A0A087YBT3_POEFO Loading...

CCR4-NOT transcription complex subunit 2

AlphaFold DB , UniProt , Accession A0A087YBT3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 520 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
1M45.9Very low34.6Very low227 Ų227179.8 Ų179.8100%1.11890%0.9SS**  0161.10-77.3-175.8177.300109
2F34.3Very low34.2Very low218 Ų218171 Ų17196%0.95689%0.888SS**  trans68.1128.2-168.7-49.9-77000114
3G32.5Very low33.8Very low77 Ų77163.5 Ų163.579%0.79488%0.878SS**  cis149.967.5-3.300000112.4
4A33.2Very low33.8Very low104 Ų104163.9 Ų163.986%0.8688%0.877SS**  trans-87126-174.400000113.1
5T37.4Very low33.6Very low143 Ų143164.5 Ų164.588%0.87787%0.873SS**  trans-96.296.2173.636.10000111.7
6R34.6Very low33.4Very low244 Ų244161.4 Ų161.492%0.92187%0.868SS**  trans-75.1132162.2-92.6-178.5173.2168.5-1.2109.8
7K36.5Very low33.2Very low194 Ų194160.9 Ų160.984%0.84386%0.859SS**  trans-119.6111.9154.5-82.9-173.7173.8-179.60109.3
8K34.4Very low33.2Very low197 Ų197163.2 Ų163.286%0.85786%0.855SS**  trans-81.9147.1150.8-77.1-175171-172.20107.1
9F28.8Very low33.2Very low199 Ų199159.6 Ų159.687%0.87385%0.852SS**  trans-124154156.1-116.1-89.9000109.9
10M31.7Very low33.1Very low181 Ų181157.1 Ų157.189%0.89285%0.847SS**  trans-99.4149.4-156.3-161.1142.767.700111.9
11E30.8Very low33.2Very low194 Ų194157.3 Ų157.391%0.90785%0.848SS**  trans-82.2142.6179.3-173169.9-174.900111.2
12G30.2Very low32.6Very low74 Ų74153.5 Ų153.576%0.76383%0.833SS**  trans-177.6136.5172.200000107.2
13G28.5Very low32.5Very low73 Ų73147.8 Ų147.875%0.75382%0.819SS**  cis138.285.313.400000107
14I34.1Very low32.5Very low170 Ų170149.2 Ų149.287%0.87282%0.817SS**  trans-136.6127.6179.8-60.7-179000107.4
15E30.7Very low32.5Very low173 Ų173151.3 Ų151.381%0.80881%0.813SS**  trans-94.6155.1-178.4-62.3179.6122.900112.2
16S31.3Very low32.3Very low114 Ų114154.6 Ų154.680%0.79781%0.811SS**  trans67.6150.1149.5770000117.3
17E29.7Very low32.3Very low153 Ų153153.1 Ų153.172%0.71581%0.807SS**  cis-157.7176.55.1-155.3-175.3158.200109.6
18Y33Very low31.9Very low202 Ų202151.3 Ų151.379%0.79281%0.807SS**  trans99.5126.9162.3-78.8-84.7000122.6
19A33.4Very low31.8Very low95 Ų95149.8 Ų149.879%0.78580%0.802SS**  trans8199.2146.800000119.5
20S31.8Very low32Very low109 Ų109146.7 Ų146.776%0.76280%0.8SS**  trans-78.1139.6156.452.10000112.4
21D34.7Very low32.2Very low162 Ų162142.4 Ų142.487%0.86679%0.788SS**  trans174.8147151.1-91.5-13.9000106.5
22D32.5Very low32.6Very low148 Ų148142 Ų14279%0.79179%0.788SS**  cis-149.5178.3-22.1-175.817.8000106.6
23S32.8Very low32.7Very low97 Ų97147.7 Ų147.768%0.67879%0.792SS**  trans-80.6175.4-165.7-55.20000115.2
24S31.9Very low33.3Very low107 Ų107148.9 Ų148.975%0.74880%0.795SS**  trans84.9141.8164.392.30000115.6
25L34.6Very low33.9Very low148 Ų148146.8 Ų146.878%0.77579%0.792SS**  cis-143.7153.86.7-73.2168.6000112.5
26Y33.2Very low34.1Very low213 Ų213148 Ų14884%0.83580%0.798SS**  trans18.8128.2147.5-75.9-95.1000123
27Y34Very low34.3Very low212 Ų212153.7 Ų153.783%0.83180%0.801SS**  trans-6.2132.1148.9-85.9-94.2000119
28N28.6Very low34.7Very low157 Ų157150.4 Ų150.484%0.8480%0.801SS**  -153.8156109.7-138.5-30.4000114.6
29H32.2Very low34.8Very low164 Ų164148.4 Ų148.476%0.75980%0.804SS**  trans-82.3143179.2-125.5-96.4000111.1
30T33Very low34.9Very low134 Ų134152.8 Ų152.882%0.82281%0.805SS**  trans-122.6116166.7-40.30000110.9
31S35.6Very low35Very low92 Ų92154 Ų15464%0.64380%0.803SS**  trans-76.4137.7178.5-1790000111.6F33S31-F33 PolarHBondContact O-N 3.36Å
32M37.8Very low35.1Very low186 Ų186153.7 Ų153.792%0.91680%0.798SS**  trans-89.785.1171.2-69.7-152.3-150.800111.7
33F32.7Very low35.2Very low193 Ų193153.7 Ų153.785%0.84680%0.798SS**  trans-142.9128.2158.7-81.4-76.8000110.1S31S31-F33 PolarHBondContact O-N 3.36Å
34A41.3Very low35.1Very low97 Ų97153.9 Ų153.980%0.80280%0.799SS**PPolyproline II helixtrans-92.2139176.400000110.9
35P47.3Very low35Very low127 Ų127153.7 Ų153.783%0.82580%0.797SS**PPolyproline II helixtrans-83.3150.9-177.132.8-34.8000113.2
36H34.8Very low34.8Very low198 Ų198151.7 Ų151.792%0.91780%0.796SS**PPolyproline II helixtrans-61.8149.9169.8-79.3-89000112.3
37R34.8Very low34.7Very low233 Ų233146.7 Ų146.788%0.87979%0.792SS**  trans-125.9130.7161.6-162.6173.6-171.31522.8109.2
38A37.9Very low34.5Very low85 Ų85141.7 Ų141.770%0.70279%0.788SS**  trans-109.3148165.600000107.8
39D35.5Very low34.8Very low159 Ų159139.2 Ų139.285%0.8578%0.783SS**  trans-164.1158.9145.7-90.4-38.5000108.7
40K35.6Very low34.9Very low187 Ų187137.4 Ų137.481%0.81378%0.784SS**  trans-143.6149.9-162.3-169.8-169.7-177-168.10109.1
41D33.9Very low34.9Very low135 Ų135139.1 Ų139.172%0.72278%0.782SS**  trans134.7105.2160.9-70.5-12.6000110.4
42M36.6Very low34.8Very low156 Ų156141 Ų14177%0.76879%0.785SS**  89.4112.779.5-83-144.468.700113.3
43L34Very low34.5Very low148 Ų148136.5 Ų136.578%0.77577%0.771SS**  176.5137.9115.2-93.1169000113.2
44S31.2Very low34.6Very low101 Ų101134.8 Ų134.871%0.70677%0.766SS**  trans31.1143.2147.7540000122.5
45S30.7Very low34.1Very low102 Ų102138 Ų13871%0.71377%0.768SS**  cis-169.6158.815.841.10000114.4
46S29.7Very low33.2Very low106 Ų106135.1 Ų135.174%0.74176%0.762SS**  trans59.5146.6146.657.30000120.9
47S31Very low33.1Very low109 Ų109130.9 Ų130.976%0.76276%0.761SS**  cis179.9135.3-15.6490000107.3
48S30.9Very low33Very low106 Ų106124.9 Ų124.974%0.74176%0.755SS**  -178.8124.498.346.20000110
49S33.8Very low32.7Very low106 Ų106128.9 Ų128.974%0.74176%0.764SS**  43.4121.6100.668.90000115.8
50T34Very low32.6Very low126 Ų126131.7 Ų131.777%0.77376%0.764SS**  -151135.663.935.20000113.1
51Q34.4Very low32.3Very low170 Ų170127 Ų12779%0.79476%0.76SS**  59.6139.4102.7-64.9-156-16.900116.8
52L33Very low33.4Very low132 Ų132126.2 Ų126.269%0.69176%0.763SS**  cis-158.6155.53.9-150.676.9000111.2
53S31.6Very low33.2Very low90 Ų90127.4 Ų127.463%0.62977%0.766SS**  trans35.1150.7138.8-77.10000124.1
54Q33.4Very low33.1Very low157 Ų157125.3 Ų125.373%0.73476%0.764SS**  cis-177.4164.4-14.2-150.3166.9-14.900108.8
55L32.3Very low33.1Very low164 Ų164124.4 Ų124.486%0.85976%0.763SS**  trans67.7149.2167.1-53.3165.4000115.5
56G28.6Very low33.1Very low67 Ų67128.1 Ų128.169%0.69177%0.774SS**  cis143.2143.5-3.600000112.2
57A31.6Very low33.1Very low109 Ų109126.6 Ų126.690%0.90178%0.775SS**  trans79.2141.3172.100000119.3
58S33.7Very low33.1Very low108 Ų108131.5 Ų131.576%0.75578%0.783SS**  trans-78.3167.9172.7-41.30000111.9
59L31.4Very low34Very low169 Ų169131.9 Ų131.989%0.88578%0.783SS**  -167.9171.1115-124.185.6000114.7
