3.19Å
458L91.2Very high90.5Very high29 Ų2971.2 Ų71.215%0.15243%0.426CS..PPolyproline II helixtrans-77.4117.8-176.9-171.571.5000109.5W451 K453 F464 T466 L475 Y488W451-L458 HydrophobicContact CB-CB 4.17Å; W451-L458 HydrophobicContact CB-CD2 4.12Å; W451-L458 WeakPolarHBondContact O-CB 3.4Å; W451-L458 PolarHBondContact O-N 3.02Å; K453-L458 HydrophobicContact CB-CD1 3.99Å; K453-L458 HydrophobicContact CD-CD1 4.29Å; L458-F464 HydrophobicContact CD1-CE2 4.11Å; L458-F464 HydrophobicContact CD1-CZ 3.84Å; L458-F464 HydrophobicContact CD2-CD2 3.98Å; L458-F464 HydrophobicContact CD2-CE2 3.6Å; L458-F464 HydrophobicContact CD2-CZ 4.19Å; L458-F464 HydrophobicContact CG-CD2 4.48Å; L458-F464 HydrophobicContact CG-CE2 3.63Å; L458-F464 HydrophobicContact CG-CZ 3.85Å; L458-T466 HydrophobicContact CD2-CG2 4.41Å; L458-L475 HydrophobicContact CD2-CD1 3.62Å; L458-L475 HydrophobicContact CD2-CD2 3.7Å; L458-L475 HydrophobicContact CD2-CG 4.33Å; L458-Y488 HydrophobicContact CD1-CE1 4.2Å
459P86.4Confident90.4Very high94 Ų9471.3 Ų71.361%0.6142%0.424SS*.PPolyproline II helixtrans-71.7150.9-179.430.8-35.4000111.1P457 A461 F464P457-P459 WeakPolarHBondContact O-CD 3.19Å; P459-A461 PolarHBondContact O-N 3.4Å; P459-F464 WeakPolarHBondContact O-CE2 3.36Å; P459-F464 VanDerWaalsContact O-CZ 3.27Å; P459-F464 WeakPolarHBondContact O-CZ 3.33Å
460A80.8Confident90Very high111 Ų11178.8 Ų78.892%0.91745%0.449SS*.PPolyproline II helixtrans-63.1132.5172.200000111
461A85.3Confident89.7Confident51 Ų5174.7 Ų74.742%0.42143%0.43SS..  trans-142.8168.9-179.100000110.9P459 F464P459-A461 PolarHBondContact O-N 3.4Å; A461-F464 HydrophobicContact CB-CD1 4.25Å; A461-F464 HydrophobicContact CB-CE1 3.69Å; A461-F464 HydrophobicContact CB-CE2 3.98Å; A461-F464 HydrophobicContact CB-CZ 3.54Å
462S83.8Confident89.5Confident114 Ų11479.7 Ų79.780%0.79745%0.45SS*.SBendtrans-84.3-21.8175.852.20000114.2
463R90.7Very high89.4Confident44 Ų4477.2 Ų77.217%0.16644%0.44CS..SBendtrans-80.8-19.6-176.5-61.6-161.5-61.6104.1-1.1114.4L478 Y479 D484R463-L478 WeakPolarHBondContact O-CB 3.08Å; R463-L478 PolarHBondContact O-N 2.69Å; R463-Y479 VanDerWaalsContact CD-CE2 3.43Å; R463-Y479 WeakPolarHBondContact CD-OH 3.33Å; R463-Y479 HydrophobicContact CG-CE1 4.1Å; R463-Y479 HydrophobicContact CG-CE2 4.3Å; R463-Y479 PolarHBondContact NH1-O 2.75Å; R463-D484 IonicContact CZ-OD1 3.72Å; R463-D484 IonicContact CZ-OD2 3.59Å; R463-D484 IonicContact NH1-OD2 3.6Å; R463-D484 PolarHBondContact NH1-OD2 3.02Å; R463-D484 IonicContact NH2-OD1 2.71Å; R463-D484 PolarHBondContact NH2-OD1 2.79Å; R463-D484 IonicContact NH2-OD2 3.68Å; R463-D484 PolarHBondContact NH2-OD2 2.88Å
464F91.4Very high89.5Confident22 Ų2276.8 Ų76.810%0.09644%0.441CS..EExtended strand (participates in β ladder)trans-143.9153.1-178.256.6-104.8000111.5L458 P459 A461 L475 D476 F477L458-F464 HydrophobicContact CD1-CE2 4.11Å; L458-F464 HydrophobicContact CD1-CZ 3.84Å; L458-F464 HydrophobicContact CD2-CD2 3.98Å; L458-F464 HydrophobicContact CD2-CE2 3.6Å; L458-F464 HydrophobicContact CD2-CZ 4.19Å; L458-F464 HydrophobicContact CG-CD2 4.48Å; L458-F464 HydrophobicContact CG-CE2 3.63Å; L458-F464 HydrophobicContact CG-CZ 3.85Å; P459-F464 WeakPolarHBondContact O-CE2 3.36Å; P459-F464 VanDerWaalsContact O-CZ 3.27Å; P459-F464 WeakPolarHBondContact O-CZ 3.33Å; A461-F464 HydrophobicContact CB-CD1 4.25Å; A461-F464 HydrophobicContact CB-CE1 3.69Å; A461-F464 HydrophobicContact CB-CE2 3.98Å; A461-F464 HydrophobicContact CB-CZ 3.54Å; F464-L475 HydrophobicContact CB-CD1 4.15Å; F464-L475 HydrophobicContact CD2-CD1 3.95Å; F464-L475 HydrophobicContact CG-CD1 4.29Å; F464-D476 CarbonylContact C-O 3.55Å; F464-D476 WeakPolarHBondContact CA-O 3.37Å; F464-D476 WeakPolarHBondContact CB-O 3.29Å; F464-F477 HydrophobicContact CB-CB 4.37Å; F464-F477 HydrophobicContact CB-CD1 3.7Å; F464-F477 HydrophobicContact CB-CD2 4.24Å; F464-F477 HydrophobicContact CB-CE1 4.03Å; F464-F477 HydrophobicContact CB-CG 3.81Å; F464-F477 HydrophobicContact CB-CZ 4.44Å; F464-F477 AromaticContact CD1-CD1 3.89Å; F464-F477 HydrophobicContact CD1-CD1 3.89Å; F464-F477 AromaticContact CD1-CE1 3.59Å; F464-F477 HydrophobicContact CD1-CE1 3.59Å; F464-F477 HydrophobicContact CD1-CZ 4.3Å; F464-F477 HydrophobicContact CE1-CE1 4.35Å; F464-F477 HydrophobicContact CG-CD1 4.16Å; F464-F477 HydrophobicContact CG-CE1 4.03Å; F464-F477 HydrophobicContact CG-CZ 4.43Å
465T92.2Very high89.6Confident80 Ų8072.3 Ų72.349%0.49142%0.417SS..EExtended strand (participates in β ladder)trans-128.3148.2179.668.50000111.1L475 D476T465-L475 WeakPolarHBondContact O-CA 3.5Å; T465-D476 PolarHBondContact N-O 3.17Å; T465-D476 PolarHBondContact O-N 3.48Å
466T92.5Very high89.8Confident81 Ų8172.8 Ų72.850%0.49740%0.404SS..EExtended strand (participates in β ladder)trans-115.3129.1174.852.80000109.7W451 L458 V474 L475W451-T466 HydrophobicContact CB-CG2 4.34Å; W451-T466 VanDerWaalsContact CD1-CG2 3.44Å; W451-T466 HydrophobicContact CG-CG2 4.02Å; L458-T466 HydrophobicContact CD2-CG2 4.41Å; T466-V474 CarbonylContact C-O 3.55Å; T466-V474 WeakPolarHBondContact CA-O 3.31Å; T466-L475 HydrophobicContact CG2-CB 4.48Å; T466-L475 HydrophobicContact CG2-CD1 3.85Å
467T90.9Very high90Very high81 Ų8165.5 Ų65.550%0.49737%0.372SS..EExtended strand (participates in β ladder)trans-129.7150.9177.561.50000111.7A473 V474T467-A473 WeakPolarHBondContact O-CA 3.3Å; T467-V474 PolarHBondContact N-O 2.97Å; T467-V474 PolarHBondContact O-N 3.44Å
468F90.4Very high89.9Confident78 Ų7867.2 Ų67.234%0.34238%0.376SS..EExtended strand (participates in β ladder)trans-143.1119176.9-177.8-115.8000110.8V439 L447 V449 Y472 A473V439-F468 HydrophobicContact CG1-CE2 3.69Å; V439-F468 HydrophobicContact CG1-CZ 4.03Å; L447-F468 HydrophobicContact CD2-CZ 3.84Å; L447-F468 HydrophobicContact CG-CE1 4.26Å; L447-F468 HydrophobicContact CG-CZ 3.91Å; L447-F468 WeakPolarHBondContact O-CE1 3.41Å; V449-F468 HydrophobicContact CB-CD2 4.19Å; V449-F468 HydrophobicContact CB-CE2 4.46Å; V449-F468 HydrophobicContact CB-CG 4.39Å; V449-F468 HydrophobicContact CG2-CD1 4.39Å; V449-F468 HydrophobicContact CG2-CD2 3.69Å; V449-F468 HydrophobicContact CG2-CE1 4.2Å; V449-F468 HydrophobicContact CG2-CE2 3.49Å; V449-F468 VanDerWaalsContact CG2-CE2 3.49Å; V449-F468 HydrophobicContact CG2-CG 4.15Å; V449-F468 HydrophobicContact CG2-CZ 3.76Å; F468-Y472 VanDerWaalsContact CA-O 3.3Å; F468-Y472 WeakPolarHBondContact CA-O 3.48Å; F468-Y472 VanDerWaalsContact CD2-O 3.23Å; F468-Y472 WeakPolarHBondContact CD2-O 3.45Å; F468-A473 HydrophobicContact CD2-CB 3.99Å
469D87.7Confident89.8Confident88 Ų8870.6 Ų70.647%0.47139%0.388SS..EExtended strand (participates in β ladder)trans-140.8135171.9-179.339.6000110.7G471 Y472D469-G471 PolarHBondContact O-N 2.75Å; D469-Y472 PolarHBondContact N-O 3.06Å; D469-Y472 WeakPolarHBondContact O-CB 3.07Å; D469-Y472 PolarHBondContact O-N 2.8Å
470R85Confident89.9Confident182 Ų18266.1 Ų66.169%0.68736%0.359SS*.THydrogen-bonded Turntrans43.745.5172.5-68.7161-177.2128.2-8.6114.2A442 Y472A442-R470 CarbonylContact O-C 3.57Å; A442-R470 WeakPolarHBondContact O-CA 3.48Å; R470-Y472 VanDerWaalsContact C-N 3.31Å; R470-Y472 PolarHBondContact O-N 2.76Å
471G86.9Confident90.4Very high1 Ų162.6 Ų62.61%0.0132%0.324CS..THydrogen-bonded Turntrans78.31.3179.600000115.7R438 V439 D469R438-G471 CarbonylContact C-O 3.48Å; R438-G471 WeakPolarHBondContact CA-O 3.45Å; R438-G471 VanDerWaalsContact CG-O 3.3Å; R438-G471 WeakPolarHBondContact CG-O 3.15Å; V439-G471 PolarHBondContact N-O 2.86Å; V439-G471 WeakPolarHBondContact O-CA 3.18Å; D469-G471 PolarHBondContact O-N 2.75Å
472Y91.7Very high90.3Very high120 Ų12064.2 Ų64.247%0.47132%0.323SS..EExtended strand (participates in β ladder)trans-92.9124.1169.5-69.5-95.3000109.8R438 F468 D469 R470R438-Y472 HydrophobicContact CG-CD1 4.23Å; R438-Y472 HydrophobicContact CG-CE1 4.33Å; R438-Y472 HydrophobicContact CG-CG 4.4Å; R438-Y472 VanDerWaalsContact CZ-CZ 3.47Å; R438-Y472 PolarHBondContact NH1-OH 3.49Å; R438-Y472 PolarHBondContact NH2-OH 3.35Å; F468-Y472 VanDerWaalsContact CA-O 3.3Å; F468-Y472 WeakPolarHBondContact CA-O 3.48Å; F468-Y472 VanDerWaalsContact CD2-O 3.23Å; F468-Y472 WeakPolarHBondContact CD2-O 3.45Å; D469-Y472 PolarHBondContact N-O 3.06Å; D469-Y472 WeakPolarHBondContact O-CB 3.07Å; D469-Y472 PolarHBondContact O-N 2.8Å; R470-Y472 VanDerWaalsContact C-N 3.31Å; R470-Y472 PolarHBondContact O-N 2.76Å
473A93.1Very high90.5Very high1 Ų164.8 Ų64.81%0.00832%0.317CS..EExtended strand (participates in β ladder)trans-109.6135.1172.300000109.8T436 A437 V449 W451 T467 F468T436-A473 WeakPolarHBondContact CA-O 3.35Å; A437-A473 HydrophobicContact CB-CB 4.47Å; A437-A473 PolarHBondContact N-O 3.18Å; A437-A473 PolarHBondContact O-N 3.45Å; V449-A473 HydrophobicContact CG1-CB 3.91Å; W451-A473 HydrophobicContact CZ2-CB 4.16Å; T467-A473 WeakPolarHBondContact O-CA 3.3Å; F468-A473 HydrophobicContact CD2-CB 3.99Å
474V94.7Very high90.5Very high34 Ų3462.9 Ų62.921%0.20631%0.31CS..EExtended strand (participates in β ladder)trans-133.1137.7179.2-1740000109.6I435 T436 T466 T467 D476I435-V474 WeakPolarHBondContact O-CA 3.3Å; T436-V474 HydrophobicContact CG2-CB 4.48Å; T436-V474 HydrophobicContact CG2-CG1 4.05Å; T436-V474 HydrophobicContact CG2-CG2 4.06Å; T466-V474 CarbonylContact C-O 3.55Å; T466-V474 WeakPolarHBondContact CA-O 3.31Å; T467-V474 PolarHBondContact N-O 2.97Å; T467-V474 PolarHBondContact O-N 3.44Å; V474-D476 HydrophobicContact CG1-CB 4.28Å
475L94.9Very high90.5Very high0 Ų064.6 Ų64.60%032%0.32CS..EExtended strand (participates in β ladder)trans-117.8121.7163.5165.260.4000107.1N434 I435 W451 L458 F464 T465 T466 F477 Y488N434-L475 CarbonylContact C-O 3.59Å; N434-L475 WeakPolarHBondContact CA-O 3.22Å; I435-L475 HydrophobicContact CB-CB 4.44Å; I435-L475 HydrophobicContact CD1-CD2 4.33Å; I435-L475 PolarHBondContact N-O 3.4Å; I435-L475 PolarHBondContact O-N 3Å; W451-L475 HydrophobicContact CD2-CB 3.76Å; W451-L475 HydrophobicContact CD2-CD2 4.11Å; W451-L475 HydrophobicContact CE3-CB 4.04Å; W451-L475 HydrophobicContact CE3-CD2 3.89Å; W451-L475 HydrophobicContact CG-CB 4.31Å; W451-L475 HydrophobicContact CG-CD2 4.45Å; W451-L475 HydrophobicContact CH2-CB 4.1Å; W451-L475 HydrophobicContact CZ2-CB 3.82Å; W451-L475 HydrophobicContact CZ3-CB 4.21Å; W451-L475 HydrophobicContact CZ3-CD2 4.41Å; L458-L475 HydrophobicContact CD2-CD1 3.62Å; L458-L475 HydrophobicContact CD2-CD2 3.7Å; L458-L475 HydrophobicContact CD2-CG 4.33Å; F464-L475 HydrophobicContact CB-CD1 4.15Å; F464-L475 HydrophobicContact CD2-CD1 3.95Å; F464-L475 HydrophobicContact CG-CD1 4.29Å; T465-L475 WeakPolarHBondContact O-CA 3.5Å; T466-L475 HydrophobicContact CG2-CB 4.48Å; T466-L475 HydrophobicContact CG2-CD1 3.85Å; L475-F477 HydrophobicContact CD1-CD2 4.36Å; L475-F477 HydrophobicContact CD1-CE2 3.9Å; L475-F477 HydrophobicContact CD1-CZ 4.39Å; L475-F477 HydrophobicContact CD2-CE2 3.77Å; L475-F477 HydrophobicContact CD2-CZ 4.26Å; L475-F477 HydrophobicContact CG-CD2 4.19Å; L475-F477 HydrophobicContact CG-CE2 3.61Å; L475-F477 HydrophobicContact CG-CZ 4.41Å; L475-Y488 HydrophobicContact CD2-CD1 3.66Å; L475-Y488 HydrophobicContact CD2-CE1 4.1Å
476D93.8Very high90.6Very high75 Ų7561.2 Ų61.240%0.40130%0.302SS..EExtended strand (participates in β ladder)trans-128122.4-169.2-162.552.3000109.7N434 F464 T465 V474N434-D476 WeakPolarHBondContact CB-OD1 3.35Å; F464-D476 CarbonylContact C-O 3.55Å; F464-D476 WeakPolarHBondContact CA-O 3.37Å; F464-D476 WeakPolarHBondContact CB-O 3.29Å; T465-D476 PolarHBondContact N-O 3.17Å; T465-D476 PolarHBondContact O-N 3.48Å; V474-D476 HydrophobicContact CG1-CB 4.28Å
477F94.1Very high90.7Very high1 Ų160.3 Ų60.30%0.00429%0.293CS..EExtended strand (participates in β ladder)trans-106128.2-178-70.6-108.4000110.2P432 A433 I435 F464 L475 M480 D484 Y488P432-F477 WeakPolarHBondContact CA-O 3.4Å; P432-F477 WeakPolarHBondContact CB-O 3.13Å; A433-F477 HydrophobicContact CB-CB 4.24Å; A433-F477 PolarHBondContact N-O 2.98Å; A433-F477 VanDerWaalsContact N-O 3.09Å; A433-F477 PolarHBondContact O-N 3.45Å; I435-F477 HydrophobicContact CD1-CE2 4.44Å; F464-F477 HydrophobicContact CB-CB 4.37Å; F464-F477 HydrophobicContact CB-CD1 3.7Å; F464-F477 HydrophobicContact CB-CD2 4.24Å; F464-F477 HydrophobicContact CB-CE1 4.03Å; F464-F477 HydrophobicContact CB-CG 3.81Å; F464-F477 HydrophobicContact CB-CZ 4.44Å; F464-F477 AromaticContact CD1-CD1 3.89Å; F464-F477 HydrophobicContact CD1-CD1 3.89Å; F464-F477 AromaticContact CD1-CE1 3.59Å; F464-F477 HydrophobicContact CD1-CE1 3.59Å; F464-F477 HydrophobicContact CD1-CZ 4.3Å; F464-F477 HydrophobicContact CE1-CE1 4.35Å; F464-F477 HydrophobicContact CG-CD1 4.16Å; F464-F477 HydrophobicContact CG-CE1 4.03Å; F464-F477 HydrophobicContact CG-CZ 4.43Å; L475-F477 HydrophobicContact CD1-CD2 4.36Å; L475-F477 HydrophobicContact CD1-CE2 3.9Å; L475-F477 HydrophobicContact CD1-CZ 4.39Å; L475-F477 HydrophobicContact CD2-CE2 3.77Å; L475-F477 HydrophobicContact CD2-CZ 4.26Å; L475-F477 HydrophobicContact CG-CD2 4.19Å; L475-F477 HydrophobicContact CG-CE2 3.61Å; L475-F477 HydrophobicContact CG-CZ 4.41Å; F477-M480 HydrophobicContact CB-CE 4.26Å; F477-M480 HydrophobicContact CB-CG 4.49Å; F477-M480 HydrophobicContact CB-SD 4.4Å; F477-M480 HydrophobicContact CD1-CE 3.84Å; F477-M480 HydrophobicContact CD1-SD 3.67Å; F477-M480 HydrophobicContact CD2-CE 3.53Å; F477-M480 HydrophobicContact CD2-SD 4.43Å; F477-M480 HydrophobicContact CE1-CE 3.96Å; F477-M480 HydrophobicContact CE1-SD 3.92Å; F477-M480 HydrophobicContact CE2-CE 3.63Å; F477-M480 HydrophobicContact CG-CE 3.64Å; F477-M480 HydrophobicContact CG-SD 3.96Å; F477-M480 HydrophobicContact CZ-CE 3.85Å; F477-M480 HydrophobicContact CZ-SD 4.39Å; F477-D484 HydrophobicContact CE1-CB 4.27Å; F477-Y488 HydrophobicContact CE2-CE1 4.37Å; F477-Y488 AromaticContact CZ-CE1 3.75Å; F477-Y488 HydrophobicContact CZ-CE1 3.75Å; F477-Y488 AromaticContact CZ-CZ 3.84Å
478L90.2Very high90.9Very high124 Ų12456.5 Ų56.565%0.64927%0.27SS*.SBendtrans-69.5-34.4176.6-173.565.5000112.1R463R463-L478 WeakPolarHBondContact O-CB 3.08Å; R463-L478 PolarHBondContact O-N 2.69Å
479Y89.2Confident91.1Very high101 Ų10153.2 Ų53.240%0.39626%0.257SS..SBendtrans-160.8142.1171.557.7-83.8000110G430 R463 N481G430-Y479 VanDerWaalsContact O-CB 3.3Å; G430-Y479 WeakPolarHBondContact O-CB 3.29Å; R463-Y479 VanDerWaalsContact CD-CE2 3.43Å; R463-Y479 WeakPolarHBondContact CD-OH 3.33Å; R463-Y479 HydrophobicContact CG-CE1 4.1Å; R463-Y479 HydrophobicContact CG-CE2 4.3Å; R463-Y479 PolarHBondContact NH1-O 2.75Å; Y479-N481 VanDerWaalsContact CD2-OD1 3.29Å; Y479-N481 WeakPolarHBondContact CD2-OD1 3.34Å; Y479-N481 WeakPolarHBondContact CE2-OD1 3.34Å
480M89.9Confident91.3Very high0 Ų049 Ų490%024%0.235CC..  trans-93.6136.1179.3-80.8-68.9-165.700112.3I427 G430 E431 A433 F477 D484 V506 I508I427-M480 HydrophobicContact CG2-CG 4.44Å; G430-M480 PolarHBondContact N-O 3.44Å; E431-M480 PolarHBondContact O-N 3.3Å; A433-M480 HydrophobicContact CB-CE 3.53Å; A433-M480 HydrophobicContact CB-CG 3.8Å; A433-M480 HydrophobicContact CB-SD 4.48Å; F477-M480 HydrophobicContact CB-CE 4.26Å; F477-M480 HydrophobicContact CB-CG 4.49Å; F477-M480 HydrophobicContact CB-SD 4.4Å; F477-M480 HydrophobicContact CD1-CE 3.84Å; F477-M480 HydrophobicContact CD1-SD 3.67Å; F477-M480 HydrophobicContact CD2-CE 3.53Å; F477-M480 HydrophobicContact CD2-SD 4.43Å; F477-M480 HydrophobicContact CE1-CE 3.96Å; F477-M480 HydrophobicContact CE1-SD 3.92Å; F477-M480 HydrophobicContact CE2-CE 3.63Å; F477-M480 HydrophobicContact CG-CE 3.64Å; F477-M480 HydrophobicContact CG-SD 3.96Å; F477-M480 HydrophobicContact CZ-CE 3.85Å; F477-M480 HydrophobicContact CZ-SD 4.39Å; M480-D484 HydrophobicContact SD-CB 3.42Å; M480-D484 WeakPolarHBondContact SD-CB 3.46Å; M480-V506 HydrophobicContact CE-CG1 3.97Å; M480-I508 HydrophobicContact CB-CD1 3.97Å; M480-I508 HydrophobicContact CB-CG1 4.46Å; M480-I508 HydrophobicContact CG-CD1 4.33Å; M480-I508 HydrophobicContact SD-CD1 3.87Å
481N89.3Confident91.8Very high36 Ų3640.8 Ų40.819%0.19320%0.204CC..  trans-112.8160.1172.9-66.528.1000110.2Y479 D483 D484 I508Y479-N481 VanDerWaalsContact CD2-OD1 3.29Å; Y479-N481 WeakPolarHBondContact CD2-OD1 3.34Å; Y479-N481 WeakPolarHBondContact CE2-OD1 3.34Å; N481-D483 PolarHBondContact O-N 3.17Å; N481-D484 PolarHBondContact N-OD2 2.89Å; N481-D484 VanDerWaalsContact N-OD2 3.1Å; N481-D484 WeakPolarHBondContact O-CB 3.49Å; N481-D484 PolarHBondContact O-N 2.71Å; N481-I508 WeakPolarHBondContact O-CD1 3.19Å
482E84.9Confident92.2Very high86 Ų8640.8 Ų40.840%0.40220%0.204SC..G310 helixtrans-46.6-38.6172.2-72.4-160.9141.100114.6E429 D484 N485 P510E429-E482 PolarHBondContact OE1-N 3.2Å; E482-D484 PolarHBondContact O-N 3.16Å; E482-D484 VanDerWaalsContact O-N 3.08Å; E482-N485 PolarHBondContact O-N 2.9Å; E482-N485 PolarHBondContact O-ND2 3.48Å; E482-P510 HydrophobicContact CG-CB 4.21Å; E482-P510 VanDerWaalsContact OE1-CB 3.3Å; E482-P510 WeakPolarHBondContact OE1-CB 3.31Å
483D87.8Confident92.2Very high125 Ų12537.4 Ų37.467%0.66820%0.196SC*.G310 helixtrans-55.4-22.9175.1-80.1-47.2000114.4K453 N481 N485K453-D483 PolarHBondContact NZ-O 3.09Å; N481-D483 PolarHBondContact O-N 3.17Å; D483-N485 VanDerWaalsContact C-N 3.3Å; D483-N485 PolarHBondContact O-N 2.75Å
484D90.7Very high92.1Very high4 Ų438 Ų382%0.02120%0.199CC..G310 helixtrans-81.5-4.7-176.2-63.9-45.3000114.6K453 R463 F477 M480 N481 E482 Y488 I508K453-D484 IonicContact NZ-OD1 3.67Å; R463-D484 IonicContact CZ-OD1 3.72Å; R463-D484 IonicContact CZ-OD2 3.59Å; R463-D484 IonicContact NH1-OD2 3.6Å; R463-D484 PolarHBondContact NH1-OD2 3.02Å; R463-D484 IonicContact NH2-OD1 2.71Å; R463-D484 PolarHBondContact NH2-OD1 2.79Å; R463-D484 IonicContact NH2-OD2 3.68Å; R463-D484 PolarHBondContact NH2-OD2 2.88Å; F477-D484 HydrophobicContact CE1-CB 4.27Å; M480-D484 HydrophobicContact SD-CB 3.42Å; M480-D484 WeakPolarHBondContact SD-CB 3.46Å; N481-D484 PolarHBondContact N-OD2 2.89Å; N481-D484 VanDerWaalsContact N-OD2 3.1Å; N481-D484 WeakPolarHBondContact O-CB 3.49Å; N481-D484 PolarHBondContact O-N 2.71Å; E482-D484 PolarHBondContact O-N 3.16Å; E482-D484 VanDerWaalsContact O-N 3.08Å; D484-Y488 VanDerWaalsContact O-CE2 3.26Å; D484-Y488 WeakPolarHBondContact O-CE2 3.37Å; D484-Y488 PolarHBondContact O-OH 3.24Å; D484-I508 HydrophobicContact CB-CD1 3.63Å
485N91.7Very high91.8Very high59 Ų5940.3 Ų40.332%0.31622%0.216SC..  trans-52.9142.2169.1-81.5-71.1000112.4E482 D483 V506 T507 I508E482-N485 PolarHBondContact O-N 2.9Å; E482-N485 PolarHBondContact O-ND2 3.48Å; D483-N485 VanDerWaalsContact C-N 3.3Å; D483-N485 PolarHBondContact O-N 2.75Å; N485-V506 PolarHBondContact OD1-O 2.84Å; N485-T507 WeakPolarHBondContact OD1-CA 3.27Å; N485-I508 PolarHBondContact OD1-N 2.64Å
486G92.5Very high91.4Very high9 Ų946.3 Ų46.39%0.09325%0.245CC..EExtended strand (participates in β ladder)trans138.1-174.5172.400000115.4N454 Y488 V506N454-G486 VanDerWaalsContact OD1-CA 3.29Å; N454-G486 WeakPolarHBondContact OD1-CA 3.28Å; G486-Y488 WeakPolarHBondContact O-CD2 3.5Å; G486-V506 PolarHBondContact N-O 2.84Å; G486-V506 VanDerWaalsContact N-O 3.09Å; G486-V506 PolarHBondContact O-N 2.92Å
487D94.9Very high91.2Very high61 Ų6144.1 Ų44.133%0.32624%0.24SC..EExtended strand (participates in β ladder)trans-94.6113.8-176.3-70.1-71.3000111.5K453 N454 C504 H505K453-D487 WeakPolarHBondContact CA-O 3.28Å; N454-D487 PolarHBondContact N-O 2.88Å; N454-D487 PolarHBondContact OD1-N 3.49Å; D487-C504 WeakPolarHBondContact CA-O 3.32Å; D487-H505 WeakPolarHBondContact OD1-CB 3.43Å; D487-H505 IonicContact OD1-CG 2.72Å; D487-H505 IonicContact OD1-ND1 2.92Å; D487-H505 PolarHBondContact OD1-ND1 2.78Å; D487-H505 IonicContact OD2-CE1 2.91Å; D487-H505 IonicContact OD2-ND1 3.08Å; D487-H505 PolarHBondContact OD2-ND1 2.87Å
488Y95.2Very high91.1Very high1 Ų150.3 Ų50.30%0.00427%0.269CS..EExtended strand (participates in β ladder)trans-99.6128.7177.7-67.4-97.4000110.9I435 Y452 K453 L458 L475 F477 D484 G486 S503 C504 V506I435-Y488 HydrophobicContact CD1-CD1 4.34Å; I435-Y488 HydrophobicContact CD1-CD2 4.05Å; I435-Y488 HydrophobicContact CD1-CG 3.82Å; Y452-Y488 CarbonylContact O-C 3.51Å; Y452-Y488 VanDerWaalsContact O-CA 3.32Å; Y452-Y488 WeakPolarHBondContact O-CA 3.33Å; K453-Y488 HydrophobicContact CB-CD1 4.05Å; K453-Y488 HydrophobicContact CB-CE1 3.81Å; K453-Y488 HydrophobicContact CD-CE1 3.8Å; K453-Y488 WeakPolarHBondContact CD-OH 3.41Å; K453-Y488 WeakPolarHBondContact CE-OH 3.26Å; K453-Y488 HydrophobicContact CG-CD1 4.3Å; K453-Y488 HydrophobicContact CG-CE1 3.76Å; K453-Y488 HydrophobicContact CG-CE2 4.28Å; K453-Y488 PolarHBondContact NZ-OH 3.24Å; L458-Y488 HydrophobicContact CD1-CE1 4.2Å; L475-Y488 HydrophobicContact CD2-CD1 3.66Å; L475-Y488 HydrophobicContact CD2-CE1 4.1Å; F477-Y488 HydrophobicContact CE2-CE1 4.37Å; F477-Y488 AromaticContact CZ-CE1 3.75Å; F477-Y488 HydrophobicContact CZ-CE1 3.75Å; F477-Y488 AromaticContact CZ-CZ 3.84Å; D484-Y488 VanDerWaalsContact O-CE2 3.26Å; D484-Y488 WeakPolarHBondContact O-CE2 3.37Å; D484-Y488 PolarHBondContact O-OH 3.24Å; G486-Y488 WeakPolarHBondContact O-CD2 3.5Å; Y488-S503 CarbonylContact O-C 3.52Å; Y488-S503 VanDerWaalsContact O-CA 3.29Å; Y488-S503 WeakPolarHBondContact O-CA 3.48Å; Y488-C504 PolarHBondContact N-O 3.12Å; Y488-C504 PolarHBondContact O-N 2.88Å; Y488-V506 HydrophobicContact CD2-CB 4.03Å; Y488-V506 HydrophobicContact CD2-CG2 3.47Å; Y488-V506 VanDerWaalsContact CD2-CG2 3.47Å; Y488-V506 HydrophobicContact CE2-CB 3.84Å; Y488-V506 HydrophobicContact CE2-CG2 3.66Å
489S94.7Very high91.3Very high10 Ų1046.8 Ų46.87%0.0725%0.251CS..EExtended strand (participates in β ladder)trans-133.3161.3171.8620000110.1Y452 Q500Y452-S489 PolarHBondContact N-O 3.43Å; Y452-S489 PolarHBondContact O-N 3.01Å; S489-Q500 PolarHBondContact OG-NE2 2.93Å
490C93.3Very high91.6Very high0 Ų047.3 Ų47.30%026%0.256CS..EExtended strand (participates in β ladder)trans-121144.4168.551.50000110.9F417 A437 V449 E450 W451 S501F417-C490 WeakPolarHBondContact CE1-SG 3.3Å; F417-C490 WeakPolarHBondContact CE2-O 3.39Å; F417-C490 HydrophobicContact CZ-CB 4.31Å; F417-C490 WeakPolarHBondContact CZ-O 3.44Å; F417-C490 VanDerWaalsContact CZ-SG 3.51Å; A437-C490 VanDerWaalsContact CB-SG 3.55Å; V449-C490 HydrophobicContact CG1-CB 3.92Å; E450-C490 CarbonylContact O-C 3.59Å; E450-C490 WeakPolarHBondContact O-CA 3.35Å; E450-C490 WeakPolarHBondContact O-CB 3.36Å; W451-C490 HydrophobicContact CD2-CB 3.78Å; W451-C490 HydrophobicContact CE3-CB 3.81Å; W451-C490 HydrophobicContact CG-CB 4.31Å; W451-C490 HydrophobicContact CH2-CB 4.3Å; W451-C490 HydrophobicContact CZ2-CB 4.27Å; W451-C490 HydrophobicContact CZ3-CB 4.08Å; C490-S501 PolarHBondContact N-OG 3.15Å; C490-S501 PolarHBondContact O-N 3.49Å
491V95.1Very high91.7Very high9 Ų947.6 Ų47.66%0.05526%0.259CS..EExtended strand (participates in β ladder)trans-112.1125.9178.4178.40000107.1V449 E450 Y452 Q498 D499 Q500V449-V491 WeakPolarHBondContact CA-O 3.25Å; E450-V491 PolarHBondContact N-O 2.89Å; E450-V491 PolarHBondContact O-N 3.11Å; Y452-V491 HydrophobicContact CD2-CB 4.31Å; Y452-V491 HydrophobicContact CD2-CG2 3.73Å; Y452-V491 HydrophobicContact CE2-CB 3.86Å; Y452-V491 HydrophobicContact CE2-CG2 3.55Å; V491-Q498 VanDerWaalsContact CG1-CD 3.42Å; V491-Q498 HydrophobicContact CG1-CG 3.5Å; V491-D499 WeakPolarHBondContact CA-O 3.12Å; V491-Q500 HydrophobicContact CG2-CB 4.35Å; V491-Q500 HydrophobicContact CG2-CG 3.94Å
492A93.9Very high91.9Very high0 Ų048.6 Ų48.60%027%0.268CS..EExtended strand (participates in β ladder)trans-108.7131.817700000109.2P415 F417 V439 L447 V448 V449 Q498 D499P415-A492 HydrophobicContact CB-CB 3.93Å; P415-A492 VanDerWaalsContact CG-O 3.25Å; P415-A492 WeakPolarHBondContact CG-O 3.38Å; F417-A492 HydrophobicContact CE2-CB 3.8Å; F417-A492 HydrophobicContact CZ-CB 3.73Å; V439-A492 HydrophobicContact CB-CB 4.38Å; V439-A492 HydrophobicContact CG2-CB 3.82Å; L447-A492 HydrophobicContact CD1-CB 4.15Å; V448-A492 CarbonylContact O-C 3.55Å; V448-A492 WeakPolarHBondContact O-CA 3.12Å; V449-A492 HydrophobicContact CG2-CB 4.04Å; A492-Q498 CarbonylContact O-C 3.59Å; A492-Q498 VanDerWaalsContact O-CA 3.3Å; A492-Q498 WeakPolarHBondContact O-CA 3.44Å; A492-D499 PolarHBondContact N-O 3.26Å; A492-D499 PolarHBondContact O-N 2.96Å
493T92.9Very high92.2Very high50 Ų5047.1 Ų47.131%0.30727%0.267SS..EExtended strand (participates in β ladder)trans-132.7136.3-176.6-49.10000109.9L447 V448 G497 Q498L447-T493 WeakPolarHBondContact CA-O 3.31Å; V448-T493 PolarHBondContact N-O 2.99Å; V448-T493 PolarHBondContact O-N 2.85Å; T493-G497 WeakPolarHBondContact CA-O 3.36Å; T493-Q498 HydrophobicContact CG2-CB 4.34Å; T493-Q498 PolarHBondContact OG1-NE2 2.84Å
494N91.1Very high92.4Very high14 Ų1441.2 Ų41.28%0.07524%0.236CC..EExtended strand (participates in β ladder)trans-139.8-176.2171.779.1-2.5000111.5G413 P415 D444 L447 Q496 G497G413-N494 PolarHBondContact O-ND2 2.89Å; P415-N494 VanDerWaalsContact CD-OD1 3.3Å; P415-N494 WeakPolarHBondContact CD-OD1 3.43Å; D444-N494 WeakPolarHBondContact OD2-CB 3.43Å; D444-N494 PolarHBondContact OD2-ND2 2.92Å; L447-N494 HydrophobicContact CB-CB 4.36Å; L447-N494 HydrophobicContact CD1-CB 4.12Å; N494-Q496 PolarHBondContact O-N 2.84Å; N494-Q496 WeakPolarHBondContact OD1-CA 3.33Å; N494-Q496 WeakPolarHBondContact OD1-CB 3.47Å; N494-Q496 PolarHBondContact OD1-N 2.88Å; N494-G497 PolarHBondContact N-O 2.92Å; N494-G497 PolarHBondContact O-N 3.07Å; N494-G497 PolarHBondContact OD1-N 3.11Å
495S88.6Confident92.6Very high81 Ų8144.5 Ų44.557%0.56625%0.251SS*.THydrogen-bonded Turntrans-59.9-13.1178.461.70000116T446T446-S495 PolarHBondContact OG1-N 3.14Å; T446-S495 PolarHBondContact OG1-OG 2.86Å
496Q85.5Confident92.6Very high126 Ų12641.8 Ų41.859%0.58924%0.237SC*.THydrogen-bonded Turntrans-109.9-11.8-177.7-59.1-58.9-63.800113.8P414 N494P414-Q496 HydrophobicContact CB-CB 4.46Å; N494-Q496 PolarHBondContact O-N 2.84Å; N494-Q496 WeakPolarHBondContact OD1-CA 3.33Å; N494-Q496 WeakPolarHBondContact OD1-CB 3.47Å; N494-Q496 PolarHBondContact OD1-N 2.88Å
497G89.7Confident92.6Very high29 Ų2943.4 Ų43.430%0.29925%0.245SC..EExtended strand (participates in β ladder)trans160.3-164.3178.200000115P415 T493 N494P415-G497 VanDerWaalsContact CD-C 3.48Å; P415-G497 WeakPolarHBondContact CD-O 3.29Å; T493-G497 WeakPolarHBondContact CA-O 3.36Å; N494-G497 PolarHBondContact N-O 2.92Å; N494-G497 PolarHBondContact O-N 3.07Å; N494-G497 PolarHBondContact OD1-N 3.11Å
498Q93.3Very high92.4Very high131 Ų13140.9 Ų40.961%0.61223%0.231SC*.EExtended strand (participates in β ladder)trans-137.3145.3-180-177.7173.286.500110.2V491 A492 T493V491-Q498 VanDerWaalsContact CG1-CD 3.42Å; V491-Q498 HydrophobicContact CG1-CG 3.5Å; A492-Q498 CarbonylContact O-C 3.59Å; A492-Q498 VanDerWaalsContact O-CA 3.3Å; A492-Q498 WeakPolarHBondContact O-CA 3.44Å; T493-Q498 HydrophobicContact CG2-CB 4.34Å; T493-Q498 PolarHBondContact OG1-NE2 2.84Å
499D94.3Very high91.9Very high51 Ų5145.7 Ų45.727%0.27326%0.256SS..EExtended strand (participates in β ladder)trans-138.6155.7174.5-175.231.1000109.8P415 Q416 F417 V491 A492P415-D499 HydrophobicContact CB-CB 4.17Å; P415-D499 HydrophobicContact CG-CB 3.95Å; P415-D499 VanDerWaalsContact O-CB 3.32Å; P415-D499 WeakPolarHBondContact O-CB 3.26Å; Q416-D499 VanDerWaalsContact CA-OD2 3.28Å; Q416-D499 WeakPolarHBondContact CA-OD2 3.39Å; F417-D499 HydrophobicContact CD2-CB 4.39Å; F417-D499 WeakPolarHBondContact CD2-OD2 3.36Å; F417-D499 PolarHBondContact N-OD2 2.98Å; V491-D499 WeakPolarHBondContact CA-O 3.12Å; A492-D499 PolarHBondContact N-O 3.26Å; A492-D499 PolarHBondContact O-N 2.96Å
500Q94Very high90.8Very high111 Ų11148.3 Ų48.352%0.51927%0.273SS..EExtended strand (participates in β ladder)trans-129.4134.6-176.8-175.4173.61900110.6S489 V491S489-Q500 PolarHBondContact OG-NE2 2.93Å; V491-Q500 HydrophobicContact CG2-CB 4.35Å; V491-Q500 HydrophobicContact CG2-CG 3.94Å
501S93.2Very high89.5Confident7 Ų755.1 Ų55.15%0.04931%0.305CS..PPolyproline II helixtrans-68.2157.5176.583.30000111.7F417 P421 C490F417-S501 VanDerWaalsContact CE2-N 3.34Å; P421-S501 VanDerWaalsContact CD-CB 3.48Å; P421-S501 WeakPolarHBondContact CD-OG 3.38Å; C490-S501 PolarHBondContact N-OG 3.15Å; C490-S501 PolarHBondContact O-N 3.49Å
502S92.1Very high87.6Confident56 Ų5664.6 Ų64.639%0.39235%0.348SS..PPolyproline II helixtrans-57.6153.915963.80000110.2H420H420-S502 WeakPolarHBondContact CB-OG 3.36Å
503S91.5Very high85.8Confident55 Ų5568 Ų6839%0.38538%0.383SS..PPolyproline II helixtrans-71.3148.7172.851.90000111.8Y488Y488-S503 CarbonylContact O-C 3.52Å; Y488-S503 VanDerWaalsContact O-CA 3.29Å; Y488-S503 WeakPolarHBondContact O-CA 3.48Å
504C92.8Very high84Confident1 Ų169.5 Ų69.51%0.00739%0.392CS..EExtended strand (participates in β ladder)trans-101.9113.6160.9173.80000107.6P421 V422 I435 D487 Y488 V506P421-C504 HydrophobicContact CB-CB 3.65Å; V422-C504 VanDerWaalsContact O-CA 3.28Å; V422-C504 WeakPolarHBondContact O-CA 3.17Å; V422-C504 WeakPolarHBondContact O-CB 3.24Å; V422-C504 PolarHBondContact O-SG 2.74Å; I435-C504 HydrophobicContact CG2-CB 4Å; D487-C504 WeakPolarHBondContact CA-O 3.32Å; Y488-C504 PolarHBondContact N-O 3.12Å; Y488-C504 PolarHBondContact O-N 2.88Å; C504-V506 PolarHBondContact O-N 3.5Å
505H93.8Very high82.2Confident74 Ų7473.4 Ų73.434%0.34342%0.416SS..EExtended strand (participates in β ladder)trans-81.9105.2174.8-167.976.7000109.8G423 Q424 L425 D487 T507G423-H505 PolarHBondContact O-N 3.49Å; Q424-H505 CarbonylContact C-O 3.48Å; Q424-H505 WeakPolarHBondContact CA-O 3.29Å; Q424-H505 HydrophobicContact CG-CB 4.49Å; L425-H505 PolarHBondContact N-O 3.39Å; D487-H505 WeakPolarHBondContact OD1-CB 3.43Å; D487-H505 IonicContact OD1-CG 2.72Å; D487-H505 IonicContact OD1-ND1 2.92Å; D487-H505 PolarHBondContact OD1-ND1 2.78Å; D487-H505 IonicContact OD2-CE1 2.91Å; D487-H505 IonicContact OD2-ND1 3.08Å; D487-H505 PolarHBondContact OD2-ND1 2.87Å; H505-T507 PolarHBondContact CD2-OG1 2.99Å
506V93.2Very high80.7Confident1 Ų171.9 Ų71.91%0.00640%0.404CS..EExtended strand (participates in β ladder)trans-87.7120.5177.3176.70000109.2L425 I435 M480 N485 G486 Y488 C504 I508L425-V506 HydrophobicContact CB-CG2 4.39Å; L425-V506 HydrophobicContact CD2-CG2 4.45Å; L425-V506 WeakPolarHBondContact O-CA 3.48Å; I435-V506 HydrophobicContact CD1-CG2 3.79Å; M480-V506 HydrophobicContact CE-CG1 3.97Å; N485-V506 PolarHBondContact OD1-O 2.84Å; G486-V506 PolarHBondContact N-O 2.84Å; G486-V506 VanDerWaalsContact N-O 3.09Å; G486-V506 PolarHBondContact O-N 2.92Å; Y488-V506 HydrophobicContact CD2-CB 4.03Å; Y488-V506 HydrophobicContact CD2-CG2 3.47Å; Y488-V506 VanDerWaalsContact CD2-CG2 3.47Å; Y488-V506 HydrophobicContact CE2-CB 3.84Å; Y488-V506 HydrophobicContact CE2-CG2 3.66Å; C504-V506 PolarHBondContact O-N 3.5Å; V506-I508 HydrophobicContact CG1-CD1 4.25Å; V506-I508 HydrophobicContact CG1-CG1 4.04Å
507T92.5Very high79.3Confident43 Ų4372.7 Ų72.726%0.26441%0.407SS..EExtended strand (participates in β ladder)trans-116.1121.8174.6-47.80000109.4L425 T426 I427 N485 H505L425-T507 PolarHBondContact O-N 2.95Å; T426-T507 VanDerWaalsContact CA-O 3.26Å; T426-T507 WeakPolarHBondContact CA-O 3.41Å; I427-T507 PolarHBondContact N-O 2.81Å; N485-T507 WeakPolarHBondContact OD1-CA 3.27Å; H505-T507 PolarHBondContact CD2-OG1 2.99Å
508I89.6Confident77.9Confident9 Ų975.9 Ų75.95%0.04642%0.421CS..EExtended strand (participates in β ladder)trans-103.8131.3-178.1-63166000109.1I427 E429 M480 N481 D484 N485 V506 P510I427-I508 CarbonylContact O-C 3.58Å; I427-I508 WeakPolarHBondContact O-CA 3.37Å; E429-I508 HydrophobicContact CB-CG2 4.13Å; M480-I508 HydrophobicContact CB-CD1 3.97Å; M480-I508 HydrophobicContact CB-CG1 4.46Å; M480-I508 HydrophobicContact CG-CD1 4.33Å; M480-I508 HydrophobicContact SD-CD1 3.87Å; N481-I508 WeakPolarHBondContact O-CD1 3.19Å; D484-I508 HydrophobicContact CB-CD1 3.63Å; N485-I508 PolarHBondContact OD1-N 2.64Å; V506-I508 HydrophobicContact CG1-CD1 4.25Å; V506-I508 HydrophobicContact CG1-CG1 4.04Å; I508-P510 WeakPolarHBondContact O-CD 3.48Å
509I84.8Confident76.3Confident101 Ų10176.2 Ų76.252%0.51842%0.422SS..EExtended strand (participates in β ladder)trans-91.2110.9174.2-57.7174.3000106.7T426 I427 A428 E429T426-I509 HydrophobicContact CG2-CD1 3.8Å; T426-I509 HydrophobicContact CG2-CG1 3.91Å; I427-I509 PolarHBondContact O-N 3.27Å; A428-I509 WeakPolarHBondContact CA-O 3.41Å; E429-I509 PolarHBondContact N-O 2.68Å
510P71.6Confident74.5Confident66 Ų6678.8 Ų78.843%0.42944%0.436SS..  trans-68.6148.9178.128.7-34.4000111.1E482 I508E482-P510 HydrophobicContact CG-CB 4.21Å; E482-P510 VanDerWaalsContact OE1-CB 3.3Å; E482-P510 WeakPolarHBondContact OE1-CB 3.31Å; I508-P510 WeakPolarHBondContact O-CD 3.48Å
511E65.7Low72.9Confident143 Ų14377.4 Ų77.467%0.66844%0.437SS*.  trans-91.1127.7171-170169-149.400109.4G513 V514E511-G513 VanDerWaalsContact C-N 3.3Å; E511-G513 PolarHBondContact O-N 2.91Å; E511-V514 PolarHBondContact O-N 3.45Å
512E56.3Low71.3Confident208 Ų20885.2 Ų85.297%0.97247%0.472SS*.THydrogen-bonded Turntrans-64.883-176.2-72.3-170.1169.300112.2
513G56.5Low69.6Low70 Ų7091.5 Ų91.572%0.72250%0.495SS*.THydrogen-bonded Turntrans161.8-16.8176.400000116.1E511E511-G513 VanDerWaalsContact C-N 3.3Å; E511-G513 PolarHBondContact O-N 2.91Å
514V53.1Low68.1Low82 Ų8291 Ų9150%0.49749%0.492SS..  trans-88.2120.7-179.3-172.40000110.5E511 T516E511-V514 PolarHBondContact O-N 3.45Å; V514-T516 HydrophobicContact CG1-CG2 3.93Å
515V53.9Low66.3Low96 Ų9694 Ų9458%0.58251%0.507SS*.  trans-9892.6172.5-1760000108.3E517 Q519V515-E517 HydrophobicContact CG1-CB 4.3Å; V515-Q519 HydrophobicContact CG1-CG 3.54Å; V515-Q519 VanDerWaalsContact CG1-NE2 3.29Å
516T57Low64.9Low50 Ų5096.9 Ų96.931%0.30752%0.523SS..  trans-76-30175.948.50000112.4E429 V514 T518E429-T516 VanDerWaalsContact OE1-CG2 3.3Å; E429-T516 WeakPolarHBondContact OE1-CG2 3.43Å; V514-T516 HydrophobicContact CG1-CG2 3.93Å; T516-T518 PolarHBondContact O-N 2.92Å
517E56.2Low63.6Low143 Ų14399 Ų9967%0.66854%0.541SS*.SBendtrans-54.4131.2170.7-65.3-175.1-82.300111.5V515 Q519V515-E517 HydrophobicContact CG1-CB 4.3Å; E517-Q519 PolarHBondContact O-N 3.48Å
518T61.5Low62.2Low95 Ų95101.4 Ų101.458%0.58355%0.552SS**  trans-68.7102.4171.7-69.40000109.8T516 L520 M525T516-T518 PolarHBondContact O-N 2.92Å; T518-L520 HydrophobicContact CG2-CB 3.79Å; T518-L520 HydrophobicContact CG2-CD1 4.15Å; T518-L520 HydrophobicContact CG2-CG 3.99Å; T518-L520 PolarHBondContact O-N 3.46Å; T518-M525 HydrophobicContact CG2-SD 3.91Å
519Q57.8Low61Low138 Ų138104.8 Ų104.865%0.64557%0.57SS**  trans-71.324.9178.5-62.4-63.5-47.300114.1V515 E517V515-Q519 HydrophobicContact CG1-CG 3.54Å; V515-Q519 VanDerWaalsContact CG1-NE2 3.29Å; E517-Q519 PolarHBondContact O-N 3.48Å
520L56.5Low60.5Low105 Ų105102.3 Ų102.355%0.5557%0.565SS.*SBendtrans-105.8127.2172.6-55.7175.4000107.4T518 E522 M525T518-L520 HydrophobicContact CG2-CB 3.79Å; T518-L520 HydrophobicContact CG2-CD1 4.15Å; T518-L520 HydrophobicContact CG2-CG 3.99Å; T518-L520 PolarHBondContact O-N 3.46Å; L520-E522 PolarHBondContact O-N 3.5Å; L520-M525 HydrophobicContact CB-CB 4.44Å; L520-M525 HydrophobicContact CB-CG 4.43Å; L520-M525 HydrophobicContact CB-SD 4.2Å; L520-M525 HydrophobicContact CD1-CG 4.29Å; L520-M525 HydrophobicContact CD1-SD 3.91Å
521P61.1Low60.5Low83 Ų83105.4 Ų105.454%0.53958%0.575SS.*  trans-62126.2-176.1-18.429.1000110.9E523 S524 M525P521-E523 PolarHBondContact O-N 2.95Å; P521-S524 CarbonylContact O-C 3.59Å; P521-S524 VanDerWaalsContact O-C 3.31Å; P521-S524 VanDerWaalsContact O-CA 3.28Å; P521-S524 WeakPolarHBondContact O-CA 3.34Å; P521-S524 WeakPolarHBondContact O-CB 3.4Å; P521-S524 PolarHBondContact O-N 3.06Å; P521-M525 PolarHBondContact O-N 2.76Å
522E59.6Low60.2Low171 Ų171103.9 Ų103.980%0.79957%0.569SS**Hα-helixtrans-54.4-53.1-165.3-167175.3-147.700113.6L520 S524 M525L520-E522 PolarHBondContact O-N 3.5Å; E522-S524 PolarHBondContact O-N 2.9Å; E522-M525 PolarHBondContact O-N 2.69Å; E522-M525 VanDerWaalsContact O-N 3.16Å
523E57.3Low60.7Low187 Ų18799.7 Ų99.787%0.87455%0.549SS*.Hα-helixtrans-64.4-25.4175.3-60.8-171.6145.300113.1P521P521-E523 PolarHBondContact O-N 2.95Å
524S60Low61.3Low46 Ų4699.1 Ų99.132%0.32253%0.53SS..Hα-helixtrans-88.7-12.8177.7-530000113P521 E522 N528P521-S524 CarbonylContact O-C 3.59Å; P521-S524 VanDerWaalsContact O-C 3.31Å; P521-S524 VanDerWaalsContact O-CA 3.28Å; P521-S524 WeakPolarHBondContact O-CA 3.34Å; P521-S524 WeakPolarHBondContact O-CB 3.4Å; P521-S524 PolarHBondContact O-N 3.06Å; E522-S524 PolarHBondContact O-N 2.9Å; S524-N528 WeakPolarHBondContact O-CA 3.45Å; S524-N528 WeakPolarHBondContact O-CB 3.47Å; S524-N528 PolarHBondContact O-N 3.1Å; S524-N528 PolarHBondContact O-ND2 3.11Å
525M55Low61.8Low63 Ų6399 Ų9931%0.3152%0.524SS..Hα-helixtrans-71.8-51.2-174.5-178.5166.157.500111.1T518 L520 P521 E522 A527 L529T518-M525 HydrophobicContact CG2-SD 3.91Å; L520-M525 HydrophobicContact CB-CB 4.44Å; L520-M525 HydrophobicContact CB-CG 4.43Å; L520-M525 HydrophobicContact CB-SD 4.2Å; L520-M525 HydrophobicContact CD1-CG 4.29Å; L520-M525 HydrophobicContact CD1-SD 3.91Å; P521-M525 PolarHBondContact O-N 2.76Å; E522-M525 PolarHBondContact O-N 2.69Å; E522-M525 VanDerWaalsContact O-N 3.16Å; M525-A527 VanDerWaalsContact C-N 3.32Å; M525-A527 PolarHBondContact O-N 3.49Å; M525-L529 HydrophobicContact CG-CD1 3.95Å; M525-L529 VanDerWaalsContact O-CB 3.25Å; M525-L529 WeakPolarHBondContact O-CB 3.38Å; M525-L529 VanDerWaalsContact O-CG 3.23Å; M525-L529 WeakPolarHBondContact O-CG 3.3Å; M525-L529 PolarHBondContact O-N 2.87Å
526I63.2Low62.1Low135 Ų13599 Ų9969%0.69252%0.52SS*.Hα-helixtrans-65.4-38.8175.5-61.9171.3000110.4A530I526-A530 WeakPolarHBondContact O-CB 3.46Å; I526-A530 PolarHBondContact O-N 2.96Å
527A66.4Low62.4Low45 Ų45101.7 Ų101.737%0.37254%0.536SS..Hα-helixtrans-67.1-45178.600000112.5M525 M531M525-A527 VanDerWaalsContact C-N 3.32Å; M525-A527 PolarHBondContact O-N 3.49Å; A527-M531 WeakPolarHBondContact O-CB 3.44Å; A527-M531 WeakPolarHBondContact O-CG 3.44Å; A527-M531 PolarHBondContact O-N 2.83Å
528N62.5Low62.7Low93 Ų93103.4 Ų103.450%0.49754%0.536SS..Hα-helixtrans-73.2-34.4178-69.9-23000112S524 M532S524-N528 WeakPolarHBondContact O-CA 3.45Å; S524-N528 WeakPolarHBondContact O-CB 3.47Å; S524-N528 PolarHBondContact O-N 3.1Å; S524-N528 PolarHBondContact O-ND2 3.11Å; N528-M532 WeakPolarHBondContact O-CA 3.15Å; N528-M532 WeakPolarHBondContact O-CB 3.47Å; N528-M532 PolarHBondContact O-N 2.8Å
529L65.8Low62.6Low81 Ų81102.4 Ų102.442%0.42453%0.528SS..Hα-helixtrans-62.4-54.1170.6-76.1168.2000109.7M525 M531 M532 E533M525-L529 HydrophobicContact CG-CD1 3.95Å; M525-L529 VanDerWaalsContact O-CB 3.25Å; M525-L529 WeakPolarHBondContact O-CB 3.38Å; M525-L529 VanDerWaalsContact O-CG 3.23Å; M525-L529 WeakPolarHBondContact O-CG 3.3Å; M525-L529 PolarHBondContact O-N 2.87Å; L529-M531 VanDerWaalsContact C-N 3.33Å; L529-M531 PolarHBondContact O-N 3.05Å; L529-M532 HydrophobicContact CD2-CE 4.41Å; L529-M532 PolarHBondContact O-N 2.84Å; L529-M532 VanDerWaalsContact O-N 3.09Å; L529-E533 WeakPolarHBondContact O-CB 3.33Å; L529-E533 VanDerWaalsContact O-CG 3.3Å; L529-E533 WeakPolarHBondContact O-CG 3.38Å; L529-E533 PolarHBondContact O-N 2.79Å
530A73.1Confident62.1Low49 Ų4996.2 Ų96.241%0.40550%0.501SS..Hα-helixtrans-60.9-38.5178.200000112.7I526 D534I526-A530 WeakPolarHBondContact O-CB 3.46Å; I526-A530 PolarHBondContact O-N 2.96Å; A530-D534 WeakPolarHBondContact O-CB 3.36Å; A530-D534 PolarHBondContact O-N 2.89Å
531M71.1Confident61.8Low130 Ų13096.9 Ų96.964%0.6450%0.504SS*.Hα-helixtrans-73.6-28.3175.4-74-178.670.300113A527 L529 H535A527-M531 WeakPolarHBondContact O-CB 3.44Å; A527-M531 WeakPolarHBondContact O-CG 3.44Å; A527-M531 PolarHBondContact O-N 2.83Å; L529-M531 VanDerWaalsContact C-N 3.33Å; L529-M531 PolarHBondContact O-N 3.05Å; M531-H535 WeakPolarHBondContact O-CB 3.5Å; M531-H535 PolarHBondContact O-N 2.82Å
532M60.6Low61.3Low111 Ų11196.9 Ų96.955%0.54750%0.499SS..Hα-helixtrans-79.8-39.9175.7-173.9171.168.200110.8N528 L529 H535 L536N528-M532 WeakPolarHBondContact O-CA 3.15Å; N528-M532 WeakPolarHBondContact O-CB 3.47Å; N528-M532 PolarHBondContact O-N 2.8Å; L529-M532 HydrophobicContact CD2-CE 4.41Å; L529-M532 PolarHBondContact O-N 2.84Å; L529-M532 VanDerWaalsContact O-N 3.09Å; M532-H535 CarbonylContact O-C 3.56Å; M532-H535 PolarHBondContact O-N 2.61Å; M532-L536 HydrophobicContact CG-CD1 4.13Å; M532-L536 VanDerWaalsContact O-CB 3.28Å; M532-L536 WeakPolarHBondContact O-CB 3.4Å; M532-L536 WeakPolarHBondContact O-CD1 3.39Å; M532-L536 WeakPolarHBondContact O-CG 3.2Å; M532-L536 PolarHBondContact O-N 3.12Å
533E66.5Low60.8Low120 Ų12095.5 Ų95.556%0.56149%0.487SS*.Hα-helixtrans-60.2-49.5168.6-72.3173.2166.100110.6L529 H535 L536 V537L529-E533 WeakPolarHBondContact O-CB 3.33Å; L529-E533 VanDerWaalsContact O-CG 3.3Å; L529-E533 WeakPolarHBondContact O-CG 3.38Å; L529-E533 PolarHBondContact O-N 2.79Å; E533-H535 PolarHBondContact O-N 3.02Å; E533-L536 CarbonylContact O-C 3.44Å; E533-L536 WeakPolarHBondContact O-CA 3.34Å; E533-L536 WeakPolarHBondContact O-CB 3.28Å; E533-L536 PolarHBondContact O-N 2.91Å; E533-V537 WeakPolarHBondContact O-CG2 3.43Å; E533-V537 PolarHBondContact O-N 3.1Å
534D69.8Low60.3Low58 Ų5889.5 Ų89.531%0.3147%0.469SS..Hα-helixtrans-62.1-39.7174.9177.373.8000112.2A530 L536 V537 R538A530-D534 WeakPolarHBondContact O-CB 3.36Å; A530-D534 PolarHBondContact O-N 2.89Å; D534-L536 VanDerWaalsContact C-N 3.31Å; D534-L536 PolarHBondContact O-N 2.85Å; D534-V537 PolarHBondContact O-N 2.96Å; D534-R538 VanDerWaalsContact O-CB 3.31Å; D534-R538 WeakPolarHBondContact O-CB 3.23Å; D534-R538 VanDerWaalsContact O-CG 3.25Å; D534-R538 WeakPolarHBondContact O-CG 3.36Å; D534-R538 PolarHBondContact O-N 3.36Å; D534-R538 IonicContact OD1-CZ 3.16Å; D534-R538 IonicContact OD1-NE 3.58Å; D534-R538 PolarHBondContact OD1-NE 2.91Å; D534-R538 IonicContact OD1-NH2 2.85Å; D534-R538 PolarHBondContact OD1-NH2 2.88Å; D534-R538 IonicContact OD2-CZ 2.71Å; D534-R538 IonicContact OD2-NE 2.74Å; D534-R538 PolarHBondContact OD2-NE 2.79Å; D534-R538 IonicContact OD2-NH1 2.99Å; D534-R538 IonicContact OD2-NH2 2.64Å; D534-R538 PolarHBondContact OD2-NH2 3.2Å
535H62.1Low59.7Low81 Ų8191.4 Ų91.438%0.37548%0.476SS..Hα-helixtrans-69.1-27.3172-178.6-83.4000112.4M531 M532 E533 N539 G540M531-H535 WeakPolarHBondContact O-CB 3.5Å; M531-H535 PolarHBondContact O-N 2.82Å; M532-H535 CarbonylContact O-C 3.56Å; M532-H535 PolarHBondContact O-N 2.61Å; E533-H535 PolarHBondContact O-N 3.02Å; H535-N539 PolarHBondContact CD2-ND2 2.85Å; H535-N539 PolarHBondContact NE2-ND2 2.9Å; H535-N539 CarbonylContact O-C 3.5Å; H535-N539 VanDerWaalsContact O-CA 3.28Å; H535-N539 WeakPolarHBondContact O-CA 3.31Å; H535-N539 VanDerWaalsContact O-CB 3.24Å; H535-N539 WeakPolarHBondContact O-CB 3.26Å; H535-N539 PolarHBondContact O-N 2.76Å; H535-G540 PolarHBondContact O-N 3.37Å
536L61Low59.4Low94 Ų9495.2 Ų95.249%0.49249%0.487SS..Hα-helixtrans-79.1-31.1173.1-74.3165.7000112M532 E533 D534 G540 L541M532-L536 HydrophobicContact CG-CD1 4.13Å; M532-L536 VanDerWaalsContact O-CB 3.28Å; M532-L536 WeakPolarHBondContact O-CB 3.4Å; M532-L536 WeakPolarHBondContact O-CD1 3.39Å; M532-L536 WeakPolarHBondContact O-CG 3.2Å; M532-L536 PolarHBondContact O-N 3.12Å; E533-L536 CarbonylContact O-C 3.44Å; E533-L536 WeakPolarHBondContact O-CA 3.34Å; E533-L536 WeakPolarHBondContact O-CB 3.28Å; E533-L536 PolarHBondContact O-N 2.91Å; D534-L536 VanDerWaalsContact C-N 3.31Å; D534-L536 PolarHBondContact O-N 2.85Å; L536-G540 CarbonylContact O-C 3.59Å; L536-G540 VanDerWaalsContact O-C 3.28Å; L536-G540 WeakPolarHBondContact O-CA 3.33Å; L536-G540 PolarHBondContact O-N 2.84Å; L536-L541 PolarHBondContact O-N 2.88Å; L536-L541 VanDerWaalsContact O-N 3.12Å
537V63.8Low58.6Low107 Ų10798.3 Ų98.365%0.64849%0.491SS*.Hα-helixtrans-72.4-43171.7170.50000110.7E533 D534E533-V537 WeakPolarHBondContact O-CG2 3.43Å; E533-V537 PolarHBondContact O-N 3.1Å; D534-V537 PolarHBondContact O-N 2.96Å
538R62Low57.8Low180 Ų180101.6 Ų101.668%0.67950%0.499SS*.Hα-helixtrans-80.4-39.4-179.2-65.5178.9-163.2-177.613.9114.2D534D534-R538 VanDerWaalsContact O-CB 3.31Å; D534-R538 WeakPolarHBondContact O-CB 3.23Å; D534-R538 VanDerWaalsContact O-CG 3.25Å; D534-R538 WeakPolarHBondContact O-CG 3.36Å; D534-R538 PolarHBondContact O-N 3.36Å; D534-R538 IonicContact OD1-CZ 3.16Å; D534-R538 IonicContact OD1-NE 3.58Å; D534-R538 PolarHBondContact OD1-NE 2.91Å; D534-R538 IonicContact OD1-NH2 2.85Å; D534-R538 PolarHBondContact OD1-NH2 2.88Å; D534-R538 IonicContact OD2-CZ 2.71Å; D534-R538 IonicContact OD2-NE 2.74Å; D534-R538 PolarHBondContact OD2-NE 2.79Å; D534-R538 IonicContact OD2-NH1 2.99Å; D534-R538 IonicContact OD2-NH2 2.64Å; D534-R538 PolarHBondContact OD2-NH2 3.2Å
539N59.9Low57.1Low74 Ų74101.4 Ų101.440%0.39650%0.498SS..Hα-helixtrans-125.22.1-173.1-55.6-26.8000113.6H535 R543H535-N539 PolarHBondContact CD2-ND2 2.85Å; H535-N539 PolarHBondContact NE2-ND2 2.9Å; H535-N539 CarbonylContact O-C 3.5Å; H535-N539 VanDerWaalsContact O-CA 3.28Å; H535-N539 WeakPolarHBondContact O-CA 3.31Å; H535-N539 VanDerWaalsContact O-CB 3.24Å; H535-N539 WeakPolarHBondContact O-CB 3.26Å; H535-N539 PolarHBondContact O-N 2.76Å; N539-R543 PolarHBondContact O-N 3.09Å
540G47.9Very low56.3Low8 Ų8104.5 Ų104.58%0.08252%0.515CS..THydrogen-bonded Turntrans-106.9-28.5-17000000116.1H535 L536 D542 R543 A544H535-G540 PolarHBondContact O-N 3.37Å; L536-G540 CarbonylContact O-C 3.59Å; L536-G540 VanDerWaalsContact O-C 3.28Å; L536-G540 WeakPolarHBondContact O-CA 3.33Å; L536-G540 PolarHBondContact O-N 2.84Å; G540-D542 PolarHBondContact O-N 2.72Å; G540-R543 PolarHBondContact O-N 2.88Å; G540-A544 WeakPolarHBondContact O-CB 3.31Å; G540-A544 PolarHBondContact O-N 2.84Å
541L49.7Very low55.4Low118 Ų118107.1 Ų107.162%0.61852%0.521SS*.Hα-helixtrans-50.3-43.6161.2-77.8170.3000109.7L536 N545L536-L541 PolarHBondContact O-N 2.88Å; L536-L541 VanDerWaalsContact O-N 3.12Å; L541-N545 VanDerWaalsContact O-CB 3.32Å; L541-N545 WeakPolarHBondContact O-CB 3.22Å; L541-N545 PolarHBondContact O-N 3.38Å; L541-N545 PolarHBondContact O-ND2 2.91Å
542D50.2Low54.6Low83 Ų83110 Ų11044%0.44453%0.525SS..Hα-helixtrans-70.9-36.1174.2-9639.2000114.5G540 R546G540-D542 PolarHBondContact O-N 2.72Å; D542-R546 VanDerWaalsContact O-CB 3.29Å; D542-R546 WeakPolarHBondContact O-CB 3.22Å; D542-R546 WeakPolarHBondContact O-CD 3.43Å; D542-R546 WeakPolarHBondContact O-CG 3.44Å; D542-R546 PolarHBondContact O-N 2.93Å; D542-R546 PolarHBondContact O-NE 2.92Å; D542-R546 IonicContact OD2-CZ 2.7Å; D542-R546 IonicContact OD2-NE 3.21Å; D542-R546 IonicContact OD2-NH2 3.49Å; D542-R546 PolarHBondContact OD2-NH2 3.33Å
543R48.5Very low54.4Low142 Ų142106.4 Ų106.454%0.53651%0.51SS..Hα-helixtrans-81.9-27.1-177.7-95.8-171.2173.7104.3-8.6114.4N539 G540N539-R543 PolarHBondContact O-N 3.09Å; G540-R543 PolarHBondContact O-N 2.88Å
544A47.6Very low54.4Low61 Ų61106.7 Ų106.750%0.50452%0.519SS..Hα-helixtrans-69.3-47166.900000110G540 R546 Y547 H548G540-A544 WeakPolarHBondContact O-CB 3.31Å; G540-A544 PolarHBondContact O-N 2.84Å; A544-R546 PolarHBondContact O-N 2.7Å; A544-Y547 PolarHBondContact O-N 2.88Å; A544-H548 PolarHBondContact O-N 3.43Å
545N47.1Very low55Low86 Ų86108.6 Ų108.646%0.4653%0.53SS..Hα-helixtrans-62.1-37.8177.2-73.6-5.2000112.9L541 Y547 H548 D549L541-N545 VanDerWaalsContact O-CB 3.32Å; L541-N545 WeakPolarHBondContact O-CB 3.22Å; L541-N545 PolarHBondContact O-N 3.38Å; L541-N545 PolarHBondContact O-ND2 2.91Å; N545-Y547 PolarHBondContact O-N 3.18Å; N545-Y547 VanDerWaalsContact O-N 3.09Å; N545-H548 CarbonylContact O-C 3.55Å; N545-H548 WeakPolarHBondContact O-CA 3.47Å; N545-H548 WeakPolarHBondContact O-CB 3.35Å; N545-H548 PolarHBondContact O-N 3.13Å; N545-D549 PolarHBondContact O-N 2.6Å
546R47.7Very low56.2Low143 Ų143108.3 Ų108.354%0.5454%0.535SS..Hα-helixtrans-66-8.7177.6-75.6168.1-149.4-164.86.7115.6D542 A544D542-R546 VanDerWaalsContact O-CB 3.29Å; D542-R546 WeakPolarHBondContact O-CB 3.22Å; D542-R546 WeakPolarHBondContact O-CD 3.43Å; D542-R546 WeakPolarHBondContact O-CG 3.44Å; D542-R546 PolarHBondContact O-N 2.93Å; D542-R546 PolarHBondContact O-NE 2.92Å; D542-R546 IonicContact OD2-CZ 2.7Å; D542-R546 IonicContact OD2-NE 3.21Å; D542-R546 IonicContact OD2-NH2 3.49Å; D542-R546 PolarHBondContact OD2-NH2 3.33Å; A544-R546 PolarHBondContact O-N 2.7Å
547Y47.3Very low57.7Low200 Ų200104.1 Ų104.178%0.78451%0.513SS*.Hα-helixtrans-101.8-8.8165.5-80.3-76.5000113.2A544 N545A544-Y547 PolarHBondContact O-N 2.88Å; N545-Y547 PolarHBondContact O-N 3.18Å; N545-Y547 VanDerWaalsContact O-N 3.09Å
548H50.7Low59.1Low115 Ų115103.1 Ų103.153%0.53251%0.505SS..Hα-helixtrans-92.7-36.3172.6-103-82.6000112.9A544 N545 D550 I551A544-H548 PolarHBondContact O-N 3.43Å; N545-H548 CarbonylContact O-C 3.55Å; N545-H548 WeakPolarHBondContact O-CA 3.47Å; N545-H548 WeakPolarHBondContact O-CB 3.35Å; N545-H548 PolarHBondContact O-N 3.13Å; H548-D550 VanDerWaalsContact C-N 3.32Å; H548-D550 PolarHBondContact O-N 2.84Å; H548-I551 PolarHBondContact O-N 3.16Å
549D46.6Very low60.6Low88 Ų8896 Ų9647%0.47148%0.479SS..THydrogen-bonded Turntrans-65.6-30-177.3-92.7-58.8000113.6N545 I551N545-D549 PolarHBondContact O-N 2.6Å; D549-I551 VanDerWaalsContact C-N 3.31Å; D549-I551 PolarHBondContact O-N 2.9Å
550D50Low62.2Low146 Ų14697.3 Ų97.378%0.78149%0.485SS*.THydrogen-bonded Turntrans-79.6-8.5-178.1-80.4-13.1000113.6H548H548-D550 VanDerWaalsContact C-N 3.32Å; H548-D550 PolarHBondContact O-N 2.84Å
551I53.6Low64.3Low105 Ų105100.4 Ų100.454%0.53850%0.496SS..  trans-116.762.3172.5-45.3-178.7000109.6H548 D549 P553H548-I551 PolarHBondContact O-N 3.16Å; D549-I551 VanDerWaalsContact C-N 3.31Å; D549-I551 PolarHBondContact O-N 2.9Å; I551-P553 WeakPolarHBondContact O-CD 3.32Å
552R54.6Low66.4Low190 Ų19099.1 Ų99.172%0.71750%0.495SS*.  trans-63.8125.5165.2-71.3-174.7176.4-138.6-8.3109.6T554R552-T554 PolarHBondContact O-N 3Å
553P56.6Low68.5Low36 Ų3695.5 Ų95.523%0.23448%0.475CS..  trans-59.7113.8172.3-27.238.5000110.6I551 D586 A637 A638I551-P553 WeakPolarHBondContact O-CD 3.32Å; P553-D586 VanDerWaalsContact CB-OD2 3.3Å; P553-D586 WeakPolarHBondContact CB-OD2 3.37Å; P553-D586 VanDerWaalsContact CG-CG 3.5Å; P553-D586 VanDerWaalsContact CG-OD1 3.23Å; P553-D586 WeakPolarHBondContact CG-OD1 3.38Å; P553-D586 WeakPolarHBondContact CG-OD2 3.09Å; P553-A637 HydrophobicContact CB-CB 4.48Å; P553-A637 HydrophobicContact CG-CB 4.02Å; P553-A638 HydrophobicContact CB-CB 4.49Å
554T65.1Low70.7Confident125 Ų12591.4 Ų91.477%0.76747%0.472SS*.  trans-84.8-23-177.248.70000113.1R552R552-T554 PolarHBondContact O-N 3Å
555N82.4Confident73Confident98 Ų9892.1 Ų92.152%0.52447%0.471SS..SBendtrans-121.6141.4-174.8-65.1-19.4000110.5N636N555-N636 PolarHBondContact O-ND2 2.78Å
556P88.5Confident75.2Confident75 Ų7590.1 Ų90.149%0.48746%0.459SS..  trans-65.2161.6167.531.3-36000110.7
557P92.3Very high77.3Confident6 Ų687 Ų874%0.03946%0.456CS..  trans-65.6148.7-18027.9-34.4000111.6V581 E582 L589 A634 N636 G639 V641P557-V581 HydrophobicContact CB-CG1 3.99Å; P557-E582 CarbonylContact C-O 3.58Å; P557-E582 VanDerWaalsContact CA-O 3.26Å; P557-E582 WeakPolarHBondContact CA-O 3.5Å; P557-L589 HydrophobicContact CB-CD1 4.14Å; P557-A634 HydrophobicContact CB-CB 3.89Å; P557-A634 HydrophobicContact CG-CB 4.3Å; P557-A634 WeakPolarHBondContact CG-O 3.36Å; P557-N636 WeakPolarHBondContact CD-OD1 3.42Å; P557-G639 WeakPolarHBondContact CD-O 3.49Å; P557-V641 HydrophobicContact CB-CG1 3.84Å; P557-V641 HydrophobicContact CG-CB 4.26Å; P557-V641 HydrophobicContact CG-CG1 3.81Å; P557-V641 WeakPolarHBondContact O-CB 3.49Å; P557-V641 WeakPolarHBondContact O-CG1 3.23Å
558N93Very high79.3Confident87 Ų8780.1 Ų80.147%0.46545%0.446SS..EExtended strand (participates in β ladder)trans-143134.7177.9-178.643.3000111.5V581 E582N558-V581 WeakPolarHBondContact O-CA 3.43Å; N558-E582 PolarHBondContact N-O 3.25Å; N558-E582 PolarHBondContact O-N 3.38Å
559F93.8Very high81.1Confident31 Ų3176 Ų7614%0.13643%0.428CS..EExtended strand (participates in β ladder)trans-86.8119.3177.9-72.4-72.9000111.3T579 C580 V581 A634 V641 Q642F559-T579 HydrophobicContact CD1-CG2 3.87Å; F559-T579 VanDerWaalsContact CD1-OG1 3.31Å; F559-T579 WeakPolarHBondContact CD1-OG1 3.35Å; F559-T579 HydrophobicContact CE1-CG2 3.69Å; F559-C580 CarbonylContact C-O 3.58Å; F559-C580 WeakPolarHBondContact CA-O 3.46Å; F559-V581 HydrophobicContact CD1-CG2 3.68Å; F559-V581 HydrophobicContact CE1-CG2 3.49Å; F559-V581 VanDerWaalsContact CE1-CG2 3.49Å; F559-V581 HydrophobicContact CZ-CG2 4.4Å; F559-A634 HydrophobicContact CE1-CB 4.36Å; F559-A634 HydrophobicContact CE2-CB 4.22Å; F559-A634 HydrophobicContact CZ-CB 3.77Å; F559-V641 HydrophobicContact CD2-CG1 3.7Å; F559-V641 HydrophobicContact CD2-CG2 4.38Å; F559-V641 HydrophobicContact CE2-CG1 3.61Å; F559-Q642 VanDerWaalsContact CE2-C 3.46Å
560L92.2Very high83.2Confident100 Ų10079.4 Ų79.452%0.52443%0.434SS..SBendtrans-82.7-28.4176.5-60.9-175.8000113.4C580 E582L560-C580 HydrophobicContact CB-CB 4.22Å; L560-C580 HydrophobicContact CD1-CB 4.5Å; L560-C580 PolarHBondContact N-O 3.46Å; L560-E582 HydrophobicContact CD1-CG 3.82Å; L560-E582 HydrophobicContact CD2-CG 4.3Å; L560-E582 HydrophobicContact CG-CG 4.1Å
561K92Very high84.9Confident73 Ų7372.6 Ų72.632%0.31740%0.397SS..SBendtrans-124.1117.2-173.6174.3171.7176168.50109.4E578 T579 C580K561-E578 IonicContact NZ-OE1 3.18Å; K561-E578 PolarHBondContact NZ-OE1 2.91Å; K561-E578 IonicContact NZ-OE2 2.59Å; K561-E578 PolarHBondContact NZ-OE2 3Å; K561-T579 WeakPolarHBondContact O-CB 3.36Å; K561-T579 PolarHBondContact O-OG1 3.08Å; K561-C580 HydrophobicContact CB-CB 4.5Å
562P93.8Very high86.5Confident91 Ų9171.3 Ų71.359%0.59140%0.398SS*.  trans-66.3146.1173.628.8-33.9000110.5N644P562-N644 WeakPolarHBondContact CA-OD1 3.02Å; P562-N644 VanDerWaalsContact CB-OD1 3.26Å; P562-N644 WeakPolarHBondContact CB-OD1 3.04Å
563L95.4Very high88.2Confident7 Ų763.4 Ų63.44%0.03737%0.373CS..  trans-62.5147.5170.9-64.2177.6000110F577 T579 W593 S643 N644 V646L563-F577 HydrophobicContact CD2-CB 4.38Å; L563-T579 HydrophobicContact CD2-CG2 4.01Å; L563-W593 HydrophobicContact CD1-CH2 4.42Å; L563-W593 HydrophobicContact CD1-CZ3 3.92Å; L563-W593 HydrophobicContact CD2-CH2 3.7Å; L563-W593 HydrophobicContact CD2-CZ3 3.99Å; L563-S643 WeakPolarHBondContact CD1-OG 3.21Å; L563-N644 PolarHBondContact N-OD1 2.87Å; L563-N644 PolarHBondContact O-ND2 3.18Å; L563-V646 HydrophobicContact CB-CB 4.44Å; L563-V646 HydrophobicContact CB-CG1 3.67Å; L563-V646 HydrophobicContact CB-CG2 3.86Å; L563-V646 HydrophobicContact CD1-CG2 4.15Å; L563-V646 VanDerWaalsContact O-CG1 3.29Å; L563-V646 WeakPolarHBondContact O-CG1 3.49Å
564A94.7Very high90Very high56 Ų5666 Ų6646%0.46339%0.39SS..  trans-104.5136.4175.800000111.2
565P95Very high91.4Very high76 Ų7660.1 Ų60.149%0.49435%0.354SS..  trans-68.8144.9177.930.4-35.7000112V567 V646 E647P565-V567 HydrophobicContact CB-CG1 4.33Å; P565-V646 HydrophobicContact CB-CB 4.36Å; P565-E647 WeakPolarHBondContact CA-O 3.14Å
566Q93.8Very high92Very high44 Ų4458.8 Ų58.821%0.20635%0.345CS..EExtended strand (participates in β ladder)trans-113.680.6-174.8-63.3-62.8-58.300109.1L569 A575 H576 F577 E647 L648 Q649Q566-L569 HydrophobicContact CB-CD1 4.17Å; Q566-A575 HydrophobicContact CB-CB 4.34Å; Q566-A575 HydrophobicContact CG-CB 4.34Å; Q566-H576 PolarHBondContact NE2-O 3.25Å; Q566-F577 HydrophobicContact CB-CE1 4.16Å; Q566-F577 HydrophobicContact CB-CZ 4.08Å; Q566-F577 HydrophobicContact CG-CD1 3.95Å; Q566-F577 HydrophobicContact CG-CE1 3.44Å; Q566-F577 VanDerWaalsContact CG-CE1 3.44Å; Q566-F577 HydrophobicContact CG-CE2 4.33Å; Q566-F577 HydrophobicContact CG-CZ 3.67Å; Q566-E647 PolarHBondContact N-O 2.81Å; Q566-L648 HydrophobicContact CB-CG 4.42Å; Q566-L648 WeakPolarHBondContact O-CA 3.28Å; Q566-Q649 PolarHBondContact O-N 2.67Å
567V92.3Very high92.4Very high78 Ų7855.3 Ų55.347%0.47332%0.322SS..EExtended strand (participates in β ladder)trans-114.8147.1-168.9-63.40000113.3P565 L569 Q649P565-V567 HydrophobicContact CB-CG1 4.33Å; V567-L569 VanDerWaalsContact C-N 3.34Å; V567-Q649 HydrophobicContact CB-CB 4.16Å; V567-Q649 HydrophobicContact CB-CG 4.49Å; V567-Q649 HydrophobicContact CG1-CB 4.07Å; V567-Q649 HydrophobicContact CG1-CG 3.95Å
568G88.2Confident92.6Very high56 Ų5658 Ų5858%0.57733%0.334SS*.EExtended strand (participates in β ladder)trans74.723-178.100000113.8Q649G568-Q649 PolarHBondContact N-O 3.02Å
569L90.1Very high92.6Very high27 Ų2753.9 Ų53.914%0.14131%0.312CS..EExtended strand (participates in β ladder)trans-65.9150.5170.7-61.2176000109.8Q566 V567 A573 A575 L648 Q649 C650 N651Q566-L569 HydrophobicContact CB-CD1 4.17Å; V567-L569 VanDerWaalsContact C-N 3.34Å; L569-A573 HydrophobicContact CB-CB 4.42Å; L569-A573 HydrophobicContact CD2-CB 4.49Å; L569-A575 HydrophobicContact CD1-CB 3.69Å; L569-L648 HydrophobicContact CD1-CD2 4.43Å; L569-L648 HydrophobicContact CD1-CG 4.28Å; L569-Q649 PolarHBondContact N-O 3.23Å; L569-C650 HydrophobicContact CB-CB 4.27Å; L569-C650 CarbonylContact O-C 3.56Å; L569-C650 WeakPolarHBondContact O-CA 3.47Å; L569-N651 PolarHBondContact O-N 3.3Å; L569-N651 PolarHBondContact O-OD1 2.69Å
570R89.8Confident92.6Very high161 Ų16154.3 Ų54.361%0.60832%0.318SS*.EExtended strand (participates in β ladder)trans-90.8158165.2-72.4178.3170.4-88.7-3.1109.6A573 C650 D653R570-A573 WeakPolarHBondContact O-CB 3.37Å; R570-A573 PolarHBondContact O-N 3.5Å; R570-C650 VanDerWaalsContact C-SG 3.55Å; R570-C650 PolarHBondContact O-SG 3.25Å; R570-D653 IonicContact NH1-OD1 2.67Å; R570-D653 PolarHBondContact NH1-OD1 2.76Å
571E86.5Confident92.7Very high2 Ų249.6 Ų49.61%0.00929%0.294CS..THydrogen-bonded Turntrans-51143164.9-165.5168.5167.600111.2A573 Y623 N651 A652 D653 I656 T658E571-A573 PolarHBondContact O-N 3.37Å; E571-A573 VanDerWaalsContact O-N 3.16Å; E571-Y623 HydrophobicContact CG-CD1 3.9Å; E571-Y623 HydrophobicContact CG-CE1 4.4Å; E571-Y623 WeakPolarHBondContact OE1-CD1 3.31Å; E571-N651 PolarHBondContact N-O 2.84Å; E571-A652 WeakPolarHBondContact OE2-CA 3.47Å; E571-D653 PolarHBondContact OE2-N 3.11Å; E571-I656 HydrophobicContact CG-CD1 4.25Å; E571-I656 WeakPolarHBondContact OE1-CB 3.23Å; E571-I656 VanDerWaalsContact OE1-CG2 3.24Å; E571-I656 WeakPolarHBondContact OE1-CG2 3.35Å; E571-T658 WeakPolarHBondContact OE1-CG2 3.43Å
572S86.4Confident92.6Very high79 Ų7950.6 Ų50.655%0.55230%0.3SS*.THydrogen-bonded Turntrans64.2-5.4-168.6770000117.5C622S572-C622 PolarHBondContact N-O 3.24Å