60Y33.3Very low34.1Very low217 Ų217135.2 Ų135.285%0.85179%0.791SS**  trans-55.8143.5-178.5-96.1-118.3000118.4
61A30.1Very low34Very low89 Ų89140.7 Ų140.774%0.73680%0.797SS**  73.2158.4124.700000121.6
62P56.8Low33.7Very low118 Ų118136 Ų13677%0.76680%0.795SS**  trans-109.9165.4-159.841.2-33.1000114.5
63Q32.1Very low33.9Very low182 Ų182137.8 Ų137.885%0.8580%0.803SS**  trans-146.5162.7153.6-97.9-54.1-13.400113
64S30.7Very low33.9Very low103 Ų103140.6 Ų140.672%0.7281%0.811SS**  trans-103.9175.5-166.5-54.70000114.1
65A31.4Very low33.8Very low83 Ų83137.5 Ų137.569%0.68681%0.807SS**  trans97.2118.413900000121
66L31.7Very low33.9Very low179 Ų179135.6 Ų135.694%0.93781%0.807SS**  trans77133.9139.1-61164.6000121.3
67G28.6Very low34.1Very low75 Ų75137.3 Ų137.377%0.77382%0.815SS**  trans137.691.415200000117.7
68F32.4Very low34.1Very low211 Ų211136.7 Ų136.793%0.92581%0.81SS**  trans-78.9-174.2162.9-65.2-84.8000111.5
69P49.9Very low34.7Very low115 Ų115137.3 Ų137.375%0.74781%0.811SS**  cis-132.9168.3-1930-10.7000115.1
70I34.7Very low34.5Very low176 Ų176137.8 Ų137.890%0.90381%0.809SS**  trans-138.2147.8150.3-70.2-167.8000111.6
71R32.6Very low34.3Very low241 Ų241135.4 Ų135.491%0.90981%0.81SS**  trans-77.3150.1-174.8-87.5171.8160163.2-7116.3
72G28.5Very low34.2Very low72 Ų72136.9 Ų136.974%0.74282%0.815SS**  trans86.5143.813300000116.8
73I36Very low32.9Very low169 Ų169143.3 Ų143.387%0.86782%0.824SS**  cis-153.315433.1-76.3161.1000111.2
74N31.8Very low32.7Very low148 Ų148140 Ų14079%0.79182%0.82SS**  trans-16.5158.3157.8-93.3-0.5000119.6
75S32.6Very low32.5Very low93 Ų93140.2 Ų140.265%0.6582%0.822SS**  cis-166.5150.68.5-94.70000110.9
76S33.3Very low32.4Very low123 Ų123143.8 Ų143.886%0.8683%0.829SS**  -179.4134.312934.80000115.2
77A33.4Very low32.3Very low104 Ų104141.7 Ų141.786%0.8682%0.824SS**  trans16.8118.4160.800000122.2
78A32Very low32.6Very low95 Ų95146.8 Ų146.879%0.78583%0.827SS**  trans-92.3-177.5154.600000109.3
79P45.5Very low33.1Very low121 Ų121142.9 Ų142.979%0.78682%0.823SS**  cis-138.2159.318.639.7-19.9000118.8
80Q28Very low32.2Very low179 Ų179142.5 Ų142.584%0.83683%0.83SS**  trans-96.8150.7153.7-88.1-78.9-43.200109.4
81L28.9Very low32Very low168 Ų168138 Ų13888%0.8883%0.826SS**  trans-94.4129.1173.2-81.1162.6000110.3
82S28.2Very low31.8Very low120 Ų120135.7 Ų135.784%0.83983%0.826SS**  trans-128.6136.6171.3-68.50000110.5
83R28.6Very low31.9Very low253 Ų253140.6 Ų140.696%0.95583%0.834SS**  trans-86.8142.1177.2-70.1173.7166.4177-4.4111.2
84S28.1Very low31.5Very low111 Ų111137.1 Ų137.178%0.77683%0.825SS**  trans-163.7151.1149.448.80000113.9
85S25.8Very low31.3Very low109 Ų109137.6 Ų137.676%0.76283%0.828SS**  trans64.3106.5154.558.70000122.3
86L29.2Very low31.4Very low158 Ų158140.9 Ų140.983%0.82783%0.832SS**  58.6118.5108.6-156.481000120.6
87T29.7Very low31.3Very low134 Ų134140.2 Ų140.282%0.82282%0.823SS**  169.9154.111732.40000112.8
88Q34.9Very low31.1Very low182 Ų182140.6 Ų140.685%0.8582%0.82SS**  trans-78.8166.1170.5-67.8179.4-18.800111.3
89P42.9Very low31.1Very low130 Ų130142.5 Ų142.584%0.84482%0.822SS**  -141.6172.8103.737-23.3000115.2
90A31.5Very low31Very low107 Ų107142.3 Ų142.388%0.88482%0.821SS**  trans-90.1164.2-178.700000113.8
91G31.2Very low31.2Very low80 Ų80141 Ų14183%0.82582%0.819SS**  trans-150.3130.6169.800000111.9
92Q28.3Very low31.4Very low193 Ų193138.6 Ų138.690%0.90282%0.817SS**  trans-88.3160.2176.3-63.2171.7-4300111.2
93L29.7Very low31.7Very low176 Ų176136.4 Ų136.492%0.92181%0.812SS**  trans-162.6159.6140.3-108163.6000112
94S28.2Very low32Very low96 Ų96130.5 Ų130.567%0.67181%0.807SS**  trans-98.9168.5-153.8-45.50000115.1
95N26.7Very low32.3Very low158 Ų158132.6 Ų132.685%0.84581%0.809SS**  trans-153.5157.4155.9-127.2-1.6000115.4
96H35.2Very low32.7Very low161 Ų161135.9 Ų135.975%0.74581%0.812SS**  trans-153.7148.9-169.1-79.9-63.8000109
97T30.5Very low33.2Very low110 Ų110133.9 Ų133.968%0.67581%0.806SS**  cis-159.5-177.9-5.3-81.90000106.7
98S29.1Very low33.4Very low112 Ų112133.1 Ų133.178%0.78380%0.804SS**  trans105.6103.5155.5-50.30000117.6
99T32Very low33.1Very low135 Ų135130 Ų13083%0.82880%0.802SS**  trans-104.1166.1161.557.50000108
100P45Very low32.8Very low117 Ų117129.6 Ų129.676%0.7680%0.802SS**  -147.6-172.351.347.6-27.1000113.6
101N31Very low33Very low151 Ų151130.4 Ų130.481%0.80780%0.798SS**  cis-154.1142.1-5.6-150.2-5000109.5
102S33.5Very low32.9Very low118 Ų118134.5 Ų134.583%0.82580%0.801SS**  trans154.612314051.90000114.2
103G34Very low33.3Very low73 Ų73136.8 Ų136.875%0.75380%0.802SS**  trans86.3103.5161.700000117.1
104P36.2Very low33.2Very low130 Ų130132.5 Ų132.584%0.84479%0.791SS**  trans-82.3127.5173.232-32000112.5
105L34.6Very low33.2Very low154 Ų154133.2 Ų133.281%0.80680%0.797SS**  trans-70.6141.4159.7177.974.3000109.5
106H33Very low33.5Very low178 Ų178133.3 Ų133.382%0.82480%0.796SS**  trans-157.4122.4148.1-107.9-70000113.1
107T41Very low33.3Very low117 Ų117132.6 Ų132.672%0.71879%0.794SS**  trans-70.7155.1155.648.60000109.9
108P33.8Very low33.6Very low118 Ų118133.6 Ų133.677%0.76680%0.803SS**  -143.5155.3120.936.2-22.2000116.1
109S27.4Very low33.7Very low115 Ų115134.3 Ų134.380%0.80480%0.797SS**  trans11.5141.4146.1-48.40000122.3
110S36.4Very low33.5Very low122 Ų122134.8 Ų134.885%0.85380%0.8SS**  trans-53152.2168.8-39.50000115.1
111P35.8Very low32.9Very low124 Ų124134 Ų13481%0.80580%0.797SS**  trans-133.2134.7140.934.9-22.6000113.9
112N29.5Very low32.9Very low167 Ų167131.8 Ų131.889%0.89379%0.794SS**  trans-74.5130.8155.5-85.3-39.6000109.4
113R36.2Very low32.7Very low241 Ų241137.3 Ų137.391%0.90980%0.796SS**  171.9135.2113.3-120.8-169.7165.8-169.1-3.8115.2
114A29Very low32.5Very low85 Ų85138.8 Ų138.870%0.70280%0.795SS**  trans48.6125.413200000123.1
115S28Very low32.3Very low112 Ų112138.7 Ų138.778%0.78379%0.792SS**  -106.3153.1120.6560000106.8
116I33.3Very low32.1Very low160 Ų160139.5 Ų139.582%0.82180%0.796SS**  cis-146.3158.635.5-72.9172.5000109.6
117M30Very low31.9Very low145 Ų145137.5 Ų137.571%0.71479%0.792SS**  trans-85.3171.6176.6-58.7-164.3-74.800113.4L119M117-L119 HydrophobicContact CE-CD1 3.79Å; M117-L119 HydrophobicContact SD-CD1 3.81Å; M117-L119 HydrophobicContact SD-CG 4.33Å
118P36.8Very low31.5Very low132 Ų132139.5 Ų139.586%0.85779%0.792SS**  -136.1161.186.424.6-5.2000115.1
119L30.6Very low31.2Very low127 Ų127140.3 Ų140.367%0.66579%0.79SS**  trans-90.9146.2170.9-63.6113.3000111.3M117M117-L119 HydrophobicContact CE-CD1 3.79Å; M117-L119 HydrophobicContact SD-CD1 3.81Å; M117-L119 HydrophobicContact SD-CG 4.33Å
120T29.5Very low31.5Very low144 Ų144142.8 Ų142.888%0.88379%0.789SS**  -154.9125.6121.946.20000110.8