573A90.5Very high92.3Very high24 Ų2448 Ų4820%0.19828%0.283CS..  trans-69.5146.5174.800000111.5L569 R570 E571 C622L569-A573 HydrophobicContact CB-CB 4.42Å; L569-A573 HydrophobicContact CD2-CB 4.49Å; R570-A573 WeakPolarHBondContact O-CB 3.37Å; R570-A573 PolarHBondContact O-N 3.5Å; E571-A573 PolarHBondContact O-N 3.37Å; E571-A573 VanDerWaalsContact O-N 3.16Å; A573-C622 WeakPolarHBondContact O-CB 3.11Å; A573-C622 PolarHBondContact O-N 2.77Å; A573-C622 PolarHBondContact O-SG 2.81Å
574P93.6Very high91.8Very high91 Ų9150.6 Ų50.659%0.59130%0.299SS*.  trans-75.5150.4173.431.4-34.8000111.6I619P574-I619 CarbonylContact C-O 3.56Å; P574-I619 WeakPolarHBondContact CA-O 3.42Å
575A95Very high90.8Very high1 Ų154.3 Ų54.31%0.00831%0.311CS..EExtended strand (participates in β ladder)trans-120.2146.9167.600000110.5Q566 L569 I619 C622 L648Q566-A575 HydrophobicContact CB-CB 4.34Å; Q566-A575 HydrophobicContact CG-CB 4.34Å; L569-A575 HydrophobicContact CD1-CB 3.69Å; A575-I619 HydrophobicContact CB-CB 4.18Å; A575-I619 HydrophobicContact CB-CD1 4.27Å; A575-I619 HydrophobicContact CB-CG1 4.44Å; A575-I619 PolarHBondContact N-O 2.72Å; A575-I619 PolarHBondContact O-N 2.92Å; A575-C622 VanDerWaalsContact CB-SG 3.55Å; A575-L648 HydrophobicContact CB-CD1 3.83Å
576H95.4Very high90.2Very high69 Ų6951.4 Ų51.432%0.31929%0.291SS..EExtended strand (participates in β ladder)trans-133.3125.8-178.6179.573.3000110.7Q566 E578 D618Q566-H576 PolarHBondContact NE2-O 3.25Å; H576-E578 WeakPolarHBondContact NE2-CG 3.43Å; H576-D618 IonicContact CE1-OD1 2.9Å; H576-D618 IonicContact CG-OD1 2.8Å; H576-D618 IonicContact ND1-OD1 3.66Å; H576-D618 PolarHBondContact ND1-OD1 2.99Å
577F96.6Very high89.6Confident2 Ų253.4 Ų53.41%0.00931%0.308CS..EExtended strand (participates in β ladder)trans-117.8133.1171.7-61.2-77.4000109.6L563 Q566 W593 M616 L617 I619 Y630 V646 L648L563-F577 HydrophobicContact CD2-CB 4.38Å; Q566-F577 HydrophobicContact CB-CE1 4.16Å; Q566-F577 HydrophobicContact CB-CZ 4.08Å; Q566-F577 HydrophobicContact CG-CD1 3.95Å; Q566-F577 HydrophobicContact CG-CE1 3.44Å; Q566-F577 VanDerWaalsContact CG-CE1 3.44Å; Q566-F577 HydrophobicContact CG-CE2 4.33Å; Q566-F577 HydrophobicContact CG-CZ 3.67Å; F577-W593 HydrophobicContact CB-CH2 3.72Å; F577-W593 HydrophobicContact CB-CZ3 3.73Å; F577-W593 HydrophobicContact CG-CZ3 4.37Å; F577-M616 CarbonylContact O-C 3.59Å; F577-M616 WeakPolarHBondContact O-CA 3.29Å; F577-M616 WeakPolarHBondContact O-CB 3.5Å; F577-L617 HydrophobicContact CB-CB 4.35Å; F577-L617 HydrophobicContact CD2-CD2 4.2Å; F577-L617 HydrophobicContact CD2-CG 4.43Å; F577-L617 PolarHBondContact N-O 3.3Å; F577-L617 PolarHBondContact O-N 2.96Å; F577-I619 HydrophobicContact CE2-CD1 4.14Å; F577-Y630 HydrophobicContact CE2-CD1 4.2Å; F577-Y630 HydrophobicContact CE2-CD2 4.39Å; F577-Y630 HydrophobicContact CE2-CG 4.09Å; F577-Y630 HydrophobicContact CZ-CD2 4.12Å; F577-Y630 HydrophobicContact CZ-CG 4.05Å; F577-V646 HydrophobicContact CD1-CG2 3.93Å; F577-V646 HydrophobicContact CE1-CG2 3.61Å; F577-L648 HydrophobicContact CE2-CD1 4.02Å; F577-L648 HydrophobicContact CZ-CB 4.26Å; F577-L648 HydrophobicContact CZ-CD1 4.03Å
578E95.5Very high89.2Confident64 Ų6451.7 Ų51.730%0.29930%0.299SS..EExtended strand (participates in β ladder)trans-143.1140.6-17948.6153-179.400112.4K561 H576 F614K561-E578 IonicContact NZ-OE1 3.18Å; K561-E578 PolarHBondContact NZ-OE1 2.91Å; K561-E578 IonicContact NZ-OE2 2.59Å; K561-E578 PolarHBondContact NZ-OE2 3Å; H576-E578 WeakPolarHBondContact NE2-CG 3.43Å; E578-F614 HydrophobicContact CB-CE2 4.25Å; E578-F614 HydrophobicContact CB-CZ 3.94Å
579T94.9Very high89.2Confident0 Ų049.9 Ų49.90%028%0.276CS..EExtended strand (participates in β ladder)trans-149.8166.3176.1-175.30000110.9F559 K561 L563 A615F559-T579 HydrophobicContact CD1-CG2 3.87Å; F559-T579 VanDerWaalsContact CD1-OG1 3.31Å; F559-T579 WeakPolarHBondContact CD1-OG1 3.35Å; F559-T579 HydrophobicContact CE1-CG2 3.69Å; K561-T579 WeakPolarHBondContact O-CB 3.36Å; K561-T579 PolarHBondContact O-OG1 3.08Å; L563-T579 HydrophobicContact CD2-CG2 4.01Å; T579-A615 HydrophobicContact CG2-CB 3.99Å; T579-A615 PolarHBondContact N-O 2.83Å; T579-A615 PolarHBondContact O-N 2.9Å
580C93.7Very high89.3Confident40 Ų4051.9 Ų51.927%0.2729%0.29SS..EExtended strand (participates in β ladder)trans-123.2134.3176.5-57.20000109.2F559 L560 K561 G613F559-C580 CarbonylContact C-O 3.58Å; F559-C580 WeakPolarHBondContact CA-O 3.46Å; L560-C580 HydrophobicContact CB-CB 4.22Å; L560-C580 HydrophobicContact CD1-CB 4.5Å; L560-C580 PolarHBondContact N-O 3.46Å; K561-C580 HydrophobicContact CB-CB 4.5Å; C580-G613 CarbonylContact C-O 3.6Å; C580-G613 WeakPolarHBondContact CA-O 3.36Å
581V93.4Very high89.5Confident1 Ų145.5 Ų45.51%0.00627%0.269CS..EExtended strand (participates in β ladder)trans-120.2131.4-178-166.20000109.9P557 N558 F559 L589 V591 G613 A615 A634P557-V581 HydrophobicContact CB-CG1 3.99Å; N558-V581 WeakPolarHBondContact O-CA 3.43Å; F559-V581 HydrophobicContact CD1-CG2 3.68Å; F559-V581 HydrophobicContact CE1-CG2 3.49Å; F559-V581 VanDerWaalsContact CE1-CG2 3.49Å; F559-V581 HydrophobicContact CZ-CG2 4.4Å; V581-L589 HydrophobicContact CB-CD2 4.31Å; V581-L589 HydrophobicContact CG1-CD1 4.02Å; V581-L589 HydrophobicContact CG1-CD2 4.31Å; V581-V591 HydrophobicContact CG2-CG2 4.26Å; V581-G613 PolarHBondContact N-O 2.83Å; V581-G613 WeakPolarHBondContact O-CA 2.91Å; V581-A615 HydrophobicContact CG2-CB 4.4Å; V581-A634 HydrophobicContact CG1-CB 3.85Å; V581-A634 HydrophobicContact CG2-CB 4.34Å
582E89.7Confident89.9Confident94 Ų9448.9 Ų48.944%0.43929%0.285SS..EExtended strand (participates in β ladder)trans-104.4150.3164.3-73.5-175.2156.900110.1P557 N558 L560 T584P557-E582 CarbonylContact C-O 3.58Å; P557-E582 VanDerWaalsContact CA-O 3.26Å; P557-E582 WeakPolarHBondContact CA-O 3.5Å; N558-E582 PolarHBondContact N-O 3.25Å; N558-E582 PolarHBondContact O-N 3.38Å; L560-E582 HydrophobicContact CD1-CG 3.82Å; L560-E582 HydrophobicContact CD2-CG 4.3Å; L560-E582 HydrophobicContact CG-CG 4.1Å; E582-T584 HydrophobicContact CG-CG2 4.35Å
583P88.2Confident90.4Very high36 Ų3645.8 Ų45.823%0.23426%0.261CS..  cis-76.4133.6-0.929.3-34.2000113.9D586P583-D586 HydrophobicContact CB-CB 4.32Å; P583-D586 HydrophobicContact CG-CB 3.82Å
584T84.5Confident90.7Very high61 Ų6146.8 Ų46.837%0.37426%0.26SS..THydrogen-bonded Turntrans-76.3-22.1-174.552.40000115.3E582 R612E582-T584 HydrophobicContact CG-CG2 4.35Å; T584-R612 VanDerWaalsContact CB-O 3.27Å; T584-R612 WeakPolarHBondContact CB-O 3.28Å; T584-R612 VanDerWaalsContact CG2-O 3.25Å; T584-R612 WeakPolarHBondContact CG2-O 3.37Å
585N73.3Confident90.8Very high135 Ų13544.5 Ų44.572%0.72224%0.241SC*.THydrogen-bonded Turntrans-102.724.5-175.8-68.3-19.6000112.7
586D82.1Confident90.7Very high15 Ų1549 Ų498%0.0826%0.264CS..  trans-98.7114-175179.2-12.2000111P553 P583 S588 L589 N636P553-D586 VanDerWaalsContact CB-OD2 3.3Å; P553-D586 WeakPolarHBondContact CB-OD2 3.37Å; P553-D586 VanDerWaalsContact CG-CG 3.5Å; P553-D586 VanDerWaalsContact CG-OD1 3.23Å; P553-D586 WeakPolarHBondContact CG-OD1 3.38Å; P553-D586 WeakPolarHBondContact CG-OD2 3.09Å; P583-D586 HydrophobicContact CB-CB 4.32Å; P583-D586 HydrophobicContact CG-CB 3.82Å; D586-S588 PolarHBondContact O-N 3.39Å; D586-S588 WeakPolarHBondContact OD1-CA 3.47Å; D586-S588 WeakPolarHBondContact OD1-CB 3.36Å; D586-S588 PolarHBondContact OD1-N 2.83Å; D586-S588 PolarHBondContact OD1-OG 2.94Å; D586-L589 HydrophobicContact CB-CB 4.12Å; D586-L589 WeakPolarHBondContact O-CB 3.42Å; D586-L589 PolarHBondContact O-N 3.23Å; D586-L589 VanDerWaalsContact O-N 3.16Å; D586-L589 PolarHBondContact OD1-N 3.07Å; D586-N636 WeakPolarHBondContact OD2-CB 3.17Å; D586-N636 PolarHBondContact OD2-ND2 2.72Å
587P81.3Confident90.4Very high86 Ų8648.1 Ų48.156%0.55827%0.274SS*.THydrogen-bonded Turntrans-73.8-5.3-178.532.3-36.4000113.7
588S84.5Confident90.2Very high41 Ų4155.5 Ų55.529%0.28731%0.306SS..THydrogen-bonded Turntrans-97.5-3172.173.80000113.4D586 T590 A637D586-S588 PolarHBondContact O-N 3.39Å; D586-S588 WeakPolarHBondContact OD1-CA 3.47Å; D586-S588 WeakPolarHBondContact OD1-CB 3.36Å; D586-S588 PolarHBondContact OD1-N 2.83Å; D586-S588 PolarHBondContact OD1-OG 2.94Å; S588-T590 PolarHBondContact O-N 2.84Å; S588-A637 PolarHBondContact OG-N 2.8Å
589L89.1Confident90.1Very high19 Ų1956.9 Ų56.910%0.09932%0.321CS..  trans-69.6123.6-179.9-176.267.7000111.2P557 V581 D586 L610 A634 R635 N636P557-L589 HydrophobicContact CB-CD1 4.14Å; V581-L589 HydrophobicContact CB-CD2 4.31Å; V581-L589 HydrophobicContact CG1-CD1 4.02Å; V581-L589 HydrophobicContact CG1-CD2 4.31Å; D586-L589 HydrophobicContact CB-CB 4.12Å; D586-L589 WeakPolarHBondContact O-CB 3.42Å; D586-L589 PolarHBondContact O-N 3.23Å; D586-L589 VanDerWaalsContact O-N 3.16Å; D586-L589 PolarHBondContact OD1-N 3.07Å; L589-L610 HydrophobicContact CG-CD2 4.49Å; L589-L610 WeakPolarHBondContact O-CD2 3.38Å; L589-A634 HydrophobicContact CD1-CB 4.44Å; L589-R635 CarbonylContact C-O 3.57Å; L589-R635 WeakPolarHBondContact CA-O 3.45Å; L589-N636 HydrophobicContact CD1-CB 4.44Å
590T92.3Very high90Very high69 Ų6957.8 Ų57.842%0.42333%0.326SS..EExtended strand (participates in β ladder)trans-130.4152.5174.748.90000110S588 A634 R635S588-T590 PolarHBondContact O-N 2.84Å; T590-A634 CarbonylContact O-C 3.59Å; T590-A634 VanDerWaalsContact O-CA 3.31Å; T590-A634 WeakPolarHBondContact O-CA 3.47Å; T590-R635 PolarHBondContact N-O 2.81Å; T590-R635 PolarHBondContact O-N 2.91Å; T590-R635 PolarHBondContact OG1-O 3.46Å
591V94.1Very high89.7Confident27 Ų2760.7 Ų60.716%0.16435%0.347CS..EExtended strand (participates in β ladder)trans-134.4121.4177.3179.60000109.9V581 L610 A615 C632 V633 A634V581-V591 HydrophobicContact CG2-CG2 4.26Å; V591-L610 HydrophobicContact CB-CD2 4.37Å; V591-L610 HydrophobicContact CG2-CD1 3.9Å; V591-L610 HydrophobicContact CG2-CD2 4.03Å; V591-A615 HydrophobicContact CB-CB 4.41Å; V591-A615 HydrophobicContact CG1-CB 4.18Å; V591-A615 HydrophobicContact CG2-CB 4.11Å; V591-C632 HydrophobicContact CG1-CB 3.86Å; V591-V633 WeakPolarHBondContact CA-O 3.36Å; V591-A634 HydrophobicContact CG2-CB 4.02Å
592E94.9Very high89.5Confident73 Ų7365.5 Ų65.534%0.34137%0.371SS..EExtended strand (participates in β ladder)trans-104.9138176.7-69.2163.1-175.500109.9Y594 C632 V633 R635E592-Y594 HydrophobicContact CB-CD2 4.42Å; E592-Y594 HydrophobicContact CB-CE2 3.73Å; E592-Y594 PolarHBondContact OE2-OH 2.87Å; E592-Y594 VanDerWaalsContact OE2-OH 3.07Å; E592-C632 CarbonylContact O-C 3.54Å; E592-C632 WeakPolarHBondContact O-CA 2.87Å; E592-C632 VanDerWaalsContact O-CB 3.25Å; E592-C632 WeakPolarHBondContact O-CB 3.47Å; E592-V633 PolarHBondContact N-O 2.81Å; E592-V633 PolarHBondContact O-N 2.87Å; E592-R635 IonicContact OE1-CZ 3.18Å; E592-R635 IonicContact OE1-NE 2.75Å; E592-R635 PolarHBondContact OE1-NE 2.93Å; E592-R635 IonicContact OE1-NH2 2.69Å; E592-R635 IonicContact OE2-CZ 3.94Å; E592-R635 IonicContact OE2-NE 3.87Å; E592-R635 PolarHBondContact OE2-NE 2.97Å; E592-R635 IonicContact OE2-NH2 3.29Å; E592-R635 PolarHBondContact OE2-NH2 3.01Å
593W95.8Very high89.2Confident13 Ų1363.4 Ų63.45%0.04938%0.375CS..EExtended strand (participates in β ladder)trans-102.3141.1176.5-69.688.7000111.3L563 F577 P599 V600 M616 L617 C632L563-W593 HydrophobicContact CD1-CH2 4.42Å; L563-W593 HydrophobicContact CD1-CZ3 3.92Å; L563-W593 HydrophobicContact CD2-CH2 3.7Å; L563-W593 HydrophobicContact CD2-CZ3 3.99Å; F577-W593 HydrophobicContact CB-CH2 3.72Å; F577-W593 HydrophobicContact CB-CZ3 3.73Å; F577-W593 HydrophobicContact CG-CZ3 4.37Å; W593-P599 WeakPolarHBondContact O-CA 3.41Å; W593-V600 HydrophobicContact CB-CB 4.16Å; W593-V600 HydrophobicContact CB-CG2 4Å; W593-V600 PolarHBondContact O-N 2.8Å; W593-M616 VanDerWaalsContact CZ2-C 3.43Å; W593-M616 PolarHBondContact NE1-O 2.87Å; W593-L617 HydrophobicContact CB-CD2 4.18Å; W593-L617 HydrophobicContact CD2-CB 3.59Å; W593-L617 HydrophobicContact CD2-CD2 3.89Å; W593-L617 HydrophobicContact CD2-CG 4.31Å; W593-L617 HydrophobicContact CE3-CB 3.81Å; W593-L617 HydrophobicContact CE3-CD2 3.72Å; W593-L617 HydrophobicContact CE3-CG 4.42Å; W593-L617 HydrophobicContact CG-CB 4.14Å; W593-L617 HydrophobicContact CG-CD2 4.09Å; W593-L617 HydrophobicContact CH2-CB 3.99Å; W593-L617 HydrophobicContact CZ2-CB 3.79Å; W593-L617 HydrophobicContact CZ3-CB 4Å; W593-L617 HydrophobicContact CZ3-CD2 4.39Å; W593-C632 HydrophobicContact CD2-CB 3.73Å; W593-C632 HydrophobicContact CE3-CB 3.74Å; W593-C632 HydrophobicContact CG-CB 4.24Å; W593-C632 HydrophobicContact CH2-CB 4.39Å; W593-C632 HydrophobicContact CZ2-CB 4.36Å; W593-C632 HydrophobicContact CZ3-CB 4.09Å
594Y96.8Very high88.9Confident46 Ų4666.6 Ų66.618%0.1840%0.397CS..EExtended strand (participates in β ladder)trans-129.8143.3-177.6-70.9-97.5000111.1E592 K598 P599 Y630 F631 V633E592-Y594 HydrophobicContact CB-CD2 4.42Å; E592-Y594 HydrophobicContact CB-CE2 3.73Å; E592-Y594 PolarHBondContact OE2-OH 2.87Å; E592-Y594 VanDerWaalsContact OE2-OH 3.07Å; Y594-K598 CarbonylContact C-O 3.58Å; Y594-K598 WeakPolarHBondContact CA-O 3.42Å; Y594-P599 HydrophobicContact CE1-CB 4.34Å; Y594-Y630 VanDerWaalsContact O-CA 3.31Å; Y594-Y630 WeakPolarHBondContact O-CA 3.39Å; Y594-F631 VanDerWaalsContact CB-CZ 3.4Å; Y594-F631 HydrophobicContact CD1-CE2 4.4Å; Y594-F631 HydrophobicContact CD1-CZ 4.23Å; Y594-F631 HydrophobicContact CD2-CD2 4.23Å; Y594-F631 AromaticContact CD2-CE2 3.74Å; Y594-F631 HydrophobicContact CD2-CE2 3.74Å; Y594-F631 HydrophobicContact CD2-CZ 4.33Å; Y594-F631 HydrophobicContact CG-CD2 4.33Å; Y594-F631 AromaticContact CG-CE2 3.64Å; Y594-F631 HydrophobicContact CG-CE2 3.64Å; Y594-F631 AromaticContact CG-CZ 3.76Å; Y594-F631 HydrophobicContact CG-CZ 3.76Å; Y594-F631 PolarHBondContact N-O 3.21Å; Y594-F631 PolarHBondContact O-N 3.08Å; Y594-V633 HydrophobicContact CD2-CG2 3.93Å; Y594-V633 HydrophobicContact CE2-CB 4.06Å; Y594-V633 HydrophobicContact CE2-CG2 3.64Å
595K94.8Very high89.3Confident43 Ų4366 Ų6619%0.18739%0.387CS..EExtended strand (participates in β ladder)trans-126.1125.4171.1-172.6-153.5-178.8-1540108.9G597 K598 V600 E625 D626 N627 A629 Y630K595-G597 PolarHBondContact O-N 2.84Å; K595-K598 PolarHBondContact N-O 2.87Å; K595-K598 PolarHBondContact O-N 2.88Å; K595-K598 VanDerWaalsContact O-O 3.13Å; K595-V600 HydrophobicContact CB-CG2 4.04Å; K595-E625 PolarHBondContact NZ-O 3.48Å; K595-D626 WeakPolarHBondContact CE-O 3.22Å; K595-N627 WeakPolarHBondContact CE-O 3.35Å; K595-N627 PolarHBondContact NZ-O 3.16Å; K595-A629 WeakPolarHBondContact CA-O 3.34Å; K595-Y630 HydrophobicContact CB-CD1 4.17Å; K595-Y630 HydrophobicContact CB-CE1 3.89Å; K595-Y630 HydrophobicContact CD-CE1 4.44Å; K595-Y630 HydrophobicContact CD-CE2 4.22Å; K595-Y630 HydrophobicContact CG-CD1 4.34Å; K595-Y630 HydrophobicContact CG-CD2 4.23Å; K595-Y630 HydrophobicContact CG-CE1 3.91Å; K595-Y630 HydrophobicContact CG-CE2 3.76Å; K595-Y630 HydrophobicContact CG-CG 4.49Å
596D93.1Very high90.2Very high94 Ų9460.8 Ų60.850%0.50336%0.358SS..THydrogen-bonded Turntrans5330.9177.9-53.3-47.3000113.4K598 G628 A629D596-K598 VanDerWaalsContact C-N 3.33Å; D596-K598 PolarHBondContact O-N 2.83Å; D596-G628 VanDerWaalsContact OD1-CA 3.3Å; D596-G628 WeakPolarHBondContact OD1-CA 3.37Å; D596-A629 PolarHBondContact N-O 2.91Å; D596-A629 PolarHBondContact OD1-N 3.42Å
597G90.7Very high90.7Very high52 Ų5263.2 Ų63.254%0.53637%0.371SS..THydrogen-bonded Turntrans82.1-2.7-176.800000115.8K595K595-G597 PolarHBondContact O-N 2.84Å
598K91.7Very high91.3Very high157 Ų15760.8 Ų60.868%0.68336%0.358SS*.EExtended strand (participates in β ladder)trans-98.1148.5172.6-62.5-178.4179.7-177.80110.6Y594 K595 D596Y594-K598 CarbonylContact C-O 3.58Å; Y594-K598 WeakPolarHBondContact CA-O 3.42Å; K595-K598 PolarHBondContact N-O 2.87Å; K595-K598 PolarHBondContact O-N 2.88Å; K595-K598 VanDerWaalsContact O-O 3.13Å; D596-K598 VanDerWaalsContact C-N 3.33Å; D596-K598 PolarHBondContact O-N 2.83Å
599P93.2Very high91.7Very high93 Ų9361.7 Ų61.760%0.60436%0.362SS*.EExtended strand (participates in β ladder)trans-63.5144.1172.427.9-34.5000110.8W593 Y594W593-P599 WeakPolarHBondContact O-CA 3.41Å; Y594-P599 HydrophobicContact CE1-CB 4.34Å
600V92.6Very high91.9Very high18 Ų1863.9 Ų63.911%0.10937%0.374CS..PPolyproline II helixtrans-73.3126.2176.7174.60000109.7W593 K595 M602 F606 L617 Y630W593-V600 HydrophobicContact CB-CB 4.16Å; W593-V600 HydrophobicContact CB-CG2 4Å; W593-V600 PolarHBondContact O-N 2.8Å; K595-V600 HydrophobicContact CB-CG2 4.04Å; V600-M602 HydrophobicContact CG1-SD 4.38Å; V600-M602 PolarHBondContact O-N 2.95Å; V600-M602 VanDerWaalsContact O-N 3.14Å; V600-F606 HydrophobicContact CG1-CB 4.04Å; V600-F606 HydrophobicContact CG1-CD1 3.63Å; V600-F606 HydrophobicContact CG1-CE1 4.22Å; V600-F606 HydrophobicContact CG1-CG 3.84Å; V600-L617 HydrophobicContact CG1-CD1 4.49Å; V600-L617 HydrophobicContact CG2-CD2 4.47Å; V600-Y630 HydrophobicContact CG2-CD1 4.38Å; V600-Y630 HydrophobicContact CG2-CE1 4.17Å
601S88.7Confident91.7Very high102 Ų10264.2 Ų64.271%0.71337%0.373SS*.  trans-73.8103.2176.8-50.70000110.6
602M89Confident91.3Very high102 Ų10271.6 Ų71.650%0.50240%0.398SS..  trans-62.6140.2178-57.5-46.9-54.100111.6V600 F606 A608V600-M602 HydrophobicContact CG1-SD 4.38Å; V600-M602 PolarHBondContact O-N 2.95Å; V600-M602 VanDerWaalsContact O-N 3.14Å; M602-F606 HydrophobicContact CE-CB 4.49Å; M602-F606 WeakPolarHBondContact CE-O 3.43Å; M602-A608 HydrophobicContact CE-CB 3.35Å; M602-A608 HydrophobicContact SD-CB 4.05Å
603G82.5Confident90.9Very high50 Ų5068.3 Ų68.352%0.51538%0.383SS..SBendtrans178.3-158.2-176.900000113.9R605 F606G603-R605 VanDerWaalsContact C-N 3.26Å; G603-R605 PolarHBondContact O-N 2.92Å; G603-F606 PolarHBondContact N-O 2.77Å; G603-F606 VanDerWaalsContact N-O 3.13Å
604C83Confident90.7Very high103 Ų10371.4 Ų71.470%0.69640%0.397SS*.SBendtrans-71.5-15.8-177.563.80000114.6H620C604-H620 PolarHBondContact O-ND1 2.95Å
605R91.7Very high90.6Very high47 Ų4769.2 Ų69.218%0.17739%0.389CS..SBendtrans-95.8-42173.9-55.4-153.9-59.1113.8-3.2113G603 I619 H620 Y621 D626G603-R605 VanDerWaalsContact C-N 3.26Å; G603-R605 PolarHBondContact O-N 2.92Å; R605-I619 WeakPolarHBondContact O-CA 3.17Å; R605-H620 PolarHBondContact O-N 3.04Å; R605-Y621 HydrophobicContact CG-CE1 4.18Å; R605-Y621 HydrophobicContact CG-CE2 3.91Å; R605-Y621 PolarHBondContact NH1-O 3.45Å; R605-D626 IonicContact CZ-OD1 3.56Å; R605-D626 IonicContact CZ-OD2 3.51Å; R605-D626 IonicContact NH1-OD1 2.66Å; R605-D626 PolarHBondContact NH1-OD1 3.12Å; R605-D626 IonicContact NH1-OD2 3.36Å; R605-D626 PolarHBondContact NH1-OD2 2.89Å; R605-D626 IonicContact NH2-OD1 3.44Å; R605-D626 PolarHBondContact NH2-OD1 2.76Å; R605-D626 IonicContact NH2-OD2 3.5Å; R605-D626 PolarHBondContact NH2-OD2 2.99Å
606F93.2Very high90.6Very high26 Ų2668.6 Ų68.611%0.11439%0.387CS..EExtended strand (participates in β ladder)trans-103112.2-176.6-63.7-86.1000109.9V600 M602 G603 L617 D618 I619 D626V600-F606 HydrophobicContact CG1-CB 4.04Å; V600-F606 HydrophobicContact CG1-CD1 3.63Å; V600-F606 HydrophobicContact CG1-CE1 4.22Å; V600-F606 HydrophobicContact CG1-CG 3.84Å; M602-F606 HydrophobicContact CE-CB 4.49Å; M602-F606 WeakPolarHBondContact CE-O 3.43Å; G603-F606 PolarHBondContact N-O 2.77Å; G603-F606 VanDerWaalsContact N-O 3.13Å; F606-L617 HydrophobicContact CB-CD1 4.32Å; F606-L617 HydrophobicContact CD1-CD1 4.39Å; F606-D618 WeakPolarHBondContact CA-O 3.42Å; F606-I619 HydrophobicContact CD1-CD1 4.11Å; F606-I619 HydrophobicContact CD1-CG1 3.74Å; F606-I619 HydrophobicContact CD1-CG2 4.41Å; F606-I619 HydrophobicContact CE1-CD1 3.64Å; F606-I619 HydrophobicContact CE1-CG1 3.76Å; F606-I619 HydrophobicContact CE1-CG2 4.1Å; F606-I619 HydrophobicContact CZ-CG2 4.49Å; F606-D626 WeakPolarHBondContact CZ-OD1 3.28Å
607N92.7Very high90.8Very high67 Ų6764.1 Ų64.136%0.35836%0.363SS..EExtended strand (participates in β ladder)trans-117.9123.3178.6178.233.1000109.7L617 D618N607-L617 CarbonylContact O-C 3.57Å; N607-L617 WeakPolarHBondContact O-CA 3.21Å; N607-D618 HydrophobicContact CB-CB 4.43Å; N607-D618 PolarHBondContact N-O 2.82Å; N607-D618 PolarHBondContact O-N 3.3Å
608A93.9Very high91Very high34 Ų3463.5 Ų63.528%0.28135%0.347SS..EExtended strand (participates in β ladder)trans-123136.1-179.400000110.3M602 M616 L617M602-A608 HydrophobicContact CE-CB 3.35Å; M602-A608 HydrophobicContact SD-CB 4.05Å; A608-M616 VanDerWaalsContact CA-O 3.22Å; A608-M616 WeakPolarHBondContact CA-O 3.25Å; A608-L617 HydrophobicContact CB-CD1 4.14Å
609V92.5Very high91.1Very high61 Ų6156.1 Ų56.137%0.3732%0.315SS..EExtended strand (participates in β ladder)trans-131.6138.9-175.2-1750000109.3A615 M616V609-A615 WeakPolarHBondContact O-CA 3.31Å; V609-M616 HydrophobicContact CB-CG 3.71Å; V609-M616 HydrophobicContact CB-SD 4.05Å; V609-M616 HydrophobicContact CG2-CE 4.3Å; V609-M616 HydrophobicContact CG2-CG 4.35Å; V609-M616 HydrophobicContact CG2-SD 4.31Å; V609-M616 PolarHBondContact N-O 2.82Å; V609-M616 PolarHBondContact O-N 2.94Å
610L91.9Very high91Very high65 Ų6556.2 Ų56.234%0.3431%0.307SS..EExtended strand (participates in β ladder)trans-127.7111.6169.9177.363.1000108.4L589 V591 F614 A615L589-L610 HydrophobicContact CG-CD2 4.49Å; L589-L610 WeakPolarHBondContact O-CD2 3.38Å; V591-L610 HydrophobicContact CB-CD2 4.37Å; V591-L610 HydrophobicContact CG2-CD1 3.9Å; V591-L610 HydrophobicContact CG2-CD2 4.03Å; L610-F614 WeakPolarHBondContact CA-O 3.24Å; L610-A615 HydrophobicContact CD1-CB 4Å
611D89.6Confident91Very high76 Ų7659.4 Ų59.441%0.40632%0.318SS..EExtended strand (participates in β ladder)trans-131.5118.4173.3179.415.6000109.8G613 F614D611-G613 PolarHBondContact O-N 2.85Å; D611-G613 VanDerWaalsContact O-N 3.1Å; D611-F614 PolarHBondContact N-O 2.71Å; D611-F614 WeakPolarHBondContact O-CB 3.06Å; D611-F614 PolarHBondContact O-N 2.88Å
612R85.6Confident91.1Very high181 Ų18154.5 Ų54.568%0.68328%0.284SS*.THydrogen-bonded Turntrans46.443.7176.9-74.2162.9-76.6-168.3-2.6113.3T584 F614T584-R612 VanDerWaalsContact CB-O 3.27Å; T584-R612 WeakPolarHBondContact CB-O 3.28Å; T584-R612 VanDerWaalsContact CG2-O 3.25Å; T584-R612 WeakPolarHBondContact CG2-O 3.37Å; R612-F614 VanDerWaalsContact C-N 3.31Å; R612-F614 PolarHBondContact O-N 2.88Å
613G85.4Confident91.1Very high4 Ų452.8 Ų52.84%0.04127%0.272CS..THydrogen-bonded Turntrans81-8-179.700000115.9C580 V581 D611 A615C580-G613 CarbonylContact C-O 3.6Å; C580-G613 WeakPolarHBondContact CA-O 3.36Å; V581-G613 PolarHBondContact N-O 2.83Å; V581-G613 WeakPolarHBondContact O-CA 2.91Å; D611-G613 PolarHBondContact O-N 2.85Å; D611-G613 VanDerWaalsContact O-N 3.1Å; G613-A615 PolarHBondContact O-N 3.2Å
614F92.8Very high91.4Very high79 Ų7951.9 Ų51.935%0.34626%0.258SS..EExtended strand (participates in β ladder)trans-75.9120.2166.1-173.9-103.6000109E578 L610 D611 R612 M616E578-F614 HydrophobicContact CB-CE2 4.25Å; E578-F614 HydrophobicContact CB-CZ 3.94Å; L610-F614 WeakPolarHBondContact CA-O 3.24Å; D611-F614 PolarHBondContact N-O 2.71Å; D611-F614 WeakPolarHBondContact O-CB 3.06Å; D611-F614 PolarHBondContact O-N 2.88Å; R612-F614 VanDerWaalsContact C-N 3.31Å; R612-F614 PolarHBondContact O-N 2.88Å; F614-M616 HydrophobicContact CD1-CG 4.47Å; F614-M616 HydrophobicContact CD1-SD 4.49Å; F614-M616 HydrophobicContact CE1-CB 4.11Å; F614-M616 HydrophobicContact CE1-CG 4.06Å; F614-M616 HydrophobicContact CE1-SD 3.85Å
615A94Very high91.6Very high0 Ų051.6 Ų51.60%025%0.246CC..EExtended strand (participates in β ladder)trans-123.6126.1-175.200000110.6T579 V581 V591 V609 L610 G613T579-A615 HydrophobicContact CG2-CB 3.99Å; T579-A615 PolarHBondContact N-O 2.83Å; T579-A615 PolarHBondContact O-N 2.9Å; V581-A615 HydrophobicContact CG2-CB 4.4Å; V591-A615 HydrophobicContact CB-CB 4.41Å; V591-A615 HydrophobicContact CG1-CB 4.18Å; V591-A615 HydrophobicContact CG2-CB 4.11Å; V609-A615 WeakPolarHBondContact O-CA 3.31Å; L610-A615 HydrophobicContact CD1-CB 4Å; G613-A615 PolarHBondContact O-N 3.2Å
616M95.4Very high91.7Very high29 Ų2949.7 Ų49.714%0.14324%0.24CC..EExtended strand (participates in β ladder)trans-137.8156.4-175.754.4173.8-80.900112.7F577 W593 A608 V609 F614 D618F577-M616 CarbonylContact O-C 3.59Å; F577-M616 WeakPolarHBondContact O-CA 3.29Å; F577-M616 WeakPolarHBondContact O-CB 3.5Å; W593-M616 VanDerWaalsContact CZ2-C 3.43Å; W593-M616 PolarHBondContact NE1-O 2.87Å; A608-M616 VanDerWaalsContact CA-O 3.22Å; A608-M616 WeakPolarHBondContact CA-O 3.25Å; V609-M616 HydrophobicContact CB-CG 3.71Å; V609-M616 HydrophobicContact CB-SD 4.05Å; V609-M616 HydrophobicContact CG2-CE 4.3Å; V609-M616 HydrophobicContact CG2-CG 4.35Å; V609-M616 HydrophobicContact CG2-SD 4.31Å; V609-M616 PolarHBondContact N-O 2.82Å; V609-M616 PolarHBondContact O-N 2.94Å; F614-M616 HydrophobicContact CD1-CG 4.47Å; F614-M616 HydrophobicContact CD1-SD 4.49Å; F614-M616 HydrophobicContact CE1-CB 4.11Å; F614-M616 HydrophobicContact CE1-CG 4.06Å; F614-M616 HydrophobicContact CE1-SD 3.85Å; M616-D618 WeakPolarHBondContact CE-OD2 3.38Å
617L96.1Very high91.7Very high0 Ų051.2 Ų51.20%025%0.249CC..EExtended strand (participates in β ladder)trans-135.7114.5169.4171.767.8000108.8F577 W593 V600 F606 N607 A608 Y630F577-L617 HydrophobicContact CB-CB 4.35Å; F577-L617 HydrophobicContact CD2-CD2 4.2Å; F577-L617 HydrophobicContact CD2-CG 4.43Å; F577-L617 PolarHBondContact N-O 3.3Å; F577-L617 PolarHBondContact O-N 2.96Å; W593-L617 HydrophobicContact CB-CD2 4.18Å; W593-L617 HydrophobicContact CD2-CB 3.59Å; W593-L617 HydrophobicContact CD2-CD2 3.89Å; W593-L617 HydrophobicContact CD2-CG 4.31Å; W593-L617 HydrophobicContact CE3-CB 3.81Å; W593-L617 HydrophobicContact CE3-CD2 3.72Å; W593-L617 HydrophobicContact CE3-CG 4.42Å; W593-L617 HydrophobicContact CG-CB 4.14Å; W593-L617 HydrophobicContact CG-CD2 4.09Å; W593-L617 HydrophobicContact CH2-CB 3.99Å; W593-L617 HydrophobicContact CZ2-CB 3.79Å; W593-L617 HydrophobicContact CZ3-CB 4Å; W593-L617 HydrophobicContact CZ3-CD2 4.39Å; V600-L617 HydrophobicContact CG1-CD1 4.49Å; V600-L617 HydrophobicContact CG2-CD2 4.47Å; F606-L617 HydrophobicContact CB-CD1 4.32Å; F606-L617 HydrophobicContact CD1-CD1 4.39Å; N607-L617 CarbonylContact O-C 3.57Å; N607-L617 WeakPolarHBondContact O-CA 3.21Å; A608-L617 HydrophobicContact CB-CD1 4.14Å; L617-Y630 HydrophobicContact CD2-CD1 4.1Å; L617-Y630 HydrophobicContact CD2-CE1 4.25Å
618D95.2Very high91.7Very high40 Ų4048.8 Ų48.821%0.21424%0.24CC..EExtended strand (participates in β ladder)trans-94.4139.5169-74.5-34.7000110.4H576 F606 N607 M616H576-D618 IonicContact CE1-OD1 2.9Å; H576-D618 IonicContact CG-OD1 2.8Å; H576-D618 IonicContact ND1-OD1 3.66Å; H576-D618 PolarHBondContact ND1-OD1 2.99Å; F606-D618 WeakPolarHBondContact CA-O 3.42Å; N607-D618 HydrophobicContact CB-CB 4.43Å; N607-D618 PolarHBondContact N-O 2.82Å; N607-D618 PolarHBondContact O-N 3.3Å; M616-D618 WeakPolarHBondContact CE-OD2 3.38Å
619I95Very high91.8Very high1 Ų148.9 Ų48.91%0.00524%0.24CC..EExtended strand (participates in β ladder)trans-116.7107.6166.7-50.7177.2000106.6P574 A575 F577 R605 F606 Y621 Y630 L648P574-I619 CarbonylContact C-O 3.56Å; P574-I619 WeakPolarHBondContact CA-O 3.42Å; A575-I619 HydrophobicContact CB-CB 4.18Å; A575-I619 HydrophobicContact CB-CD1 4.27Å; A575-I619 HydrophobicContact CB-CG1 4.44Å; A575-I619 PolarHBondContact N-O 2.72Å; A575-I619 PolarHBondContact O-N 2.92Å; F577-I619 HydrophobicContact CE2-CD1 4.14Å; R605-I619 WeakPolarHBondContact O-CA 3.17Å; F606-I619 HydrophobicContact CD1-CD1 4.11Å; F606-I619 HydrophobicContact CD1-CG1 3.74Å; F606-I619 HydrophobicContact CD1-CG2 4.41Å; F606-I619 HydrophobicContact CE1-CD1 3.64Å; F606-I619 HydrophobicContact CE1-CG1 3.76Å; F606-I619 HydrophobicContact CE1-CG2 4.1Å; F606-I619 HydrophobicContact CZ-CG2 4.49Å; I619-Y621 VanDerWaalsContact C-N 3.3Å; I619-Y621 PolarHBondContact O-N 2.99Å; I619-Y630 HydrophobicContact CD1-CE1 4.23Å; I619-L648 HydrophobicContact CD1-CD1 3.56Å
620H91.1Very high92Very high95 Ų9546 Ų4644%0.4422%0.222SC..SBendtrans-62.4-34.5-170.5-67.5144.9000114C604 R605C604-H620 PolarHBondContact O-ND1 2.95Å; R605-H620 PolarHBondContact O-N 3.04Å
621Y91Very high92.2Very high85 Ų8544.2 Ų44.233%0.33321%0.212SC..SBendtrans-154.6120.3176.746.3-84.1000108.7R605 I619 Y623R605-Y621 HydrophobicContact CG-CE1 4.18Å; R605-Y621 HydrophobicContact CG-CE2 3.91Å; R605-Y621 PolarHBondContact NH1-O 3.45Å; I619-Y621 VanDerWaalsContact C-N 3.3Å; I619-Y621 PolarHBondContact O-N 2.99Å; Y621-Y623 AromaticContact CD2-CE2 3.6Å; Y621-Y623 HydrophobicContact CD2-CE2 3.6Å; Y621-Y623 AromaticContact CD2-CZ 3.81Å; Y621-Y623 AromaticContact CE2-CE2 3.76Å; Y621-Y623 HydrophobicContact CE2-CE2 3.76Å
622C91.1Very high92.5Very high0 Ų040.6 Ų40.60%019%0.193CC..  trans-88.4144.6-177-57.90000111.9S572 A573 A575 D626 C650S572-C622 PolarHBondContact N-O 3.24Å; A573-C622 WeakPolarHBondContact O-CB 3.11Å; A573-C622 PolarHBondContact O-N 2.77Å; A573-C622 PolarHBondContact O-SG 2.81Å; A575-C622 VanDerWaalsContact CB-SG 3.55Å; C622-D626 WeakPolarHBondContact CA-OD2 3.48Å; C622-C650 HydrophobicContact CB-CB 4.13Å
623Y90.1Very high93Very high65 Ų6532.6 Ų32.626%0.25516%0.164SC..  trans-118.4164.6169.7-66.4-69000111.2E571 Y621 E625 D626 T658E571-Y623 HydrophobicContact CG-CD1 3.9Å; E571-Y623 HydrophobicContact CG-CE1 4.4Å; E571-Y623 WeakPolarHBondContact OE1-CD1 3.31Å; Y621-Y623 AromaticContact CD2-CE2 3.6Å; Y621-Y623 HydrophobicContact CD2-CE2 3.6Å; Y621-Y623 AromaticContact CD2-CZ 3.81Å; Y621-Y623 AromaticContact CE2-CE2 3.76Å; Y621-Y623 HydrophobicContact CE2-CE2 3.76Å; Y623-E625 VanDerWaalsContact CB-CD 3.43Å; Y623-E625 WeakPolarHBondContact CB-OE2 3.16Å; Y623-E625 PolarHBondContact O-N 3.36Å; Y623-D626 PolarHBondContact N-OD2 2.88Å; Y623-D626 WeakPolarHBondContact O-CB 3.41Å; Y623-D626 PolarHBondContact O-N 2.99Å; Y623-T658 HydrophobicContact CD1-CG2 3.91Å; Y623-T658 HydrophobicContact CE1-CG2 4.48Å
624P88.3Confident93.4Very high32 Ų3232.4 Ų32.421%0.20816%0.162CC..G310 helixtrans-58.1-26.7176.3-2536.1000114.3D626 N627 A652P624-D626 VanDerWaalsContact C-N 3.32Å; P624-N627 VanDerWaalsContact O-CB 3.31Å; P624-N627 WeakPolarHBondContact O-CB 3.23Å; P624-N627 VanDerWaalsContact O-CG 3.23Å; P624-N627 PolarHBondContact O-N 2.82Å; P624-N627 PolarHBondContact O-ND2 3.48Å; P624-A652 HydrophobicContact CB-CB 4.39Å; P624-A652 HydrophobicContact CG-CB 3.49Å; P624-A652 VanDerWaalsContact CG-CB 3.49Å
625E88.1Confident93.5Very high96 Ų9632 Ų3245%0.44916%0.158SC..G310 helixtrans-74.1-15172.162-95.5-148.100114.7K595 Y623 N627K595-E625 PolarHBondContact NZ-O 3.48Å; Y623-E625 VanDerWaalsContact CB-CD 3.43Å; Y623-E625 WeakPolarHBondContact CB-OE2 3.16Å; Y623-E625 PolarHBondContact O-N 3.36Å; E625-N627 PolarHBondContact O-N 2.67Å
626D91.8Very high93.3Very high8 Ų832.9 Ų32.94%0.04316%0.163CC..G310 helixtrans-78.2-9.1173.4-60.9-40.8000112.1K595 R605 F606 C622 Y623 P624 G628 Y630 L648K595-D626 WeakPolarHBondContact CE-O 3.22Å; R605-D626 IonicContact CZ-OD1 3.56Å; R605-D626 IonicContact CZ-OD2 3.51Å; R605-D626 IonicContact NH1-OD1 2.66Å; R605-D626 PolarHBondContact NH1-OD1 3.12Å; R605-D626 IonicContact NH1-OD2 3.36Å; R605-D626 PolarHBondContact NH1-OD2 2.89Å; R605-D626 IonicContact NH2-OD1 3.44Å; R605-D626 PolarHBondContact NH2-OD1 2.76Å; R605-D626 IonicContact NH2-OD2 3.5Å; R605-D626 PolarHBondContact NH2-OD2 2.99Å; F606-D626 WeakPolarHBondContact CZ-OD1 3.28Å; C622-D626 WeakPolarHBondContact CA-OD2 3.48Å; Y623-D626 PolarHBondContact N-OD2 2.88Å; Y623-D626 WeakPolarHBondContact O-CB 3.41Å; Y623-D626 PolarHBondContact O-N 2.99Å; P624-D626 VanDerWaalsContact C-N 3.32Å; D626-G628 PolarHBondContact O-N 3.06Å; D626-Y630 WeakPolarHBondContact O-CE2 3.25Å; D626-Y630 PolarHBondContact O-OH 3.09Å; D626-L648 HydrophobicContact CB-CD2 4.44Å
627N93.4Very high92.9Very high58 Ų5835.3 Ų35.331%0.3119%0.188SC..  trans-58.7135.8174.3-69.5-24.9000111.8K595 P624 E625 L648 Q649 C650K595-N627 WeakPolarHBondContact CE-O 3.35Å; K595-N627 PolarHBondContact NZ-O 3.16Å; P624-N627 VanDerWaalsContact O-CB 3.31Å; P624-N627 WeakPolarHBondContact O-CB 3.23Å; P624-N627 VanDerWaalsContact O-CG 3.23Å; P624-N627 PolarHBondContact O-N 2.82Å; P624-N627 PolarHBondContact O-ND2 3.48Å; E625-N627 PolarHBondContact O-N 2.67Å; N627-L648 PolarHBondContact OD1-O 2.66Å; N627-Q649 WeakPolarHBondContact OD1-CA 3.4Å; N627-C650 PolarHBondContact ND2-O 3.36Å; N627-C650 WeakPolarHBondContact OD1-CA 3.41Å; N627-C650 WeakPolarHBondContact OD1-CB 3.48Å; N627-C650 PolarHBondContact OD1-N 2.89Å; N627-C650 PolarHBondContact OD1-O 3.41Å
628G93.6Very high92.4Very high16 Ų1637.6 Ų37.617%0.16521%0.206CC..EExtended strand (participates in β ladder)trans160.9-174.4179.700000114.3D596 D626 L648D596-G628 VanDerWaalsContact OD1-CA 3.3Å; D596-G628 WeakPolarHBondContact OD1-CA 3.37Å; D626-G628 PolarHBondContact O-N 3.06Å; G628-L648 PolarHBondContact N-O 3.28Å; G628-L648 PolarHBondContact O-N 3.32Å
629A96.2Very high92.1Very high35 Ų3537.1 Ų37.129%0.28921%0.211SC..EExtended strand (participates in β ladder)trans-95.1106.9-178.800000110.9K595 D596 V645 V646K595-A629 WeakPolarHBondContact CA-O 3.34Å; D596-A629 PolarHBondContact N-O 2.91Å; D596-A629 PolarHBondContact OD1-N 3.42Å; A629-V645 HydrophobicContact CB-CG1 3.75Å; A629-V646 CarbonylContact C-O 3.54Å; A629-V646 WeakPolarHBondContact CA-O 3.18Å
630Y96.8Very high92.1Very high0 Ų043.3 Ų43.30%024%0.24CC..EExtended strand (participates in β ladder)trans-95.1142.2179.9-73.7-98.7000112F577 Y594 K595 V600 L617 I619 D626 V645 V646 L648F577-Y630 HydrophobicContact CE2-CD1 4.2Å; F577-Y630 HydrophobicContact CE2-CD2 4.39Å; F577-Y630 HydrophobicContact CE2-CG 4.09Å; F577-Y630 HydrophobicContact CZ-CD2 4.12Å; F577-Y630 HydrophobicContact CZ-CG 4.05Å; Y594-Y630 VanDerWaalsContact O-CA 3.31Å; Y594-Y630 WeakPolarHBondContact O-CA 3.39Å; K595-Y630 HydrophobicContact CB-CD1 4.17Å; K595-Y630 HydrophobicContact CB-CE1 3.89Å; K595-Y630 HydrophobicContact CD-CE1 4.44Å; K595-Y630 HydrophobicContact CD-CE2 4.22Å; K595-Y630 HydrophobicContact CG-CD1 4.34Å; K595-Y630 HydrophobicContact CG-CD2 4.23Å; K595-Y630 HydrophobicContact CG-CE1 3.91Å; K595-Y630 HydrophobicContact CG-CE2 3.76Å; K595-Y630 HydrophobicContact CG-CG 4.49Å; V600-Y630 HydrophobicContact CG2-CD1 4.38Å; V600-Y630 HydrophobicContact CG2-CE1 4.17Å; L617-Y630 HydrophobicContact CD2-CD1 4.1Å; L617-Y630 HydrophobicContact CD2-CE1 4.25Å; I619-Y630 HydrophobicContact CD1-CE1 4.23Å; D626-Y630 WeakPolarHBondContact O-CE2 3.25Å; D626-Y630 PolarHBondContact O-OH 3.09Å; Y630-V645 WeakPolarHBondContact O-CA 3.3Å; Y630-V646 PolarHBondContact N-O 2.87Å; Y630-V646 WeakPolarHBondContact O-CG2 3.35Å; Y630-V646 PolarHBondContact O-N 3.04Å; Y630-L648 HydrophobicContact CD2-CB 3.79Å; Y630-L648 HydrophobicContact CE2-CB 3.61Å; Y630-L648 HydrophobicContact CE2-CD1 3.96Å; Y630-L648 HydrophobicContact CE2-CG 4.35Å
631F96.6Very high92.3Very high28 Ų2840.8 Ų40.812%0.12323%0.231CC..EExtended strand (participates in β ladder)trans-154.5175167.962.3-88.5000110.3Y594 V633 Q642 V645Y594-F631 VanDerWaalsContact CB-CZ 3.4Å; Y594-F631 HydrophobicContact CD1-CE2 4.4Å; Y594-F631 HydrophobicContact CD1-CZ 4.23Å; Y594-F631 HydrophobicContact CD2-CD2 4.23Å; Y594-F631 AromaticContact CD2-CE2 3.74Å; Y594-F631 HydrophobicContact CD2-CE2 3.74Å; Y594-F631 HydrophobicContact CD2-CZ 4.33Å; Y594-F631 HydrophobicContact CG-CD2 4.33Å; Y594-F631 AromaticContact CG-CE2 3.64Å; Y594-F631 HydrophobicContact CG-CE2 3.64Å; Y594-F631 AromaticContact CG-CZ 3.76Å; Y594-F631 HydrophobicContact CG-CZ 3.76Å; Y594-F631 PolarHBondContact N-O 3.21Å; Y594-F631 PolarHBondContact O-N 3.08Å; F631-V633 HydrophobicContact CD2-CG2 4.22Å; F631-V633 HydrophobicContact CE2-CG2 3.98Å; F631-Q642 HydrophobicContact CD2-CG 3.67Å; F631-Q642 VanDerWaalsContact CD2-NE2 3.26Å; F631-Q642 HydrophobicContact CE2-CG 4.1Å; F631-Q642 HydrophobicContact CG-CG 4.45Å; F631-V645 HydrophobicContact CB-CG2 4.15Å; F631-V645 HydrophobicContact CD1-CG2 4.1Å; F631-V645 HydrophobicContact CG-CG2 4.33Å
632C95.7Very high92.5Very high0 Ų041.9 Ų41.90%024%0.239CC..EExtended strand (participates in β ladder)trans-134.4154.7171.460.20000112.2V591 E592 W593 S643V591-C632 HydrophobicContact CG1-CB 3.86Å; E592-C632 CarbonylContact O-C 3.54Å; E592-C632 WeakPolarHBondContact O-CA 2.87Å; E592-C632 VanDerWaalsContact O-CB 3.25Å; E592-C632 WeakPolarHBondContact O-CB 3.47Å; W593-C632 HydrophobicContact CD2-CB 3.73Å; W593-C632 HydrophobicContact CE3-CB 3.74Å; W593-C632 HydrophobicContact CG-CB 4.24Å; W593-C632 HydrophobicContact CH2-CB 4.39Å; W593-C632 HydrophobicContact CZ2-CB 4.36Å; W593-C632 HydrophobicContact CZ3-CB 4.09Å; C632-S643 PolarHBondContact N-OG 3.47Å; C632-S643 PolarHBondContact O-N 3.39Å; C632-S643 PolarHBondContact O-OG 2.82Å; C632-S643 VanDerWaalsContact O-OG 3.11Å; C632-S643 PolarHBondContact SG-OG 3.14Å
633V95.7Very high92.7Very high13 Ų1342.3 Ų42.38%0.07924%0.243CC..EExtended strand (participates in β ladder)trans-118.5118.6177.8-179.50000107.7V591 E592 Y594 F631 R635 V641 Q642V591-V633 WeakPolarHBondContact CA-O 3.36Å; E592-V633 PolarHBondContact N-O 2.81Å; E592-V633 PolarHBondContact O-N 2.87Å; Y594-V633 HydrophobicContact CD2-CG2 3.93Å; Y594-V633 HydrophobicContact CE2-CB 4.06Å; Y594-V633 HydrophobicContact CE2-CG2 3.64Å; F631-V633 HydrophobicContact CD2-CG2 4.22Å; F631-V633 HydrophobicContact CE2-CG2 3.98Å; V633-R635 HydrophobicContact CG1-CG 4.15Å; V633-V641 CarbonylContact C-O 3.31Å; V633-V641 WeakPolarHBondContact CA-O 3.27Å; V633-Q642 HydrophobicContact CG2-CB 4.49Å; V633-Q642 HydrophobicContact CG2-CG 4.24Å
634A94.7Very high93Very high0 Ų042.2 Ų42.20%025%0.246CC..EExtended strand (participates in β ladder)trans-93.1137.4171.400000109.7P557 F559 V581 L589 T590 V591 Q640 V641P557-A634 HydrophobicContact CB-CB 3.89Å; P557-A634 HydrophobicContact CG-CB 4.3Å; P557-A634 WeakPolarHBondContact CG-O 3.36Å; F559-A634 HydrophobicContact CE1-CB 4.36Å; F559-A634 HydrophobicContact CE2-CB 4.22Å; F559-A634 HydrophobicContact CZ-CB 3.77Å; V581-A634 HydrophobicContact CG1-CB 3.85Å; V581-A634 HydrophobicContact CG2-CB 4.34Å; L589-A634 HydrophobicContact CD1-CB 4.44Å; T590-A634 CarbonylContact O-C 3.59Å; T590-A634 VanDerWaalsContact O-CA 3.31Å; T590-A634 WeakPolarHBondContact O-CA 3.47Å; V591-A634 HydrophobicContact CG2-CB 4.02Å; A634-Q640 CarbonylContact O-C 3.47Å; A634-Q640 VanDerWaalsContact O-CA 3.26Å; A634-Q640 WeakPolarHBondContact O-CA 3.39Å; A634-V641 HydrophobicContact CB-CG1 4.05Å; A634-V641 PolarHBondContact N-O 3.46Å; A634-V641 PolarHBondContact O-N 3.37Å
635R93.1Very high93.4Very high70 Ų7044.6 Ų44.626%0.26426%0.26SS..EExtended strand (participates in β ladder)trans-132.5140.7-178.3-48.3175.6179.6-70-7.5110L589 T590 E592 V633 Q640L589-R635 CarbonylContact C-O 3.57Å; L589-R635 WeakPolarHBondContact CA-O 3.45Å; T590-R635 PolarHBondContact N-O 2.81Å; T590-R635 PolarHBondContact O-N 2.91Å; T590-R635 PolarHBondContact OG1-O 3.46Å; E592-R635 IonicContact OE1-CZ 3.18Å; E592-R635 IonicContact OE1-NE 2.75Å; E592-R635 PolarHBondContact OE1-NE 2.93Å; E592-R635 IonicContact OE1-NH2 2.69Å; E592-R635 IonicContact OE2-CZ 3.94Å; E592-R635 IonicContact OE2-NE 3.87Å; E592-R635 PolarHBondContact OE2-NE 2.97Å; E592-R635 IonicContact OE2-NH2 3.29Å; E592-R635 PolarHBondContact OE2-NH2 3.01Å; V633-R635 HydrophobicContact CG1-CG 4.15Å; R635-Q640 HydrophobicContact CG-CB 4.35Å
636N90.8Very high93.7Very high19 Ų1940.5 Ų40.510%0.10224%0.242CC..EExtended strand (participates in β ladder)trans-145-178167.180.4-5.8000111N555 P557 D586 L589 A638 G639N555-N636 PolarHBondContact O-ND2 2.78Å; P557-N636 WeakPolarHBondContact CD-OD1 3.42Å; D586-N636 WeakPolarHBondContact OD2-CB 3.17Å; D586-N636 PolarHBondContact OD2-ND2 2.72Å; L589-N636 HydrophobicContact CD1-CB 4.44Å; N636-A638 PolarHBondContact O-N 2.92Å; N636-A638 VanDerWaalsContact O-N 3.12Å; N636-A638 WeakPolarHBondContact OD1-CA 2.99Å; N636-A638 WeakPolarHBondContact OD1-CB 3.28Å; N636-A638 PolarHBondContact OD1-N 3.44Å; N636-G639 PolarHBondContact N-O 3.46Å; N636-G639 PolarHBondContact O-N 3.1Å; N636-G639 VanDerWaalsContact O-O 3.13Å; N636-G639 PolarHBondContact OD1-N 3.41Å; N636-G639 PolarHBondContact OD1-O 2.83Å
637A86.9Confident93.9Very high81 Ų8144.8 Ų44.867%0.66926%0.262SS*.THydrogen-bonded Turntrans-62.9-15179.600000115.3P553 S588P553-A637 HydrophobicContact CB-CB 4.48Å; P553-A637 HydrophobicContact CG-CB 4.02Å; S588-A637 PolarHBondContact OG-N 2.8Å
638A85.3Confident94Very high47 Ų4742.1 Ų42.139%0.38825%0.247SC..THydrogen-bonded Turntrans-102.1-14.1179.200000114P553 N636P553-A638 HydrophobicContact CB-CB 4.49Å; N636-A638 PolarHBondContact O-N 2.92Å; N636-A638 VanDerWaalsContact O-N 3.12Å; N636-A638 WeakPolarHBondContact OD1-CA 2.99Å; N636-A638 WeakPolarHBondContact OD1-CB 3.28Å; N636-A638 PolarHBondContact OD1-N 3.44Å
639G89.9Confident94Very high30 Ų3045.1 Ų45.131%0.30926%0.257SS..EExtended strand (participates in β ladder)trans165.4-166.617600000115.5P557 N636P557-G639 WeakPolarHBondContact CD-O 3.49Å; N636-G639 PolarHBondContact N-O 3.46Å; N636-G639 PolarHBondContact O-N 3.1Å; N636-G639 VanDerWaalsContact O-O 3.13Å; N636-G639 PolarHBondContact OD1-N 3.41Å; N636-G639 PolarHBondContact OD1-O 2.83Å
640Q93.9Very high93.7Very high132 Ų13243.8 Ų43.862%0.61725%0.245SC*.EExtended strand (participates in β ladder)trans-134.1150.3175.664.61783.500110.4A634 R635A634-Q640 CarbonylContact O-C 3.47Å; A634-Q640 VanDerWaalsContact O-CA 3.26Å; A634-Q640 WeakPolarHBondContact O-CA 3.39Å; R635-Q640 HydrophobicContact CG-CB 4.35Å
641V95Very high93.3Very high42 Ų4248.5 Ų48.526%0.25527%0.27SS..EExtended strand (participates in β ladder)trans-141.9146.9173.272.80000110.1P557 F559 V633 A634P557-V641 HydrophobicContact CB-CG1 3.84Å; P557-V641 HydrophobicContact CG-CB 4.26Å; P557-V641 HydrophobicContact CG-CG1 3.81Å; P557-V641 WeakPolarHBondContact O-CB 3.49Å; P557-V641 WeakPolarHBondContact O-CG1 3.23Å; F559-V641 HydrophobicContact CD2-CG1 3.7Å; F559-V641 HydrophobicContact CD2-CG2 4.38Å; F559-V641 HydrophobicContact CE2-CG1 3.61Å; V633-V641 CarbonylContact C-O 3.31Å; V633-V641 WeakPolarHBondContact CA-O 3.27Å; A634-V641 HydrophobicContact CB-CG1 4.05Å; A634-V641 PolarHBondContact N-O 3.46Å; A634-V641 PolarHBondContact O-N 3.37Å
642Q95.7Very high92.4Very high107 Ų10750.1 Ų50.150%0.529%0.289SS..EExtended strand (participates in β ladder)trans-106.4140.2176.3-171.5-176-14.200109.7F559 F631 V633F559-Q642 VanDerWaalsContact CE2-C 3.46Å; F631-Q642 HydrophobicContact CD2-CG 3.67Å; F631-Q642 VanDerWaalsContact CD2-NE2 3.26Å; F631-Q642 HydrophobicContact CE2-CG 4.1Å; F631-Q642 HydrophobicContact CG-CG 4.45Å; V633-Q642 HydrophobicContact CG2-CB 4.49Å; V633-Q642 HydrophobicContact CG2-CG 4.24Å
643S95.2Very high91.5Very high10 Ų1053.1 Ų53.17%0.0731%0.305CS..PPolyproline II helixtrans-78.4172.8174.3580000111.8L563 C632 V645L563-S643 WeakPolarHBondContact CD1-OG 3.21Å; C632-S643 PolarHBondContact N-OG 3.47Å; C632-S643 PolarHBondContact O-N 3.39Å; C632-S643 PolarHBondContact O-OG 2.82Å; C632-S643 VanDerWaalsContact O-OG 3.11Å; C632-S643 PolarHBondContact SG-OG 3.14Å; S643-V645 PolarHBondContact O-N 2.8Å
644N95.7Very high90.1Very high63 Ų6361.9 Ų61.934%0.33735%0.345SS..PPolyproline II helixtrans-64.9135.7171.861.8-69.1000110.7P562 L563 V646P562-N644 WeakPolarHBondContact CA-OD1 3.02Å; P562-N644 VanDerWaalsContact CB-OD1 3.26Å; P562-N644 WeakPolarHBondContact CB-OD1 3.04Å; L563-N644 PolarHBondContact N-OD1 2.87Å; L563-N644 PolarHBondContact O-ND2 3.18Å; N644-V646 WeakPolarHBondContact ND2-CG1 3.45Å
645V96.3Very high88.7Confident82 Ų8270.5 Ų70.550%0.49739%0.385SS..PPolyproline II helixtrans-69135.3172.3-174.40000109.5A629 Y630 F631 S643A629-V645 HydrophobicContact CB-CG1 3.75Å; Y630-V645 WeakPolarHBondContact O-CA 3.3Å; F631-V645 HydrophobicContact CB-CG2 4.15Å; F631-V645 HydrophobicContact CD1-CG2 4.1Å; F631-V645 HydrophobicContact CG-CG2 4.33Å; S643-V645 PolarHBondContact O-N 2.8Å
646V96.4Very high87.3Confident10 Ų1071.3 Ų71.36%0.06139%0.394CS..EExtended strand (participates in β ladder)trans-129.5155.9177.6-70.10000111.2L563 P565 F577 A629 Y630 N644L563-V646 HydrophobicContact CB-CB 4.44Å; L563-V646 HydrophobicContact CB-CG1 3.67Å; L563-V646 HydrophobicContact CB-CG2 3.86Å; L563-V646 HydrophobicContact CD1-CG2 4.15Å; L563-V646 VanDerWaalsContact O-CG1 3.29Å; L563-V646 WeakPolarHBondContact O-CG1 3.49Å; P565-V646 HydrophobicContact CB-CB 4.36Å; F577-V646 HydrophobicContact CD1-CG2 3.93Å; F577-V646 HydrophobicContact CE1-CG2 3.61Å; A629-V646 CarbonylContact C-O 3.54Å; A629-V646 WeakPolarHBondContact CA-O 3.18Å; Y630-V646 PolarHBondContact N-O 2.87Å; Y630-V646 WeakPolarHBondContact O-CG2 3.35Å; Y630-V646 PolarHBondContact O-N 3.04Å; N644-V646 WeakPolarHBondContact ND2-CG1 3.45Å
647E95.3Very high86.2Confident98 Ų9875.5 Ų75.546%0.45842%0.42SS..EExtended strand (participates in β ladder)trans-98.9140.6-179.3-161.1178.9178.300111.3P565 Q566 Q649P565-E647 WeakPolarHBondContact CA-O 3.14Å; Q566-E647 PolarHBondContact N-O 2.81Å; E647-Q649 HydrophobicContact CG-CG 4.03Å; E647-Q649 PolarHBondContact OE1-NE2 3.08Å; E647-Q649 PolarHBondContact OE2-NE2 3.2Å
648L94.6Very high85Confident1 Ų174.3 Ų74.31%0.00540%0.404CS..EExtended strand (participates in β ladder)trans-105.3127.1161.8-168.7150.8000109.1Q566 L569 A575 F577 I619 D626 N627 G628 Y630 C650Q566-L648 HydrophobicContact CB-CG 4.42Å; Q566-L648 WeakPolarHBondContact O-CA 3.28Å; L569-L648 HydrophobicContact CD1-CD2 4.43Å; L569-L648 HydrophobicContact CD1-CG 4.28Å; A575-L648 HydrophobicContact CB-CD1 3.83Å; F577-L648 HydrophobicContact CE2-CD1 4.02Å; F577-L648 HydrophobicContact CZ-CB 4.26Å; F577-L648 HydrophobicContact CZ-CD1 4.03Å; I619-L648 HydrophobicContact CD1-CD1 3.56Å; D626-L648 HydrophobicContact CB-CD2 4.44Å; N627-L648 PolarHBondContact OD1-O 2.66Å; G628-L648 PolarHBondContact N-O 3.28Å; G628-L648 PolarHBondContact O-N 3.32Å; Y630-L648 HydrophobicContact CD2-CB 3.79Å; Y630-L648 HydrophobicContact CE2-CB 3.61Å; Y630-L648 HydrophobicContact CE2-CD1 3.96Å; Y630-L648 HydrophobicContact CE2-CG 4.35Å; L648-C650 HydrophobicContact CD2-CB 3.97Å
649Q93.5Very high84.2Confident80 Ų8076 Ų7637%0.37441%0.414SS..EExtended strand (participates in β ladder)trans-128.1111.5172.5-64.4179.1-10.500110.7Q566 V567 G568 L569 N627 E647Q566-Q649 PolarHBondContact O-N 2.67Å; V567-Q649 HydrophobicContact CB-CB 4.16Å; V567-Q649 HydrophobicContact CB-CG 4.49Å; V567-Q649 HydrophobicContact CG1-CB 4.07Å; V567-Q649 HydrophobicContact CG1-CG 3.95Å; G568-Q649 PolarHBondContact N-O 3.02Å; L569-Q649 PolarHBondContact N-O 3.23Å; N627-Q649 WeakPolarHBondContact OD1-CA 3.4Å; E647-Q649 HydrophobicContact CG-CG 4.03Å; E647-Q649 PolarHBondContact OE1-NE2 3.08Å; E647-Q649 PolarHBondContact OE2-NE2 3.2Å
650C90.6Very high83.2Confident6 Ų678 Ų784%0.04142%0.423CS..EExtended strand (participates in β ladder)trans-114.7124.7175.5-178.90000109.4L569 R570 C622 N627 L648L569-C650 HydrophobicContact CB-CB 4.27Å; L569-C650 CarbonylContact O-C 3.56Å; L569-C650 WeakPolarHBondContact O-CA 3.47Å; R570-C650 VanDerWaalsContact C-SG 3.55Å; R570-C650 PolarHBondContact O-SG 3.25Å; C622-C650 HydrophobicContact CB-CB 4.13Å; N627-C650 PolarHBondContact ND2-O 3.36Å; N627-C650 WeakPolarHBondContact OD1-CA 3.41Å; N627-C650 WeakPolarHBondContact OD1-CB 3.48Å; N627-C650 PolarHBondContact OD1-N 2.89Å; N627-C650 PolarHBondContact OD1-O 3.41Å; L648-C650 HydrophobicContact CD2-CB 3.97Å
651N87.5Confident82.4Confident99 Ų9978.1 Ų78.153%0.52943%0.432SS..EExtended strand (participates in β ladder)trans-89127.1177.7-71.474.3000110.4L569 E571L569-N651 PolarHBondContact O-N 3.3Å; L569-N651 PolarHBondContact O-OD1 2.69Å; E571-N651 PolarHBondContact N-O 2.84Å
652A78.5Confident81.6Confident63 Ų6380.3 Ų80.352%0.52144%0.442SS..PPolyproline II helixtrans-61.9143.2172.100000111.8E571 P624E571-A652 WeakPolarHBondContact OE2-CA 3.47Å; P624-A652 HydrophobicContact CB-CB 4.39Å; P624-A652 HydrophobicContact CG-CB 3.49Å; P624-A652 VanDerWaalsContact CG-CB 3.49Å
653D76.5Confident80.9Confident63 Ų6377.8 Ų77.834%0.33744%0.436SS..PPolyproline II helixtrans-93132.3166.1-84.5-34.1000109.5R570 E571 H655 I656R570-D653 IonicContact NH1-OD1 2.67Å; R570-D653 PolarHBondContact NH1-OD1 2.76Å; E571-D653 PolarHBondContact OE2-N 3.11Å; D653-H655 PolarHBondContact O-N 2.93Å; D653-I656 PolarHBondContact O-N 3.39Å; D653-I656 VanDerWaalsContact O-N 3.11Å
654E67.7Low80.3Confident197 Ų19786.2 Ų86.292%0.92147%0.472SS*.THydrogen-bonded Turntrans-60.91.8-171.2-65-171.1132.200116.1
655H65.3Low79.6Confident181 Ų18191 Ų9184%0.83849%0.492SS*.THydrogen-bonded Turntrans-112-2.8-178.3-63.4-27.7000114D653D653-H655 PolarHBondContact O-N 2.93Å
656I63.6Low78.8Confident87 Ų8789.5 Ų89.545%0.44649%0.485SS..  trans-111.1123.4179.1-51.8178.5000109.8E571 D653 T658E571-I656 HydrophobicContact CG-CD1 4.25Å; E571-I656 WeakPolarHBondContact OE1-CB 3.23Å; E571-I656 VanDerWaalsContact OE1-CG2 3.24Å; E571-I656 WeakPolarHBondContact OE1-CG2 3.35Å; D653-I656 PolarHBondContact O-N 3.39Å; D653-I656 VanDerWaalsContact O-N 3.11Å; I656-T658 HydrophobicContact CG2-CG2 3.96Å; I656-T658 PolarHBondContact O-N 3.29Å
657V65.8Low78.1Confident106 Ų10691.4 Ų91.464%0.64249%0.494SS*.  trans-94.688.4174.6-1770000108.1S659 V661V657-S659 VanDerWaalsContact C-N 3.32Å; V657-S659 WeakPolarHBondContact CG1-OG 3.4Å; V657-V661 HydrophobicContact CG1-CG2 4.32Å
658T63Low77.5Confident56 Ų5690.3 Ų90.334%0.34450%0.497SS..  trans-77.8-17.7173.8630000112.9E571 Y623 I656E571-T658 WeakPolarHBondContact OE1-CG2 3.43Å; Y623-T658 HydrophobicContact CD1-CG2 3.91Å; Y623-T658 HydrophobicContact CE1-CG2 4.48Å; I656-T658 HydrophobicContact CG2-CG2 3.96Å; I656-T658 PolarHBondContact O-N 3.29Å
659S68.3Low77Confident84 Ų8497.3 Ų97.359%0.58753%0.525SS*.SBendtrans-68.1142.8175.357.30000111.6V657 V661V657-S659 VanDerWaalsContact C-N 3.32Å; V657-S659 WeakPolarHBondContact CG1-OG 3.4Å; S659-V661 PolarHBondContact O-N 3Å
660S68.5Low76.3Confident72 Ų7297.1 Ų97.150%0.50353%0.526SS..  trans-60.8121.7-178.3-1690000111.4L662S660-L662 PolarHBondContact O-N 3.35Å; S660-L662 WeakPolarHBondContact OG-CB 3.35Å
661V77.7Confident75.9Confident133 Ų133102.6 Ų102.681%0.80655%0.551SS**  trans-78.3-1.5176.8-163.20000111.7V657 S659V657-V661 HydrophobicContact CG1-CG2 4.32Å; S659-V661 PolarHBondContact O-N 3Å
662L77.6Confident75.7Confident88 Ų88100.3 Ų100.346%0.46154%0.543SS..SBendtrans-74.4154.7179-61.7178.8000112.2S660 I667 L670S660-L662 PolarHBondContact O-N 3.35Å; S660-L662 WeakPolarHBondContact OG-CB 3.35Å; L662-I667 HydrophobicContact CB-CD1 4.44Å; L662-I667 HydrophobicContact CB-CG1 3.93Å; L662-L670 HydrophobicContact CD1-CD1 3.45Å; L662-L670 VanDerWaalsContact CD1-CD1 3.45Å
663S80.7Confident75.6Confident54 Ų54101 Ų10138%0.37854%0.537SS..  trans-66.9157.8173.385.90000111.1E665 S666 I667S663-E665 PolarHBondContact O-N 3.32Å; S663-E665 PolarHBondContact OG-N 2.99Å; S663-S666 PolarHBondContact O-N 2.89Å; S663-S666 VanDerWaalsContact O-N 3.11Å; S663-S666 PolarHBondContact OG-N 2.88Å; S663-S666 VanDerWaalsContact OG-N 3.1Å; S663-S666 PolarHBondContact OG-OG 3.11Å; S663-I667 WeakPolarHBondContact O-CG1 3.46Å; S663-I667 PolarHBondContact O-N 2.85Å
664K83.7Confident75.6Confident188 Ų188102.5 Ų102.582%0.81755%0.545SS*.Hα-helixtrans-58.2-31.2175.1-67.4-176.5177.7-178.60112.7S668K664-S668 WeakPolarHBondContact O-CB 3.29Å; K664-S668 PolarHBondContact O-N 3.39Å
665E81.1Confident76.1Confident162 Ų16295.2 Ų95.276%0.75752%0.519SS*.Hα-helixtrans-69.4-46.7176-65.9145-163.900110.6S663 I667 S668 Y669S663-E665 PolarHBondContact O-N 3.32Å; S663-E665 PolarHBondContact OG-N 2.99Å; E665-I667 PolarHBondContact O-N 3.12Å; E665-S668 PolarHBondContact O-N 3.45Å; E665-Y669 WeakPolarHBondContact O-CB 3.46Å; E665-Y669 PolarHBondContact O-N 3.05Å
666S79.1Confident76.5Confident51 Ų5196.4 Ų96.436%0.35752%0.516SS..Hα-helixtrans-62.1-40.7174.5-59.70000112.4S663 Y669 L670S663-S666 PolarHBondContact O-N 2.89Å; S663-S666 VanDerWaalsContact O-N 3.11Å; S663-S666 PolarHBondContact OG-N 2.88Å; S663-S666 VanDerWaalsContact OG-N 3.1Å; S663-S666 PolarHBondContact OG-OG 3.11Å; S666-Y669 PolarHBondContact O-N 3.04Å; S666-L670 WeakPolarHBondContact O-CG 3.2Å; S666-L670 PolarHBondContact O-N 3.08Å
667I81.6Confident76.9Confident51 Ų5198.1 Ų98.126%0.26252%0.522SS..Hα-helixtrans-63.9-45.1175.4-66166.1000110.4L662 S663 E665 Y669 L670 Q671L662-I667 HydrophobicContact CB-CD1 4.44Å; L662-I667 HydrophobicContact CB-CG1 3.93Å; S663-I667 WeakPolarHBondContact O-CG1 3.46Å; S663-I667 PolarHBondContact O-N 2.85Å; E665-I667 PolarHBondContact O-N 3.12Å; I667-Y669 VanDerWaalsContact C-N 3.28Å; I667-Y669 PolarHBondContact O-N 2.76Å; I667-L670 PolarHBondContact O-N 2.85Å; I667-Q671 HydrophobicContact CG2-CG 4.43Å; I667-Q671 WeakPolarHBondContact O-CB 3.2Å; I667-Q671 VanDerWaalsContact O-CG 3.3Å; I667-Q671 WeakPolarHBondContact O-CG 3.46Å; I667-Q671 PolarHBondContact O-N 2.76Å
668S83.4Confident77.1Confident74 Ų7496.5 Ų96.552%0.51752%0.516SS..Hα-helixtrans-64.8-31.7176.7-1720000112.8K664 E665 S672K664-S668 WeakPolarHBondContact O-CB 3.29Å; K664-S668 PolarHBondContact O-N 3.39Å; E665-S668 PolarHBondContact O-N 3.45Å; S668-S672 PolarHBondContact O-N 3.04Å
669Y82.3Confident77.6Confident149 Ų149100 Ų10058%0.58453%0.532SS*.Hα-helixtrans-70.3-47.7174.9-179.8-105.5000111.3E665 S666 I667 Q671 S672 L673E665-Y669 WeakPolarHBondContact O-CB 3.46Å; E665-Y669 PolarHBondContact O-N 3.05Å; S666-Y669 PolarHBondContact O-N 3.04Å; I667-Y669 VanDerWaalsContact C-N 3.28Å; I667-Y669 PolarHBondContact O-N 2.76Å; Y669-Q671 PolarHBondContact O-N 2.76Å; Y669-S672 WeakPolarHBondContact O-CB 3.23Å; Y669-S672 PolarHBondContact O-N 3.12Å; Y669-S672 PolarHBondContact O-OG 2.82Å; Y669-L673 HydrophobicContact CD1-CD1 4.15Å; Y669-L673 HydrophobicContact CE1-CD1 3.62Å; Y669-L673 HydrophobicContact CE1-CG 4.31Å; Y669-L673 PolarHBondContact O-N 3.1Å
670L79.7Confident77.5Confident76 Ų7699 Ų9940%0.39853%0.529SS..Hα-helixtrans-59.7-46.1174.9-69.8175.2000111.7L662 S666 I667 S672 L673 D674L662-L670 HydrophobicContact CD1-CD1 3.45Å; L662-L670 VanDerWaalsContact CD1-CD1 3.45Å; S666-L670 WeakPolarHBondContact O-CG 3.2Å; S666-L670 PolarHBondContact O-N 3.08Å; I667-L670 PolarHBondContact O-N 2.85Å; L670-S672 PolarHBondContact O-N 3.08Å; L670-S672 VanDerWaalsContact O-N 3.17Å; L670-L673 CarbonylContact O-C 3.57Å; L670-L673 WeakPolarHBondContact O-CA 3.25Å; L670-L673 WeakPolarHBondContact O-CB 3.02Å; L670-L673 PolarHBondContact O-N 2.84Å; L670-D674 VanDerWaalsContact O-CG 3.3Å; L670-D674 PolarHBondContact O-N 3.27Å
671Q82.7Confident77.1Confident120 Ų120101 Ų10156%0.56153%0.532SS*.Hα-helixtrans-59.5-28.8174.9-73.9175.5-14.700113.2I667 Y669 A675I667-Q671 HydrophobicContact CG2-CG 4.43Å; I667-Q671 WeakPolarHBondContact O-CB 3.2Å; I667-Q671 VanDerWaalsContact O-CG 3.3Å; I667-Q671 WeakPolarHBondContact O-CG 3.46Å; I667-Q671 PolarHBondContact O-N 2.76Å; Y669-Q671 PolarHBondContact O-N 2.76Å; Q671-A675 WeakPolarHBondContact O-CB 2.94Å; Q671-A675 PolarHBondContact O-N 3.04Å; Q671-A675 VanDerWaalsContact O-N 3.15Å
672S81.7Confident76.2Confident51 Ų5197.4 Ų97.436%0.35752%0.516SS..Hα-helixtrans-74.9-32.9172.976.90000112.7S668 Y669 L670 W676S668-S672 PolarHBondContact O-N 3.04Å; Y669-S672 WeakPolarHBondContact O-CB 3.23Å; Y669-S672 PolarHBondContact O-N 3.12Å; Y669-S672 PolarHBondContact O-OG 2.82Å; L670-S672 PolarHBondContact O-N 3.08Å; L670-S672 VanDerWaalsContact O-N 3.17Å; S672-W676 PolarHBondContact O-N 3.13Å; S672-W676 VanDerWaalsContact O-N 3.1Å
673L78.2Confident74.9Confident79 Ų7994.5 Ų94.541%0.41451%0.507SS..Hα-helixtrans-70.6-46.5172.4-65.6176.5000111.4Y669 L670 A675 W676 E677Y669-L673 HydrophobicContact CD1-CD1 4.15Å; Y669-L673 HydrophobicContact CE1-CD1 3.62Å; Y669-L673 HydrophobicContact CE1-CG 4.31Å; Y669-L673 PolarHBondContact O-N 3.1Å; L670-L673 CarbonylContact O-C 3.57Å; L670-L673 WeakPolarHBondContact O-CA 3.25Å; L670-L673 WeakPolarHBondContact O-CB 3.02Å; L670-L673 PolarHBondContact O-N 2.84Å; L673-A675 PolarHBondContact O-N 3.32Å; L673-W676 PolarHBondContact O-N 3.21Å; L673-W676 VanDerWaalsContact O-N 3.08Å; L673-E677 PolarHBondContact O-N 3.32Å
674D76.3Confident73.4Confident93 Ų93101.4 Ų101.450%0.49753%0.526SS..Hα-helixtrans-56.5-38.6175.9-61.8-22.3000111.3L670 S678L670-D674 VanDerWaalsContact O-CG 3.3Å; L670-D674 PolarHBondContact O-N 3.27Å; D674-S678 VanDerWaalsContact O-CB 3.23Å; D674-S678 WeakPolarHBondContact O-CB 3.48Å; D674-S678 PolarHBondContact O-N 3.49Å; D674-S678 PolarHBondContact O-OG 3.26Å
675A76.9Confident71.8Confident45 Ų4599.6 Ų99.637%0.37253%0.526SS..Hα-helixtrans-68.7-43.6175.400000112.4Q671 L673 S678 D679Q671-A675 WeakPolarHBondContact O-CB 2.94Å; Q671-A675 PolarHBondContact O-N 3.04Å; Q671-A675 VanDerWaalsContact O-N 3.15Å; L673-A675 PolarHBondContact O-N 3.32Å; A675-S678 PolarHBondContact O-N 3.34Å; A675-D679 PolarHBondContact O-N 3.41Å
676W75.1Confident70.1Confident206 Ų20696.6 Ų96.678%0.7852%0.519SS*.Hα-helixtrans-65.4-38.1175.9-83.653.1000112.3S672 L673 A680S672-W676 PolarHBondContact O-N 3.13Å; S672-W676 VanDerWaalsContact O-N 3.1Å; L673-W676 PolarHBondContact O-N 3.21Å; L673-W676 VanDerWaalsContact O-N 3.08Å; W676-A680 VanDerWaalsContact O-CB 3.31Å; W676-A680 WeakPolarHBondContact O-CB 3.07Å; W676-A680 PolarHBondContact O-N 2.9Å
677E72.4Confident68.1Low123 Ų123100.5 Ų100.558%0.57554%0.54SS*.Hα-helixtrans-69.5-37.7174.3-173.9163.4-164.300111.4L673 A680 M681L673-E677 PolarHBondContact O-N 3.32Å; E677-A680 PolarHBondContact O-N 3.06Å; E677-M681 HydrophobicContact CG-CG 4.44Å; E677-M681 WeakPolarHBondContact O-CB 3.49Å; E677-M681 WeakPolarHBondContact O-CG 3.08Å; E677-M681 PolarHBondContact O-N 3.17Å
678S69.9Low66.2Low72 Ų72105.4 Ų105.450%0.50356%0.559SS.*Hα-helixtrans-62.9-45.5173.4-63.20000112.4D674 A675 A680 M681 A682D674-S678 VanDerWaalsContact O-CB 3.23Å; D674-S678 WeakPolarHBondContact O-CB 3.48Å; D674-S678 PolarHBondContact O-N 3.49Å; D674-S678 PolarHBondContact O-OG 3.26Å; A675-S678 PolarHBondContact O-N 3.34Å; S678-A680 VanDerWaalsContact C-N 3.34Å; S678-M681 PolarHBondContact O-N 3.48Å; S678-A682 VanDerWaalsContact O-CB 3.3Å; S678-A682 WeakPolarHBondContact O-CB 3.41Å; S678-A682 PolarHBondContact O-N 2.86Å
679D71.5Confident64.3Low128 Ų128112.2 Ų112.268%0.68457%0.574SS**Hα-helixtrans-65.4-36.9176.1-78.8-18.5000111.6A675 G683A675-D679 PolarHBondContact O-N 3.41Å; D679-G683 PolarHBondContact O-N 2.75Å
680A66.5Low62.6Low63 Ų63112.6 Ų112.652%0.52159%0.586SS.*Hα-helixtrans-67.6-41.8174.700000112.8W676 E677 S678 G683W676-A680 VanDerWaalsContact O-CB 3.31Å; W676-A680 WeakPolarHBondContact O-CB 3.07Å; W676-A680 PolarHBondContact O-N 2.9Å; E677-A680 PolarHBondContact O-N 3.06Å; S678-A680 VanDerWaalsContact C-N 3.34Å; A680-G683 PolarHBondContact O-N 3.45Å