121S31.2Very low31.2Very low101 Ų101145.1 Ų145.171%0.70679%0.787SS**  trans-67.9168.7172.4-47.90000111.4
122S30.5Very low31Very low105 Ų105145.9 Ų145.973%0.73479%0.789SS**  cis-169170.732.2-41.20000113.9
123R29.9Very low31Very low233 Ų233141.4 Ų141.488%0.87978%0.782SS**  trans8686.4150.8-71-178.2177.1-163.4-1.8121.4
124S30.9Very low30.5Very low105 Ų105133.5 Ų133.573%0.73478%0.775SS**  56.2111.8102.6-59.60000122.7
125V31.6Very low31.7Very low128 Ų128134.9 Ų134.978%0.77678%0.777SS**  36.2134.3129.3-66.30000120.3
126L30.1Very low31.7Very low171 Ų171136.4 Ų136.490%0.89578%0.782SS**  -160.2175.673.7-128.4106.9000116.2
127N29.3Very low31.6Very low136 Ų136132.3 Ų132.373%0.72778%0.779SS**  trans-106.9143.2-172.5167.431000111.6
128H31.4Very low31.7Very low158 Ų158133.9 Ų133.973%0.73179%0.785SS**  trans-175.9159.6133.8-152.555.6000114.9
129N28.8Very low31.4Very low135 Ų135134.2 Ų134.272%0.72279%0.785SS**  trans-80.7153.6171.7-91.1-22.7000113.3
130Q33Very low31.4Very low168 Ų168131.9 Ų131.979%0.78579%0.792SS**  158.2131.8117.5-87.4-172.283.600114.1
131Q30.8Very low31.5Very low170 Ų170129.3 Ų129.379%0.79479%0.793SS**  28.2143.8126.1-138.782.73.900122.1
132V30.7Very low31.6Very low141 Ų141127.8 Ų127.886%0.85579%0.794SS**  trans109.7125.3149.9-1770000117.7
133G29Very low31.8Very low73 Ų73130 Ų13075%0.75379%0.793SS**  trans102.3114.8141.900000118.4
134G27.1Very low32.2Very low74 Ų74129 Ų12976%0.76379%0.789SS**  trans-97.9-158.3148.500000110
135P53.5Low32.3Very low115 Ų115128.2 Ų128.275%0.74780%0.797SS**  cis-135.6-150.2-7.736.4-14000112.3
136T28.5Very low32.4Very low143 Ų143126 Ų12688%0.87780%0.8SS**  trans82.3146.9161.348.90000122
137G31Very low32.6Very low74 Ų74122 Ų12276%0.76380%0.8SS**  trans105.681-179.900000112.9
138Q32.1Very low32.8Very low178 Ų178118.4 Ų118.483%0.83280%0.795SS**  cis80.9132.148.8-149.5-168.189.200113.9
139T30.9Very low33Very low139 Ų139118.4 Ų118.485%0.85381%0.807SS**  trans65.8142.3175.572.70000118.1
140G30.5Very low33.3Very low79 Ų79115.1 Ų115.181%0.81481%0.805SS**  cis162.7163.9-12.300000113.9
141G30.6Very low33.5Very low89 Ų89119.1 Ų119.192%0.91881%0.813SS**  trans106.6138.9154.300000119.3
142G32.7Very low33.7Very low70 Ų70116.5 Ų116.572%0.72281%0.813SS**  trans104.385169.800000114.4
143E36.3Very low33.9Very low151 Ų151113 Ų11371%0.70681%0.805SS**  65.2136.174.9-60.5-153.9130.500114.1
144R37.3Very low34.1Very low213 Ų213115.7 Ų115.780%0.80481%0.807SS**  cis-166.4146.62.4-117175.3-157.5-173.116111.1
145G32.8Very low34.5Very low87 Ų87121.3 Ų121.390%0.89782%0.816SS**  trans70151.7149.200000119.7
146G34.7Very low33.5Very low81 Ų81119.4 Ų119.484%0.83582%0.817SS**  cis164.1141.7-8.900000113.7
147G33.4Very low33.7Very low87 Ų87118.4 Ų118.490%0.89782%0.816SS**  trans81.6144.3169.400000116.5
148G33.5Very low34.7Very low62 Ų62120.5 Ų120.564%0.63982%0.816SS**  cis165.3152-8.700000113.3
149T36.6Very low34.7Very low157 Ų157117.1 Ų117.196%0.96381%0.812SS**  trans65.6144.5168.3700000117.9
150G35Very low34.9Very low66 Ų66121.9 Ų121.968%0.6881%0.814SS**  cis160.9167.9-8.900000113
151R36.2Very low35Very low253 Ų253123.4 Ų123.496%0.95581%0.813SS**  trans76.2150.4169.5-56.3178.8172.9-149.3-4.1117.1
152S36.5Very low35Very low115 Ų115124 Ų12480%0.80480%0.803SS**  cis-173137.3-19.9173.10000111.9
153G33Very low35.8Very low67 Ų67127.3 Ų127.369%0.69181%0.811SS**  trans83.6156148.300000119.2
154T33.6Very low35.6Very low129 Ų129125 Ų12579%0.79181%0.812SS**  cis-159.8135.6-5.535.10000112.8
155M35.9Very low35.6Very low193 Ų193122.5 Ų122.595%0.95181%0.813SS**  trans43.3136.3141-59.5-171.1178.600123.9
156G32.4Very low35.9Very low75 Ų75125.9 Ų125.977%0.77381%0.809SS**  trans171.191157.900000115.4
157S32.3Very low35.6Very low121 Ų121125.4 Ų125.485%0.84680%0.804SS**  trans-144150.1170.1-57.80000108.7
158P52Low35.7Very low118 Ų118129.8 Ų129.877%0.76680%0.803SS**  -144147.877.825.5-2.3000114.3
159S32.7Very low36Very low107 Ų107132 Ų13275%0.74881%0.807SS**  94.213859.398.90000115.8
160R34.3Very low36.1Very low239 Ų239134.2 Ų134.290%0.90280%0.803SS**  trans103125.8-178.3-67.1-179170.4-116.7-0.8114.4
161S33.3Very low35.9Very low112 Ų112139.5 Ų139.578%0.78381%0.81SS**  cis-148.8151.57-37.90000111.7
162S30.6Very low35.7Very low102 Ų102136.4 Ų136.471%0.71381%0.806SS**  trans-104.3173.2166-48.90000110.3
163P50.4Low35.2Very low138 Ų138135.5 Ų135.590%0.89681%0.806SS**  -130.1167.275.817.44.4000115
164S31.6Very low34.9Very low103 Ų103143.3 Ų143.372%0.7281%0.814SS**  trans-117.9157.1-167.3-46.70000113.2
165I36.6Very low34.6Very low161 Ų161146.4 Ų146.483%0.82682%0.817SS**  trans172.1130.7155.6-102.4158.3000105.9
166I39.3Very low34Very low158 Ų158142.3 Ų142.381%0.8181%0.808SS**  cis-142136.10.3-87.9153.7000105.1
167G28.8Very low34Very low71 Ų71148.9 Ų148.973%0.73282%0.815SS**  132.4134.388.500000110.9
168M35.5Very low33.7Very low179 Ų179150.6 Ų150.688%0.88282%0.815SS**  trans-94.5-173.9-167-69.5169.669.400113.1
169P39.4Very low32.7Very low109 Ų109156.2 Ų156.271%0.70882%0.821SS**  cis-132.4178.6-48.134.7-18.5000113.7
170K38.6Very low32.6Very low203 Ų203158.4 Ų158.488%0.88382%0.824SS**  trans-80.5140.4159.4-79.4176.3171.9174.30111.9
171Q30.7Very low32.8Very low176 Ų176152.4 Ų152.482%0.82282%0.816SS**  trans-161.5117.7142.9-106.3169.4-7.200107.5
172Q32.5Very low32.5Very low189 Ų189150.2 Ų150.288%0.88381%0.811SS**  46.396.394.7-84.4-172.3-20.500115
173A25.1Very low32.4Very low96 Ų96156 Ų15679%0.79382%0.824SS**  trans-158.3154.2147.300000111.9
174R27.2Very low31.5Very low230 Ų230155.6 Ų155.687%0.86881%0.814SS**  trans-69.6151.3-178.7-61.8163.5165.7174.3-7.3113.4
175F27.3Very low31.3Very low194 Ų194159.6 Ų159.685%0.85182%0.824SS**  trans-135.3121.2145-67-83.7000105.8
176S24Very low30.9Very low108 Ų108156 Ų15676%0.75581%0.812SS**  58.689.852.4-69.70000113.4
177F31.5Very low30.3Very low213 Ų213156.7 Ų156.793%0.93482%0.818SS**PPolyproline II helixtrans-79.6116.3162-76.2-84000109.4
178N27Very low30.4Very low157 Ų157157.9 Ų157.984%0.8482%0.815SS**PPolyproline II helixtrans-84.3116.1176.1-155.339.7000109.6
179R30.9Very low30.3Very low235 Ų235157.7 Ų157.789%0.88782%0.817SS**PPolyproline II helixtrans-72.2145.8164.6-81.3-179.2170.2-179.7-3.5109.1
180N29.4Very low29.9Very low153 Ų153158.8 Ų158.882%0.81882%0.821SS**  trans-126.1156.9158.6-13231.2000108.1
181P40.1Very low29.5Very low114 Ų114154.6 Ų154.674%0.7482%0.818SS**  trans-122163.6-138.529.7-10.9000115.3
182G25.8Very low29.5Very low65 Ų65153.7 Ų153.767%0.6782%0.819SS**  trans75.1106.1140.300000118.4