681M61.1Low61.4Low115 Ų115117 Ų11757%0.56760%0.604SS**Hα-helixtrans-70.7-37176.9-77.9-70.5-171.600112.7E677 S678 G683 Y684 D685E677-M681 HydrophobicContact CG-CG 4.44Å; E677-M681 WeakPolarHBondContact O-CB 3.49Å; E677-M681 WeakPolarHBondContact O-CG 3.08Å; E677-M681 PolarHBondContact O-N 3.17Å; S678-M681 PolarHBondContact O-N 3.48Å; M681-G683 PolarHBondContact O-N 2.8Å; M681-Y684 WeakPolarHBondContact O-CA 3.48Å; M681-Y684 VanDerWaalsContact O-CB 3.29Å; M681-Y684 WeakPolarHBondContact O-CB 3.24Å; M681-Y684 PolarHBondContact O-N 3.48Å; M681-D685 PolarHBondContact O-N 3.33Å
682A59.6Low60.4Low58 Ų58118.2 Ų118.248%0.47961%0.61SS.*Hα-helixtrans-60.9-30.8174.600000112.2S678 Y684 T686S678-A682 VanDerWaalsContact O-CB 3.3Å; S678-A682 WeakPolarHBondContact O-CB 3.41Å; S678-A682 PolarHBondContact O-N 2.86Å; A682-Y684 PolarHBondContact O-N 2.9Å; A682-T686 PolarHBondContact O-OG1 3.09Å
683G48.6Very low59.8Low26 Ų26121.7 Ų121.727%0.26862%0.62SS.*Hα-helixtrans-75.7-0.1171.300000115.6D679 A680 M681 K688D679-G683 PolarHBondContact O-N 2.75Å; A680-G683 PolarHBondContact O-N 3.45Å; M681-G683 PolarHBondContact O-N 2.8Å; G683-K688 VanDerWaalsContact O-CE 3.29Å; G683-K688 WeakPolarHBondContact O-CE 3.35Å
684Y48.8Very low59.8Low199 Ų199123 Ų12378%0.7863%0.634SS**Hα-helixtrans-105.5-38.5-179-126-84.4000113.1M681 A682M681-Y684 WeakPolarHBondContact O-CA 3.48Å; M681-Y684 VanDerWaalsContact O-CB 3.29Å; M681-Y684 WeakPolarHBondContact O-CB 3.24Å; M681-Y684 PolarHBondContact O-N 3.48Å; A682-Y684 PolarHBondContact O-N 2.9Å
685D50.6Low60.3Low151 Ų151122.3 Ų122.381%0.80764%0.635SS**Hα-helixtrans-84.2-10.9-178-15022000113M681 V687M681-D685 PolarHBondContact O-N 3.33Å; D685-V687 PolarHBondContact O-N 2.79Å
686T45.4Very low60.8Low99 Ų99122.8 Ų122.861%0.60763%0.634SS**SBendtrans-93.568-179.945.60000113.2A682 K688A682-T686 PolarHBondContact O-OG1 3.09Å; T686-K688 PolarHBondContact O-N 2.84Å
687V38.6Very low61.6Low132 Ų132115.6 Ų115.680%0.862%0.619SS**  trans25.666.9165.8-166.60000114.2D685 R689D685-V687 PolarHBondContact O-N 2.79Å; V687-R689 PolarHBondContact O-N 2.87Å
688K41Very low62.6Low155 Ų155110.2 Ų110.267%0.67460%0.595SS**  trans-67.4100.1165-74.1-164.6175.3-173.80108.6G683 T686G683-K688 VanDerWaalsContact O-CE 3.29Å; G683-K688 WeakPolarHBondContact O-CE 3.35Å; T686-K688 PolarHBondContact O-N 2.84Å
689R44.1Very low63.7Low217 Ų217109.8 Ų109.882%0.81959%0.591SS**  trans-46.3150.3149.4-72.2178171.5145.1-1.8108.4V687 E691V687-R689 PolarHBondContact O-N 2.87Å; R689-E691 PolarHBondContact O-N 2.7Å
690D45.2Very low64.7Low156 Ų156105.1 Ų105.183%0.83457%0.565SS**  trans-64.275.8-176.2-48.4-96.6000112.7E692D690-E692 PolarHBondContact O-N 2.9Å
691E55.5Low65.8Low170 Ų170105.9 Ų105.979%0.79456%0.56SS**  trans-68.784.6152-67.4-163.1147.900106.5R689 E693R689-E691 PolarHBondContact O-N 2.7Å; E691-E693 PolarHBondContact O-N 3.46Å; E691-E693 VanDerWaalsContact O-N 3.1Å
692E60.2Low67.3Low145 Ų145103.4 Ų103.468%0.67855%0.549SS*.PPolyproline II helixtrans-48.1116.7173-62.2-175.7145.700108.8D690 Y724D690-E692 PolarHBondContact O-N 2.9Å; E692-Y724 HydrophobicContact CB-CE1 4.18Å
693E69.6Low68.9Low123 Ų123105.9 Ų105.958%0.57555%0.553SS**PPolyproline II helixtrans-57137.6178.9-67.2-172.2139.900109.2E691 P695 Y724E691-E693 PolarHBondContact O-N 3.46Å; E691-E693 VanDerWaalsContact O-N 3.1Å; E693-P695 WeakPolarHBondContact O-CD 3.39Å; E693-P695 VanDerWaalsContact O-N 3.09Å; E693-Y724 HydrophobicContact CB-CD2 3.74Å; E693-Y724 HydrophobicContact CB-CE2 4.31Å; E693-Y724 HydrophobicContact CB-CG 3.84Å; E693-Y724 HydrophobicContact CG-CD2 4.32Å; E693-Y724 WeakPolarHBondContact O-CD1 3.46Å
694P79.8Confident71.1Confident106 Ų106105.1 Ų105.169%0.68854%0.544SS*.PPolyproline II helixtrans-55.6120.6-172.621-33000110.1C696P694-C696 WeakPolarHBondContact O-CB 3.28Å; P694-C696 PolarHBondContact O-N 2.91Å; P694-C696 VanDerWaalsContact O-N 3.09Å
695P85.5Confident73.2Confident80 Ų80100.8 Ų100.852%0.51954%0.538SS..PPolyproline II helixtrans-52.6118.3-169-31.735.8000112.8E693 Y724 M779E693-P695 WeakPolarHBondContact O-CD 3.39Å; E693-P695 VanDerWaalsContact O-N 3.09Å; P695-Y724 CarbonylContact C-O 3.46Å; P695-Y724 WeakPolarHBondContact CA-O 3.31Å; P695-M779 HydrophobicContact CB-CE 3.92Å; P695-M779 HydrophobicContact CB-CG 3.86Å; P695-M779 HydrophobicContact CB-SD 3.69Å
696C87.5Confident75.3Confident54 Ų5496.4 Ų96.437%0.36552%0.522SS..EExtended strand (participates in β ladder)trans-132.3138.9-170.657.50000111.4P694 Y724 N777P694-C696 WeakPolarHBondContact O-CB 3.28Å; P694-C696 PolarHBondContact O-N 2.91Å; P694-C696 VanDerWaalsContact O-N 3.09Å; C696-Y724 PolarHBondContact N-O 2.8Å; C696-Y724 PolarHBondContact O-N 3.23Å; C696-Y724 VanDerWaalsContact O-N 3.11Å; C696-Y724 VanDerWaalsContact O-O 3.1Å; C696-Y724 PolarHBondContact SG-N 3.15Å; C696-N777 PolarHBondContact O-ND2 3.39Å
697A91.6Very high77.6Confident55 Ų5593.4 Ų93.446%0.45550%0.504SS..EExtended strand (participates in β ladder)trans-60.3152.1175.500000110.5M779A697-M779 HydrophobicContact CB-CB 4.43Å
698P93.2Very high80.2Confident11 Ų1190.8 Ų90.87%0.07149%0.488CS..EExtended strand (participates in β ladder)trans-62.8143.3-178.526.1-34.6000111.9G722 P727 A775 N777 G780 A782P698-G722 VanDerWaalsContact CA-O 3.28Å; P698-G722 WeakPolarHBondContact CA-O 3.27Å; P698-P727 HydrophobicContact CB-CB 3.93Å; P698-P727 HydrophobicContact CB-CG 4.12Å; P698-A775 HydrophobicContact CB-CB 3.8Å; P698-A775 HydrophobicContact CG-CB 4.46Å; P698-A775 VanDerWaalsContact CG-O 3.31Å; P698-A775 WeakPolarHBondContact CG-O 3.35Å; P698-N777 WeakPolarHBondContact CD-OD1 3.49Å; P698-G780 VanDerWaalsContact CD-C 3.44Å; P698-G780 WeakPolarHBondContact CD-O 3.44Å; P698-G780 WeakPolarHBondContact CG-O 3.36Å; P698-A782 HydrophobicContact CB-CB 4.2Å; P698-A782 HydrophobicContact CG-CB 4Å; P698-A782 VanDerWaalsContact O-CB 3.28Å; P698-A782 WeakPolarHBondContact O-CB 3.37Å
699S93.1Very high82.7Confident62 Ų6284.4 Ų84.443%0.43446%0.463SS..EExtended strand (participates in β ladder)trans-133.6138.2173.356.10000109.5D701 A721 G722S699-D701 PolarHBondContact O-N 3.23Å; S699-A721 CarbonylContact O-C 3.54Å; S699-A721 WeakPolarHBondContact O-CA 3.46Å; S699-G722 PolarHBondContact N-O 3.07Å; S699-G722 PolarHBondContact O-N 2.93Å
700F92.8Very high84.9Confident31 Ų3176.9 Ų76.914%0.13644%0.44CS..EExtended strand (participates in β ladder)trans-83.6100.2173.6-78.5-73.9000110.8I702 L703 V719 K720 A721 A773 A775 A782 A784F700-I702 PolarHBondContact O-N 3.29Å; F700-L703 HydrophobicContact CB-CD2 3.69Å; F700-L703 HydrophobicContact CG-CD2 4.45Å; F700-V719 HydrophobicContact CD1-CB 3.85Å; F700-V719 HydrophobicContact CD1-CG1 4.33Å; F700-V719 HydrophobicContact CD1-CG2 4.39Å; F700-V719 HydrophobicContact CE1-CB 3.73Å; F700-V719 HydrophobicContact CE1-CG1 4.2Å; F700-V719 HydrophobicContact CE1-CG2 3.78Å; F700-K720 CarbonylContact C-O 3.51Å; F700-K720 WeakPolarHBondContact CA-O 3.32Å; F700-A721 HydrophobicContact CD1-CB 4.05Å; F700-A721 HydrophobicContact CE1-CB 4.03Å; F700-A773 HydrophobicContact CE1-CB 4.11Å; F700-A773 HydrophobicContact CZ-CB 3.85Å; F700-A775 HydrophobicContact CE1-CB 4.16Å; F700-A775 HydrophobicContact CE2-CB 4Å; F700-A775 HydrophobicContact CZ-CB 3.65Å; F700-A782 HydrophobicContact CD2-CB 4.22Å; F700-A782 HydrophobicContact CE2-CB 4.25Å; F700-A784 HydrophobicContact CD2-CB 3.64Å; F700-A784 HydrophobicContact CE2-CB 3.85Å; F700-A784 HydrophobicContact CG-CB 4Å; F700-A784 HydrophobicContact CZ-CB 4.39Å
701D90Very high87Confident78 Ų7871.1 Ų71.142%0.41741%0.409SS..EExtended strand (participates in β ladder)trans-64.4-32.5172.9-41.6-14.8000111.3S699 K720 G722S699-D701 PolarHBondContact O-N 3.23Å; D701-K720 HydrophobicContact CB-CB 4.33Å; D701-K720 HydrophobicContact CB-CD 4.07Å; D701-K720 HydrophobicContact CB-CG 4.26Å; D701-K720 PolarHBondContact N-O 3.05Å; D701-K720 WeakPolarHBondContact OD2-CD 3.47Å; D701-K720 WeakPolarHBondContact OD2-CE 3.38Å; D701-K720 IonicContact OD2-NZ 3.57Å; D701-K720 PolarHBondContact OD2-NZ 2.98Å; D701-G722 PolarHBondContact OD1-N 3.29Å; D701-G722 VanDerWaalsContact OD1-N 3.09Å; D701-G722 PolarHBondContact OD2-N 3.02Å
702I92.5Very high88.4Confident64 Ų6464 Ų6433%0.32838%0.381SS..EExtended strand (participates in β ladder)trans-129.9121.3173.8-53.8174.6000108.1F700 L718 V719 K720 I755F700-I702 PolarHBondContact O-N 3.29Å; I702-L718 HydrophobicContact CG2-CD1 3.52Å; I702-V719 WeakPolarHBondContact O-CA 3.46Å; I702-K720 HydrophobicContact CB-CB 3.87Å; I702-K720 HydrophobicContact CD1-CB 3.85Å; I702-K720 HydrophobicContact CD1-CD 4.26Å; I702-K720 HydrophobicContact CG1-CB 3.8Å; I702-K720 HydrophobicContact CG1-CD 4.49Å; I702-K720 PolarHBondContact N-O 2.71Å; I702-K720 PolarHBondContact O-N 2.64Å; I702-K720 VanDerWaalsContact O-N 3.15Å; I702-I755 HydrophobicContact CD1-CD1 4.41Å
703L94Very high89.8Confident109 Ų10958.8 Ų58.857%0.57136%0.361SS*.PPolyproline II helixtrans-88.5152.3178.4-65.5169.9000111.2F700 V705 A784F700-L703 HydrophobicContact CB-CD2 3.69Å; F700-L703 HydrophobicContact CG-CD2 4.45Å; L703-V705 PolarHBondContact O-N 3.43Å; L703-A784 HydrophobicContact CD2-CB 3.63Å
704P93.2Very high90.9Very high10 Ų1057 Ų577%0.06536%0.36CS..PPolyproline II helixtrans-77.5121.3179.332.1-30.5000110.3F717 L718 V719 W731 A784 T786P704-F717 HydrophobicContact CB-CD1 4.48Å; P704-L718 WeakPolarHBondContact CA-O 3.48Å; P704-V719 HydrophobicContact CB-CG1 3.68Å; P704-V719 HydrophobicContact CG-CG1 3.83Å; P704-W731 HydrophobicContact CB-CH2 4.49Å; P704-W731 HydrophobicContact CB-CZ3 4.49Å; P704-A784 HydrophobicContact CG-CB 4.07Å; P704-T786 HydrophobicContact CB-CG2 3.76Å; P704-T786 HydrophobicContact CG-CG2 3.96Å; P704-T786 VanDerWaalsContact O-CB 3.27Å; P704-T786 WeakPolarHBondContact O-CB 3.29Å; P704-T786 PolarHBondContact O-OG1 2.91Å
705V93.9Very high91.5Very high109 Ų10952.2 Ų52.266%0.66133%0.329SS*.PPolyproline II helixtrans-72.7147.9179.4-174.10000110.4L703 F717 T786L703-V705 PolarHBondContact O-N 3.43Å; V705-F717 WeakPolarHBondContact O-CD1 3.39Å; V705-F717 VanDerWaalsContact O-CE1 3.23Å; V705-F717 WeakPolarHBondContact O-CE1 3.47Å; V705-T786 VanDerWaalsContact C-OG1 3.31Å; V705-T786 PolarHBondContact O-OG1 3.24Å
706A94.3Very high91.9Very high58 Ų5853.1 Ų53.148%0.47933%0.325SS..PPolyproline II helixtrans-75.4141.1173.400000110.6T786 I787A706-T786 WeakPolarHBondContact CA-OG1 3.38Å; A706-T786 WeakPolarHBondContact CB-OG1 3.44Å; A706-T786 PolarHBondContact N-OG1 2.68Å; A706-T786 VanDerWaalsContact N-OG1 3.1Å; A706-I787 WeakPolarHBondContact CA-O 3.14Å; A706-I787 HydrophobicContact CB-CG1 3.97Å
707V93.3Very high92.2Very high37 Ų3750.7 Ų50.722%0.22431%0.308CS..EExtended strand (participates in β ladder)trans-131.6131.1-173.6-168.90000110.2V709 F717 I787 L788 I789V707-V709 HydrophobicContact CG1-CG1 3.9Å; V707-F717 HydrophobicContact CB-CE1 4.22Å; V707-F717 HydrophobicContact CB-CZ 3.98Å; V707-F717 HydrophobicContact CG2-CD1 4.3Å; V707-F717 HydrophobicContact CG2-CE1 3.66Å; V707-F717 HydrophobicContact CG2-CZ 3.82Å; V707-I787 PolarHBondContact N-O 2.86Å; V707-I787 VanDerWaalsContact N-O 3.09Å; V707-L788 HydrophobicContact CB-CD1 4.23Å; V707-L788 CarbonylContact O-C 3.51Å; V707-L788 WeakPolarHBondContact O-CA 3.22Å; V707-I789 PolarHBondContact O-N 3.31Å
708T94.3Very high92.4Very high76 Ų7651.2 Ų51.247%0.46630%0.303SS..EExtended strand (participates in β ladder)trans-105.8132.6167.5-54.90000109.1I789 E791T708-I789 CarbonylContact C-O 3.58Å; T708-I789 WeakPolarHBondContact CA-O 3.45Å; T708-I789 HydrophobicContact CG2-CB 4.12Å; T708-I789 HydrophobicContact CG2-CG2 4.17Å; T708-E791 HydrophobicContact CG2-CG 3.78Å
709V92.5Very high92.5Very high22 Ų2250.7 Ų50.713%0.13330%0.299CS..EExtended strand (participates in β ladder)trans-143.3156.9178.9-68.60000110.6V707 A715 V763 L788 I789 I790 E791V707-V709 HydrophobicContact CG1-CG1 3.9Å; V709-A715 HydrophobicContact CG1-CB 4.2Å; V709-A715 HydrophobicContact CG2-CB 4.36Å; V709-V763 HydrophobicContact CG2-CB 4.4Å; V709-V763 HydrophobicContact CG2-CG1 3.9Å; V709-V763 HydrophobicContact CG2-CG2 3.81Å; V709-L788 HydrophobicContact CG2-CD1 3.76Å; V709-I789 PolarHBondContact N-O 2.92Å; V709-I790 HydrophobicContact CG2-CG1 4.44Å; V709-I790 CarbonylContact O-C 3.43Å; V709-I790 WeakPolarHBondContact O-CA 3.46Å; V709-E791 PolarHBondContact O-N 3.12Å
710T90.3Very high92.5Very high58 Ų5851.9 Ų51.936%0.35630%0.297SS..EExtended strand (participates in β ladder)trans-78152.616653.50000111.8G712 S713 V763 E791T710-G712 PolarHBondContact O-N 3.36Å; T710-S713 WeakPolarHBondContact O-CB 3.32Å; T710-S713 PolarHBondContact O-N 2.92Å; T710-S713 VanDerWaalsContact O-N 3.14Å; T710-S713 PolarHBondContact O-OG 3.33Å; T710-S713 PolarHBondContact OG1-OG 3.36Å; T710-V763 WeakPolarHBondContact O-CG2 3.4Å; T710-E791 CarbonylContact C-O 3.6Å; T710-E791 WeakPolarHBondContact CA-O 3.45Å
711E89.5Confident92.4Very high36 Ų3651 Ų5117%0.16830%0.296CS..THydrogen-bonded Turntrans-44134.6169.2179.2171.9-171.400112.6S713 P766 I790 E791 Q793E711-S713 PolarHBondContact O-N 3.35Å; E711-P766 HydrophobicContact CB-CG 4.33Å; E711-P766 WeakPolarHBondContact OE2-CG 3.47Å; E711-I790 HydrophobicContact CB-CG2 4.34Å; E711-E791 PolarHBondContact N-O 3.1Å; E711-Q793 HydrophobicContact CB-CB 4.15Å
712G85.5Confident92.4Very high21 Ų2148.2 Ų48.222%0.21629%0.285CS..THydrogen-bonded Turntrans78.3-9.418000000116.3T710 R762 V763T710-G712 PolarHBondContact O-N 3.36Å; G712-R762 PolarHBondContact O-NH1 2.87Å; G712-V763 WeakPolarHBondContact CA-O 3.28Å; G712-V763 PolarHBondContact N-O 3.37Å; G712-V763 VanDerWaalsContact N-O 3.1Å
713S90.1Very high92.1Very high35 Ų3546 Ų4625%0.24528%0.277CS..  trans-74.3156.5172.8-61.70000112T710 E711 V763T710-S713 WeakPolarHBondContact O-CB 3.32Å; T710-S713 PolarHBondContact O-N 2.92Å; T710-S713 VanDerWaalsContact O-N 3.14Å; T710-S713 PolarHBondContact O-OG 3.33Å; T710-S713 PolarHBondContact OG1-OG 3.36Å; E711-S713 PolarHBondContact O-N 3.35Å; S713-V763 WeakPolarHBondContact O-CG2 3.23Å; S713-V763 PolarHBondContact O-N 3.03Å
714P92.2Very high91.8Very high86 Ų8644.1 Ų44.156%0.55826%0.263SS*.  trans-75.2153.5170.731.8-34.9000111.5F760P714-F760 CarbonylContact C-O 3.49Å; P714-F760 WeakPolarHBondContact CA-O 3.27Å; P714-F760 WeakPolarHBondContact CB-O 3.43Å
715A92.8Very high91.5Very high5 Ų546.1 Ų46.14%0.04128%0.276CS..EExtended strand (participates in β ladder)trans-139.8141.5173.600000110.4V709 F717 F760 V763 L788V709-A715 HydrophobicContact CG1-CB 4.2Å; V709-A715 HydrophobicContact CG2-CB 4.36Å; A715-F717 HydrophobicContact CB-CE2 4.46Å; A715-F760 HydrophobicContact CB-CB 4.31Å; A715-F760 HydrophobicContact CB-CD2 4.16Å; A715-F760 PolarHBondContact N-O 2.94Å; A715-F760 PolarHBondContact O-N 2.87Å; A715-V763 HydrophobicContact CB-CG1 3.71Å; A715-L788 HydrophobicContact CB-CD1 3.7Å; A715-L788 HydrophobicContact CB-CD2 4.31Å
716K93.2Very high91.2Very high99 Ų9948.2 Ų48.243%0.4328%0.277SS..EExtended strand (participates in β ladder)trans-134.6130.5-176.1-170.7-179.8179.5-169.70112N757 E759K716-N757 WeakPolarHBondContact CE-OD1 2.99Å; K716-N757 PolarHBondContact NZ-OD1 3.04Å; K716-E759 HydrophobicContact CG-CB 4.3Å; K716-E759 HydrophobicContact CG-CG 4.43Å
717F95Very high91Very high2 Ų245.8 Ų45.81%0.00926%0.256CS..EExtended strand (participates in β ladder)trans-115.3144.3172.9-61-87.9000109.2P704 V705 V707 A715 W731 N757 L758 F760 I771 T786 L788P704-F717 HydrophobicContact CB-CD1 4.48Å; V705-F717 WeakPolarHBondContact O-CD1 3.39Å; V705-F717 VanDerWaalsContact O-CE1 3.23Å; V705-F717 WeakPolarHBondContact O-CE1 3.47Å; V707-F717 HydrophobicContact CB-CE1 4.22Å; V707-F717 HydrophobicContact CB-CZ 3.98Å; V707-F717 HydrophobicContact CG2-CD1 4.3Å; V707-F717 HydrophobicContact CG2-CE1 3.66Å; V707-F717 HydrophobicContact CG2-CZ 3.82Å; A715-F717 HydrophobicContact CB-CE2 4.46Å; F717-W731 HydrophobicContact CB-CH2 3.6Å; F717-W731 HydrophobicContact CB-CZ3 3.76Å; F717-N757 WeakPolarHBondContact O-CA 3.39Å; F717-L758 HydrophobicContact CB-CB 4.37Å; F717-L758 PolarHBondContact N-O 3.44Å; F717-L758 PolarHBondContact O-N 3.31Å; F717-F760 HydrophobicContact CD2-CD2 4.37Å; F717-F760 AromaticContact CD2-CE2 3.96Å; F717-F760 HydrophobicContact CD2-CE2 3.96Å; F717-F760 HydrophobicContact CE2-CD2 4.23Å; F717-F760 AromaticContact CE2-CE2 3.82Å; F717-F760 HydrophobicContact CE2-CE2 3.82Å; F717-I771 HydrophobicContact CD1-CG2 4.4Å; F717-I771 HydrophobicContact CD2-CG1 4.45Å; F717-I771 HydrophobicContact CD2-CG2 4.37Å; F717-I771 HydrophobicContact CE1-CG1 4.32Å; F717-I771 HydrophobicContact CE2-CG1 4.06Å; F717-I771 HydrophobicContact CG-CG2 4.19Å; F717-I771 HydrophobicContact CZ-CG1 4.01Å; F717-T786 HydrophobicContact CD1-CG2 3.63Å; F717-T786 HydrophobicContact CE1-CG2 3.61Å; F717-L788 HydrophobicContact CE2-CB 4.14Å; F717-L788 HydrophobicContact CE2-CD1 4.15Å; F717-L788 HydrophobicContact CE2-CD2 4.18Å; F717-L788 HydrophobicContact CE2-CG 4.38Å; F717-L788 HydrophobicContact CZ-CB 3.69Å; F717-L788 HydrophobicContact CZ-CD1 3.92Å; F717-L788 HydrophobicContact CZ-CG 4.24Å
718L94.7Very high90.9Very high67 Ų6751.5 Ų51.535%0.35128%0.278SS..EExtended strand (participates in β ladder)trans-138.5144.8179.161.888.8000109.8I702 P704 I755 S756I702-L718 HydrophobicContact CG2-CD1 3.52Å; P704-L718 WeakPolarHBondContact CA-O 3.48Å; L718-I755 HydrophobicContact CB-CG2 4Å; L718-I755 HydrophobicContact CD1-CG2 4.47Å; L718-S756 WeakPolarHBondContact CA-O 3.06Å
719V94.6Very high90.8Very high0 Ų048.8 Ų48.80%026%0.26CS..EExtended strand (participates in β ladder)trans-144.9144.6174.7-64.70000110.6F700 I702 P704 I729 W731 I755 S756 A773F700-V719 HydrophobicContact CD1-CB 3.85Å; F700-V719 HydrophobicContact CD1-CG1 4.33Å; F700-V719 HydrophobicContact CD1-CG2 4.39Å; F700-V719 HydrophobicContact CE1-CB 3.73Å; F700-V719 HydrophobicContact CE1-CG1 4.2Å; F700-V719 HydrophobicContact CE1-CG2 3.78Å; I702-V719 WeakPolarHBondContact O-CA 3.46Å; P704-V719 HydrophobicContact CB-CG1 3.68Å; P704-V719 HydrophobicContact CG-CG1 3.83Å; V719-I729 HydrophobicContact CG2-CD1 4.33Å; V719-I729 HydrophobicContact CG2-CG2 3.91Å; V719-W731 HydrophobicContact CB-CZ2 4.49Å; V719-W731 HydrophobicContact CG1-CH2 3.84Å; V719-W731 HydrophobicContact CG1-CZ2 4.28Å; V719-W731 HydrophobicContact CG2-CH2 4.07Å; V719-W731 HydrophobicContact CG2-CZ2 3.65Å; V719-I755 CarbonylContact O-C 3.54Å; V719-I755 WeakPolarHBondContact O-CA 3.28Å; V719-I755 WeakPolarHBondContact O-CG2 3.36Å; V719-S756 PolarHBondContact N-O 3.44Å; V719-S756 PolarHBondContact O-N 2.97Å; V719-A773 HydrophobicContact CB-CB 4.44Å; V719-A773 HydrophobicContact CG1-CB 3.82Å; V719-A773 HydrophobicContact CG2-CB 3.97Å
720K94Very high90.8Very high86 Ų8650.9 Ų50.937%0.37427%0.267SS..EExtended strand (participates in β ladder)trans-119.6130.8169.7-175.4-173.2171.4-157.80107.7F700 D701 I702 I755F700-K720 CarbonylContact C-O 3.51Å; F700-K720 WeakPolarHBondContact CA-O 3.32Å; D701-K720 HydrophobicContact CB-CB 4.33Å; D701-K720 HydrophobicContact CB-CD 4.07Å; D701-K720 HydrophobicContact CB-CG 4.26Å; D701-K720 PolarHBondContact N-O 3.05Å; D701-K720 WeakPolarHBondContact OD2-CD 3.47Å; D701-K720 WeakPolarHBondContact OD2-CE 3.38Å; D701-K720 IonicContact OD2-NZ 3.57Å; D701-K720 PolarHBondContact OD2-NZ 2.98Å; I702-K720 HydrophobicContact CB-CB 3.87Å; I702-K720 HydrophobicContact CD1-CB 3.85Å; I702-K720 HydrophobicContact CD1-CD 4.26Å; I702-K720 HydrophobicContact CG1-CB 3.8Å; I702-K720 HydrophobicContact CG1-CD 4.49Å; I702-K720 PolarHBondContact N-O 2.71Å; I702-K720 PolarHBondContact O-N 2.64Å; I702-K720 VanDerWaalsContact O-N 3.15Å; K720-I755 HydrophobicContact CB-CG1 4.29Å; K720-I755 HydrophobicContact CG-CG1 4.49Å
721A90.6Very high90.9Very high14 Ų1448.2 Ų48.212%0.11625%0.251CS..EExtended strand (participates in β ladder)trans-119.5113.2176.400000111S699 F700 P727 I729 A775S699-A721 CarbonylContact O-C 3.54Å; S699-A721 WeakPolarHBondContact O-CA 3.46Å; F700-A721 HydrophobicContact CD1-CB 4.05Å; F700-A721 HydrophobicContact CE1-CB 4.03Å; A721-P727 HydrophobicContact CB-CG 3.79Å; A721-I729 HydrophobicContact CB-CD1 4Å; A721-I729 HydrophobicContact CB-CG1 4.13Å; A721-A775 HydrophobicContact CB-CB 3.6Å
722G89.1Confident91.1Very high19 Ų1948.3 Ų48.320%0.19625%0.25CC..EExtended strand (participates in β ladder)trans-73172.2161.900000111.6P698 S699 D701P698-G722 VanDerWaalsContact CA-O 3.28Å; P698-G722 WeakPolarHBondContact CA-O 3.27Å; S699-G722 PolarHBondContact N-O 3.07Å; S699-G722 PolarHBondContact O-N 2.93Å; D701-G722 PolarHBondContact OD1-N 3.29Å; D701-G722 VanDerWaalsContact OD1-N 3.09Å; D701-G722 PolarHBondContact OD2-N 3.02Å
723G87.5Confident91.3Very high16 Ų1648.3 Ų48.317%0.16525%0.245CC..EExtended strand (participates in β ladder)trans128.8144.6-176.900000112.3P725 K726 P727G723-P725 CarbonylContact O-C 3.54Å; G723-K726 WeakPolarHBondContact O-CA 3.21Å; G723-K726 PolarHBondContact O-N 3.45Å; G723-P727 VanDerWaalsContact O-CD 3.31Å; G723-P727 WeakPolarHBondContact O-CD 3.33Å
724Y86.5Confident91.3Very high71 Ų7151.3 Ų51.328%0.27826%0.258SS..EExtended strand (participates in β ladder)trans-126.8127.1-179.2-166-86.5000111.1E692 E693 P695 C696E692-Y724 HydrophobicContact CB-CE1 4.18Å; E693-Y724 HydrophobicContact CB-CD2 3.74Å; E693-Y724 HydrophobicContact CB-CE2 4.31Å; E693-Y724 HydrophobicContact CB-CG 3.84Å; E693-Y724 HydrophobicContact CG-CD2 4.32Å; E693-Y724 WeakPolarHBondContact O-CD1 3.46Å; P695-Y724 CarbonylContact C-O 3.46Å; P695-Y724 WeakPolarHBondContact CA-O 3.31Å; C696-Y724 PolarHBondContact N-O 2.8Å; C696-Y724 PolarHBondContact O-N 3.23Å; C696-Y724 VanDerWaalsContact O-N 3.11Å; C696-Y724 VanDerWaalsContact O-O 3.1Å; C696-Y724 PolarHBondContact SG-N 3.15Å
725P87.7Confident91Very high52 Ų5250.2 Ų50.234%0.33826%0.262SS..SBendcis-61.7153-3.4-23.134.9000113.2G723 N777G723-P725 CarbonylContact O-C 3.54Å; P725-N777 WeakPolarHBondContact O-CB 3.34Å; P725-N777 PolarHBondContact O-ND2 2.8Å
726K88.4Confident90.8Very high153 Ų15357.2 Ų57.267%0.66529%0.294SS*.PPolyproline II helixtrans-50.5121.3-174.4-175.6170.9-176.6171.50112.1G723G723-K726 WeakPolarHBondContact O-CA 3.21Å; G723-K726 PolarHBondContact O-N 3.45Å
727P90.3Very high90.5Very high7 Ų756.8 Ų56.85%0.04530%0.296CS..PPolyproline II helixtrans-74.3150.1-171.729.5-36.8000113.5P698 A721 G723 A775 R776 N777P698-P727 HydrophobicContact CB-CB 3.93Å; P698-P727 HydrophobicContact CB-CG 4.12Å; A721-P727 HydrophobicContact CB-CG 3.79Å; G723-P727 VanDerWaalsContact O-CD 3.31Å; G723-P727 WeakPolarHBondContact O-CD 3.33Å; P727-A775 HydrophobicContact CB-CB 4.16Å; P727-A775 HydrophobicContact CG-CB 4.44Å; P727-R776 CarbonylContact C-O 3.46Å; P727-R776 VanDerWaalsContact CA-O 3.29Å; P727-R776 WeakPolarHBondContact CA-O 3.47Å; P727-N777 HydrophobicContact CB-CB 4.16Å
728K90.2Very high90.1Very high157 Ų15757.3 Ų57.368%0.68330%0.299SS*.EExtended strand (participates in β ladder)trans-89.2130.7169.2-66.8-177.8179.1-1800109.2F730 A775 R776K728-F730 HydrophobicContact CB-CE2 3.85Å; K728-F730 HydrophobicContact CB-CZ 4.17Å; K728-A775 WeakPolarHBondContact O-CA 3.36Å; K728-R776 PolarHBondContact N-O 3.37Å; K728-R776 PolarHBondContact O-N 3.29Å
729I92.1Very high89.1Confident19 Ų1957 Ų5710%0.09731%0.306CS..EExtended strand (participates in β ladder)trans-100.5130.1-177.8-61.6161.9000109.1V719 A721 V774 A775V719-I729 HydrophobicContact CG2-CD1 4.33Å; V719-I729 HydrophobicContact CG2-CG2 3.91Å; A721-I729 HydrophobicContact CB-CD1 4Å; A721-I729 HydrophobicContact CB-CG1 4.13Å; I729-V774 CarbonylContact C-O 3.58Å; I729-V774 WeakPolarHBondContact CA-O 3.4Å; I729-A775 HydrophobicContact CG1-CB 4.34Å
730F92.2Very high87.9Confident65 Ų6560.7 Ų60.729%0.28533%0.332SS..EExtended strand (participates in β ladder)trans-119.7138.3177.4-59.7-90.7000109K728 Y732 L737 A773 V774 R776K728-F730 HydrophobicContact CB-CE2 3.85Å; K728-F730 HydrophobicContact CB-CZ 4.17Å; F730-Y732 HydrophobicContact CB-CE2 3.98Å; F730-L737 HydrophobicContact CB-CD1 3.97Å; F730-L737 HydrophobicContact CD1-CD1 4.23Å; F730-A773 CarbonylContact O-C 3.44Å; F730-A773 WeakPolarHBondContact O-CA 3.41Å; F730-V774 PolarHBondContact N-O 3.18Å; F730-V774 PolarHBondContact O-N 3.3Å; F730-R776 HydrophobicContact CE2-CB 4.26Å; F730-R776 HydrophobicContact CE2-CG 4.45Å
731W93.1Very high86.2Confident2 Ų261.6 Ų61.61%0.00835%0.349CS..EExtended strand (participates in β ladder)trans-109.8141.3178-69.390.9000111P704 F717 V719 I738 I749 S756 L758 I771 K772 A773P704-W731 HydrophobicContact CB-CH2 4.49Å; P704-W731 HydrophobicContact CB-CZ3 4.49Å; F717-W731 HydrophobicContact CB-CH2 3.6Å; F717-W731 HydrophobicContact CB-CZ3 3.76Å; V719-W731 HydrophobicContact CB-CZ2 4.49Å; V719-W731 HydrophobicContact CG1-CH2 3.84Å; V719-W731 HydrophobicContact CG1-CZ2 4.28Å; V719-W731 HydrophobicContact CG2-CH2 4.07Å; V719-W731 HydrophobicContact CG2-CZ2 3.65Å; W731-I738 HydrophobicContact CB-CD1 3.89Å; W731-I738 HydrophobicContact CB-CG1 3.86Å; W731-I738 VanDerWaalsContact O-CG1 3.23Å; W731-I738 WeakPolarHBondContact O-CG1 3.44Å; W731-I738 PolarHBondContact O-N 3Å; W731-I738 VanDerWaalsContact O-N 3.08Å; W731-I749 HydrophobicContact CB-CD1 4.03Å; W731-I749 HydrophobicContact CG-CD1 4.26Å; W731-S756 PolarHBondContact NE1-OG 3.12Å; W731-L758 HydrophobicContact CB-CD2 4.29Å; W731-L758 HydrophobicContact CD2-CB 3.65Å; W731-L758 HydrophobicContact CD2-CD2 3.89Å; W731-L758 HydrophobicContact CD2-CG 4.39Å; W731-L758 HydrophobicContact CE3-CB 3.87Å; W731-L758 HydrophobicContact CE3-CD2 3.55Å; W731-L758 HydrophobicContact CE3-CG 4.36Å; W731-L758 HydrophobicContact CG-CB 4.17Å; W731-L758 HydrophobicContact CG-CD2 4.25Å; W731-L758 HydrophobicContact CH2-CB 4Å; W731-L758 HydrophobicContact CZ2-CB 3.79Å; W731-L758 HydrophobicContact CZ3-CB 4.04Å; W731-L758 HydrophobicContact CZ3-CD2 4.09Å; W731-I771 HydrophobicContact CE3-CG2 3.79Å; W731-I771 HydrophobicContact CZ3-CG2 3.71Å; W731-K772 CarbonylContact C-O 3.59Å; W731-K772 WeakPolarHBondContact CA-O 3.33Å; W731-A773 HydrophobicContact CD2-CB 4.32Å; W731-A773 HydrophobicContact CE3-CB 4.03Å; W731-A773 HydrophobicContact CH2-CB 4.37Å; W731-A773 HydrophobicContact CZ3-CB 4.04Å
732Y92.9Very high84.3Confident38 Ų3864.7 Ų64.715%0.14938%0.383CS..EExtended strand (participates in β ladder)trans-127140.8176.8-59.1-110.3000109.6F730 E736 L737 K772 V774 R776F730-Y732 HydrophobicContact CB-CE2 3.98Å; Y732-E736 CarbonylContact C-O 3.48Å; Y732-E736 WeakPolarHBondContact CA-O 3.37Å; Y732-E736 WeakPolarHBondContact CB-O 3.49Å; Y732-L737 HydrophobicContact CD1-CB 3.85Å; Y732-L737 HydrophobicContact CD1-CD1 4.43Å; Y732-L737 HydrophobicContact CD2-CD1 4.42Å; Y732-L737 HydrophobicContact CE1-CB 3.69Å; Y732-L737 HydrophobicContact CE1-CD1 4.1Å; Y732-L737 HydrophobicContact CE1-CG 4.4Å; Y732-L737 HydrophobicContact CE2-CD1 4.06Å; Y732-K772 PolarHBondContact N-O 2.83Å; Y732-K772 PolarHBondContact O-N 3.05Å; Y732-V774 HydrophobicContact CD2-CG2 3.82Å; Y732-V774 HydrophobicContact CE2-CB 3.93Å; Y732-V774 HydrophobicContact CE2-CG2 3.51Å; Y732-R776 PolarHBondContact OH-NH1 2.7Å
733I90.8Very high82.2Confident21 Ų2165.6 Ų65.611%0.10839%0.391CS..EExtended strand (participates in β ladder)trans-118124.3172.2-57.1-179.4000107.3G735 E736 I738 W747 F760 L769 H770 I771I733-G735 PolarHBondContact O-N 2.93Å; I733-E736 PolarHBondContact N-O 3.44Å; I733-E736 PolarHBondContact O-N 2.93Å; I733-I738 HydrophobicContact CB-CG2 4.46Å; I733-I738 HydrophobicContact CD1-CD1 3.96Å; I733-I738 HydrophobicContact CD1-CG2 3.93Å; I733-I738 HydrophobicContact CG1-CD1 4.09Å; I733-I738 HydrophobicContact CG1-CG1 4.47Å; I733-I738 HydrophobicContact CG1-CG2 4.04Å; I733-W747 HydrophobicContact CD1-CD2 4.38Å; I733-W747 HydrophobicContact CD1-CE3 4.41Å; I733-F760 HydrophobicContact CD1-CE1 3.78Å; I733-F760 HydrophobicContact CD1-CZ 3.57Å; I733-F760 HydrophobicContact CG1-CZ 4.46Å; I733-L769 HydrophobicContact CG2-CB 4.21Å; I733-L769 HydrophobicContact CG2-CD1 4.26Å; I733-H770 CarbonylContact C-O 3.47Å; I733-H770 WeakPolarHBondContact CA-O 3.19Å; I733-I771 HydrophobicContact CB-CD1 4.47Å; I733-I771 HydrophobicContact CG1-CD1 3.97Å; I733-I771 HydrophobicContact CG2-CD1 4.14Å
734N89.8Confident80.5Confident98 Ų9868.5 Ų68.552%0.52442%0.422SS..THydrogen-bonded Turntrans5126.9-176.2-68-16.8000114.3L769 H770N734-L769 WeakPolarHBondContact ND2-CD2 3.36Å; N734-L769 WeakPolarHBondContact OD1-CA 3.3Å; N734-H770 PolarHBondContact N-O 3.16Å; N734-H770 PolarHBondContact OD1-N 3.3Å
735G86Confident79.1Confident63 Ų6366.8 Ų66.865%0.64943%0.425SS*.THydrogen-bonded Turntrans90.7-8.8-177.400000115.5I733I733-G735 PolarHBondContact O-N 2.93Å
736E87.5Confident78.7Confident152 Ų15268.1 Ų68.171%0.7143%0.43SS*.EExtended strand (participates in β ladder)trans-86.9132.1174.9-174.3169.2-168.100111.3Y732 I733 I738Y732-E736 CarbonylContact C-O 3.48Å; Y732-E736 WeakPolarHBondContact CA-O 3.37Å; Y732-E736 WeakPolarHBondContact CB-O 3.49Å; I733-E736 PolarHBondContact N-O 3.44Å; I733-E736 PolarHBondContact O-N 2.93Å; E736-I738 PolarHBondContact O-N 3.17Å
737L87.4Confident78.6Confident90 Ų9065.2 Ų65.247%0.47142%0.415SS..EExtended strand (participates in β ladder)trans-74.4113.4178.7174.163.3000110.2F730 Y732F730-L737 HydrophobicContact CB-CD1 3.97Å; F730-L737 HydrophobicContact CD1-CD1 4.23Å; Y732-L737 HydrophobicContact CD1-CB 3.85Å; Y732-L737 HydrophobicContact CD1-CD1 4.43Å; Y732-L737 HydrophobicContact CD2-CD1 4.42Å; Y732-L737 HydrophobicContact CE1-CB 3.69Å; Y732-L737 HydrophobicContact CE1-CD1 4.1Å; Y732-L737 HydrophobicContact CE1-CG 4.4Å; Y732-L737 HydrophobicContact CE2-CD1 4.06Å
738I86.2Confident78.4Confident14 Ų1470.1 Ų70.17%0.07243%0.432CS..  trans-82.8139.2177.750.3163.6000112.1W731 I733 E736 W747 I749 L758W731-I738 HydrophobicContact CB-CD1 3.89Å; W731-I738 HydrophobicContact CB-CG1 3.86Å; W731-I738 VanDerWaalsContact O-CG1 3.23Å; W731-I738 WeakPolarHBondContact O-CG1 3.44Å; W731-I738 PolarHBondContact O-N 3Å; W731-I738 VanDerWaalsContact O-N 3.08Å; I733-I738 HydrophobicContact CB-CG2 4.46Å; I733-I738 HydrophobicContact CD1-CD1 3.96Å; I733-I738 HydrophobicContact CD1-CG2 3.93Å; I733-I738 HydrophobicContact CG1-CD1 4.09Å; I733-I738 HydrophobicContact CG1-CG1 4.47Å; I733-I738 HydrophobicContact CG1-CG2 4.04Å; E736-I738 PolarHBondContact O-N 3.17Å; I738-W747 HydrophobicContact CG2-CZ2 3.89Å; I738-I749 HydrophobicContact CD1-CD1 3.71Å; I738-I749 HydrophobicContact CD1-CG1 4.26Å; I738-I749 HydrophobicContact CG1-CD1 3.93Å; I738-L758 HydrophobicContact CD1-CD1 3.52Å; I738-L758 HydrophobicContact CD1-CD2 4.04Å; I738-L758 HydrophobicContact CD1-CG 4.43Å
739A75.1Confident78.4Confident59 Ų5964.1 Ų64.149%0.48841%0.407SS..  trans-67.7132.618000000111.7S741A739-S741 PolarHBondContact O-N 3.39Å; A739-S741 VanDerWaalsContact O-N 3.08Å
740S67.9Low78.2Confident79 Ų7966 Ų6655%0.55242%0.415SS*.SBendtrans-67.9-4.8-179.4-46.90000115
741S58.3Low77.9Confident104 Ų10468.1 Ų68.173%0.72743%0.426SS*.SBendtrans-155144.1-179.2-179.50000110.5A739 G743A739-S741 PolarHBondContact O-N 3.39Å; A739-S741 VanDerWaalsContact O-N 3.08Å; S741-G743 VanDerWaalsContact C-N 3.28Å; S741-G743 PolarHBondContact O-N 2.83Å; S741-G743 VanDerWaalsContact O-N 3.12Å
742G51.3Low77.4Confident80 Ų8073 Ų7383%0.82545%0.452SS*.  trans66.711.8164.100000117.7G744G742-G744 PolarHBondContact O-N 2.91Å
743G45.6Very low76.5Confident37 Ų3774.9 Ų74.938%0.38148%0.483SS..  trans-71.539.4-169.200000118.2S741 G745S741-G743 VanDerWaalsContact C-N 3.28Å; S741-G743 PolarHBondContact O-N 2.83Å; S741-G743 VanDerWaalsContact O-N 3.12Å; G743-G745 VanDerWaalsContact C-N 3.26Å; G743-G745 PolarHBondContact O-N 3.26Å
744G51.9Low76.1Confident78 Ų7874.7 Ų74.780%0.80449%0.486SS*.SBendtrans71-25.5159.700000119.3G742G742-G744 PolarHBondContact O-N 2.91Å
745G57.1Low76.2Confident34 Ų3472.4 Ų72.435%0.35147%0.473SS..SBendtrans-166.8140.6-17700000115.9G743 W747G743-G745 VanDerWaalsContact C-N 3.26Å; G743-G745 PolarHBondContact O-N 3.26Å; G745-W747 VanDerWaalsContact C-N 3.25Å; G745-W747 VanDerWaalsContact O-CE3 3.27Å; G745-W747 PolarHBondContact O-N 3.02Å
746N79.2Confident76.5Confident81 Ų8169.6 Ų69.643%0.43344%0.444SS..SBendtrans56.1-33.7165.4-69.1-10.1000120.4F760 H761 R762N746-F760 CarbonylContact O-C 3.59Å; N746-F760 WeakPolarHBondContact O-CA 3.25Å; N746-H761 PolarHBondContact O-N 3.01Å; N746-H761 PolarHBondContact O-ND1 3.45Å; N746-H761 VanDerWaalsContact O-ND1 3.08Å; N746-R762 WeakPolarHBondContact CB-O 3.4Å
747W86.1Confident76.8Confident91 Ų9162.7 Ų62.735%0.34541%0.412SS..EExtended strand (participates in β ladder)trans-114158.6-17761.779.6000114.7I733 I738 G745 L758 E759 F760I733-W747 HydrophobicContact CD1-CD2 4.38Å; I733-W747 HydrophobicContact CD1-CE3 4.41Å; I738-W747 HydrophobicContact CG2-CZ2 3.89Å; G745-W747 VanDerWaalsContact C-N 3.25Å; G745-W747 VanDerWaalsContact O-CE3 3.27Å; G745-W747 PolarHBondContact O-N 3.02Å; W747-L758 HydrophobicContact CB-CD1 4.15Å; W747-E759 CarbonylContact C-O 3.6Å; W747-E759 VanDerWaalsContact CA-O 3.23Å; W747-E759 WeakPolarHBondContact CA-O 3.18Å; W747-F760 HydrophobicContact CB-CD1 4.02Å; W747-F760 HydrophobicContact CB-CE1 4.3Å; W747-F760 HydrophobicContact CB-CG 4.42Å; W747-F760 HydrophobicContact CE3-CD1 4.45Å; W747-F760 HydrophobicContact CE3-CE1 4.21Å
748R85.9Confident77Confident111 Ų11158.4 Ų58.442%0.41939%0.389SS..EExtended strand (participates in β ladder)trans-136.1150.8170.866.6177.7-163.9166.33.9111.5F750 E759R748-F750 HydrophobicContact CG-CD1 4.27Å; R748-F750 HydrophobicContact CG-CE1 4.44Å; R748-E759 HydrophobicContact CG-CB 3.9Å; R748-E759 IonicContact CZ-OE1 2.94Å; R748-E759 IonicContact CZ-OE2 3.82Å; R748-E759 VanDerWaalsContact CZ-OE2 3.23Å; R748-E759 PolarHBondContact N-O 3.42Å; R748-E759 VanDerWaalsContact NE-CD 3.3Å; R748-E759 IonicContact NE-OE1 3.49Å; R748-E759 IonicContact NE-OE2 3.94Å; R748-E759 PolarHBondContact NE-OE2 3.06Å; R748-E759 IonicContact NH2-OE1 3.73Å; R748-E759 PolarHBondContact NH2-OE1 2.91Å; R748-E759 IonicContact NH2-OE2 2.64Å; R748-E759 PolarHBondContact NH2-OE2 3.32Å; R748-E759 PolarHBondContact O-N 3.15Å
749I89.3Confident77.3Confident30 Ų3059.6 Ų59.615%0.15440%0.395CS..EExtended strand (participates in β ladder)trans-117.6136.5169-64.5163000108.4W731 I738 N757 L758W731-I749 HydrophobicContact CB-CD1 4.03Å; W731-I749 HydrophobicContact CG-CD1 4.26Å; I738-I749 HydrophobicContact CD1-CD1 3.71Å; I738-I749 HydrophobicContact CD1-CG1 4.26Å; I738-I749 HydrophobicContact CG1-CD1 3.93Å; I749-N757 VanDerWaalsContact CA-O 3.31Å; I749-N757 WeakPolarHBondContact CA-O 3.3Å; I749-L758 HydrophobicContact CG1-CD1 3.94Å
750F88.5Confident78Confident60 Ų6057.1 Ų57.126%0.26337%0.373SS..EExtended strand (participates in β ladder)trans-147.1165.3172.460.3-76.8000110.5R748 D752 N757 E759R748-F750 HydrophobicContact CG-CD1 4.27Å; R748-F750 HydrophobicContact CG-CE1 4.44Å; F750-D752 HydrophobicContact CD2-CB 4.42Å; F750-N757 HydrophobicContact CD1-CB 3.83Å; F750-N757 HydrophobicContact CD2-CB 4.03Å; F750-N757 HydrophobicContact CE1-CB 3.44Å; F750-N757 VanDerWaalsContact CE1-CB 3.44Å; F750-N757 HydrophobicContact CE2-CB 3.68Å; F750-N757 HydrophobicContact CG-CB 4.11Å; F750-N757 HydrophobicContact CZ-CB 3.37Å; F750-N757 PolarHBondContact N-O 3.3Å; F750-N757 VanDerWaalsContact N-O 3.08Å; F750-N757 PolarHBondContact O-N 3Å; F750-E759 HydrophobicContact CE1-CB 4.16Å; F750-E759 WeakPolarHBondContact CE1-OE2 3.38Å; F750-E759 WeakPolarHBondContact CZ-OE2 3.4Å
751Q86.7Confident78.9Confident109 Ų10958.2 Ų58.251%0.50937%0.369SS..EExtended strand (participates in β ladder)trans-128.3131.4178.3-164.9166.72000110.2G754 I755Q751-G754 PolarHBondContact NE2-O 3.26Å; Q751-I755 WeakPolarHBondContact CA-O 3.3Å; Q751-I755 WeakPolarHBondContact CG-O 3.3Å
752D81.8Confident80.3Confident103 Ų10360.9 Ų60.955%0.55136%0.363SS*.EExtended strand (participates in β ladder)trans-143.9125.6-167.8178.317.6000108.6F750 G754 I755F750-D752 HydrophobicContact CD2-CB 4.42Å; D752-G754 PolarHBondContact O-N 3.09Å; D752-I755 PolarHBondContact N-O 2.85Å; D752-I755 WeakPolarHBondContact O-CA 3.45Å; D752-I755 VanDerWaalsContact O-CB 3.28Å; D752-I755 WeakPolarHBondContact O-CB 3.32Å; D752-I755 PolarHBondContact O-N 3.42Å
753G74.7Confident82Confident78 Ų7857.3 Ų57.380%0.80433%0.325SS*.THydrogen-bonded Turntrans5612.6-173.600000115.8
754G82.3Confident83.9Confident17 Ų1757.2 Ų57.218%0.17532%0.324CS..THydrogen-bonded Turntrans91.4-14.9-168.300000114.9Q751 D752Q751-G754 PolarHBondContact NE2-O 3.26Å; D752-G754 PolarHBondContact O-N 3.09Å
755I91.8Very high85.5Confident50 Ų5058.7 Ų58.726%0.25632%0.318SS..EExtended strand (participates in β ladder)trans-71.5123.9170.7-48.6179.7000108.9I702 L718 V719 K720 Q751 D752 N757I702-I755 HydrophobicContact CD1-CD1 4.41Å; L718-I755 HydrophobicContact CB-CG2 4Å; L718-I755 HydrophobicContact CD1-CG2 4.47Å; V719-I755 CarbonylContact O-C 3.54Å; V719-I755 WeakPolarHBondContact O-CA 3.28Å; V719-I755 WeakPolarHBondContact O-CG2 3.36Å; K720-I755 HydrophobicContact CB-CG1 4.29Å; K720-I755 HydrophobicContact CG-CG1 4.49Å; Q751-I755 WeakPolarHBondContact CA-O 3.3Å; Q751-I755 WeakPolarHBondContact CG-O 3.3Å; D752-I755 PolarHBondContact N-O 2.85Å; D752-I755 WeakPolarHBondContact O-CA 3.45Å; D752-I755 VanDerWaalsContact O-CB 3.28Å; D752-I755 WeakPolarHBondContact O-CB 3.32Å; D752-I755 PolarHBondContact O-N 3.42Å; I755-N757 PolarHBondContact O-ND2 3.28Å
756S92.8Very high86.9Confident5 Ų559.8 Ų59.84%0.03532%0.319CS..EExtended strand (participates in β ladder)trans-84.8134.6167.7-172.80000109.7L718 V719 W731L718-S756 WeakPolarHBondContact CA-O 3.06Å; V719-S756 PolarHBondContact N-O 3.44Å; V719-S756 PolarHBondContact O-N 2.97Å; W731-S756 PolarHBondContact NE1-OG 3.12Å
757N92.9Very high87.4Confident6 Ų657.6 Ų57.63%0.03232%0.316CS..EExtended strand (participates in β ladder)trans-116.6133.2-179.3-66.2-105.7000108.5K716 F717 I749 F750 I755K716-N757 WeakPolarHBondContact CE-OD1 2.99Å; K716-N757 PolarHBondContact NZ-OD1 3.04Å; F717-N757 WeakPolarHBondContact O-CA 3.39Å; I749-N757 VanDerWaalsContact CA-O 3.31Å; I749-N757 WeakPolarHBondContact CA-O 3.3Å; F750-N757 HydrophobicContact CD1-CB 3.83Å; F750-N757 HydrophobicContact CD2-CB 4.03Å; F750-N757 HydrophobicContact CE1-CB 3.44Å; F750-N757 VanDerWaalsContact CE1-CB 3.44Å; F750-N757 HydrophobicContact CE2-CB 3.68Å; F750-N757 HydrophobicContact CG-CB 4.11Å; F750-N757 HydrophobicContact CZ-CB 3.37Å; F750-N757 PolarHBondContact N-O 3.3Å; F750-N757 VanDerWaalsContact N-O 3.08Å; F750-N757 PolarHBondContact O-N 3Å; I755-N757 PolarHBondContact O-ND2 3.28Å
758L92.5Very high87.6Confident0 Ų059 Ų590%033%0.326CS..EExtended strand (participates in β ladder)trans-114.8121165.8166.961.5000107.8F717 W731 I738 W747 I749 F760 I771F717-L758 HydrophobicContact CB-CB 4.37Å; F717-L758 PolarHBondContact N-O 3.44Å; F717-L758 PolarHBondContact O-N 3.31Å; W731-L758 HydrophobicContact CB-CD2 4.29Å; W731-L758 HydrophobicContact CD2-CB 3.65Å; W731-L758 HydrophobicContact CD2-CD2 3.89Å; W731-L758 HydrophobicContact CD2-CG 4.39Å; W731-L758 HydrophobicContact CE3-CB 3.87Å; W731-L758 HydrophobicContact CE3-CD2 3.55Å; W731-L758 HydrophobicContact CE3-CG 4.36Å; W731-L758 HydrophobicContact CG-CB 4.17Å; W731-L758 HydrophobicContact CG-CD2 4.25Å; W731-L758 HydrophobicContact CH2-CB 4Å; W731-L758 HydrophobicContact CZ2-CB 3.79Å; W731-L758 HydrophobicContact CZ3-CB 4.04Å; W731-L758 HydrophobicContact CZ3-CD2 4.09Å; I738-L758 HydrophobicContact CD1-CD1 3.52Å; I738-L758 HydrophobicContact CD1-CD2 4.04Å; I738-L758 HydrophobicContact CD1-CG 4.43Å; W747-L758 HydrophobicContact CB-CD1 4.15Å; I749-L758 HydrophobicContact CG1-CD1 3.94Å; L758-F760 HydrophobicContact CD2-CE2 4.23Å; L758-F760 HydrophobicContact CG-CE2 4.2Å; L758-I771 HydrophobicContact CD2-CG2 3.84Å
759E91.7Very high87.8Confident40 Ų4055.6 Ų55.619%0.18732%0.316CS..EExtended strand (participates in β ladder)trans-130.8121.1-172.3-177.4-176.6153.900110.5K716 W747 R748 F750K716-E759 HydrophobicContact CG-CB 4.3Å; K716-E759 HydrophobicContact CG-CG 4.43Å; W747-E759 CarbonylContact C-O 3.6Å; W747-E759 VanDerWaalsContact CA-O 3.23Å; W747-E759 WeakPolarHBondContact CA-O 3.18Å; R748-E759 HydrophobicContact CG-CB 3.9Å; R748-E759 IonicContact CZ-OE1 2.94Å; R748-E759 IonicContact CZ-OE2 3.82Å; R748-E759 VanDerWaalsContact CZ-OE2 3.23Å; R748-E759 PolarHBondContact N-O 3.42Å; R748-E759 VanDerWaalsContact NE-CD 3.3Å; R748-E759 IonicContact NE-OE1 3.49Å; R748-E759 IonicContact NE-OE2 3.94Å; R748-E759 PolarHBondContact NE-OE2 3.06Å; R748-E759 IonicContact NH2-OE1 3.73Å; R748-E759 PolarHBondContact NH2-OE1 2.91Å; R748-E759 IonicContact NH2-OE2 2.64Å; R748-E759 PolarHBondContact NH2-OE2 3.32Å; R748-E759 PolarHBondContact O-N 3.15Å; F750-E759 HydrophobicContact CE1-CB 4.16Å; F750-E759 WeakPolarHBondContact CE1-OE2 3.38Å; F750-E759 WeakPolarHBondContact CZ-OE2 3.4Å
760F90.6Very high88Confident7 Ų759.2 Ų59.23%0.03133%0.332CS..EExtended strand (participates in β ladder)trans-89.4118.9169.2-60-99.2000108.1P714 A715 F717 I733 N746 W747 L758 R762 V763 I771 L788P714-F760 CarbonylContact C-O 3.49Å; P714-F760 WeakPolarHBondContact CA-O 3.27Å; P714-F760 WeakPolarHBondContact CB-O 3.43Å; A715-F760 HydrophobicContact CB-CB 4.31Å; A715-F760 HydrophobicContact CB-CD2 4.16Å; A715-F760 PolarHBondContact N-O 2.94Å; A715-F760 PolarHBondContact O-N 2.87Å; F717-F760 HydrophobicContact CD2-CD2 4.37Å; F717-F760 AromaticContact CD2-CE2 3.96Å; F717-F760 HydrophobicContact CD2-CE2 3.96Å; F717-F760 HydrophobicContact CE2-CD2 4.23Å; F717-F760 AromaticContact CE2-CE2 3.82Å; F717-F760 HydrophobicContact CE2-CE2 3.82Å; I733-F760 HydrophobicContact CD1-CE1 3.78Å; I733-F760 HydrophobicContact CD1-CZ 3.57Å; I733-F760 HydrophobicContact CG1-CZ 4.46Å; N746-F760 CarbonylContact O-C 3.59Å; N746-F760 WeakPolarHBondContact O-CA 3.25Å; W747-F760 HydrophobicContact CB-CD1 4.02Å; W747-F760 HydrophobicContact CB-CE1 4.3Å; W747-F760 HydrophobicContact CB-CG 4.42Å; W747-F760 HydrophobicContact CE3-CD1 4.45Å; W747-F760 HydrophobicContact CE3-CE1 4.21Å; L758-F760 HydrophobicContact CD2-CE2 4.23Å; L758-F760 HydrophobicContact CG-CE2 4.2Å; F760-R762 VanDerWaalsContact C-N 3.33Å; F760-V763 HydrophobicContact CB-CG1 4.02Å; F760-V763 HydrophobicContact CG-CG1 4.33Å; F760-I771 HydrophobicContact CE2-CD1 4.26Å; F760-I771 HydrophobicContact CZ-CD1 3.94Å; F760-L788 HydrophobicContact CD2-CD2 4.15Å; F760-L788 HydrophobicContact CE1-CD2 4.46Å; F760-L788 HydrophobicContact CE2-CD2 3.86Å; F760-L788 HydrophobicContact CZ-CD2 4.02Å
761H85.8Confident88.3Confident101 Ų10156.4 Ų56.447%0.46832%0.32SS..SBendtrans-69.4-34.8175.2-5793.2000111.7N746N746-H761 PolarHBondContact O-N 3.01Å; N746-H761 PolarHBondContact O-ND1 3.45Å; N746-H761 VanDerWaalsContact O-ND1 3.08Å
762R87.2Confident88.7Confident160 Ų16054.5 Ų54.560%0.60431%0.31SS*.SBendtrans-146.1125.1170.4-65.7-174.4174.9-83.77.6107.7G712 N746 F760G712-R762 PolarHBondContact O-NH1 2.87Å; N746-R762 WeakPolarHBondContact CB-O 3.4Å; F760-R762 VanDerWaalsContact C-N 3.33Å
763V87.6Confident89.3Confident5 Ų549.6 Ų49.63%0.0328%0.284CS..  trans-72.2146.8169.1-59.70000110.3V709 T710 G712 S713 A715 F760 L788 I790V709-V763 HydrophobicContact CG2-CB 4.4Å; V709-V763 HydrophobicContact CG2-CG1 3.9Å; V709-V763 HydrophobicContact CG2-CG2 3.81Å; T710-V763 WeakPolarHBondContact O-CG2 3.4Å; G712-V763 WeakPolarHBondContact CA-O 3.28Å; G712-V763 PolarHBondContact N-O 3.37Å; G712-V763 VanDerWaalsContact N-O 3.1Å; S713-V763 WeakPolarHBondContact O-CG2 3.23Å; S713-V763 PolarHBondContact O-N 3.03Å; A715-V763 HydrophobicContact CB-CG1 3.71Å; F760-V763 HydrophobicContact CB-CG1 4.02Å; F760-V763 HydrophobicContact CG-CG1 4.33Å; V763-L788 HydrophobicContact CG1-CD2 3.96Å; V763-I790 HydrophobicContact CB-CD1 3.91Å; V763-I790 HydrophobicContact CB-CG1 4.13Å; V763-I790 HydrophobicContact CB-CG2 4.44Å; V763-I790 HydrophobicContact CG2-CD1 4.37Å; V763-I790 HydrophobicContact CG2-CG1 4.2Å; V763-I790 HydrophobicContact CG2-CG2 3.74Å
764G85.6Confident90.2Very high35 Ų3546 Ų4636%0.36125%0.246SC..  trans-85.1-140.4-179.300000112.9
765T85.4Confident90.8Very high110 Ų11045.1 Ų45.168%0.67524%0.237SC*.SBendtrans-54.8143.8-176.251.70000113.6I790T765-I790 WeakPolarHBondContact O-CD1 3.47Å
766P86.5Confident90.9Very high57 Ų5746.7 Ų46.737%0.3724%0.24SC..SBendtrans-55.5146.6173.7-27.537.3000114.1E711 I790 P792E711-P766 HydrophobicContact CB-CG 4.33Å; E711-P766 WeakPolarHBondContact OE2-CG 3.47Å; P766-I790 VanDerWaalsContact CA-O 3.28Å; P766-I790 WeakPolarHBondContact CA-O 3.47Å; P766-I790 WeakPolarHBondContact CB-O 3.23Å; P766-P792 HydrophobicContact CB-CB 4.21Å; P766-P792 HydrophobicContact CG-CB 3.85Å
767G88.6Confident90.8Very high35 Ų3547.6 Ų47.636%0.36124%0.244SC..EExtended strand (participates in β ladder)trans140.2-174.1-175.800000113.1I790G767-I790 PolarHBondContact N-O 3.22Å; G767-I790 PolarHBondContact O-N 2.87Å
768E91.7Very high90.7Very high119 Ų11954.6 Ų54.656%0.55628%0.282SS*.EExtended strand (participates in β ladder)trans-106.1123.3-179.6-62.4178.6178.700110.6L788 I789E768-L788 WeakPolarHBondContact CA-O 3.13Å; E768-I789 HydrophobicContact CG-CG1 4.45Å
769L90.3Very high90.5Very high40 Ų4059.2 Ų59.221%0.20930%0.304CS..EExtended strand (participates in β ladder)trans-106.4124.6171.6-51.1-176.4000110I733 N734 I771 I787 L788 I790I733-L769 HydrophobicContact CG2-CB 4.21Å; I733-L769 HydrophobicContact CG2-CD1 4.26Å; N734-L769 WeakPolarHBondContact ND2-CD2 3.36Å; N734-L769 WeakPolarHBondContact OD1-CA 3.3Å; L769-I771 HydrophobicContact CB-CD1 4.17Å; L769-I771 PolarHBondContact O-N 2.83Å; L769-I787 WeakPolarHBondContact O-CA 3.33Å; L769-L788 HydrophobicContact CB-CB 4.24Å; L769-L788 HydrophobicContact CD1-CD2 4.24Å; L769-L788 PolarHBondContact N-O 2.84Å; L769-L788 PolarHBondContact O-N 3.27Å; L769-I790 HydrophobicContact CD1-CD1 3.99Å; L769-I790 HydrophobicContact CG-CD1 4.17Å
770H93.3Very high90.5Very high106 Ų10658.6 Ų58.649%0.49131%0.309SS..EExtended strand (participates in β ladder)trans-81.3114.1174.7-7266.8000109.3I733 N734I733-H770 CarbonylContact C-O 3.47Å; I733-H770 WeakPolarHBondContact CA-O 3.19Å; N734-H770 PolarHBondContact N-O 3.16Å; N734-H770 PolarHBondContact OD1-N 3.3Å
771I94Very high90.6Very high1 Ų163.6 Ų63.61%0.00533%0.333CS..EExtended strand (participates in β ladder)trans-103.8122.4-177.4-51.9-58.3000108.8F717 W731 I733 L758 F760 L769 E785 T786 L788F717-I771 HydrophobicContact CD1-CG2 4.4Å; F717-I771 HydrophobicContact CD2-CG1 4.45Å; F717-I771 HydrophobicContact CD2-CG2 4.37Å; F717-I771 HydrophobicContact CE1-CG1 4.32Å; F717-I771 HydrophobicContact CE2-CG1 4.06Å; F717-I771 HydrophobicContact CG-CG2 4.19Å; F717-I771 HydrophobicContact CZ-CG1 4.01Å; W731-I771 HydrophobicContact CE3-CG2 3.79Å; W731-I771 HydrophobicContact CZ3-CG2 3.71Å; I733-I771 HydrophobicContact CB-CD1 4.47Å; I733-I771 HydrophobicContact CG1-CD1 3.97Å; I733-I771 HydrophobicContact CG2-CD1 4.14Å; L758-I771 HydrophobicContact CD2-CG2 3.84Å; F760-I771 HydrophobicContact CE2-CD1 4.26Å; F760-I771 HydrophobicContact CZ-CD1 3.94Å; L769-I771 HydrophobicContact CB-CD1 4.17Å; L769-I771 PolarHBondContact O-N 2.83Å; I771-E785 WeakPolarHBondContact O-CA 3.45Å; I771-T786 HydrophobicContact CB-CG2 3.91Å; I771-T786 HydrophobicContact CG2-CG2 4.4Å; I771-T786 PolarHBondContact N-O 3.34Å; I771-T786 PolarHBondContact O-N 3.45Å; I771-L788 HydrophobicContact CD1-CB 4.47Å; I771-L788 HydrophobicContact CG1-CB 4.1Å
772K94.6Very high91Very high70 Ų7059.8 Ų59.830%0.30432%0.319SS..EExtended strand (participates in β ladder)trans-127.3120.5-176.6171.1171.1-172.5152.30111.4W731 Y732 V774 A784 E785W731-K772 CarbonylContact C-O 3.59Å; W731-K772 WeakPolarHBondContact CA-O 3.33Å; Y732-K772 PolarHBondContact N-O 2.83Å; Y732-K772 PolarHBondContact O-N 3.05Å; K772-V774 HydrophobicContact CD-CG2 4.31Å; K772-V774 HydrophobicContact CG-CG2 3.91Å; K772-A784 CarbonylContact C-O 3.53Å; K772-A784 WeakPolarHBondContact CA-O 3.34Å; K772-E785 HydrophobicContact CB-CG 4.01Å; K772-E785 HydrophobicContact CD-CG 3.92Å; K772-E785 WeakPolarHBondContact CD-OE1 3.39Å; K772-E785 WeakPolarHBondContact CE-OE1 3.3Å; K772-E785 HydrophobicContact CG-CG 3.81Å; K772-E785 IonicContact NZ-OE1 3.76Å; K772-E785 PolarHBondContact NZ-OE1 2.94Å
773A94.8Very high91.4Very high0 Ų054.7 Ų54.70%031%0.31CS..EExtended strand (participates in β ladder)trans-94.9138.516900000110F700 V719 F730 W731 A783 A784F700-A773 HydrophobicContact CE1-CB 4.11Å; F700-A773 HydrophobicContact CZ-CB 3.85Å; V719-A773 HydrophobicContact CB-CB 4.44Å; V719-A773 HydrophobicContact CG1-CB 3.82Å; V719-A773 HydrophobicContact CG2-CB 3.97Å; F730-A773 CarbonylContact O-C 3.44Å; F730-A773 WeakPolarHBondContact O-CA 3.41Å; W731-A773 HydrophobicContact CD2-CB 4.32Å; W731-A773 HydrophobicContact CE3-CB 4.03Å; W731-A773 HydrophobicContact CH2-CB 4.37Å; W731-A773 HydrophobicContact CZ3-CB 4.04Å; A773-A783 CarbonylContact O-C 3.58Å; A773-A783 WeakPolarHBondContact O-CA 3.42Å; A773-A784 PolarHBondContact N-O 3.17Å; A773-A784 PolarHBondContact O-N 2.8Å
774V94.6Very high91.7Very high1 Ų154.8 Ų54.81%0.00631%0.312CS..EExtended strand (participates in β ladder)trans-131.9117.4178.8-177.50000109.5I729 F730 Y732 K772 R776 E781 A782 A783I729-V774 CarbonylContact C-O 3.58Å; I729-V774 WeakPolarHBondContact CA-O 3.4Å; F730-V774 PolarHBondContact N-O 3.18Å; F730-V774 PolarHBondContact O-N 3.3Å; Y732-V774 HydrophobicContact CD2-CG2 3.82Å; Y732-V774 HydrophobicContact CE2-CB 3.93Å; Y732-V774 HydrophobicContact CE2-CG2 3.51Å; K772-V774 HydrophobicContact CD-CG2 4.31Å; K772-V774 HydrophobicContact CG-CG2 3.91Å; V774-R776 HydrophobicContact CG1-CG 4.15Å; V774-E781 HydrophobicContact CG1-CG 3.64Å; V774-E781 WeakPolarHBondContact CG1-OE1 3.38Å; V774-A782 CarbonylContact C-O 3.45Å; V774-A782 WeakPolarHBondContact CA-O 3.12Å; V774-A783 HydrophobicContact CG2-CB 4.32Å
775A94.8Very high92.1Very high0 Ų059.2 Ų59.20%032%0.323CS..EExtended strand (participates in β ladder)trans-98.4128.5176.400000109.5P698 F700 A721 P727 K728 I729 E781 A782P698-A775 HydrophobicContact CB-CB 3.8Å; P698-A775 HydrophobicContact CG-CB 4.46Å; P698-A775 VanDerWaalsContact CG-O 3.31Å; P698-A775 WeakPolarHBondContact CG-O 3.35Å; F700-A775 HydrophobicContact CE1-CB 4.16Å; F700-A775 HydrophobicContact CE2-CB 4Å; F700-A775 HydrophobicContact CZ-CB 3.65Å; A721-A775 HydrophobicContact CB-CB 3.6Å; P727-A775 HydrophobicContact CB-CB 4.16Å; P727-A775 HydrophobicContact CG-CB 4.44Å; K728-A775 WeakPolarHBondContact O-CA 3.36Å; I729-A775 HydrophobicContact CG1-CB 4.34Å; A775-E781 WeakPolarHBondContact O-CA 3.17Å; A775-A782 PolarHBondContact N-O 2.59Å; A775-A782 PolarHBondContact O-N 3.49Å
776R92.7Very high92.6Very high83 Ų8354.9 Ų54.931%0.31330%0.297SS..EExtended strand (participates in β ladder)trans-128.7132.2-179-69.8176.1170.1126.511.8111.6P727 K728 F730 Y732 V774 E781P727-R776 CarbonylContact C-O 3.46Å; P727-R776 VanDerWaalsContact CA-O 3.29Å; P727-R776 WeakPolarHBondContact CA-O 3.47Å; K728-R776 PolarHBondContact N-O 3.37Å; K728-R776 PolarHBondContact O-N 3.29Å; F730-R776 HydrophobicContact CE2-CB 4.26Å; F730-R776 HydrophobicContact CE2-CG 4.45Å; Y732-R776 PolarHBondContact OH-NH1 2.7Å; V774-R776 HydrophobicContact CG1-CG 4.15Å; R776-E781 HydrophobicContact CG-CB 4.16Å; R776-E781 HydrophobicContact CG-CG 3.85Å; R776-E781 IonicContact CZ-OE1 2.77Å; R776-E781 IonicContact CZ-OE2 3.23Å; R776-E781 IonicContact NE-OE1 2.67Å; R776-E781 IonicContact NE-OE2 2.72Å; R776-E781 PolarHBondContact NE-OE2 2.94Å; R776-E781 VanDerWaalsContact NH2-CD 3.27Å; R776-E781 IonicContact NH2-OE1 2.99Å; R776-E781 PolarHBondContact NH2-OE1 3.02Å; R776-E781 IonicContact NH2-OE2 2.92Å; R776-E781 PolarHBondContact NH2-OE2 3.34Å; R776-E781 VanDerWaalsContact NH2-OE2 3.16Å
777N91Very high93Very high23 Ų2354.9 Ų54.912%0.12329%0.293CS..EExtended strand (participates in β ladder)trans-137.1-173.1163.175.58.2000110.5C696 P698 P725 P727 M779 G780C696-N777 PolarHBondContact O-ND2 3.39Å; P698-N777 WeakPolarHBondContact CD-OD1 3.49Å; P725-N777 WeakPolarHBondContact O-CB 3.34Å; P725-N777 PolarHBondContact O-ND2 2.8Å; P727-N777 HydrophobicContact CB-CB 4.16Å; N777-M779 PolarHBondContact O-N 3.05Å; N777-M779 WeakPolarHBondContact OD1-CA 3.3Å; N777-M779 WeakPolarHBondContact OD1-CB 3.25Å; N777-M779 PolarHBondContact OD1-N 3.02Å; N777-G780 PolarHBondContact N-O 3.44Å; N777-G780 PolarHBondContact O-N 2.86Å; N777-G780 VanDerWaalsContact O-O 3.12Å; N777-G780 PolarHBondContact OD1-N 3.46Å
778N91.2Very high93.2Very high153 Ų15353.2 Ų53.282%0.81828%0.275SS*.THydrogen-bonded Turntrans-70.1-15.6-177.8-59.85.9000113.4
779M89.1Confident93.3Very high97 Ų9749.9 Ų49.948%0.47826%0.261SS..THydrogen-bonded Turntrans-97.7-14.8-178.4-59.1-57-63.900113P695 A697 N777P695-M779 HydrophobicContact CB-CE 3.92Å; P695-M779 HydrophobicContact CB-CG 3.86Å; P695-M779 HydrophobicContact CB-SD 3.69Å; A697-M779 HydrophobicContact CB-CB 4.43Å; N777-M779 PolarHBondContact O-N 3.05Å; N777-M779 WeakPolarHBondContact OD1-CA 3.3Å; N777-M779 WeakPolarHBondContact OD1-CB 3.25Å; N777-M779 PolarHBondContact OD1-N 3.02Å
780G90.5Very high93.5Very high28 Ų2848.3 Ų48.329%0.28925%0.253SS..EExtended strand (participates in β ladder)trans167.2-171174.900000115.8P698 N777P698-G780 VanDerWaalsContact CD-C 3.44Å; P698-G780 WeakPolarHBondContact CD-O 3.44Å; P698-G780 WeakPolarHBondContact CG-O 3.36Å; N777-G780 PolarHBondContact N-O 3.44Å; N777-G780 PolarHBondContact O-N 2.86Å; N777-G780 VanDerWaalsContact O-O 3.12Å; N777-G780 PolarHBondContact OD1-N 3.46Å
781E93.5Very high93.4Very high112 Ų11248.1 Ų48.152%0.52325%0.252SS..EExtended strand (participates in β ladder)trans-132.1135.1176.5177.1169.6158.900109.6V774 A775 R776V774-E781 HydrophobicContact CG1-CG 3.64Å; V774-E781 WeakPolarHBondContact CG1-OE1 3.38Å; A775-E781 WeakPolarHBondContact O-CA 3.17Å; R776-E781 HydrophobicContact CG-CB 4.16Å; R776-E781 HydrophobicContact CG-CG 3.85Å; R776-E781 IonicContact CZ-OE1 2.77Å; R776-E781 IonicContact CZ-OE2 3.23Å; R776-E781 IonicContact NE-OE1 2.67Å; R776-E781 IonicContact NE-OE2 2.72Å; R776-E781 PolarHBondContact NE-OE2 2.94Å; R776-E781 VanDerWaalsContact NH2-CD 3.27Å; R776-E781 IonicContact NH2-OE1 2.99Å; R776-E781 PolarHBondContact NH2-OE1 3.02Å; R776-E781 IonicContact NH2-OE2 2.92Å; R776-E781 PolarHBondContact NH2-OE2 3.34Å; R776-E781 VanDerWaalsContact NH2-OE2 3.16Å
782A94.2Very high93.1Very high21 Ų2152 Ų5217%0.17428%0.277CS..EExtended strand (participates in β ladder)trans-124.6148171.800000109.5P698 F700 V774 A775P698-A782 HydrophobicContact CB-CB 4.2Å; P698-A782 HydrophobicContact CG-CB 4Å; P698-A782 VanDerWaalsContact O-CB 3.28Å; P698-A782 WeakPolarHBondContact O-CB 3.37Å; F700-A782 HydrophobicContact CD2-CB 4.22Å; F700-A782 HydrophobicContact CE2-CB 4.25Å; V774-A782 CarbonylContact C-O 3.45Å; V774-A782 WeakPolarHBondContact CA-O 3.12Å; A775-A782 PolarHBondContact N-O 2.59Å; A775-A782 PolarHBondContact O-N 3.49Å
783A94.6Very high92.5Very high52 Ų5254.3 Ų54.343%0.4329%0.289SS..EExtended strand (participates in β ladder)trans-128.1143.5177.500000110.4A773 V774A773-A783 CarbonylContact O-C 3.58Å; A773-A783 WeakPolarHBondContact O-CA 3.42Å; V774-A783 HydrophobicContact CG2-CB 4.32Å
784A94.8Very high91.7Very high7 Ų760.3 Ų60.36%0.05832%0.32CS..EExtended strand (participates in β ladder)trans-131.613617000000108.8F700 L703 P704 K772 A773F700-A784 HydrophobicContact CD2-CB 3.64Å; F700-A784 HydrophobicContact CE2-CB 3.85Å; F700-A784 HydrophobicContact CG-CB 4Å; F700-A784 HydrophobicContact CZ-CB 4.39Å; L703-A784 HydrophobicContact CD2-CB 3.63Å; P704-A784 HydrophobicContact CG-CB 4.07Å; K772-A784 CarbonylContact C-O 3.53Å; K772-A784 WeakPolarHBondContact CA-O 3.34Å; A773-A784 PolarHBondContact N-O 3.17Å; A773-A784 PolarHBondContact O-N 2.8Å
785E94.4Very high90.5Very high129 Ų12963.5 Ų63.560%0.60334%0.338SS*.EExtended strand (participates in β ladder)trans-128.9143.7-169.9-64-178.5-171.600110.1I771 K772I771-E785 WeakPolarHBondContact O-CA 3.45Å; K772-E785 HydrophobicContact CB-CG 4.01Å; K772-E785 HydrophobicContact CD-CG 3.92Å; K772-E785 WeakPolarHBondContact CD-OE1 3.39Å; K772-E785 WeakPolarHBondContact CE-OE1 3.3Å; K772-E785 HydrophobicContact CG-CG 3.81Å; K772-E785 IonicContact NZ-OE1 3.76Å; K772-E785 PolarHBondContact NZ-OE1 2.94Å
786T95.3Very high89.5Confident19 Ų1969.7 Ų69.712%0.11737%0.365CS..EExtended strand (participates in β ladder)trans-154.5178.4178.8-162.30000110.9P704 V705 A706 F717 I771P704-T786 HydrophobicContact CB-CG2 3.76Å; P704-T786 HydrophobicContact CG-CG2 3.96Å; P704-T786 VanDerWaalsContact O-CB 3.27Å; P704-T786 WeakPolarHBondContact O-CB 3.29Å; P704-T786 PolarHBondContact O-OG1 2.91Å; V705-T786 VanDerWaalsContact C-OG1 3.31Å; V705-T786 PolarHBondContact O-OG1 3.24Å; A706-T786 WeakPolarHBondContact CA-OG1 3.38Å; A706-T786 WeakPolarHBondContact CB-OG1 3.44Å; A706-T786 PolarHBondContact N-OG1 2.68Å; A706-T786 VanDerWaalsContact N-OG1 3.1Å; F717-T786 HydrophobicContact CD1-CG2 3.63Å; F717-T786 HydrophobicContact CE1-CG2 3.61Å; I771-T786 HydrophobicContact CB-CG2 3.91Å; I771-T786 HydrophobicContact CG2-CG2 4.4Å; I771-T786 PolarHBondContact N-O 3.34Å; I771-T786 PolarHBondContact O-N 3.45Å
787I94.7Very high88.3Confident56 Ų5669.2 Ų69.229%0.28736%0.363SS..EExtended strand (participates in β ladder)trans-123.4143.2-179.859.7178.3000112A706 V707 L769 I789A706-I787 WeakPolarHBondContact CA-O 3.14Å; A706-I787 HydrophobicContact CB-CG1 3.97Å; V707-I787 PolarHBondContact N-O 2.86Å; V707-I787 VanDerWaalsContact N-O 3.09Å; L769-I787 WeakPolarHBondContact O-CA 3.33Å; I787-I789 HydrophobicContact CD1-CD1 3.96Å; I787-I789 HydrophobicContact CD1-CG1 4.07Å; I787-I789 HydrophobicContact CG1-CG1 4.35Å
788L93.7Very high87Confident0 Ų071.4 Ų71.40%038%0.379CS..EExtended strand (participates in β ladder)trans-106.3114.1164.1177.858.2000107.7V707 V709 A715 F717 F760 V763 E768 L769 I771 I790V707-L788 HydrophobicContact CB-CD1 4.23Å; V707-L788 CarbonylContact O-C 3.51Å; V707-L788 WeakPolarHBondContact O-CA 3.22Å; V709-L788 HydrophobicContact CG2-CD1 3.76Å; A715-L788 HydrophobicContact CB-CD1 3.7Å; A715-L788 HydrophobicContact CB-CD2 4.31Å; F717-L788 HydrophobicContact CE2-CB 4.14Å; F717-L788 HydrophobicContact CE2-CD1 4.15Å; F717-L788 HydrophobicContact CE2-CD2 4.18Å; F717-L788 HydrophobicContact CE2-CG 4.38Å; F717-L788 HydrophobicContact CZ-CB 3.69Å; F717-L788 HydrophobicContact CZ-CD1 3.92Å; F717-L788 HydrophobicContact CZ-CG 4.24Å; F760-L788 HydrophobicContact CD2-CD2 4.15Å; F760-L788 HydrophobicContact CE1-CD2 4.46Å; F760-L788 HydrophobicContact CE2-CD2 3.86Å; F760-L788 HydrophobicContact CZ-CD2 4.02Å; V763-L788 HydrophobicContact CG1-CD2 3.96Å; E768-L788 WeakPolarHBondContact CA-O 3.13Å; L769-L788 HydrophobicContact CB-CB 4.24Å; L769-L788 HydrophobicContact CD1-CD2 4.24Å; L769-L788 PolarHBondContact N-O 2.84Å; L769-L788 PolarHBondContact O-N 3.27Å; I771-L788 HydrophobicContact CD1-CB 4.47Å; I771-L788 HydrophobicContact CG1-CB 4.1Å; L788-I790 HydrophobicContact CD2-CD1 4.36Å; L788-I790 HydrophobicContact CD2-CG1 4.33Å; L788-I790 HydrophobicContact CG-CG1 4.02Å