183F29.6Very low29.7Very low225 Ų225152.6 Ų152.699%0.98782%0.817SS**  -129129.2108.6-100.1-83.6000108.4
184N29.6Very low29.9Very low128 Ų128158.2 Ų158.268%0.68482%0.824SS**  trans-130.8132.2176.7-178.619.1000107.4
185M27.7Very low30Very low188 Ų188155.1 Ų155.193%0.92683%0.825SS**  trans-134.1102.2162.1-15975.5170.500106.1
186S29.1Very low30.1Very low84 Ų84148.3 Ų148.359%0.58781%0.809SS**  trans-66.5148.9-172.7-49.90000111.9
187N27.6Very low30.7Very low173 Ų173150.1 Ų150.193%0.92582%0.816SS**  trans-129.2122.5137.6-144.913.1000108
188S30.4Very low30.7Very low96 Ų96148 Ų14867%0.67181%0.814SS**  trans-103.3121.7-162.6530000112.3
189L31.9Very low31.3Very low176 Ų176143.7 Ų143.792%0.92181%0.808SS**  trans-132.1142.3147.5-73.5178.6000108.9
190T32.2Very low31.4Very low131 Ų131137.9 Ų137.980%0.80480%0.803SS**  trans-100.1130.4-158.1-47.20000111.7
191S30.2Very low32Very low115 Ų115139.7 Ų139.780%0.80481%0.807SS**  trans-138.766.5171.455.50000113.1
192N30.3Very low31.8Very low158 Ų158141.8 Ų141.885%0.84581%0.811SS**  trans-101.381163.9-86.1-18.6000109.9
193I37.1Very low32.7Very low166 Ų166145.4 Ų145.485%0.85182%0.82SS**  trans-141.686.7164.8-51.6179.7000109.4
194F29.8Very low33.4Very low213 Ų213140.9 Ų140.993%0.93481%0.811SS**  trans-155.684.8159.3-146.8-87.8000111.6
195N28.6Very low34Very low166 Ų166138.3 Ų138.389%0.88882%0.815SS**  trans-162.2138.2160-168.736.4000111.1
196G28.7Very low35.3Very low51 Ų51137.1 Ų137.153%0.52681%0.811SS.*  trans80.7115.1-179.800000112.8
197T36.3Very low36.6Very low145 Ų145138 Ų13889%0.8981%0.81SS**  65.3133.859.8720000114.2
198D31.5Very low38Very low168 Ų168135.9 Ų135.990%0.89880%0.797SS**  trans88.9139.4-173.2-153.52000114.6
199G40.8Very low39.6Very low68 Ų68135.5 Ų135.570%0.70179%0.794SS**  trans-98.2126-170.300000112.1
200S32.9Very low41.1Very low113 Ų113133.2 Ų133.279%0.7978%0.783SS**  trans-145.9133.9158.854.40000110.2N202S200-N202 PolarHBondContact O-N 3.06Å
201E40.9Very low42.8Very low191 Ų191133.2 Ų133.289%0.89377%0.772SS**  trans-77.3104.1179.3-62.1178.7149.700109.4
202N37.3Very low44.3Very low157 Ų157132.6 Ų132.684%0.8477%0.766SS**  trans-157.692.6160.7-91.2-48.5000109.4S200S200-N202 PolarHBondContact O-N 3.06Å
203V43.3Very low45.5Very low142 Ų142129.6 Ų129.686%0.86176%0.763SS**  trans-70.1129.6174.1176.20000109G205V203-G205 PolarHBondContact O-N 3.42Å
204T45.6Very low46Very low130 Ų130127 Ų12780%0.79875%0.75SS**  trans-62.4102.6171.549.40000109.9L206T204-L206 PolarHBondContact O-N 3.14Å
205G42.5Very low47.2Very low73 Ų73119.2 Ų119.275%0.75373%0.725SS**PPolyproline II helixtrans-64.1129.8177.400000111.6V203V203-G205 PolarHBondContact O-N 3.42Å
206L55Low47.9Very low163 Ų163117.9 Ų117.985%0.85372%0.718SS**PPolyproline II helixtrans-72.9129169.1-66.1170.1000108.9T204 L208T204-L206 PolarHBondContact O-N 3.14Å; L206-L208 PolarHBondContact O-N 2.91Å
207D54.9Low48.8Very low104 Ų104126.6 Ų126.656%0.55674%0.735SS**PPolyproline II helixtrans-75.4116.8177.1-169-10000110.2S209D207-S209 PolarHBondContact O-N 3.35Å; D207-S209 WeakPolarHBondContact OD1-CB 3.08Å; D207-S209 PolarHBondContact OD1-N 3.38Å; D207-S209 PolarHBondContact OD1-OG 3.13Å
208L58.1Low49.1Very low128 Ų128124.3 Ų124.367%0.6773%0.725SS**G310 helixtrans-76.1-3.6-179.9-71.5163.6000112.9L206 D210 F211L206-L208 PolarHBondContact O-N 2.91Å; L208-D210 PolarHBondContact O-N 3.25Å; L208-F211 PolarHBondContact O-N 3.04Å
209S64.6Low49.7Very low87 Ų87126.6 Ų126.661%0.60872%0.721SS**G310 helixtrans-63.2-28.6173.7-53.40000113.1D207 F211D207-S209 PolarHBondContact O-N 3.35Å; D207-S209 WeakPolarHBondContact OD1-CB 3.08Å; D207-S209 PolarHBondContact OD1-N 3.38Å; D207-S209 PolarHBondContact OD1-OG 3.13Å; S209-F211 VanDerWaalsContact C-N 3.28Å; S209-F211 PolarHBondContact O-N 3.19Å
210D62.8Low49.8Very low128 Ų128134.3 Ų134.368%0.68473%0.729SS**G310 helixtrans-77-7.6-176.7-76.1-23.4000114.1L208L208-D210 PolarHBondContact O-N 3.25Å
211F67.4Low49.8Very low131 Ų131136.6 Ų136.658%0.57573%0.732SS**  trans-127.774.9-178.3-66.6-85.8000113.3L208 S209 A213 L214L208-F211 PolarHBondContact O-N 3.04Å; S209-F211 VanDerWaalsContact C-N 3.28Å; S209-F211 PolarHBondContact O-N 3.19Å; F211-A213 PolarHBondContact O-N 3.14Å; F211-L214 HydrophobicContact CB-CB 4.48Å; F211-L214 HydrophobicContact CB-CD1 4.1Å; F211-L214 HydrophobicContact CB-CG 4.38Å; F211-L214 PolarHBondContact O-N 3.04Å
212P61.2Low49.4Very low103 Ų103131.1 Ų131.167%0.66973%0.726SS**Hα-helixtrans-54.6-31.6-179.1-26.934.8000114.4L214 A215P212-L214 PolarHBondContact O-N 2.8Å; P212-A215 PolarHBondContact O-N 3.1Å
213A55.9Low49.4Very low94 Ų94129.7 Ų129.778%0.77773%0.729SS**Hα-helixtrans-67.6-13.6179.600000114.7F211F211-A213 PolarHBondContact O-N 3.14Å
214L48.1Very low48.9Very low113 Ų113128.6 Ų128.659%0.59273%0.727SS**Hα-helixtrans-104.2-27.9179.1-64.2177.9000113F211 P212 D216F211-L214 HydrophobicContact CB-CB 4.48Å; F211-L214 HydrophobicContact CB-CD1 4.1Å; F211-L214 HydrophobicContact CB-CG 4.38Å; F211-L214 PolarHBondContact O-N 3.04Å; P212-L214 PolarHBondContact O-N 2.8Å; L214-D216 VanDerWaalsContact C-N 3.34Å; L214-D216 PolarHBondContact O-N 2.87Å
215A54.4Low48.4Very low49 Ų49128.9 Ų128.941%0.40572%0.724SS.*Hα-helixtrans-62.6-37.9-17600000113.2P212 R217 S218P212-A215 PolarHBondContact O-N 3.1Å; A215-R217 VanDerWaalsContact C-N 3.27Å; A215-R217 PolarHBondContact O-N 2.93Å; A215-S218 PolarHBondContact O-N 3.45Å; A215-S218 VanDerWaalsContact O-N 3.13Å; A215-S218 PolarHBondContact O-OG 3.39Å
216D43.2Very low48.4Very low137 Ų137130.6 Ų130.673%0.73372%0.722SS**G310 helixtrans-70.6-16.6-169.8-119.6-2.8000114.7L214 S218L214-D216 VanDerWaalsContact C-N 3.34Å; L214-D216 PolarHBondContact O-N 2.87Å; D216-S218 PolarHBondContact O-N 3.38Å
217R48.5Very low47.6Very low234 Ų234128.4 Ų128.488%0.88372%0.716SS**G310 helixtrans-74.3-12.6173.6-74.4-174.6173.4-174.9-2.1113.7A215A215-R217 VanDerWaalsContact C-N 3.27Å; A215-R217 PolarHBondContact O-N 2.93Å
218S42.3Very low47.2Very low97 Ų97128.9 Ų128.968%0.67873%0.725SS**G310 helixtrans-95-5.3-175.568.70000115.1A215 D216A215-S218 PolarHBondContact O-N 3.45Å; A215-S218 VanDerWaalsContact O-N 3.13Å; A215-S218 PolarHBondContact O-OG 3.39Å; D216-S218 PolarHBondContact O-N 3.38Å
219R43.9Very low45.9Very low216 Ų216131.9 Ų131.982%0.81574%0.735SS**SBendtrans-107.711.5-166.2-79-170.6170-172.9-1116.5
220R42.8Very low44.3Very low230 Ų230135.1 Ų135.187%0.86875%0.745SS**SBendtrans-120.878.8173.9-162.6-177.5-88.8-169-2.9110.6
221D34.2Very low42.9Very low162 Ų162136 Ų13687%0.86675%0.749SS**SBendtrans176.2156.2134.4-86.7-22.1000111.9