789I94.1Very high85.6Confident50 Ų5069.8 Ų69.826%0.25637%0.37SS..EExtended strand (participates in β ladder)trans-96.9117.5175-54.3179.2000107.7V707 T708 V709 E768 I787V707-I789 PolarHBondContact O-N 3.31Å; T708-I789 CarbonylContact C-O 3.58Å; T708-I789 WeakPolarHBondContact CA-O 3.45Å; T708-I789 HydrophobicContact CG2-CB 4.12Å; T708-I789 HydrophobicContact CG2-CG2 4.17Å; V709-I789 PolarHBondContact N-O 2.92Å; E768-I789 HydrophobicContact CG-CG1 4.45Å; I787-I789 HydrophobicContact CD1-CD1 3.96Å; I787-I789 HydrophobicContact CD1-CG1 4.07Å; I787-I789 HydrophobicContact CG1-CG1 4.35Å
790I93.1Very high84.2Confident7 Ų770.8 Ų70.84%0.03638%0.376CS..EExtended strand (participates in β ladder)trans-103.2105.1178-52.7168000108.2V709 E711 V763 T765 P766 G767 L769 L788V709-I790 HydrophobicContact CG2-CG1 4.44Å; V709-I790 CarbonylContact O-C 3.43Å; V709-I790 WeakPolarHBondContact O-CA 3.46Å; E711-I790 HydrophobicContact CB-CG2 4.34Å; V763-I790 HydrophobicContact CB-CD1 3.91Å; V763-I790 HydrophobicContact CB-CG1 4.13Å; V763-I790 HydrophobicContact CB-CG2 4.44Å; V763-I790 HydrophobicContact CG2-CD1 4.37Å; V763-I790 HydrophobicContact CG2-CG1 4.2Å; V763-I790 HydrophobicContact CG2-CG2 3.74Å; T765-I790 WeakPolarHBondContact O-CD1 3.47Å; P766-I790 VanDerWaalsContact CA-O 3.28Å; P766-I790 WeakPolarHBondContact CA-O 3.47Å; P766-I790 WeakPolarHBondContact CB-O 3.23Å; G767-I790 PolarHBondContact N-O 3.22Å; G767-I790 PolarHBondContact O-N 2.87Å; L769-I790 HydrophobicContact CD1-CD1 3.99Å; L769-I790 HydrophobicContact CG-CD1 4.17Å; L788-I790 HydrophobicContact CD2-CD1 4.36Å; L788-I790 HydrophobicContact CD2-CG1 4.33Å; L788-I790 HydrophobicContact CG-CG1 4.02Å
791E91.3Very high82.6Confident102 Ų10276.5 Ų76.548%0.47739%0.389SS..EExtended strand (participates in β ladder)trans-78.3141.6174.4-64.4-174.1162.800110.7T708 V709 T710 E711 Q793T708-E791 HydrophobicContact CG2-CG 3.78Å; V709-E791 PolarHBondContact O-N 3.12Å; T710-E791 CarbonylContact C-O 3.6Å; T710-E791 WeakPolarHBondContact CA-O 3.45Å; E711-E791 PolarHBondContact N-O 3.1Å; E791-Q793 PolarHBondContact O-N 2.9Å
792P88Confident80.5Confident82 Ų8279.4 Ų79.453%0.53240%0.403SS..  trans-63.8134.6177.427.5-34.3000111.2P766 L794P766-P792 HydrophobicContact CB-CB 4.21Å; P766-P792 HydrophobicContact CG-CB 3.85Å; P792-L794 PolarHBondContact O-N 2.73Å
793Q82.5Confident78.4Confident119 Ų11983.3 Ų83.356%0.55642%0.424SS*.  trans-69.1107.8172-174.4175.73700109E711 E791 D795E711-Q793 HydrophobicContact CB-CB 4.15Å; E791-Q793 PolarHBondContact O-N 2.9Å; Q793-D795 PolarHBondContact O-N 2.89Å
794L78.4Confident76.5Confident125 Ų12586.8 Ų86.865%0.65443%0.431SS*.  trans-60.8110.6176.2-76.6170.7000110.4P792 F796P792-L794 PolarHBondContact O-N 2.73Å; L794-F796 HydrophobicContact CB-CE1 4.02Å; L794-F796 HydrophobicContact CB-CE2 4.21Å; L794-F796 HydrophobicContact CB-CZ 3.77Å; L794-F796 HydrophobicContact CD1-CE1 4.35Å; L794-F796 HydrophobicContact CD1-CZ 4.31Å; L794-F796 WeakPolarHBondContact O-CD2 3.45Å; L794-F796 WeakPolarHBondContact O-CE2 3.34Å; L794-F796 PolarHBondContact O-N 2.98Å
795D69.7Low74.6Confident69 Ų6992 Ų9237%0.36946%0.464SS..  trans-79.1105.6169.8-173.1-0.4000109.2Q793 R797 P798Q793-D795 PolarHBondContact O-N 2.89Å; D795-R797 VanDerWaalsContact C-N 3.26Å; D795-R797 PolarHBondContact O-N 2.93Å; D795-R797 WeakPolarHBondContact OD1-CB 3.43Å; D795-R797 WeakPolarHBondContact OD1-CD 3.48Å; D795-R797 WeakPolarHBondContact OD1-CG 3.47Å; D795-R797 IonicContact OD1-CZ 3.54Å; D795-R797 PolarHBondContact OD1-N 3.45Å; D795-R797 IonicContact OD1-NE 2.68Å; D795-R797 PolarHBondContact OD1-NE 2.75Å; D795-R797 IonicContact OD1-NH2 3.25Å; D795-R797 IonicContact OD2-CZ 2.78Å; D795-R797 IonicContact OD2-NE 2.95Å; D795-R797 PolarHBondContact OD2-NE 2.93Å; D795-R797 IonicContact OD2-NH2 3.96Å; D795-R797 PolarHBondContact OD2-NH2 3.39Å; D795-P798 WeakPolarHBondContact O-CD 3.25Å
796F72Confident72.8Confident129 Ų12990.7 Ų90.757%0.56646%0.458SS*.  trans-78.7-4.7176.3-54.9-74.1000113.4L794 P798 D799 L800L794-F796 HydrophobicContact CB-CE1 4.02Å; L794-F796 HydrophobicContact CB-CE2 4.21Å; L794-F796 HydrophobicContact CB-CZ 3.77Å; L794-F796 HydrophobicContact CD1-CE1 4.35Å; L794-F796 HydrophobicContact CD1-CZ 4.31Å; L794-F796 WeakPolarHBondContact O-CD2 3.45Å; L794-F796 WeakPolarHBondContact O-CE2 3.34Å; L794-F796 PolarHBondContact O-N 2.98Å; F796-P798 VanDerWaalsContact C-N 3.32Å; F796-D799 PolarHBondContact O-N 3.33Å; F796-L800 WeakPolarHBondContact O-CG 3.42Å; F796-L800 PolarHBondContact O-N 2.96Å
797R68.5Low71Confident73 Ų7393.3 Ų93.328%0.27547%0.471SS..THydrogen-bonded Turntrans-59.6-26178.1-62.8173.8-68.4-163.21.8114.7I409 S411 G443 D795 R801I409-R797 HydrophobicContact CD1-CG 4.28Å; S411-R797 VanDerWaalsContact OG-CZ 3.29Å; S411-R797 PolarHBondContact OG-NH1 2.84Å; S411-R797 PolarHBondContact OG-NH2 2.9Å; G443-R797 PolarHBondContact O-NH1 3.05Å; D795-R797 VanDerWaalsContact C-N 3.26Å; D795-R797 PolarHBondContact O-N 2.93Å; D795-R797 WeakPolarHBondContact OD1-CB 3.43Å; D795-R797 WeakPolarHBondContact OD1-CD 3.48Å; D795-R797 WeakPolarHBondContact OD1-CG 3.47Å; D795-R797 IonicContact OD1-CZ 3.54Å; D795-R797 PolarHBondContact OD1-N 3.45Å; D795-R797 IonicContact OD1-NE 2.68Å; D795-R797 PolarHBondContact OD1-NE 2.75Å; D795-R797 IonicContact OD1-NH2 3.25Å; D795-R797 IonicContact OD2-CZ 2.78Å; D795-R797 IonicContact OD2-NE 2.95Å; D795-R797 PolarHBondContact OD2-NE 2.93Å; D795-R797 IonicContact OD2-NH2 3.96Å; D795-R797 PolarHBondContact OD2-NH2 3.39Å; R797-R801 WeakPolarHBondContact O-CD 3.49Å; R797-R801 VanDerWaalsContact O-CG 3.25Å; R797-R801 WeakPolarHBondContact O-CG 3.15Å; R797-R801 PolarHBondContact O-NE 3.24Å
798P63.5Low69.2Low70 Ų7094.5 Ų94.546%0.45548%0.483SS..THydrogen-bonded Turntrans-72.9-39.5172.1-1934.3000113.6D795 F796 L800 R801D795-P798 WeakPolarHBondContact O-CD 3.25Å; F796-P798 VanDerWaalsContact C-N 3.32Å; P798-L800 VanDerWaalsContact C-N 3.34Å; P798-R801 WeakPolarHBondContact O-CB 3.28Å; P798-R801 PolarHBondContact O-N 3.14Å
799D62.8Low67.4Low118 Ų118102 Ų10263%0.63152%0.516SS*.G310 helixtrans-66.5-40.2179.9-63-38.2000110.7F796 R801 H802F796-D799 PolarHBondContact O-N 3.33Å; D799-R801 PolarHBondContact O-N 2.79Å; D799-R801 VanDerWaalsContact O-N 3.15Å; D799-H802 PolarHBondContact O-N 2.87Å
800L58.5Low65.9Low118 Ų118104.1 Ų104.162%0.61852%0.523SS*.G310 helixtrans-61.1-18.8172-67.4171.3000113.7F796 P798F796-L800 WeakPolarHBondContact O-CG 3.42Å; F796-L800 PolarHBondContact O-N 2.96Å; P798-L800 VanDerWaalsContact C-N 3.34Å
801R57.7Low64.3Low149 Ų149108.7 Ų108.756%0.56254%0.543SS*.G310 helixtrans-84.8-6.7-179.6-73168.4-166-149.4-0114.5I409 R797 P798 D799I409-R801 PolarHBondContact O-NH2 3.38Å; R797-R801 WeakPolarHBondContact O-CD 3.49Å; R797-R801 VanDerWaalsContact O-CG 3.25Å; R797-R801 WeakPolarHBondContact O-CG 3.15Å; R797-R801 PolarHBondContact O-NE 3.24Å; P798-R801 WeakPolarHBondContact O-CB 3.28Å; P798-R801 PolarHBondContact O-N 3.14Å; D799-R801 PolarHBondContact O-N 2.79Å; D799-R801 VanDerWaalsContact O-N 3.15Å
802H49.9Very low62.7Low173 Ų173107.9 Ų107.980%0.80154%0.541SS*.SBendtrans-114.38.3177-77.895.5000114.9D799 E804D799-H802 PolarHBondContact O-N 2.87Å; H802-E804 VanDerWaalsContact C-N 3.35Å; H802-E804 PolarHBondContact O-N 3.1Å
803V48.1Very low61.4Low102 Ų102106.2 Ų106.262%0.61853%0.534SS*.  trans-69.296.2160-176.10000107.8P805V803-P805 VanDerWaalsContact O-N 3.14Å
804E55.6Low60.3Low126 Ų126106.4 Ų106.459%0.58954%0.535SS*.  trans-47.3123.1160.2-123.9-154.6-144.900106.4H802 E806 K810H802-E804 VanDerWaalsContact C-N 3.35Å; H802-E804 PolarHBondContact O-N 3.1Å; E804-E806 PolarHBondContact O-N 2.79Å; E804-K810 IonicContact OE1-NZ 3.36Å; E804-K810 PolarHBondContact OE1-NZ 3.36Å; E804-K810 IonicContact OE2-NZ 2.97Å; E804-K810 PolarHBondContact OE2-NZ 3.23Å
805P54.8Low59.3Low115 Ų115106 Ų10675%0.74753%0.533SS*.  trans-60.3107.3-177.623-32.6000107.3V803 N807V803-P805 VanDerWaalsContact O-N 3.14Å; P805-N807 VanDerWaalsContact C-N 3.26Å; P805-N807 PolarHBondContact O-N 2.86Å
806E56.2Low58.6Low103 Ų103110.8 Ų110.848%0.48155%0.551SS.*  trans-63.594.2-169.8-107.8-148.2122.900108E804 P808 K811E804-E806 PolarHBondContact O-N 2.79Å; E806-P808 WeakPolarHBondContact O-CD 3.32Å; E806-K811 IonicContact OE1-NZ 3.95Å; E806-K811 WeakPolarHBondContact OE2-CD 3.15Å; E806-K811 VanDerWaalsContact OE2-CE 3.24Å; E806-K811 WeakPolarHBondContact OE2-CE 3.3Å; E806-K811 IonicContact OE2-NZ 3.39Å; E806-K811 PolarHBondContact OE2-NZ 2.85Å
807N57.3Low57.7Low73 Ų73113 Ų11339%0.3956%0.56SS.*  trans-54.3120.2-173.8175.5-18.5000106.2P805 F809 K810 K811P805-N807 VanDerWaalsContact C-N 3.26Å; P805-N807 PolarHBondContact O-N 2.86Å; N807-F809 CarbonylContact O-C 3.46Å; N807-F809 PolarHBondContact O-N 3.21Å; N807-F809 VanDerWaalsContact OD1-CB 3.28Å; N807-F809 WeakPolarHBondContact OD1-CB 3.41Å; N807-F809 VanDerWaalsContact OD1-CD2 3.25Å; N807-F809 WeakPolarHBondContact OD1-CD2 3.33Å; N807-F809 PolarHBondContact OD1-N 2.83Å; N807-K810 HydrophobicContact CB-CB 4.1Å; N807-K810 HydrophobicContact CB-CG 4.28Å; N807-K810 WeakPolarHBondContact O-CA 3.3Å; N807-K810 WeakPolarHBondContact O-CB 3.48Å; N807-K810 PolarHBondContact O-N 2.95Å; N807-K811 PolarHBondContact O-N 2.91Å; N807-K811 VanDerWaalsContact O-N 3.12Å
808P56.9Low56.7Low82 Ų82114.5 Ų114.553%0.53258%0.577SS.*Hα-helixtrans-58.1-26.2-175.120.1-31.4000110.5E806 L812E806-P808 WeakPolarHBondContact O-CD 3.32Å; P808-L812 VanDerWaalsContact O-CB 3.27Å; P808-L812 WeakPolarHBondContact O-CB 3.38Å; P808-L812 WeakPolarHBondContact O-CD1 3.42Å; P808-L812 PolarHBondContact O-N 3.07Å
809F57.2Low56Low157 Ų157120.6 Ų120.669%0.68960%0.597SS**Hα-helixtrans-74.5-29.2171-51.3-68.2000114.5N807 A813N807-F809 CarbonylContact O-C 3.46Å; N807-F809 PolarHBondContact O-N 3.21Å; N807-F809 VanDerWaalsContact OD1-CB 3.28Å; N807-F809 WeakPolarHBondContact OD1-CB 3.41Å; N807-F809 VanDerWaalsContact OD1-CD2 3.25Å; N807-F809 WeakPolarHBondContact OD1-CD2 3.33Å; N807-F809 PolarHBondContact OD1-N 2.83Å; F809-A813 WeakPolarHBondContact O-CB 3.29Å; F809-A813 PolarHBondContact O-N 2.78Å
810K62.7Low55.4Low94 Ų94118.8 Ų118.841%0.40959%0.592SS.*Hα-helixtrans-61.1-55165.8-96.9-171.9179-179.50109.4E804 N807 A813 Q814E804-K810 IonicContact OE1-NZ 3.36Å; E804-K810 PolarHBondContact OE1-NZ 3.36Å; E804-K810 IonicContact OE2-NZ 2.97Å; E804-K810 PolarHBondContact OE2-NZ 3.23Å; N807-K810 HydrophobicContact CB-CB 4.1Å; N807-K810 HydrophobicContact CB-CG 4.28Å; N807-K810 WeakPolarHBondContact O-CA 3.3Å; N807-K810 WeakPolarHBondContact O-CB 3.48Å; N807-K810 PolarHBondContact O-N 2.95Å; K810-A813 PolarHBondContact O-N 2.9Å; K810-A813 VanDerWaalsContact O-N 3.1Å; K810-Q814 WeakPolarHBondContact O-CG 3.28Å; K810-Q814 PolarHBondContact O-N 2.91Å
811K59.1Low55.4Low103 Ų103115.2 Ų115.245%0.44858%0.577SS.*Hα-helixtrans-65.2-44-175.5-150.9171.1-158.6162.10111.6E806 N807 A813 Q814 L815E806-K811 IonicContact OE1-NZ 3.95Å; E806-K811 WeakPolarHBondContact OE2-CD 3.15Å; E806-K811 VanDerWaalsContact OE2-CE 3.24Å; E806-K811 WeakPolarHBondContact OE2-CE 3.3Å; E806-K811 IonicContact OE2-NZ 3.39Å; E806-K811 PolarHBondContact OE2-NZ 2.85Å; N807-K811 PolarHBondContact O-N 2.91Å; N807-K811 VanDerWaalsContact O-N 3.12Å; K811-A813 VanDerWaalsContact C-N 3.35Å; K811-A813 PolarHBondContact O-N 2.87Å; K811-Q814 PolarHBondContact O-N 2.93Å; K811-L815 HydrophobicContact CG-CD1 4.38Å; K811-L815 WeakPolarHBondContact O-CB 3.47Å; K811-L815 VanDerWaalsContact O-CG 3.31Å; K811-L815 WeakPolarHBondContact O-CG 3.44Å; K811-L815 PolarHBondContact O-N 2.86Å
812L57.2Low55.6Low85 Ų85114.7 Ų114.745%0.44559%0.586SS.*Hα-helixtrans-63.2-35170.8-92.676.4000112.9P808 K816P808-L812 VanDerWaalsContact O-CB 3.27Å; P808-L812 WeakPolarHBondContact O-CB 3.38Å; P808-L812 WeakPolarHBondContact O-CD1 3.42Å; P808-L812 PolarHBondContact O-N 3.07Å; L812-K816 WeakPolarHBondContact O-CB 3.28Å; L812-K816 WeakPolarHBondContact O-CD 3.32Å; L812-K816 WeakPolarHBondContact O-CG 3.33Å; L812-K816 PolarHBondContact O-N 2.71Å
813A61.6Low56.2Low47 Ų47113.9 Ų113.939%0.38858%0.582SS.*Hα-helixtrans-73.7-29.9178.100000113F809 K810 K811 K817F809-A813 WeakPolarHBondContact O-CB 3.29Å; F809-A813 PolarHBondContact O-N 2.78Å; K810-A813 PolarHBondContact O-N 2.9Å; K810-A813 VanDerWaalsContact O-N 3.1Å; K811-A813 VanDerWaalsContact C-N 3.35Å; K811-A813 PolarHBondContact O-N 2.87Å; A813-K817 VanDerWaalsContact O-CG 3.28Å; A813-K817 WeakPolarHBondContact O-CG 3.4Å; A813-K817 PolarHBondContact O-N 2.87Å
814Q59.6Low56.5Low123 Ų123113.2 Ų113.258%0.57558%0.575SS**Hα-helixtrans-73.7-45.4171.5-69.31797.900110.9K810 K811 K816 K817 V818K810-Q814 WeakPolarHBondContact O-CG 3.28Å; K810-Q814 PolarHBondContact O-N 2.91Å; K811-Q814 PolarHBondContact O-N 2.93Å; Q814-K816 VanDerWaalsContact C-N 3.28Å; Q814-K816 PolarHBondContact O-N 2.83Å; Q814-K817 WeakPolarHBondContact O-CA 3.46Å; Q814-K817 WeakPolarHBondContact O-CB 3.48Å; Q814-K817 PolarHBondContact O-N 2.87Å; Q814-V818 PolarHBondContact O-N 2.91Å
815L56.2Low56.9Low117 Ų117109.6 Ų109.661%0.61356%0.564SS**Hα-helixtrans-60.3-36.1173.3-71.6165.6000112.3K811 K817 V818K811-L815 HydrophobicContact CG-CD1 4.38Å; K811-L815 WeakPolarHBondContact O-CB 3.47Å; K811-L815 VanDerWaalsContact O-CG 3.31Å; K811-L815 WeakPolarHBondContact O-CG 3.44Å; K811-L815 PolarHBondContact O-N 2.86Å; L815-K817 PolarHBondContact O-N 2.82Å; L815-V818 PolarHBondContact O-N 3.2Å
816K54.8Low57.2Low169 Ų169107.6 Ų107.674%0.73555%0.552SS**THydrogen-bonded Turntrans-73.2-6.8171.8-74.8171.9-179.3-179.20114.8L812 Q814L812-K816 WeakPolarHBondContact O-CB 3.28Å; L812-K816 WeakPolarHBondContact O-CD 3.32Å; L812-K816 WeakPolarHBondContact O-CG 3.33Å; L812-K816 PolarHBondContact O-N 2.71Å; Q814-K816 VanDerWaalsContact C-N 3.28Å; Q814-K816 PolarHBondContact O-N 2.83Å
817K54.1Low57.3Low176 Ų176105.6 Ų105.677%0.76555%0.553SS**THydrogen-bonded Turntrans-100.1-8.5174.2-79.4174.8178.6-174.90113.4A813 Q814 L815 K819A813-K817 VanDerWaalsContact O-CG 3.28Å; A813-K817 WeakPolarHBondContact O-CG 3.4Å; A813-K817 PolarHBondContact O-N 2.87Å; Q814-K817 WeakPolarHBondContact O-CA 3.46Å; Q814-K817 WeakPolarHBondContact O-CB 3.48Å; Q814-K817 PolarHBondContact O-N 2.87Å; L815-K817 PolarHBondContact O-N 2.82Å; K817-K819 PolarHBondContact O-N 2.9Å
818V47.3Very low57.2Low104 Ų104110.3 Ų110.363%0.6357%0.57SS**SBendtrans-62.3125.3168.2-1780000107.9Q814 L815 C820Q814-V818 PolarHBondContact O-N 2.91Å; L815-V818 PolarHBondContact O-N 3.2Å; V818-C820 PolarHBondContact O-N 3.36Å; V818-C820 VanDerWaalsContact O-N 3.13Å
819K49.1Very low57.4Low198 Ų198116.5 Ų116.586%0.86158%0.583SS**PPolyproline II helixtrans-58.6119.4171-84.5-174.2173.7-177.50108.2K817 S821K817-K819 PolarHBondContact O-N 2.9Å; K819-S821 PolarHBondContact O-N 2.91Å
820C49.3Very low57Low80 Ų80117.4 Ų117.454%0.54159%0.587SS.*PPolyproline II helixtrans-56.2122.3167.2-169.70000108V818 L824V818-C820 PolarHBondContact O-N 3.36Å; V818-C820 VanDerWaalsContact O-N 3.13Å; C820-L824 VanDerWaalsContact SG-CB 3.58Å
821S59Low56.2Low44 Ų44117.9 Ų117.931%0.30860%0.599SS.*PPolyproline II helixtrans-66.515317465.20000109.8K819 E823 L824 S825K819-S821 PolarHBondContact O-N 2.91Å; S821-E823 PolarHBondContact O-N 3.05Å; S821-L824 PolarHBondContact O-N 2.81Å; S821-L824 VanDerWaalsContact O-N 3.08Å; S821-L824 PolarHBondContact OG-N 3.17Å; S821-S825 PolarHBondContact O-N 2.99Å
822D61.7Low55.8Low138 Ų138122.8 Ų122.874%0.73862%0.621SS**Hα-helixtrans-58.9-33.1178.1-63.7-70.1000111.4S825 S826D822-S825 PolarHBondContact O-N 2.8Å; D822-S825 PolarHBondContact O-OG 3.2Å; D822-S826 WeakPolarHBondContact O-CB 3.32Å; D822-S826 PolarHBondContact O-N 3.04Å
823E61.7Low55.4Low155 Ų155122.2 Ų122.272%0.72463%0.628SS**Hα-helixtrans-57.7-53.8170.8-59.4178.8128.600112.5S821 S825 S826 A827S821-E823 PolarHBondContact O-N 3.05Å; E823-S825 VanDerWaalsContact C-N 3.29Å; E823-S825 PolarHBondContact O-N 3.11Å; E823-S826 WeakPolarHBondContact O-CB 3.36Å; E823-S826 PolarHBondContact O-N 3.29Å; E823-S826 VanDerWaalsContact O-N 3.11Å; E823-S826 PolarHBondContact O-OG 3.47Å; E823-A827 PolarHBondContact O-N 3.41Å
824L56Low54.9Low88 Ų88127 Ų12746%0.46164%0.642SS.*Hα-helixtrans-59.3-41.3175-85.1164.2000111.3C820 S821 S826 A827 F828C820-L824 VanDerWaalsContact SG-CB 3.58Å; S821-L824 PolarHBondContact O-N 2.81Å; S821-L824 VanDerWaalsContact O-N 3.08Å; S821-L824 PolarHBondContact OG-N 3.17Å; L824-S826 PolarHBondContact O-N 3.01Å; L824-A827 PolarHBondContact O-N 3.01Å; L824-F828 HydrophobicContact CD2-CE2 4.21Å; L824-F828 VanDerWaalsContact O-CD2 3.28Å; L824-F828 WeakPolarHBondContact O-CD2 3.4Å; L824-F828 PolarHBondContact O-N 3.21Å
825S62.1Low54.5Low51 Ų51123.8 Ų123.836%0.35764%0.637SS.*Hα-helixtrans-63-29.9177.9930000112.8S821 D822 E823S821-S825 PolarHBondContact O-N 2.99Å; D822-S825 PolarHBondContact O-N 2.8Å; D822-S825 PolarHBondContact O-OG 3.2Å; E823-S825 VanDerWaalsContact C-N 3.29Å; E823-S825 PolarHBondContact O-N 3.11Å
826S62Low54.6Low73 Ų73123.8 Ų123.851%0.5164%0.637SS.*Hα-helixtrans-78.7-39176.181.70000112.2D822 E823 L824 F828 R829D822-S826 WeakPolarHBondContact O-CB 3.32Å; D822-S826 PolarHBondContact O-N 3.04Å; E823-S826 WeakPolarHBondContact O-CB 3.36Å; E823-S826 PolarHBondContact O-N 3.29Å; E823-S826 VanDerWaalsContact O-N 3.11Å; E823-S826 PolarHBondContact O-OG 3.47Å; L824-S826 PolarHBondContact O-N 3.01Å; S826-F828 VanDerWaalsContact C-N 3.31Å; S826-F828 PolarHBondContact O-N 3.43Å; S826-R829 PolarHBondContact O-N 2.93Å; S826-R829 VanDerWaalsContact O-N 3.11Å
827A58.4Low54.9Low60 Ų60120.1 Ų120.150%0.49663%0.625SS.*Hα-helixtrans-60.6-38.5-177.700000112.5E823 L824 R829E823-A827 PolarHBondContact O-N 3.41Å; L824-A827 PolarHBondContact O-N 3.01Å; A827-R829 VanDerWaalsContact C-N 3.29Å; A827-R829 PolarHBondContact O-N 3.35Å
828F56.2Low55.1Low172 Ų172116.9 Ų116.975%0.75462%0.616SS**THydrogen-bonded Turntrans-78.51178.9-71.4-68.8000115.1L824 S826 K830L824-F828 HydrophobicContact CD2-CE2 4.21Å; L824-F828 VanDerWaalsContact O-CD2 3.28Å; L824-F828 WeakPolarHBondContact O-CD2 3.4Å; L824-F828 PolarHBondContact O-N 3.21Å; S826-F828 VanDerWaalsContact C-N 3.31Å; S826-F828 PolarHBondContact O-N 3.43Å; F828-K830 PolarHBondContact O-N 3Å
829R59.1Low55.9Low213 Ų213119.9 Ų119.980%0.80462%0.616SS**THydrogen-bonded Turntrans-86.78.2179.7-74.5-173.2-179.4-144.93.4115.5S826 A827S826-R829 PolarHBondContact O-N 2.93Å; S826-R829 VanDerWaalsContact O-N 3.11Å; A827-R829 VanDerWaalsContact C-N 3.29Å; A827-R829 PolarHBondContact O-N 3.35Å
830K49.1Very low56.9Low175 Ų175117.5 Ų117.576%0.76160%0.602SS**SBendtrans-71.8148.7179.8-70-177.5177.9177.60112.4F828F828-K830 PolarHBondContact O-N 3Å
831P47.1Very low57.7Low104 Ų104118.5 Ų118.568%0.67560%0.601SS**  trans-72.1141.4-161.8-19.733.9000114.3A833P831-A833 PolarHBondContact O-N 2.98Å
832K49.7Very low58Low207 Ų207122 Ų12290%0.961%0.612SS**THydrogen-bonded Turntrans-65.14.3-179-70-177.9175.2177.90115.9
833A49.6Very low58.4Low72 Ų72123.8 Ų123.860%0.59561%0.609SS**THydrogen-bonded Turntrans-74.3-40.7-173.200000113.9P831 A835P831-A833 PolarHBondContact O-N 2.98Å; A833-A835 PolarHBondContact O-N 2.97Å
834Q51.7Low58.7Low147 Ų147122 Ų12269%0.68760%0.601SS**Hα-helixtrans-77.6-20.8-168.6-70.2175.5-39.300114.6L836 D837 L838Q834-L836 PolarHBondContact O-N 2.74Å; Q834-D837 PolarHBondContact O-N 3.31Å; Q834-L838 WeakPolarHBondContact O-CG 3.3Å; Q834-L838 PolarHBondContact O-N 3.06Å
835A51.2Low59.1Low56 Ų56123.1 Ų123.146%0.46361%0.606SS.*Hα-helixtrans-73.1-5-176.100000114.9A833A833-A835 PolarHBondContact O-N 2.97Å
836L56.9Low59Low118 Ų118126 Ų12662%0.61861%0.614SS**Hα-helixtrans-101.2-37.8177.3-147.1162.4000110.9Q834 R839 R840Q834-L836 PolarHBondContact O-N 2.74Å; L836-R839 PolarHBondContact O-N 3.44Å; L836-R840 PolarHBondContact O-N 3.36Å; L836-R840 VanDerWaalsContact O-N 3.15Å
837D62.5Low58.9Low91 Ų91127.4 Ų127.449%0.48762%0.616SS.*Hα-helixtrans-73.4-35172.2-71.4-34.1000112.7Q834 R839 R840 L841Q834-D837 PolarHBondContact O-N 3.31Å; D837-R839 VanDerWaalsContact C-N 3.25Å; D837-R839 PolarHBondContact O-N 3.27Å; D837-R840 WeakPolarHBondContact O-CB 3.44Å; D837-R840 PolarHBondContact O-N 2.83Å; D837-R840 WeakPolarHBondContact OD1-CD 3.44Å; D837-R840 IonicContact OD1-CZ 3.5Å; D837-R840 IonicContact OD1-NH1 2.7Å; D837-R840 PolarHBondContact OD1-NH1 2.86Å; D837-L841 PolarHBondContact O-N 2.89Å
838L57.1Low58.9Low109 Ų109133.8 Ų133.857%0.57163%0.627SS**Hα-helixtrans-55.2-43.2169.5-78.2167.1000111.6Q834 R840 L841 E842Q834-L838 WeakPolarHBondContact O-CG 3.3Å; Q834-L838 PolarHBondContact O-N 3.06Å; L838-R840 VanDerWaalsContact C-N 3.29Å; L838-R840 PolarHBondContact O-N 2.98Å; L838-L841 WeakPolarHBondContact O-CB 3.2Å; L838-L841 PolarHBondContact O-N 3.15Å; L838-L841 VanDerWaalsContact O-N 3.17Å; L838-E842 WeakPolarHBondContact O-CG 3.19Å; L838-E842 PolarHBondContact O-N 2.69Å
839R64.4Low58.6Low166 Ų166127.5 Ų127.563%0.62661%0.611SS**Hα-helixtrans-77-10.8178.9-128.8-175.3-57.4-175.3-0114.5L836 D837 E842L836-R839 PolarHBondContact O-N 3.44Å; D837-R839 VanDerWaalsContact C-N 3.25Å; D837-R839 PolarHBondContact O-N 3.27Å; R839-E842 WeakPolarHBondContact CG-OE2 3.45Å
840R70.5Confident58.3Low149 Ų149127 Ų12756%0.56261%0.609SS**Hα-helixtrans-79.8-46.7163-78.1170.3159.2166.9-10110.1L836 D837 L838 E842 R843 E844L836-R840 PolarHBondContact O-N 3.36Å; L836-R840 VanDerWaalsContact O-N 3.15Å; D837-R840 WeakPolarHBondContact O-CB 3.44Å; D837-R840 PolarHBondContact O-N 2.83Å; D837-R840 WeakPolarHBondContact OD1-CD 3.44Å; D837-R840 IonicContact OD1-CZ 3.5Å; D837-R840 IonicContact OD1-NH1 2.7Å; D837-R840 PolarHBondContact OD1-NH1 2.86Å; L838-R840 VanDerWaalsContact C-N 3.29Å; L838-R840 PolarHBondContact O-N 2.98Å; R840-E842 PolarHBondContact O-N 2.72Å; R840-R843 CarbonylContact O-C 3.46Å; R840-R843 PolarHBondContact O-N 2.68Å; R840-R843 VanDerWaalsContact O-N 3.09Å; R840-E844 PolarHBondContact O-N 3.47Å
841L64.6Low58.3Low100 Ų100123.9 Ų123.952%0.52461%0.609SS.*Hα-helixtrans-61.1-42.7-179.1-146.278.1000112D837 L838 R843 E844 L845D837-L841 PolarHBondContact O-N 2.89Å; L838-L841 WeakPolarHBondContact O-CB 3.2Å; L838-L841 PolarHBondContact O-N 3.15Å; L838-L841 VanDerWaalsContact O-N 3.17Å; L841-R843 VanDerWaalsContact C-N 3.34Å; L841-R843 PolarHBondContact O-N 3.1Å; L841-E844 PolarHBondContact O-N 3.42Å; L841-L845 WeakPolarHBondContact O-CB 3.48Å; L841-L845 WeakPolarHBondContact O-CG 3.44Å; L841-L845 PolarHBondContact O-N 2.87Å
842E65.8Low58.4Low117 Ų117122.9 Ų122.955%0.54761%0.61SS.*Hα-helixtrans-56.1-46.4171.8-73.3173.7138.600111.6L838 R839 R840 L845 E846L838-E842 WeakPolarHBondContact O-CG 3.19Å; L838-E842 PolarHBondContact O-N 2.69Å; R839-E842 WeakPolarHBondContact CG-OE2 3.45Å; R840-E842 PolarHBondContact O-N 2.72Å; E842-L845 PolarHBondContact O-N 3Å; E842-E846 WeakPolarHBondContact O-CG 3.26Å; E842-E846 PolarHBondContact O-N 2.8Å
843R70.2Confident58.1Low176 Ų176116.4 Ų116.466%0.66460%0.595SS**Hα-helixtrans-68.4-33.3177.6-88.3-178.4163.6-178.5-4.6113.8R840 L841 L845 N847R840-R843 CarbonylContact O-C 3.46Å; R840-R843 PolarHBondContact O-N 2.68Å; R840-R843 VanDerWaalsContact O-N 3.09Å; L841-R843 VanDerWaalsContact C-N 3.34Å; L841-R843 PolarHBondContact O-N 3.1Å; R843-L845 VanDerWaalsContact C-N 3.33Å; R843-N847 VanDerWaalsContact O-CB 3.29Å; R843-N847 WeakPolarHBondContact O-CB 3.11Å; R843-N847 PolarHBondContact O-N 3.08Å; R843-N847 PolarHBondContact O-ND2 2.83Å
844E69Low57.4Low119 Ų119115.3 Ų115.356%0.55659%0.591SS**Hα-helixtrans-70-33.5173.7-72.8-179.1168.100111.5R840 L841 R848R840-E844 PolarHBondContact O-N 3.47Å; L841-E844 PolarHBondContact O-N 3.42Å; E844-R848 WeakPolarHBondContact O-CB 3.01Å; E844-R848 WeakPolarHBondContact O-CG 3.29Å; E844-R848 PolarHBondContact O-N 3Å
845L63.2Low57.1Low110 Ų110113.7 Ų113.758%0.57659%0.59SS**Hα-helixtrans-71.4-45.8172.2-73.3165.4000112.4L841 E842 R843 N847 R848 G849L841-L845 WeakPolarHBondContact O-CB 3.48Å; L841-L845 WeakPolarHBondContact O-CG 3.44Å; L841-L845 PolarHBondContact O-N 2.87Å; E842-L845 PolarHBondContact O-N 3Å; R843-L845 VanDerWaalsContact C-N 3.33Å; L845-N847 VanDerWaalsContact C-N 3.34Å; L845-N847 PolarHBondContact O-N 2.95Å; L845-R848 PolarHBondContact O-N 2.8Å; L845-G849 PolarHBondContact O-N 2.78Å
846E60.9Low57.2Low112 Ų112116.5 Ų116.552%0.52360%0.598SS.*Hα-helixtrans-58.3-44.7174.2-75.7-170.8114.400111.7E842 G849 R850E842-E846 WeakPolarHBondContact O-CG 3.26Å; E842-E846 PolarHBondContact O-N 2.8Å; E846-G849 PolarHBondContact O-N 2.89Å; E846-R850 WeakPolarHBondContact O-CG 3.29Å; E846-R850 PolarHBondContact O-N 3.09Å
847N59.7Low57.2Low102 Ų102115.1 Ų115.155%0.54559%0.594SS.*Hα-helixtrans-67.5-40.7177.7-74.3-33.7000111.8R843 L845 R850 S851R843-N847 VanDerWaalsContact O-CB 3.29Å; R843-N847 WeakPolarHBondContact O-CB 3.11Å; R843-N847 PolarHBondContact O-N 3.08Å; R843-N847 PolarHBondContact O-ND2 2.83Å; L845-N847 VanDerWaalsContact C-N 3.34Å; L845-N847 PolarHBondContact O-N 2.95Å; N847-R850 PolarHBondContact O-N 2.86Å; N847-S851 PolarHBondContact O-N 3.32Å; N847-S851 PolarHBondContact O-OG 2.85Å
848R58.7Low56.9Low195 Ų195117.8 Ų117.874%0.73660%0.603SS**Hα-helixtrans-62.6-42.3173.5-86.2179.8162.2171.5-4.1112.3E844 L845 S851 A852E844-R848 WeakPolarHBondContact O-CB 3.01Å; E844-R848 WeakPolarHBondContact O-CG 3.29Å; E844-R848 PolarHBondContact O-N 3Å; L845-R848 PolarHBondContact O-N 2.8Å; R848-S851 PolarHBondContact O-N 2.79Å; R848-A852 VanDerWaalsContact O-CB 3.29Å; R848-A852 WeakPolarHBondContact O-CB 3.43Å; R848-A852 PolarHBondContact O-N 3.05Å
849G50.4Low57.1Low39 Ų39119 Ų11940%0.40261%0.606SS.*Hα-helixtrans-59.9-48.9175.600000112.2L845 E846 S851 A852 A853L845-G849 PolarHBondContact O-N 2.78Å; E846-G849 PolarHBondContact O-N 2.89Å; G849-S851 VanDerWaalsContact C-N 3.26Å; G849-S851 PolarHBondContact O-N 2.77Å; G849-A852 PolarHBondContact O-N 2.83Å; G849-A852 VanDerWaalsContact O-N 3.12Å; G849-A853 PolarHBondContact O-N 2.76Å
850R51.1Low56.8Low202 Ų202115.3 Ų115.376%0.76260%0.602SS**Hα-helixtrans-65.4-23.6177.7-71.6178.6-176.4-112.21.5114.2E846 N847E846-R850 WeakPolarHBondContact O-CG 3.29Å; E846-R850 PolarHBondContact O-N 3.09Å; N847-R850 PolarHBondContact O-N 2.86Å
851S49.4Very low56.4Low111 Ų111114.6 Ų114.678%0.77661%0.605SS**Hα-helixtrans-94-6.4173.8-63.10000114.4N847 R848 G849N847-S851 PolarHBondContact O-N 3.32Å; N847-S851 PolarHBondContact O-OG 2.85Å; R848-S851 PolarHBondContact O-N 2.79Å; G849-S851 VanDerWaalsContact C-N 3.26Å; G849-S851 PolarHBondContact O-N 2.77Å
852A50.7Low56.7Low83 Ų83114.4 Ų114.469%0.68661%0.605SS**Hα-helixtrans-100.4-30.7176.500000113R848 G849 G854R848-A852 VanDerWaalsContact O-CB 3.29Å; R848-A852 WeakPolarHBondContact O-CB 3.43Å; R848-A852 PolarHBondContact O-N 3.05Å; G849-A852 PolarHBondContact O-N 2.83Å; G849-A852 VanDerWaalsContact O-N 3.12Å; A852-G854 PolarHBondContact O-N 2.87Å
853A41.9Very low56.9Low70 Ų70114 Ų11458%0.57961%0.606SS**SBendtrans-78.951.9177.900000112.9G849G849-A853 PolarHBondContact O-N 2.76Å
854G35.2Very low56.5Low50 Ų50112.9 Ų112.952%0.51560%0.603SS.*  trans-79.6144.7178.800000113.3A852 D856A852-G854 PolarHBondContact O-N 2.87Å; G854-D856 PolarHBondContact O-N 2.78Å
855V46.1Very low56.6Low112 Ų112110.4 Ų110.468%0.67960%0.599SS**SBendtrans72.6-66.5168.4-163.20000116.1V857V855-V857 PolarHBondContact O-N 3.21Å
856D53.4Low56.9Low116 Ų116113.3 Ų113.362%0.6260%0.602SS**Hα-helixtrans-66.9-33.8-161.1-72.2-37.4000115.6G854 T860G854-D856 PolarHBondContact O-N 2.78Å; D856-T860 WeakPolarHBondContact O-CB 3.28Å; D856-T860 PolarHBondContact O-N 3.42Å; D856-T860 PolarHBondContact O-OG1 3.47Å
857V55.4Low57.1Low88 Ų88111.2 Ų111.253%0.53360%0.597SS.*Hα-helixtrans-69.4-42.9-172.7-176.60000111.6V855 T860 E861V855-V857 PolarHBondContact O-N 3.21Å; V857-T860 PolarHBondContact O-N 2.87Å; V857-E861 PolarHBondContact O-N 2.59Å
858E58Low57.2Low147 Ų147109.5 Ų109.569%0.68759%0.585SS**Hα-helixtrans-73.8-33.1-178.5-168.8168.6-161.800111.4N862E858-N862 WeakPolarHBondContact O-CB 3.18Å; E858-N862 PolarHBondContact O-N 2.85Å; E858-N862 VanDerWaalsContact O-N 3.1Å; E858-N862 PolarHBondContact O-ND2 3.23Å
859E59.9Low57.4Low136 Ų136103.1 Ų103.164%0.63657%0.57SS**Hα-helixtrans-66.1-38.8167.8-70.2-147.9125.600111.9N862 L863E859-N862 PolarHBondContact O-N 2.86Å; E859-L863 VanDerWaalsContact O-CB 3.23Å; E859-L863 WeakPolarHBondContact O-CB 3.3Å; E859-L863 PolarHBondContact O-N 2.77Å
860T58.1Low57.6Low87 Ų87106.5 Ų106.553%0.53458%0.576SS.*Hα-helixtrans-65.3-44.7178.6-58.70000112.2D856 V857 L863 Y864D856-T860 WeakPolarHBondContact O-CB 3.28Å; D856-T860 PolarHBondContact O-N 3.42Å; D856-T860 PolarHBondContact O-OG1 3.47Å; V857-T860 PolarHBondContact O-N 2.87Å; T860-L863 PolarHBondContact O-N 3.24Å; T860-Y864 WeakPolarHBondContact O-CB 3.35Å; T860-Y864 PolarHBondContact O-N 3.06Å
861E63.7Low57.4Low135 Ų135102.7 Ų102.763%0.63157%0.57SS**Hα-helixtrans-66.7-36.9175.3-71.7-165147.700112.4V857 S865V857-E861 PolarHBondContact O-N 2.59Å; E861-S865 VanDerWaalsContact O-CB 3.28Å; E861-S865 WeakPolarHBondContact O-CB 3.49Å; E861-S865 PolarHBondContact O-N 3.36Å; E861-S865 PolarHBondContact O-OG 2.88Å
862N69Low57.4Low95 Ų95106 Ų10651%0.50857%0.566SS.*Hα-helixtrans-68.7-35.7173.6-84.1-72.7000112.5E858 E859 S865 R866E858-N862 WeakPolarHBondContact O-CB 3.18Å; E858-N862 PolarHBondContact O-N 2.85Å; E858-N862 VanDerWaalsContact O-N 3.1Å; E858-N862 PolarHBondContact O-ND2 3.23Å; E859-N862 PolarHBondContact O-N 2.86Å; N862-S865 PolarHBondContact O-N 3.4Å; N862-R866 WeakPolarHBondContact O-CB 3.43Å; N862-R866 PolarHBondContact O-N 3.09Å
863L70Confident57.3Low110 Ų110106.6 Ų106.658%0.57656%0.561SS**Hα-helixtrans-67-46.8174.8-173.368.1000110.7E859 T860 S865 R866 V867E859-L863 VanDerWaalsContact O-CB 3.23Å; E859-L863 WeakPolarHBondContact O-CB 3.3Å; E859-L863 PolarHBondContact O-N 2.77Å; T860-L863 PolarHBondContact O-N 3.24Å; L863-S865 VanDerWaalsContact C-N 3.29Å; L863-S865 PolarHBondContact O-N 2.76Å; L863-R866 WeakPolarHBondContact O-CB 3.15Å; L863-R866 PolarHBondContact O-N 3.04Å; L863-R866 VanDerWaalsContact O-N 3.14Å; L863-V867 WeakPolarHBondContact O-CG2 3.47Å; L863-V867 PolarHBondContact O-N 2.87Å
864Y62.9Low57.2Low151 Ų151109.4 Ų109.459%0.59257%0.566SS**Hα-helixtrans-58.9-41.9174.1-168.1-94.9000111.4T860 V867 Q868T860-Y864 WeakPolarHBondContact O-CB 3.35Å; T860-Y864 PolarHBondContact O-N 3.06Å; Y864-V867 PolarHBondContact O-N 3.35Å; Y864-Q868 HydrophobicContact CD1-CG 3.86Å; Y864-Q868 HydrophobicContact CE1-CG 3.59Å; Y864-Q868 VanDerWaalsContact O-CB 3.3Å; Y864-Q868 WeakPolarHBondContact O-CB 3.44Å; Y864-Q868 VanDerWaalsContact O-CG 3.3Å; Y864-Q868 WeakPolarHBondContact O-CG 3.34Å; Y864-Q868 PolarHBondContact O-N 3.05Å; Y864-Q868 PolarHBondContact OH-NE2 2.84Å; Y864-Q868 VanDerWaalsContact OH-NE2 3.17Å
865S70.7Confident57.5Low68 Ų68118.3 Ų118.348%0.47658%0.584SS.*Hα-helixtrans-66.3-34.6175.3-60.40000113.2E861 N862 L863 S869E861-S865 VanDerWaalsContact O-CB 3.28Å; E861-S865 WeakPolarHBondContact O-CB 3.49Å; E861-S865 PolarHBondContact O-N 3.36Å; E861-S865 PolarHBondContact O-OG 2.88Å; N862-S865 PolarHBondContact O-N 3.4Å; L863-S865 VanDerWaalsContact C-N 3.29Å; L863-S865 PolarHBondContact O-N 2.76Å; S865-S869 WeakPolarHBondContact O-CB 3.34Å; S865-S869 PolarHBondContact O-N 3.37Å; S865-S869 PolarHBondContact O-OG 3.42Å
866R69.9Low56.9Low171 Ų171124.2 Ų124.265%0.64559%0.594SS**Hα-helixtrans-65-45.2170.4-97.4178.1167.2155.2-3112.1N862 L863 S869 Q870N862-R866 WeakPolarHBondContact O-CB 3.43Å; N862-R866 PolarHBondContact O-N 3.09Å; L863-R866 WeakPolarHBondContact O-CB 3.15Å; L863-R866 PolarHBondContact O-N 3.04Å; L863-R866 VanDerWaalsContact O-N 3.14Å; R866-S869 WeakPolarHBondContact CA-OG 3.45Å; R866-S869 PolarHBondContact O-N 3.36Å; R866-S869 PolarHBondContact O-OG 3.36Å; R866-Q870 WeakPolarHBondContact O-CB 3.35Å; R866-Q870 WeakPolarHBondContact O-CG 3.3Å; R866-Q870 PolarHBondContact O-N 2.84Å
867V64.5Low56.3Low68 Ų68123.8 Ų123.841%0.41260%0.601SS.*Hα-helixtrans-65.3-46.2177.5173.70000110.6L863 Y864 S869 Q870 L871L863-V867 WeakPolarHBondContact O-CG2 3.47Å; L863-V867 PolarHBondContact O-N 2.87Å; Y864-V867 PolarHBondContact O-N 3.35Å; V867-S869 PolarHBondContact O-N 3.26Å; V867-Q870 PolarHBondContact O-N 2.91Å; V867-L871 HydrophobicContact CG1-CD1 3.75Å; V867-L871 HydrophobicContact CG1-CG 4.31Å; V867-L871 WeakPolarHBondContact O-CB 3.26Å; V867-L871 VanDerWaalsContact O-CG 3.3Å; V867-L871 WeakPolarHBondContact O-CG 3.47Å; V867-L871 PolarHBondContact O-N 3.26Å
868Q62.7Low55.2Low65 Ų65125.5 Ų125.530%0.30462%0.616SS.*Hα-helixtrans-61.5-24.9175.6-78-81.2-15.700114.1Y864 R872Y864-Q868 HydrophobicContact CD1-CG 3.86Å; Y864-Q868 HydrophobicContact CE1-CG 3.59Å; Y864-Q868 VanDerWaalsContact O-CB 3.3Å; Y864-Q868 WeakPolarHBondContact O-CB 3.44Å; Y864-Q868 VanDerWaalsContact O-CG 3.3Å; Y864-Q868 WeakPolarHBondContact O-CG 3.34Å; Y864-Q868 PolarHBondContact O-N 3.05Å; Y864-Q868 PolarHBondContact OH-NE2 2.84Å; Y864-Q868 VanDerWaalsContact OH-NE2 3.17Å; Q868-R872 WeakPolarHBondContact O-CG 3.41Å; Q868-R872 PolarHBondContact O-NH1 2.88Å
869S63.1Low54.4Low61 Ų61123.8 Ų123.843%0.42762%0.616SS.*Hα-helixtrans-87.7-42.7174.745.80000112.2S865 R866 V867 L871 R872 T873S865-S869 WeakPolarHBondContact O-CB 3.34Å; S865-S869 PolarHBondContact O-N 3.37Å; S865-S869 PolarHBondContact O-OG 3.42Å; R866-S869 WeakPolarHBondContact CA-OG 3.45Å; R866-S869 PolarHBondContact O-N 3.36Å; R866-S869 PolarHBondContact O-OG 3.36Å; V867-S869 PolarHBondContact O-N 3.26Å; S869-L871 VanDerWaalsContact C-N 3.35Å; S869-L871 PolarHBondContact O-N 2.73Å; S869-R872 PolarHBondContact O-N 2.95Å; S869-T873 PolarHBondContact O-N 3.22Å; S869-T873 VanDerWaalsContact O-N 3.11Å; S869-T873 PolarHBondContact O-OG1 2.97Å
870Q53.3Low53.5Low110 Ų110122.8 Ų122.851%0.51462%0.621SS.*Hα-helixtrans-60.9-40.4174.8-71.5177.19.700112.7R866 V867 R872 T873 N874R866-Q870 WeakPolarHBondContact O-CB 3.35Å; R866-Q870 WeakPolarHBondContact O-CG 3.3Å; R866-Q870 PolarHBondContact O-N 2.84Å; V867-Q870 PolarHBondContact O-N 2.91Å; Q870-R872 PolarHBondContact O-N 2.88Å; Q870-T873 WeakPolarHBondContact CA-OG1 3.48Å; Q870-T873 PolarHBondContact O-N 2.85Å; Q870-T873 PolarHBondContact O-OG1 3.27Å; Q870-N874 VanDerWaalsContact O-CG 3.29Å; Q870-N874 PolarHBondContact O-N 3.04Å; Q870-N874 PolarHBondContact O-OD1 2.73Å
871L48.5Very low52.7Low123 Ų123124.6 Ų124.664%0.64463%0.634SS**Hα-helixtrans-63.8-25.6174.2-72.3170.4000113.1V867 S869V867-L871 HydrophobicContact CG1-CD1 3.75Å; V867-L871 HydrophobicContact CG1-CG 4.31Å; V867-L871 WeakPolarHBondContact O-CB 3.26Å; V867-L871 VanDerWaalsContact O-CG 3.3Å; V867-L871 WeakPolarHBondContact O-CG 3.47Å; V867-L871 PolarHBondContact O-N 3.26Å; S869-L871 VanDerWaalsContact C-N 3.35Å; S869-L871 PolarHBondContact O-N 2.73Å
872R47.6Very low51.5Low180 Ų180130 Ų13068%0.67965%0.649SS**Hα-helixtrans-84.3-23.3175.2-76.8-178177.180.5-0.9113.4Q868 S869 Q870Q868-R872 WeakPolarHBondContact O-CG 3.41Å; Q868-R872 PolarHBondContact O-NH1 2.88Å; S869-R872 PolarHBondContact O-N 2.95Å; Q870-R872 PolarHBondContact O-N 2.88Å
873T48.8Very low50.2Low96 Ų96131.9 Ų131.959%0.58966%0.664SS**Hα-helixtrans-86.3-28178.9510000113.9S869 Q870 R875S869-T873 PolarHBondContact O-N 3.22Å; S869-T873 VanDerWaalsContact O-N 3.11Å; S869-T873 PolarHBondContact O-OG1 2.97Å; Q870-T873 WeakPolarHBondContact CA-OG1 3.48Å; Q870-T873 PolarHBondContact O-N 2.85Å; Q870-T873 PolarHBondContact O-OG1 3.27Å; T873-R875 PolarHBondContact O-N 3.09Å
874N40.9Very low49.1Very low129 Ų129132.1 Ų132.169%0.6967%0.672SS**THydrogen-bonded Turntrans-80.122.1-169-69.44.9000115.8Q870Q870-N874 VanDerWaalsContact O-CG 3.29Å; Q870-N874 PolarHBondContact O-N 3.04Å; Q870-N874 PolarHBondContact O-OD1 2.73Å
875R40.4Very low47.9Very low237 Ų237130.6 Ų130.689%0.89468%0.681SS**THydrogen-bonded Turntrans-106.917.6175.5-81.6-164.2175.9-159-0.2114.8T873T873-R875 PolarHBondContact O-N 3.09Å
876R34.2Very low46.6Very low235 Ų235133 Ų13389%0.88769%0.694SS**SBendtrans-144.6144.8170.2-80-166.7169.2-152.2-4.9113.6
877S40.6Very low45.3Very low108 Ų108130.9 Ų130.976%0.75570%0.703SS**  trans73.3109.8166.2-155.70000117.8V879S877-V879 PolarHBondContact O-N 3.01Å
878S32.9Very low44.2Very low123 Ų123136.4 Ų136.486%0.8673%0.725SS**  trans-90.188.9171.752.60000111.4
879V41.2Very low43.1Very low112 Ų112138 Ų13868%0.67974%0.743SS**  trans-141126.3171.9-174.70000110.1S877S877-V879 PolarHBondContact O-N 3.01Å
880P41.6Very low41.8Very low115 Ų115143.6 Ų143.675%0.74776%0.762SS**PPolyproline II helixtrans-78.7134.5179.330.8-33.9000112.1
881P40.9Very low41.2Very low125 Ų125142.9 Ų142.981%0.81277%0.767SS**PPolyproline II helixtrans-78.6140177.131.4-33.9000112.2
882R37Very low40.4Very low247 Ų247145.4 Ų145.493%0.93278%0.776SS**PPolyproline II helixtrans-79.1140.1170.7-74.6-176.4170.3-137.2-0.6111.2
883T43.2Very low39.7Very low135 Ų135143 Ų14383%0.82878%0.776SS**PPolyproline II helixtrans-78.2134.3177.742.30000113
884P45.7Very low39.1Very low116 Ų116146 Ų14675%0.75379%0.787SS**PPolyproline II helixtrans-87.8158.916334.9-32.3000111.8
885P39Very low38.7Very low118 Ų118148.4 Ų148.477%0.76679%0.794SS**PPolyproline II helixtrans-82.5159.7-177.533.8-36.3000113.9
886P42.9Very low39Very low118 Ų118142.6 Ų142.677%0.76679%0.787SS**PPolyproline II helixtrans-86144.8-17733.8-35.2000114
887P42.4Very low39.1Very low127 Ų127138.4 Ų138.483%0.82578%0.782SS**PPolyproline II helixtrans-82.3162.6165.834.9-34000112.1
888Q42.2Very low38.7Very low185 Ų185140 Ų14086%0.86478%0.782SS**PPolyproline II helixtrans-96.7150-168.4-70.6172.1-2400114.6
889S38.4Very low38.7Very low98 Ų98139.5 Ų139.569%0.68577%0.774SS**  trans-12.3150.5145.848.90000117.6
890Q36.9Very low38.4Very low179 Ų179141 Ų14184%0.83677%0.773SS**  cis-172.6-161.211.4-114.2179.816.500107.7
891P39.3Very low37.9Very low94 Ų94144.8 Ų144.861%0.6177%0.774SS**  -133.1176.8-74.839.8-21.1000114.9
892Q32.8Very low37.6Very low177 Ų177145.7 Ų145.783%0.82777%0.767SS**  trans62.3155.9143-85.3-17134.500120.3
893N32.1Very low37.5Very low129 Ų129141.8 Ų141.869%0.6976%0.757SS**  cis-162.5175.8-11.8-172.610000109.1
894I35.4Very low37Very low158 Ų158142.3 Ų142.381%0.8175%0.75SS**  trans112.4145.6157-58.5167.7000116
895Q33.9Very low36.3Very low181 Ų181142.4 Ų142.485%0.84675%0.749SS**  trans-99.5170.2-153.6-81.6-177.8-5.400115.4
896P46.3Very low36.1Very low114 Ų114143.3 Ų143.374%0.7475%0.752SS**  trans-105.3172.1-164.440.8-36.1000115.3
897N35.6Very low35.6Very low148 Ų148141.9 Ų141.979%0.79175%0.751SS**  trans-164.5112.9148-114.2-42.7000115.3
898N33Very low35.9Very low140 Ų140141.3 Ų141.375%0.74975%0.747SS**  66.4165.5124.3-147.8-8.7000122.1
899V33.8Very low35.5Very low114 Ų114140.1 Ų140.169%0.69175%0.746SS**  trans77.1136.6165.3-175.50000117.4
900Q33Very low35.2Very low142 Ų142140.5 Ų140.566%0.66475%0.745SS**  cis-168.5147.9-24.8-106.9-177.413.400109.5
901Y31.8Very low35.3Very low195 Ų195140.1 Ų140.177%0.76574%0.743SS**  trans55164.5150-66.2-51.5000120.1
902Q34.4Very low34.9Very low145 Ų145143.1 Ų143.168%0.67875%0.749SS**  cis-157.2152.74-134.7172.264.100111.4
903K36.1Very low34.9Very low165 Ų165144.9 Ų144.972%0.71775%0.749SS**  trans35.6158.6137.2-72.2178.7-174.8176.20121.8
904Q32.5Very low34.8Very low146 Ų146146.8 Ų146.868%0.68275%0.754SS**  cis-167.7144.517-136.9162.4-45.200113.3
905T30.9Very low34.7Very low118 Ų118143.3 Ų143.372%0.72475%0.749SS**  trans52163.714648.40000120.7
906T33.6Very low34.6Very low137 Ų137144.3 Ų144.384%0.8475%0.754SS**  cis-151.717916-24.50000110.8
907A33.9Very low33.9Very low88 Ų88146.5 Ų146.573%0.72775%0.754SS**  trans-123-145.9-17800000113.8
908P47.8Very low33.7Very low115 Ų115146.3 Ų146.375%0.74775%0.748SS**  -127.6171.8-103.440.4-25000115.9
909N35Very low33.5Very low160 Ų160146.9 Ų146.986%0.85675%0.746SS**  trans-164.7165.2143.3-124.1-38.4000119.7
910T32.2Very low33.6Very low105 Ų105148.4 Ų148.464%0.64475%0.746SS**  trans-74.2146.9-171.7-50.60000118.2
911Q37.7Very low33.5Very low172 Ų172149.6 Ų149.680%0.80475%0.751SS**  trans176.8125.6133-97.1160.279.100111.4
912Q31.4Very low33.5Very low156 Ų156146 Ų14673%0.72975%0.746SS**  55.311292.6-73.1-166.7-15.900117.2
913Y33.5Very low33.5Very low214 Ų214148.7 Ų148.784%0.83976%0.755SS**  -174.1-174.3105.5-115.7-88.9000112.5
914Q29.9Very low33.4Very low170 Ų170149 Ų14979%0.79476%0.759SS**  trans-111.5155.8-166.4-64.5177.7-16.400114.8
915A31.6Very low34.3Very low85 Ų85147 Ų14770%0.70276%0.759SS**  trans53.6123.2144.100000121.6
916Q32.9Very low35Very low202 Ų202147.4 Ų147.494%0.94476%0.763SS**  -157.6158.9126.3-113.8147.5100.200113
917Q30.4Very low35.2Very low159 Ų159145.3 Ų145.374%0.74376%0.76SS**  trans-105.8146.4174.7-60.7170.71.600109.5
918H32.3Very low35.5Very low145 Ų145149.1 Ų149.167%0.67177%0.765SS**  147.3136.8127.2-85.299.1000114.5
919Q29.1Very low34.9Very low152 Ų152151.7 Ų151.771%0.7177%0.767SS**  trans65.4158150.6-64172.246.100116.1
920Q34.9Very low35Very low146 Ų146153.3 Ų153.368%0.68277%0.767SS**  cis-133.7146.714.2-122.6134.359.800109.3
921Q32.2Very low35.5Very low166 Ų166154.1 Ų154.178%0.77677%0.773SS**  56.2142.5106.3-67.7-169.735.700117
922N30.6Very low35.5Very low121 Ų121152.2 Ų152.265%0.64777%0.774SS**  cis-171150.8-12.1179.222.7000107.8
923F35.3Very low35.9Very low201 Ų201150 Ų15088%0.88277%0.773SS**  trans174.1141.9143.9-95-60.8000112.1
924Q34.2Very low36Very low171 Ų171149.5 Ų149.580%0.79977%0.769SS**  trans-173.5180-171.4-116.1-166.86.600108.2
925P51Low36.3Very low104 Ų104147.2 Ų147.268%0.67577%0.769SS**  cis-121.3-122.6-23.530.2-5.9000109.1
926P45.6Very low36.3Very low126 Ų126148.8 Ų148.882%0.81876%0.762SS**  cis-117-178.719.240.9-26000115.4
927A36.7Very low36.6Very low94 Ų94149.2 Ų149.278%0.77776%0.761SS**  trans-153.5151.6-177.900000114.6
928M41.8Very low36.6Very low168 Ų168149.9 Ų149.983%0.82877%0.765SS**  trans-156.9155.4167.3-69.9-169.575.300109.6
929Q35.3Very low37Very low168 Ų168147.4 Ų147.479%0.78577%0.769SS**  cis-159.5162.7-36.4-116.8175.148.400107.9
930K35.7Very low37.4Very low195 Ų195146.2 Ų146.285%0.84878%0.775SS**  trans-88.3158.2-177.5-82.6-172.6176.8-179.60114.1
931P43.5Very low37.6Very low121 Ų121146.8 Ų146.879%0.78678%0.781SS**  trans-126-169.213031.7-18.4000113.5
932T38.2Very low38.6Very low132 Ų132144.3 Ų144.381%0.8178%0.779SS**  trans-127.6-149.3-149.9-29.10000113.8
933P38.8Very low39.4Very low110 Ų110144 Ų14471%0.71478%0.784SS**  trans-126.2158-131.942.6-24.5000119.7
934R35.7Very low39.6Very low203 Ų203139.6 Ų139.677%0.76678%0.775SS**  trans64.4150.8157.9-106.9-175.9-168.7-1481.8117.5
935P36.3Very low40.2Very low122 Ų122137.7 Ų137.779%0.79278%0.778SS**  -128.6-169.974.739.6-28.2000114.8
936Q32.2Very low39.5Very low118 Ų118141.4 Ų141.455%0.55179%0.786SS**  trans-95.1151.5-177.9-67.1150.8-97.200112.5
937F37.9Very low38.9Very low212 Ų212144.3 Ų144.393%0.9379%0.788SS**  trans-137143.5141.9-94.9-81.4000109.4
938Q32.3Very low38.9Very low173 Ų173149 Ų14981%0.80880%0.795SS**  trans-121.2145.3176.4-70.2172.8-85.500109.1
939A40.3Very low38.5Very low93 Ų93148.9 Ų148.977%0.76979%0.792SS**  trans-128.3148.7163.400000108.4
940P37.5Very low38.8Very low127 Ų127146.8 Ų146.883%0.82579%0.793SS**PPolyproline II helixtrans-95.7145.1-147.5-7.527.8000114.8
941I37.6Very low38.6Very low158 Ų158144.3 Ų144.381%0.8179%0.789SS**PPolyproline II helixtrans-89.3127.8163.9-59.3169.7000107.8
942P53.1Low38.2Very low114 Ų114145 Ų14574%0.7479%0.791SS**PPolyproline II helixtrans-74.3137.7173.430-33.2000111.4
943P47.9Very low38Very low115 Ų115144.2 Ų144.275%0.74779%0.786SS**PPolyproline II helixtrans-84158.1-179.834.2-35.7000112.9
944P39.1Very low37.6Very low108 Ų108145 Ų14570%0.70179%0.789SS**PPolyproline II helixtrans-73.7143.5174.631.1-35000111.9Q946P944-Q946 PolarHBondContact O-N 2.86Å
945P47.1Very low37.6Very low131 Ų131141.9 Ų141.985%0.85179%0.792SS**  trans-75112.1177.829.6-33.3000111.5
946Q36.4Very low37.3Very low181 Ų181146.2 Ų146.285%0.84679%0.792SS**  trans-80.4144169.9-69.4-177.9-14.200111.1P944P944-Q946 PolarHBondContact O-N 2.86Å
947Q34.1Very low37.5Very low187 Ų187149 Ų14987%0.87481%0.81SS**  trans-70.4144.8178.2-63.3173.7-5.300111.5
948Q35.5Very low37.1Very low194 Ų194145.6 Ų145.691%0.90780%0.802SS**  trans-122.8128.6164.9-69.5-171.7-0.600110.2
949Q34.2Very low37.2Very low165 Ų165142.3 Ų142.377%0.77180%0.804SS**PPolyproline II helixtrans-92.9144.3170.4-62.7177.8-2.600110.3
950P42.4Very low36.8Very low124 Ų124143.5 Ų143.581%0.80581%0.806SS**PPolyproline II helixtrans-86129.815932.7-29.1000110.8
951N30.8Very low36.9Very low143 Ų143142.5 Ų142.577%0.76580%0.8SS**PPolyproline II helixtrans-79.3137.3175.7-81.9-51.3000112.6
952T35.7Very low36.8Very low136 Ų136141 Ų14183%0.83479%0.794SS**  trans-158.391.6150.4-15.10000108.2
953T33.7Very low36Very low114 Ų114144.1 Ų144.170%0.69980%0.798SS**  84.897.976-64.50000113.7
954V30.3Very low35.3Very low127 Ų127148.8 Ų148.877%0.7780%0.801SS**  trans65.6117.4144-179.40000119.1
955V35.2Very low35.3Very low137 Ų137149.2 Ų149.283%0.8380%0.804SS**  -155147.2103.8148.90000108.5
956R30.5Very low34.5Very low214 Ų214148.9 Ų148.981%0.80880%0.795SS**  trans-86.3157.8174.4-51.5178.7-172179.21.9110.6
957L35.2Very low34.3Very low175 Ų175149.5 Ų149.592%0.91680%0.798SS**  -154.9145.7128.1-108.7169.6000110.5
958N29.5Very low34.3Very low142 Ų142145.7 Ų145.776%0.75979%0.789SS**  trans-101.9142.2-176.4-64.8-8.3000110.8
959A35.3Very low34.4Very low103 Ų103141.8 Ų141.885%0.85178%0.783SS**  trans-159.7109.7149.300000111.9
960S31.9Very low34.9Very low118 Ų118139.8 Ų139.883%0.82578%0.784SS**  trans-120.3-177.4158.9-34.60000106.9
961P40.7Very low34.6Very low106 Ų106139.4 Ų139.469%0.68878%0.782SS**  cis-129-178.1-17.740.6-25.8000112.2
962N35.1Very low34.8Very low128 Ų128140 Ų14068%0.68478%0.784SS**  trans174.2123.3135.3-89.6-17000109.7
963Q35.9Very low34.7Very low178 Ų178141.9 Ų141.983%0.83278%0.783SS**  89.1130.775.5-76.3-17162.200114.3
964R33.2Very low34.5Very low214 Ų214145.4 Ų145.481%0.80879%0.794SS**  trans-65169.2169.1-96.3-173-171.1-134.17.9111.1
965P38.2Very low34.8Very low116 Ų116146.9 Ų146.975%0.75380%0.797SS**  cis-147-16637.944.1-23000117.3
966D31.5Very low35Very low125 Ų125147.3 Ų147.367%0.66879%0.79SS**  trans-62.8144.5176.6-40.8-110.2000114.2
967Q30.9Very low35.1Very low194 Ų194143.1 Ų143.191%0.90779%0.79SS**  trans-173163.3140.7-94.4-117.1-38.800112
968P35.1Very low35Very low107 Ų107142.4 Ų142.470%0.69579%0.786SS**  trans-99.1-178.3-158.739.5-37.8000116.4
969S37Very low35Very low112 Ų112141 Ų14178%0.78378%0.783SS**PPolyproline II helixtrans-59.3146-172.4-37.60000116.8
970P44.3Very low35Very low122 Ų122144.4 Ų144.479%0.79279%0.785SS**PPolyproline II helixtrans-84.8148160.134.7-32.5000112.2
971P35.8Very low35.3Very low116 Ų116143.2 Ų143.275%0.75378%0.777SS**PPolyproline II helixtrans-101.5153.817838-34000113.8
972I35.6Very low35.9Very low157 Ų157143.8 Ų143.881%0.80578%0.781SS**  trans-177.2142.1161.4-100.1144.6000107.7
973Q34Very low36.1Very low175 Ų175144.1 Ų144.182%0.81879%0.789SS**  cis-150160.1-20.9-106169.71200107.9
974M29.8Very low36.1Very low187 Ų187138.6 Ų138.692%0.92178%0.781SS**  trans-86.9137179.8-61.8178.1-178.900112.8
975L36.3Very low36Very low159 Ų159137.5 Ų137.583%0.83279%0.785SS**  trans-136.193.8159.9-85.4175.7000112.5
976Q38.3Very low35.8Very low146 Ų146137.2 Ų137.268%0.68278%0.781SS**  trans38.2113.4140.9-56.1-179.313.500120.4
977P33.9Very low36Very low125 Ų125140 Ų14081%0.81279%0.79SS**PPolyproline II helixtrans-77.8120.2145.732.1-28.8000109.6T979P977-T979 PolarHBondContact O-N 2.97Å
978L32.9Very low35.9Very low161 Ų161136.8 Ų136.884%0.84378%0.784SS**PPolyproline II helixtrans-75.2126.4179.1-87.5169.1000111.8
979T30.4Very low36Very low113 Ų113137.4 Ų137.469%0.69379%0.788SS**PPolyproline II helixtrans-97.9133.1-175.3-51.40000110.9P977P977-T979 PolarHBondContact O-N 2.97Å
980I34.1Very low35.8Very low173 Ų173138.2 Ų138.289%0.88779%0.788SS**  trans-131.4142.2155.6-61.9-175.5000108
981S37.7Very low35.4Very low94 Ų94141.9 Ų141.966%0.65779%0.794SS**  trans-113.9162.9-162.8-590000113.4
982P53Low35.4Very low118 Ų118141.7 Ų141.777%0.76680%0.796SS**  trans-91.5176.2-170.738.5-37.9000113.9
983P40.7Very low35.8Very low134 Ų134139.9 Ų139.987%0.8779%0.794SS**  -139.3170.3112.738.9-28.1000113.1
984G35Very low35.9Very low63 Ų63143.5 Ų143.565%0.64980%0.8SS**  cis149.8136.9-9.400000113.8
985Q32.4Very low36.2Very low191 Ų191142.3 Ų142.389%0.89380%0.798SS**  trans71.5149.8170.6-48.9-171.724.400114.4
986T33.1Very low36.6Very low109 Ų109141.3 Ų141.367%0.66980%0.798SS**  cis-155.3128.747.8-60.40000114.6
987Q34.9Very low36.9Very low185 Ų185139.1 Ų139.186%0.86480%0.796SS**  trans64.2127.2153.5-66.3166.83300122.7
988T29.5Very low37.3Very low126 Ų126139.5 Ų139.577%0.77380%0.799SS**  trans-103.2168.715960.40000109.1
989P38Very low37.7Very low120 Ų120137.1 Ų137.178%0.77980%0.796SS**  -151.2141.385.437.2-17.7000117.9
990V32.1Very low38.3Very low129 Ų129136.4 Ų136.478%0.78280%0.801SS**  27.9120.2126.7-1730000120.2
991E35.9Very low38.8Very low198 Ų198137.1 Ų137.193%0.92580%0.801SS**  -153.2171.4123.8-128.3-179.6-17700112.6
992S36.8Very low39.4Very low113 Ų113138.6 Ų138.679%0.7981%0.808SS**  trans-119.5166.5-156.4-106.70000115.6
993P42.5Very low39.4Very low119 Ų119139.1 Ų139.177%0.77381%0.809SS**  trans-95.1169.8-152.537.2-39.1000116.9
994R37.1Very low40.5Very low250 Ų250138.1 Ų138.194%0.94380%0.803SS**  trans-142.1145.8164.6-98.6-175.9175.1177.8-0.1113.6
995N36.4Very low42Very low162 Ų162140.7 Ų140.787%0.86681%0.808SS**  trans-75.7143.8-175.9-62.4-37.5000114.5
996V42.8Very low43.7Very low138 Ų138137.1 Ų137.184%0.83680%0.801SS**  trans-142.6135.4144.1-174.50000107.6
997P45.1Very low45.3Very low100 Ų100137.5 Ų137.565%0.64981%0.806SS**  trans-80.3160.5-177.932.8-36.6000113.5
998P42.8Very low46.9Very low134 Ų134134.2 Ų134.287%0.8780%0.801SS**  trans-68.3140.6177.330-35.7000111.6
999S41.3Very low48.7Very low111 Ų111133.8 Ų133.878%0.77680%0.8SS**  trans-124.2137177.6-65.30000110.3
1000A42.7Very low50Low98 Ų98133.7 Ų133.781%0.8180%0.799SS**  trans19.9118.4166.900000119.3
1001Q44.4Very low51.4Low188 Ų188133.9 Ų133.988%0.87980%0.803SS**PPolyproline II helixtrans-60.9139.9157-75.5178.2-57.800110.2
1002P51Low51.7Low125 Ų125130.1 Ų130.181%0.81280%0.799SS**PPolyproline II helixtrans-77.2136.1171.531.9-33.4000110.9
1003T52Low51.9Low128 Ų128133.5 Ų133.579%0.78581%0.805SS**PPolyproline II helixtrans-69.7142167.647.90000110.8
1004P65.3Low52.1Low114 Ų114132 Ų13274%0.7480%0.802SS**PPolyproline II helixtrans-64.8151.4172.928.6-34.8000111.6
1005P65.3Low52Low116 Ų116126.5 Ų126.575%0.75380%0.798SS**PPolyproline II helixtrans-74.2153.4178.131.7-35.4000112.1
1006P68.9Low52.2Low116 Ų116123.9 Ų123.975%0.75380%0.799SS**PPolyproline II helixtrans-71.6155.1175.231.1-35.6000112.2
1007P67.2Low52.1Low118 Ų118121.3 Ų121.377%0.76679%0.793SS**PPolyproline II helixtrans-68.3155.4175.229.6-35.4000112.3
1008P68Low51.7Low116 Ų116125.6 Ų125.675%0.75380%0.804SS**PPolyproline II helixtrans-72.7150.5178.530.9-35.5000112.3
1009P67.6Low51.5Low116 Ų116126.3 Ų126.375%0.75380%0.801SS**PPolyproline II helixtrans-72.2150.2178.830.5-35.7000112.3
1010P64.1Low51.3Low119 Ų119126.8 Ų126.877%0.77380%0.799SS**PPolyproline II helixtrans-68.9147.6176.729-34.9000112.1S1012P1010-S1012 PolarHBondContact O-N 3.33Å
1011P62.7Low51.1Low132 Ų132128.3 Ų128.386%0.85780%0.798SS**PPolyproline II helixtrans-74.6122.9-178.129.6-34.2000112
1012S41Very low51.1Low120 Ų120127.1 Ų127.184%0.83980%0.797SS**PPolyproline II helixtrans-91.9117.9171.6179.40000110.7P1010P1010-S1012 PolarHBondContact O-N 3.33Å
1013M42.7Very low51.7Low184 Ų184126.3 Ų126.391%0.90679%0.792SS**  trans-139.8140.7165.4-75.4-155.374.800112.8
1014A45.8Very low51.7Low87 Ų87125.9 Ų125.972%0.71979%0.791SS**  trans-52.3159.6-169.700000117.8
1015P35.7Very low51.4Low134 Ų134126 Ų12687%0.8779%0.792SS**  trans-73142.9173.631.5-36.1000112.6
1016A40.3Very low51.2Low107 Ų107126.7 Ų126.788%0.88480%0.796SS**  trans-138149.1166.300000109.2
1017A40Very low50Low84 Ų84126.7 Ų126.769%0.69480%0.799SS**  trans-114.2150.5-166.300000113.3
1018Q37.3Very low48.9Very low191 Ų191127.5 Ų127.589%0.89380%0.802SS**  trans65.8139.8164.9-57.5162.714.400114.2
1019N38.1Very low48.3Very low149 Ų149127.6 Ų127.680%0.79780%0.803SS**  cis-155.717433.8-161.26.2000113
1020V36.3Very low46.8Very low121 Ų121130.2 Ų130.273%0.73381%0.809SS**  trans-53.5138.4-178.1172.50000115.6
1021T38.4Very low45.6Very low130 Ų130133.3 Ų133.380%0.79882%0.816SS**  -174.6133.3123.1-710000110.6
1022L45.1Very low44.4Very low162 Ų162132.2 Ų132.285%0.84881%0.811SS**PPolyproline II helixtrans-101.8141.7174.8-78.6167.8000111.6
1023P63.4Low44.3Very low109 Ų109132.1 Ų132.171%0.70881%0.808SS**PPolyproline II helixtrans-82.1156.517034.4-34.2000112.4
1024P53.2Low44.8Very low119 Ų119129.5 Ų129.577%0.77380%0.804SS**PPolyproline II helixtrans-80.4159.4177.233.7-35.9000113.2
1025P57.9Low44.2Very low116 Ų116132.9 Ų132.975%0.75381%0.809SS**PPolyproline II helixtrans-74.8149.5178.131.4-35.7000112.9
1026P61.8Low44.1Very low130 Ų130132.6 Ų132.684%0.84480%0.804SS**PPolyproline II helixtrans-75.7142.9177.931.4-34.7000112.3
1027S43.2Very low43.7Very low117 Ų117134.4 Ų134.482%0.81880%0.799SS**PPolyproline II helixtrans-91.7145.5174.9-490000111.9
1028T45.3Very low43.5Very low135 Ų135136.2 Ų136.283%0.82881%0.806SS**PPolyproline II helixtrans-79.1137.7176.542.70000112.5
1029P53.6Low43.1Very low118 Ų118135.7 Ų135.777%0.76681%0.806SS**PPolyproline II helixtrans-100.4132.8166.734.3-28.3000111.9
1030L36.1Very low43.1Very low170 Ų170137.2 Ų137.289%0.8981%0.811SS**PPolyproline II helixtrans-68.5133.2163.2-90.970.6000110
1031M38.9Very low43.1Very low185 Ų185139.9 Ų139.991%0.91182%0.815SS**  trans-142.2153.1151.9-77.2-153.973.300111.5
1032S38.2Very low42.7Very low109 Ų109143.1 Ų143.176%0.76282%0.819SS**PPolyproline II helixtrans-91.4158.2-165.2-49.40000113.9
1033P39.5Very low42.2Very low118 Ų118141 Ų14177%0.76682%0.818SS**PPolyproline II helixtrans-77.4143.2179.731.5-35.7000113
1034P52.1Low40.6Very low128 Ų128143.7 Ų143.783%0.83183%0.826SS**PPolyproline II helixtrans-85152.1165.934.5-32.7000111.9
1035I33.1Very low40.3Very low159 Ų159143.9 Ų143.982%0.81583%0.827SS**  trans-108.4165.5175.2-53.5170.8000108.2
1036V35.1Very low39.1Very low127 Ų127143.2 Ų143.277%0.7783%0.825SS**  trans116.9121.6150.8-1760000116.6
1037N31.2Very low37.9Very low145 Ų145142.6 Ų142.678%0.77582%0.821SS**  trans-42.2152.2167.5-41.7-30.3000115.7
1038S34.8Very low37.7Very low122 Ų122143.6 Ų143.685%0.85382%0.822SS**  176.6157.7107.3-78.30000115.8
1039M30.8Very low37Very low180 Ų180146 Ų14689%0.88782%0.824SS**  trans-52.6140.8179.7-52.2161.9175.400117
1040M37.3Very low36Very low182 Ų182149.6 Ų149.690%0.89783%0.833SS**  trans-158.1115.1130.8-68-155.4-174.900107.4
1041Q35.6Very low35.8Very low177 Ų177145.9 Ų145.983%0.82783%0.827SS**  68.6106.382.8-73.1-164.7-600117.1
1042F30.6Very low35.6Very low198 Ų198148.4 Ų148.487%0.86883%0.828SS**  trans20.2127.4152-62.4-87.4000121.7
1043S34.3Very low35.4Very low118 Ų118148 Ų14883%0.82583%0.825SS**  178.5148.7104.9-72.40000112.5
1044D29.9Very low35.2Very low164 Ų164150.4 Ų150.488%0.87783%0.832SS**  trans-68.8161.5173-69.2-55.8000113.3
1045P46.2Very low34.4Very low124 Ų124148.8 Ų148.881%0.80583%0.829SS**  -135.4154.612337.6-28.4000115.9
1046S34Very low34.5Very low101 Ų101148.6 Ų148.671%0.70684%0.835SS**  trans-45.7147.8177.9-178.50000116
1047P36.4Very low34.5Very low118 Ų118147.2 Ų147.277%0.76683%0.831SS**  trans-65.3157.216630.8-36.6000111.8
1048T37.8Very low34.7Very low137 Ų137144.7 Ų144.784%0.8483%0.831SS**  trans-146143.4166.1-68.50000108.7
1049Q30.8Very low34.9Very low186 Ų186145.3 Ų145.387%0.86982%0.824SS**  trans-70.4135.9-171.7-62.9168.7-12.300112.7
1050M34Very low35.2Very low193 Ų193145.5 Ų145.595%0.95182%0.821SS**  trans-139.4129.6141.2-104.7-176.3-81.400108
1051A32Very low35.1Very low93 Ų93142.5 Ų142.577%0.76981%0.813SS**  trans-100.8132.6-177.100000110.2
1052Y34.9Very low35.4Very low238 Ų238140 Ų14093%0.93380%0.803SS**  trans-133137.7155.7-101.8-86.1000108.6
1053S34Very low35.5Very low100 Ų100139.3 Ų139.370%0.69980%0.803SS**  trans-102137.3-175.153.50000110.9
1054D35.1Very low35.5Very low168 Ų168144.1 Ų144.190%0.89882%0.818SS**  -152144.2126.5-98.6-36.1000109.3
1055A34.2Very low35.8Very low94 Ų94143.2 Ų143.278%0.77782%0.815SS**  trans-128.5109.9-164.800000112
1056V35.1Very low35.2Very low155 Ų155144.2 Ų144.294%0.93982%0.816SS**  trans-131.366.6170.6-167.80000110
1057S34.9Very low35.3Very low98 Ų98146.6 Ų146.669%0.68582%0.822SS**  trans-139.6119.6155.8-1740000107.8D1059S1057-D1059 PolarHBondContact O-N 3.18Å
1058A35.2Very low35.3Very low93 Ų93148.2 Ų148.277%0.76983%0.825SS**  trans-96.469-17400000111.1F1060A1058-F1060 PolarHBondContact O-N 2.9Å
1059D39.3Very low35.1Very low135 Ų135148.9 Ų148.972%0.72282%0.824SS**  trans-65.797.5173.7-79.3-59.8000110.9S1057 T1061S1057-D1059 PolarHBondContact O-N 3.18Å; D1059-T1061 PolarHBondContact O-N 3.16Å
1060F37.3Very low35.4Very low184 Ų184146.5 Ų146.581%0.80782%0.821SS**  trans-77.563.5-177.7-122.3-81.5000112.2A1058 I1062A1058-F1060 PolarHBondContact O-N 2.9Å; F1060-I1062 HydrophobicContact CD1-CD1 4.18Å; F1060-I1062 HydrophobicContact CD1-CG1 4.03Å; F1060-I1062 HydrophobicContact CE1-CD1 4.48Å; F1060-I1062 PolarHBondContact O-N 3.28Å
1061T36Very low35.5Very low119 Ų119143.1 Ų143.173%0.7381%0.812SS**  trans-71.694.3171.9-60.10000109.8D1059D1059-T1061 PolarHBondContact O-N 3.16Å
1062I42Very low35.7Very low124 Ų124147 Ų14764%0.63682%0.816SS**  trans-85108.7166.5-62.2179000108.1F1060F1060-I1062 HydrophobicContact CD1-CD1 4.18Å; F1060-I1062 HydrophobicContact CD1-CG1 4.03Å; F1060-I1062 HydrophobicContact CE1-CD1 4.48Å; F1060-I1062 PolarHBondContact O-N 3.28Å
1063Q32.5Very low35.8Very low183 Ų183139.4 Ų139.486%0.85581%0.806SS**  trans-70.7132.3160.4-73.1-174.1-30.400109.6
1064L34.1Very low36Very low220 Ų220143 Ų143100%1.15282%0.815SS**  trans-147.70168.7-117.7173.9000109.6

Retrieved 1,064 of 1,064 residues in 190.9 ms (Link to these results)