222G32Very low42.1Very low75 Ų75134.6 Ų134.677%0.77375%0.754SS**  trans9073.8154.600000119S224G222-S224 PolarHBondContact O-N 3.32Å
223S35.8Very low40.7Very low127 Ų127137.5 Ų137.589%0.88876%0.763SS**  trans-74.3102.2155.6174.90000110.5
224S33.3Very low39.5Very low119 Ų119137.5 Ų137.583%0.83276%0.762SS**  trans170.3141139.742.50000111.8G222G222-S224 PolarHBondContact O-N 3.32Å
225N35.7Very low38.7Very low136 Ų136135.8 Ų135.873%0.72777%0.772SS**  trans-131.4152.1169.8-154.3-0.2000105.7T227N225-T227 PolarHBondContact OD1-N 2.87Å
226P42.3Very low37.6Very low110 Ų110145.4 Ų145.471%0.71480%0.798SS**  -150.9122.88536.2-16000116.8
227T37.5Very low37.1Very low117 Ų117142.9 Ų142.972%0.71880%0.796SS**  trans66.7155.4135.451.70000121.4N225N225-T227 PolarHBondContact OD1-N 2.87Å
228P46.8Very low36.9Very low114 Ų114137.6 Ų137.674%0.7479%0.792SS**  trans-111.3171.4-153.741.8-33.8000115.5
229Q31.9Very low36.3Very low191 Ų191144 Ų14489%0.89380%0.803SS**  trans-131.9154.4163.6-86.5-66-24.100111
230L30.2Very low35.7Very low154 Ų154139.7 Ų139.781%0.80680%0.8SS**  trans-114.6163.5-162.7-102.3157.7000113.1
231N33.4Very low35.2Very low146 Ų146132 Ų13278%0.78179%0.792SS**  trans85.8164.8151.9-113.621.3000118.7
232P51.6Low35.2Very low103 Ų103132.5 Ų132.567%0.66979%0.792SS**  -138-156.5-11142.3-21000113.8
233L30.4Very low35.6Very low164 Ų164135.7 Ų135.786%0.85980%0.796SS**  trans114144.3150.1-15474.3000117.8
234A31.9Very low35.9Very low93 Ų93135.5 Ų135.577%0.76979%0.789SS**  trans71.3100.715700000119.6
235G30Very low35.9Very low77 Ų77139 Ų13979%0.79479%0.789SS**  trans-82.6175.8173.300000117.1
236R32.4Very low35.9Very low252 Ų252138.7 Ų138.795%0.95180%0.795SS**  trans-161.3156.6147.6-126.7-173.5-177.6-123.43.8110
237A33.3Very low35.3Very low83 Ų83138.6 Ų138.669%0.68680%0.797SS**  trans-101.5-173.3172.500000110.8
238P43.2Very low35.1Very low123 Ų123138.7 Ų138.780%0.79980%0.802SS**  -107.5164-75.736.4-27.5000111
239Y29.8Very low34.6Very low233 Ų233142.3 Ų142.391%0.91481%0.809SS**  trans-118.9146.8172.7-156-94.7000112.2
240V31.4Very low34.7Very low125 Ų125141.8 Ų141.876%0.75881%0.807SS**  trans-102.6135.6-169.4-173.50000110.5
241G33.1Very low35.1Very low68 Ų68139 Ų13970%0.70180%0.8SS**  trans67.7101.6150.800000118.2
242M32.6Very low35.6Very low173 Ų173141.1 Ų141.185%0.85281%0.805SS**  trans-133.4127137.9-79.5-14174.100110.1T244M242-T244 PolarHBondContact O-N 3.48Å
243V40.6Very low34.9Very low142 Ų142142.7 Ų142.786%0.86181%0.808SS**  trans-75.9110.6169.8171.10000108.1
244T41.7Very low35.5Very low123 Ų123144.4 Ų144.476%0.75581%0.809SS**  trans-107.9126.7166.149.70000109.7M242M242-T244 PolarHBondContact O-N 3.48Å
245K34.4Very low36.3Very low192 Ų192144.2 Ų144.284%0.83580%0.802SS**PPolyproline II helixtrans-58.2141.7177.7-61.8166.4-179.8173.30109.5S247K245-S247 PolarHBondContact O-N 3.38Å
246P35.5Very low37.6Very low130 Ų130146.4 Ų146.484%0.84479%0.794SS**PPolyproline II helixtrans-65120.3173.727.1-32.8000109.8
247S30.7Very low38.8Very low108 Ų108141 Ų14176%0.75578%0.779SS**PPolyproline II helixtrans-67.5130.6162.943.20000109.1K245 E249K245-S247 PolarHBondContact O-N 3.38Å; S247-E249 PolarHBondContact O-N 2.91Å; S247-E249 VanDerWaalsContact O-N 3.13Å
248S33.1Very low39.7Very low118 Ų118145 Ų14583%0.82579%0.789SS**  trans-74.897.1-179.9530000111.5
249E34.7Very low40.4Very low190 Ų190147.8 Ų147.889%0.88879%0.792SS**PPolyproline II helixtrans-77.1120.3156.5-76.3-172.2133.200108.7S247 S251S247-E249 PolarHBondContact O-N 2.91Å; S247-E249 VanDerWaalsContact O-N 3.13Å; E249-S251 PolarHBondContact O-N 2.77Å
250Q35.1Very low41.5Very low181 Ų181143 Ų14385%0.84678%0.782SS**PPolyproline II helixtrans-71.1119.9171.1-77.4174.4-45.900109Q252Q250-Q252 PolarHBondContact O-N 2.99Å
251S37.9Very low42.6Very low94 Ų94145.3 Ų145.366%0.65778%0.782SS**PPolyproline II helixtrans-55.6124.9152.641.90000108.4E249 D253E249-S251 PolarHBondContact O-N 2.77Å; S251-D253 PolarHBondContact O-N 3.34Å
252Q43.3Very low43.8Very low191 Ų191147.9 Ų147.989%0.89379%0.786SS**  trans-72.580.6167.9-76.2-171.1-17.700109Q250Q250-Q252 PolarHBondContact O-N 2.99Å
253D38.4Very low44.6Very low136 Ų136144.3 Ų144.373%0.72779%0.785SS**  trans-68.8132.6166.9-99.6-53.9000110.2S251 S255S251-D253 PolarHBondContact O-N 3.34Å; D253-S255 VanDerWaalsContact C-N 3.32Å; D253-S255 PolarHBondContact O-N 3.47Å
254F43.5Very low44.8Very low201 Ų201145.3 Ų145.388%0.88278%0.784SS**  trans-72.884.8174-94-93.7000110.3I256F254-I256 PolarHBondContact O-N 3.3Å
255S46.9Very low44.5Very low89 Ų89145.6 Ų145.662%0.62279%0.788SS**  trans-8685.3177.8-159.90000111.2D253 H257D253-S255 VanDerWaalsContact C-N 3.32Å; D253-S255 PolarHBondContact O-N 3.47Å; S255-H257 PolarHBondContact O-N 3.34Å; S255-H257 VanDerWaalsContact O-N 3.14Å; S255-H257 PolarHBondContact O-ND1 3.23Å
256I59Low44.7Very low123 Ų123139.3 Ų139.363%0.63178%0.777SS**  trans-61.7114.8172.6-62.9174.1000108.7F254F254-I256 PolarHBondContact O-N 3.3Å
257H56Low45Very low138 Ų138138.6 Ų138.664%0.63977%0.773SS**  trans-89.8144.6170.5-72.454000109.1S255 E259 D260S255-H257 PolarHBondContact O-N 3.34Å; S255-H257 VanDerWaalsContact O-N 3.14Å; S255-H257 PolarHBondContact O-ND1 3.23Å; H257-E259 PolarHBondContact O-N 2.87Å; H257-D260 PolarHBondContact O-N 3.3Å
258N52.3Low45Very low167 Ų167141.2 Ų141.289%0.89378%0.778SS**THydrogen-bonded Turntrans-6410.5-166.2-85.1-2.5000117.5
259E58.4Low45.1Very low182 Ų182145.6 Ų145.685%0.8578%0.779SS**THydrogen-bonded Turntrans-119.2-5.2-178.1-61.9-80.7135.900112.7H257 F261H257-E259 PolarHBondContact O-N 2.87Å; E259-F261 PolarHBondContact O-N 2.77Å
260D53.3Low45Very low131 Ų131146 Ų14670%0.70178%0.78SS**  trans-85.342.7-173.3-159.122.2000113.9H257H257-D260 PolarHBondContact O-N 3.3Å
261F54.7Low44.8Very low174 Ų174144 Ų14476%0.76378%0.781SS**SBendtrans-138.4113.4167.9-88.5-84.7000109.7E259 A263E259-F261 PolarHBondContact O-N 2.77Å; F261-A263 PolarHBondContact O-N 3Å; F261-A263 VanDerWaalsContact O-N 3.16Å
262P57.7Low44.4Very low122 Ų122149 Ų14979%0.79279%0.791SS**PPolyproline II helixtrans-66.4117.8175.526.7-32.7000110L264P262-L264 PolarHBondContact O-N 2.97Å
263A48.5Very low43.7Very low99 Ų99147.3 Ų147.382%0.81879%0.788SS**PPolyproline II helixtrans-62134.4-178.300000112F261F261-A263 PolarHBondContact O-N 3Å; F261-A263 VanDerWaalsContact O-N 3.16Å
264L46.3Very low43.9Very low162 Ų162146.1 Ų146.185%0.84879%0.787SS**PPolyproline II helixtrans-65.6148.6176.4-68.7167.8000111.3P262 G266P262-L264 PolarHBondContact O-N 2.97Å; L264-G266 PolarHBondContact O-N 3.23Å; L264-G266 VanDerWaalsContact O-N 3.13Å
265P35.8Very low43.2Very low130 Ų130141.5 Ų141.584%0.84478%0.78SS**  trans-65.1114.2-174.5-20.733000113
266G37.2Very low42.3Very low59 Ų59141.9 Ų141.961%0.60878%0.783SS**PPolyproline II helixtrans-78151.2168.300000112.3L264L264-G266 PolarHBondContact O-N 3.23Å; L264-G266 VanDerWaalsContact O-N 3.13Å
267P41.6Very low41Very low116 Ų116143.4 Ų143.475%0.75379%0.792SS**PPolyproline II helixtrans-72.4132.7-179.728.8-33.8000112.4Y269P267-Y269 PolarHBondContact O-N 3.23Å
268N30.8Very low39.8Very low162 Ų162142.8 Ų142.887%0.86679%0.793SS**PPolyproline II helixtrans-60.3124.9-178.8-75.5-41.9000113.3
269Y35.1Very low38.8Very low211 Ų211141.9 Ų141.983%0.82778%0.782SS**  trans-125.7119.3155-74.4-80.4000109.3P267P267-Y269 PolarHBondContact O-N 3.23Å
270Q33Very low37.6Very low197 Ų197138.9 Ų138.992%0.92178%0.776SS**  trans-79124173-69.5179.9-5.700109.8
271T30.4Very low36.4Very low140 Ų140139 Ų13986%0.85978%0.776SS**  trans-141.1139.1158.2-37.10000108.8
272K29.8Very low35.4Very low200 Ų200137.9 Ų137.987%0.8778%0.778SS**  trans-88.2137.5-178.3-65.3173.3177.1175.90110.8
273D28.7Very low34Very low155 Ų155139.1 Ų139.183%0.82978%0.778SS**  trans-60.4169.3156.8-82.8-42.3000111.9
274P43.7Very low33.2Very low111 Ų111140 Ų14072%0.72178%0.778SS**  cis-140.4174.819.540.3-21.5000117.6
275S27.6Very low32.5Very low103 Ų103138.1 Ų138.172%0.7278%0.778SS**  144.1128.3114.570.80000117.9
276S29.5Very low32.3Very low98 Ų98135.8 Ų135.869%0.68578%0.778SS**  trans58.712414460.70000123.7
277D30.4Very low32Very low155 Ų155143 Ų14383%0.82979%0.792SS**  26.4140.4127.6-45.9-35.2000119.7
278D30.2Very low31.4Very low124 Ų124142 Ų14266%0.66379%0.794SS**  -173.2165.250.1-1587.5000113.8
279K33Very low31.4Very low149 Ų149140.3 Ų140.365%0.64880%0.795SS**  trans9.2128.9159.3-78.4175.4-147840126.6
280T33Very low31.4Very low118 Ų118135.7 Ų135.772%0.72479%0.794SS**  70.4137.1123.566.60000126.1
281N28.3Very low31.4Very low134 Ų134132.1 Ų132.172%0.71779%0.79SS**  trans94.4104.1134.6-89.1-10000123.8
282L33.2Very low32.1Very low151 Ų151130.8 Ų130.879%0.79179%0.793SS**  61.3116.1119.4-75.2174.8000122.9
283N28.6Very low32.5Very low148 Ų148127.6 Ų127.679%0.79179%0.786SS**  96.7114123.7-161.728.1000120.1
284S30.8Very low33.6Very low118 Ų118122.6 Ų122.683%0.82577%0.771SS**  trans-163.1153.8130.860.90000111.5
285S32.9Very low33.5Very low122 Ų122123.3 Ų123.385%0.85378%0.776SS**  trans-99.8143.6-172.251.20000113.5
286G31Very low34.4Very low81 Ų81124.8 Ų124.884%0.83577%0.769SS**  trans-154.3131.2175.800000112.3
287K30.2Very low34.9Very low209 Ų209128.7 Ų128.791%0.90977%0.774SS**  trans-72.5142-166.3-73.5171.6173.71730115.7
288A28.8Very low35.2Very low96 Ų96127.9 Ų127.979%0.79378%0.777SS**  trans54.1117.5135.100000121.3
289S31.1Very low36.1Very low126 Ų126125.4 Ų125.488%0.88178%0.781SS**  -163.9152112.245.70000111.1
290S35Very low36.7Very low115 Ų115124.3 Ų124.380%0.80478%0.782SS**  trans-89.2124.2-179.351.90000111.6
291S34.2Very low37.6Very low122 Ų122128.6 Ų128.685%0.85379%0.791SS**  trans-155.9131.2157.5-82.10000109.1
292A44.8Very low38.3Very low111 Ų111127.5 Ų127.592%0.91779%0.794SS**  trans-83.9119.7169.300000109.1
293D37.3Very low38.6Very low133 Ų133125.9 Ų125.971%0.71180%0.795SS**  trans-145.2138160.9-153.43.4000108.5K296D293-K296 IonicContact OD2-NZ 3.33Å
294G51.8Low38.9Very low50 Ų50123.1 Ų123.152%0.51579%0.793SS.*PPolyproline II helixtrans-80.8172.9-176.800000112.8K296G294-K296 PolarHBondContact O-N 3.06Å; G294-K296 VanDerWaalsContact O-N 3.12Å
295P41.9Very low39.6Very low127 Ų127124 Ų12483%0.82580%0.796SS**PPolyproline II helixtrans-62.9117.2175.226.5-33.1000110.4
296K46.7Very low39.9Very low134 Ų134123.8 Ų123.858%0.58379%0.794SS**PPolyproline II helixtrans-90.2119.4-169.1-155160.2-167.3148.40110.9D293 G294 D300D293-K296 IonicContact OD2-NZ 3.33Å; G294-K296 PolarHBondContact O-N 3.06Å; G294-K296 VanDerWaalsContact O-N 3.12Å; K296-D300 WeakPolarHBondContact CE-OD2 3.49Å; K296-D300 IonicContact NZ-OD2 3.55Å
297F40.7Very low40.4Very low179 Ų179127.5 Ų127.579%0.78580%0.795SS**PPolyproline II helixtrans-73.4152.5178.9-75.6-91.7000112.1G299F297-G299 PolarHBondContact O-N 3.33Å
298P35.9Very low41.1Very low139 Ų139124.7 Ų124.790%0.90379%0.79SS**THydrogen-bonded Turntrans-65.2101.6179.6-21.133.9000112.4
299G49.6Very low41.7Very low72 Ų72127.7 Ų127.774%0.74279%0.793SS**THydrogen-bonded Turntrans-178.6-2917900000115.1F297 K301F297-G299 PolarHBondContact O-N 3.33Å; G299-K301 PolarHBondContact O-N 3.2Å
300D44.5Very low42.9Very low126 Ų126130.5 Ų130.567%0.67479%0.792SS**  trans-76.2102.6-179-96.8-6.9000113K296K296-D300 WeakPolarHBondContact CE-OD2 3.49Å; K296-D300 IonicContact NZ-OD2 3.55Å
301K52.1Low43.7Very low207 Ų207132.7 Ų132.790%0.979%0.79SS**  trans-136.4126.1155.7-74.9-168.7177.5-178.90110.6G299G299-K301 PolarHBondContact O-N 3.2Å
302S42.3Very low44.6Very low111 Ų111136.9 Ų136.978%0.77679%0.792SS**  trans-82.9143179.944.30000113.3
303S40.6Very low45.5Very low117 Ų117137.4 Ų137.482%0.81877%0.774SS**  trans52.399.8152.959.90000120.1
304A34.9Very low47Very low91 Ų91133.5 Ų133.575%0.75277%0.765SS**  trans-149.9138.613900000109.2S306A304-S306 PolarHBondContact O-N 3.37Å
305P46.1Very low48.3Very low136 Ų136134.4 Ų134.488%0.88376%0.757SS**  trans-86.3102.2-178.332.9-31.6000111.2
306S37.8Very low49.9Very low117 Ų117131.6 Ų131.682%0.81873%0.733SS**  trans-136.7134.8166.3-77.90000110.2A304A304-S306 PolarHBondContact O-N 3.37Å
307N41.2Very low51.2Low159 Ų159127.3 Ų127.385%0.8572%0.718SS**SBendtrans-60.8158.1-178.2-89.7-33.3000113
308N45.9Very low53Low150 Ų150122.5 Ų122.580%0.80270%0.7SS**  trans61.678.7170.2-64.8-11.1000115.8
309N42.1Very low54.6Low159 Ų159122.5 Ų122.585%0.8570%0.7SS**  -148.6129.6125.2-102.2-43.3000110.1Q311N309-Q311 PolarHBondContact O-N 2.67Å
310Q55.1Low55.5Low186 Ų186123.8 Ų123.887%0.86969%0.69SS**  trans-61.1107.6168.1-70.9172-11.100107.2K312Q310-K312 PolarHBondContact O-N 3.06Å
311Q52.3Low56.6Low161 Ų161119 Ų11975%0.75267%0.671SS**  trans-54114.6162.8-73.8179.8-25.900106.3N309 K313N309-Q311 PolarHBondContact O-N 2.67Å; Q311-K313 PolarHBondContact O-N 2.75Å
312K53Low57.8Low209 Ų209117.4 Ų117.491%0.90966%0.659SS**  trans-68.269168.7-72.3-176.8177.91790108.4Q310 G314Q310-K312 PolarHBondContact O-N 3.06Å; K312-G314 PolarHBondContact O-N 3.26Å
313K63.3Low59.6Low122 Ų122113.2 Ų113.253%0.5363%0.629SS.*  trans-52.3126.8155.8-65.9-173.7177.7-175.30105.2Q311 Q316Q311-K313 PolarHBondContact O-N 2.75Å; K313-Q316 HydrophobicContact CB-CG 4.43Å; K313-Q316 VanDerWaalsContact CD-OE1 3.29Å
314G70Confident61.5Low51 Ų51110 Ų11053%0.52661%0.605SS.*  trans-63.7-166.2178.900000111.9K312 Q316K312-G314 PolarHBondContact O-N 3.26Å; G314-Q316 PolarHBondContact O-N 3.41Å
315I78.6Confident63.8Low69 Ų69110.2 Ų110.235%0.35459%0.593SS.*SBendtrans-50.1113.2176-58.1175000109.1V323 M330 L341I315-V323 HydrophobicContact CG2-CG1 3.25Å; I315-M330 HydrophobicContact CD1-CE 3.66Å; I315-M330 HydrophobicContact CD1-SD 3.65Å; I315-L341 HydrophobicContact CG2-CD2 4.19Å
316Q75.6Confident65.5Low68 Ų68106 Ų10632%0.31856%0.563SS.*EExtended strand (participates in β ladder)trans-108.4117.8-177.6-89.6170.1104.200109K313 G314 T324 N325K313-Q316 HydrophobicContact CB-CG 4.43Å; K313-Q316 VanDerWaalsContact CD-OE1 3.29Å; G314-Q316 PolarHBondContact O-N 3.41Å; Q316-T324 PolarHBondContact N-O 3.46Å; Q316-T324 PolarHBondContact O-N 3.43Å; Q316-T324 PolarHBondContact O-OG1 3.5Å; Q316-T324 VanDerWaalsContact O-OG1 3.08Å; Q316-N325 PolarHBondContact NE2-ND2 2.89Å
317V74.3Confident67.6Low45 Ų45104 Ų10427%0.27355%0.547SS..EExtended strand (participates in β ladder)trans-91.5124.8171.8-1650000108.7V323 L341 R345V317-V323 HydrophobicContact CG1-CG2 4.25Å; V317-V323 HydrophobicContact CG2-CG2 4.19Å; V317-L341 HydrophobicContact CG2-CD1 4.26Å; V317-L341 HydrophobicContact CG2-CD2 3.37Å; V317-L341 HydrophobicContact CG2-CG 3.7Å; V317-R345 HydrophobicContact CG1-CG 4.21Å
318L77.4Confident69.2Low77 Ų77103.9 Ų103.940%0.40355%0.551SS.*  trans-83.2157174.5-72.2152.4000110.2D320 G321 R322 T324L318-D320 WeakPolarHBondContact CB-OD1 3.46Å; L318-D320 PolarHBondContact O-N 3.49Å; L318-G321 PolarHBondContact O-N 3.49Å; L318-R322 WeakPolarHBondContact CB-O 3.48Å; L318-R322 HydrophobicContact CD1-CB 4.07Å; L318-R322 PolarHBondContact N-O 3.1Å; L318-T324 HydrophobicContact CD1-CG2 3.62Å
319P68.9Low71Confident139 Ų139100.9 Ų100.990%0.90356%0.556SS**THydrogen-bonded Turntrans-62.2-12177.3-23.834.8000115.1G321P319-G321 VanDerWaalsContact C-N 3.29Å
320D69.3Low72.9Confident99 Ų9996 Ų9653%0.52953%0.528SS..THydrogen-bonded Turntrans-89.310.117471.4-14.7000113.1L318 R322L318-D320 WeakPolarHBondContact CB-OD1 3.46Å; L318-D320 PolarHBondContact O-N 3.49Å; D320-R322 PolarHBondContact O-N 2.98Å; D320-R322 VanDerWaalsContact OD1-CB 3.29Å; D320-R322 WeakPolarHBondContact OD1-CB 3.35Å; D320-R322 WeakPolarHBondContact OD1-CG 3.45Å; D320-R322 PolarHBondContact OD1-N 2.94Å; D320-R322 WeakPolarHBondContact OD2-CD 3.45Å; D320-R322 WeakPolarHBondContact OD2-CG 3.38Å; D320-R322 IonicContact OD2-NE 2.72Å; D320-R322 PolarHBondContact OD2-NE 3.44Å
321G68.2Low74.4Confident27 Ų2790.7 Ų90.728%0.27851%0.509SS..SBendtrans78.1-1.3-178.100000114.5L318 P319L318-G321 PolarHBondContact O-N 3.49Å; P319-G321 VanDerWaalsContact C-N 3.29Å
322R76.4Confident76Confident173 Ų17387.9 Ų87.965%0.65350%0.503SS*.  trans-78.4134.1179.5-63.6-176.1-176.2-161.6-2.8111.4L318 D320L318-R322 WeakPolarHBondContact CB-O 3.48Å; L318-R322 HydrophobicContact CD1-CB 4.07Å; L318-R322 PolarHBondContact N-O 3.1Å; D320-R322 PolarHBondContact O-N 2.98Å; D320-R322 VanDerWaalsContact OD1-CB 3.29Å; D320-R322 WeakPolarHBondContact OD1-CB 3.35Å; D320-R322 WeakPolarHBondContact OD1-CG 3.45Å; D320-R322 PolarHBondContact OD1-N 2.94Å; D320-R322 WeakPolarHBondContact OD2-CD 3.45Å; D320-R322 WeakPolarHBondContact OD2-CG 3.38Å; D320-R322 IonicContact OD2-NE 2.72Å; D320-R322 PolarHBondContact OD2-NE 3.44Å
323V80Confident77.5Confident23 Ų2381.7 Ų81.714%0.13948%0.48CS..EExtended strand (participates in β ladder)trans-101.7127.1178.2-172.50000109.8I315 V317 I326 I338 T342I315-V323 HydrophobicContact CG2-CG1 3.25Å; V317-V323 HydrophobicContact CG1-CG2 4.25Å; V317-V323 HydrophobicContact CG2-CG2 4.19Å; V323-I326 HydrophobicContact CB-CD1 4.36Å; V323-I326 HydrophobicContact CG1-CD1 4.19Å; V323-I326 HydrophobicContact CG1-CG1 4.07Å; V323-I338 HydrophobicContact CB-CG2 3.86Å; V323-I338 HydrophobicContact CG1-CG1 4.18Å; V323-I338 HydrophobicContact CG1-CG2 4.05Å; V323-I338 HydrophobicContact CG2-CG2 4.01Å; V323-T342 WeakPolarHBondContact CG2-OG1 3.44Å
324T81.4Confident78.5Confident50 Ų5083 Ų8331%0.30749%0.488SS..EExtended strand (participates in β ladder)trans-126.9164.9-175.361.30000111.5Q316 L318 I326Q316-T324 PolarHBondContact N-O 3.46Å; Q316-T324 PolarHBondContact O-N 3.43Å; Q316-T324 PolarHBondContact O-OG1 3.5Å; Q316-T324 VanDerWaalsContact O-OG1 3.08Å; L318-T324 HydrophobicContact CD1-CG2 3.62Å; T324-I326 VanDerWaalsContact C-N 3.29Å; T324-I326 PolarHBondContact O-N 3.39Å
325N82.3Confident79.5Confident94 Ų9488.8 Ų88.850%0.50350%0.499SS..  trans60.639-176.7-53.7-84.5000112.6Q316Q316-N325 PolarHBondContact NE2-ND2 2.89Å
326I81.6Confident80Confident49 Ų4986 Ų8625%0.25149%0.487SS..PPolyproline II helixtrans-72.7125.5174.7-63.6162.8000108.9V323 T324 M330 T332 I338V323-I326 HydrophobicContact CB-CD1 4.36Å; V323-I326 HydrophobicContact CG1-CD1 4.19Å; V323-I326 HydrophobicContact CG1-CG1 4.07Å; T324-I326 VanDerWaalsContact C-N 3.29Å; T324-I326 PolarHBondContact O-N 3.39Å; I326-M330 HydrophobicContact CG2-CB 3.96Å; I326-M330 HydrophobicContact CG2-CG 4.37Å; I326-M330 HydrophobicContact CG2-SD 4.26Å; I326-T332 HydrophobicContact CD1-CG2 4.25Å; I326-T332 HydrophobicContact CG2-CG2 3.89Å; I326-I338 HydrophobicContact CB-CD1 4.17Å; I326-I338 HydrophobicContact CD1-CD1 3.77Å; I326-I338 HydrophobicContact CD1-CG1 4.2Å; I326-I338 HydrophobicContact CD1-CG2 4.19Å; I326-I338 HydrophobicContact CG1-CD1 3.67Å; I326-I338 HydrophobicContact CG1-CG1 4.13Å; I326-I338 HydrophobicContact CG2-CD1 3.45Å; I326-I338 VanDerWaalsContact CG2-CD1 3.45Å
327P82.3Confident80.6Confident75 Ų7589 Ų8949%0.48750%0.502SS..PPolyproline II helixtrans-60.8140.5176.1-24.735.1000112.9G329 M330P327-G329 PolarHBondContact O-N 2.95Å; P327-M330 VanDerWaalsContact O-CB 3.28Å; P327-M330 WeakPolarHBondContact O-CB 3.44Å; P327-M330 PolarHBondContact O-N 3.19Å; P327-M330 VanDerWaalsContact O-N 3.1Å
328V76Confident81.1Confident155 Ų15587.3 Ų87.394%0.93949%0.492SS*.THydrogen-bonded Turntrans-61.9129.3172.8-69.20000110.4
329G82.6Confident81.6Confident87 Ų8784.3 Ų84.390%0.89748%0.48SS*.THydrogen-bonded Turntrans95.9-6.9-172.600000115P327P327-G329 PolarHBondContact O-N 2.95Å
330M82.2Confident82.5Confident56 Ų5681.6 Ų81.628%0.27646%0.457SS..SBendtrans-82.7141.7171.4-169.6172.4-177.900111.4I315 I326 P327 T332 M337 I338I315-M330 HydrophobicContact CD1-CE 3.66Å; I315-M330 HydrophobicContact CD1-SD 3.65Å; I326-M330 HydrophobicContact CG2-CB 3.96Å; I326-M330 HydrophobicContact CG2-CG 4.37Å; I326-M330 HydrophobicContact CG2-SD 4.26Å; P327-M330 VanDerWaalsContact O-CB 3.28Å; P327-M330 WeakPolarHBondContact O-CB 3.44Å; P327-M330 PolarHBondContact O-N 3.19Å; P327-M330 VanDerWaalsContact O-N 3.1Å; M330-T332 PolarHBondContact O-N 2.91Å; M330-M337 HydrophobicContact CE-CB 3.67Å; M330-I338 HydrophobicContact CE-CD1 3.71Å; M330-I338 HydrophobicContact CE-CG1 3.92Å; M330-I338 HydrophobicContact CG-CD1 3.87Å; M330-I338 HydrophobicContact SD-CD1 3.61Å; M330-I338 HydrophobicContact SD-CG1 4.35Å
331V87.6Confident83.3Confident76 Ų7679.5 Ų79.546%0.46145%0.445SS..  trans-67.7116.1175.61800000110D333 I338V331-D333 HydrophobicContact CG1-CB 4.48Å; V331-D333 VanDerWaalsContact CG1-CG 3.47Å; V331-D333 WeakPolarHBondContact CG1-OD1 3.27Å; V331-I338 WeakPolarHBondContact O-CD1 3.11Å
332T84.4Confident84.1Confident102 Ų10280.7 Ų80.763%0.62645%0.448SS*.  trans-92.1-6.2-177.249.10000114.3I326 M330I326-T332 HydrophobicContact CD1-CG2 4.25Å; I326-T332 HydrophobicContact CG2-CG2 3.89Å; M330-T332 PolarHBondContact O-N 2.91Å
333D85Confident84.6Confident79 Ų7976 Ų7642%0.42243%0.432SS..SBendtrans-83.9-178.3-17970.134000113V331 F335 G336V331-D333 HydrophobicContact CG1-CB 4.48Å; V331-D333 VanDerWaalsContact CG1-CG 3.47Å; V331-D333 WeakPolarHBondContact CG1-OD1 3.27Å; D333-F335 PolarHBondContact O-N 2.89Å; D333-F335 WeakPolarHBondContact OD1-CA 3.45Å; D333-F335 WeakPolarHBondContact OD1-CB 3.18Å; D333-F335 PolarHBondContact OD1-N 3.41Å; D333-G336 PolarHBondContact O-N 3.11Å; D333-G336 PolarHBondContact OD1-N 3.34Å
334Q85.3Confident85Confident149 Ų14977.5 Ų77.570%0.69644%0.438SS*.THydrogen-bonded Turntrans-64.8-18.2-179.369-176.823.400114.7
335F90.4Very high85.1Confident172 Ų17280.3 Ų80.375%0.75444%0.444SS*.THydrogen-bonded Turntrans-92.6-12.5179.2-50.4-73000112.1D333D333-F335 PolarHBondContact O-N 2.89Å; D333-F335 WeakPolarHBondContact OD1-CA 3.45Å; D333-F335 WeakPolarHBondContact OD1-CB 3.18Å; D333-F335 PolarHBondContact OD1-N 3.41Å
336G89.6Confident85.1Confident10 Ų1077.6 Ų77.610%0.10343%0.434CS..SBendtrans-78.8167.6171.800000113.8D333 I338 G339 L340D333-G336 PolarHBondContact O-N 3.11Å; D333-G336 PolarHBondContact OD1-N 3.34Å; G336-I338 PolarHBondContact O-N 3.49Å; G336-G339 WeakPolarHBondContact O-CA 3.21Å; G336-G339 PolarHBondContact O-N 3.13Å; G336-L340 PolarHBondContact O-N 3.26Å
337M86.5Confident85.3Confident132 Ų13275.4 Ų75.465%0.6542%0.423SS*.Hα-helixtrans-59-21.5175.6-68.5-62.4-63.400113.6M330 L340 L341M330-M337 HydrophobicContact CE-CB 3.67Å; M337-L340 HydrophobicContact CE-CD2 4.01Å; M337-L340 HydrophobicContact SD-CD2 4.21Å; M337-L341 WeakPolarHBondContact O-CB 3.3Å; M337-L341 PolarHBondContact O-N 2.74Å; M337-L341 VanDerWaalsContact O-N 3.1Å
338I86.4Confident85.4Confident10 Ų1077.7 Ų77.75%0.05143%0.427CS..Hα-helixtrans-71.9-40.9172.3-72.3140000111V323 I326 M330 V331 G336 L341 T342V323-I338 HydrophobicContact CB-CG2 3.86Å; V323-I338 HydrophobicContact CG1-CG1 4.18Å; V323-I338 HydrophobicContact CG1-CG2 4.05Å; V323-I338 HydrophobicContact CG2-CG2 4.01Å; I326-I338 HydrophobicContact CB-CD1 4.17Å; I326-I338 HydrophobicContact CD1-CD1 3.77Å; I326-I338 HydrophobicContact CD1-CG1 4.2Å; I326-I338 HydrophobicContact CD1-CG2 4.19Å; I326-I338 HydrophobicContact CG1-CD1 3.67Å; I326-I338 HydrophobicContact CG1-CG1 4.13Å; I326-I338 HydrophobicContact CG2-CD1 3.45Å; I326-I338 VanDerWaalsContact CG2-CD1 3.45Å; M330-I338 HydrophobicContact CE-CD1 3.71Å; M330-I338 HydrophobicContact CE-CG1 3.92Å; M330-I338 HydrophobicContact CG-CD1 3.87Å; M330-I338 HydrophobicContact SD-CD1 3.61Å; M330-I338 HydrophobicContact SD-CG1 4.35Å; V331-I338 WeakPolarHBondContact O-CD1 3.11Å; G336-I338 PolarHBondContact O-N 3.49Å; I338-L341 PolarHBondContact O-N 2.76Å; I338-T342 WeakPolarHBondContact O-CB 3.3Å; I338-T342 PolarHBondContact O-N 2.97Å; I338-T342 PolarHBondContact O-OG1 3.45Å
339G87.4Confident85.7Confident14 Ų1476 Ų7614%0.14442%0.418CS..Hα-helixtrans-57.8-47.6171.200000112G336 L341 T342 F343G336-G339 WeakPolarHBondContact O-CA 3.21Å; G336-G339 PolarHBondContact O-N 3.13Å; G339-L341 PolarHBondContact O-N 2.92Å; G339-T342 PolarHBondContact O-N 3.08Å; G339-F343 WeakPolarHBondContact O-CB 3.46Å; G339-F343 PolarHBondContact O-N 3.46Å
340L88.3Confident85.7Confident81 Ų8175.4 Ų75.442%0.42439%0.394SS..Hα-helixtrans-58-45.4175.1177.761.5000112.5G336 M337 F343 I344G336-L340 PolarHBondContact O-N 3.26Å; M337-L340 HydrophobicContact CE-CD2 4.01Å; M337-L340 HydrophobicContact SD-CD2 4.21Å; L340-F343 WeakPolarHBondContact O-CB 3.27Å; L340-F343 PolarHBondContact O-N 2.84Å; L340-I344 HydrophobicContact CD1-CD1 4.08Å; L340-I344 HydrophobicContact CD1-CG1 4.38Å; L340-I344 HydrophobicContact CG-CD1 4.07Å; L340-I344 WeakPolarHBondContact O-CG1 3.4Å; L340-I344 PolarHBondContact O-N 2.95Å
341L86.5Confident85.4Confident55 Ų5577.3 Ų77.329%0.28841%0.411SS..Hα-helixtrans-66.6-40-180-178.355.6000112.3I315 V317 M337 I338 G339 F343 R345I315-L341 HydrophobicContact CG2-CD2 4.19Å; V317-L341 HydrophobicContact CG2-CD1 4.26Å; V317-L341 HydrophobicContact CG2-CD2 3.37Å; V317-L341 HydrophobicContact CG2-CG 3.7Å; M337-L341 WeakPolarHBondContact O-CB 3.3Å; M337-L341 PolarHBondContact O-N 2.74Å; M337-L341 VanDerWaalsContact O-N 3.1Å; I338-L341 PolarHBondContact O-N 2.76Å; G339-L341 PolarHBondContact O-N 2.92Å; L341-F343 VanDerWaalsContact C-N 3.33Å; L341-R345 WeakPolarHBondContact O-CG 3.45Å; L341-R345 PolarHBondContact O-N 3.15Å; L341-R345 VanDerWaalsContact O-N 3.14Å
342T84.8Confident85Confident53 Ų5375.7 Ų75.733%0.32541%0.409SS..Hα-helixtrans-64.1-38172.3-59.30000111.4V323 I338 G339 R345 A346V323-T342 WeakPolarHBondContact CG2-OG1 3.44Å; I338-T342 WeakPolarHBondContact O-CB 3.3Å; I338-T342 PolarHBondContact O-N 2.97Å; I338-T342 PolarHBondContact O-OG1 3.45Å; G339-T342 PolarHBondContact O-N 3.08Å; T342-R345 PolarHBondContact O-N 3.23Å; T342-A346 WeakPolarHBondContact O-CB 3.39Å; T342-A346 PolarHBondContact O-N 3.47Å
343F86.1Confident84.8Confident74 Ų7473.7 Ų73.733%0.32539%0.393SS..Hα-helixtrans-66.6-44178.1-175-129.3000112.5G339 L340 L341 R345 A346 A347 M353 L356 A357G339-F343 WeakPolarHBondContact O-CB 3.46Å; G339-F343 PolarHBondContact O-N 3.46Å; L340-F343 WeakPolarHBondContact O-CB 3.27Å; L340-F343 PolarHBondContact O-N 2.84Å; L341-F343 VanDerWaalsContact C-N 3.33Å; F343-R345 VanDerWaalsContact C-N 3.29Å; F343-R345 PolarHBondContact O-N 2.98Å; F343-A346 PolarHBondContact O-N 2.88Å; F343-A347 PolarHBondContact O-N 3.39Å; F343-A347 VanDerWaalsContact O-N 3.1Å; F343-M353 HydrophobicContact CE2-CB 4.47Å; F343-M353 HydrophobicContact CE2-SD 3.78Å; F343-L356 HydrophobicContact CE1-CB 4.48Å; F343-L356 HydrophobicContact CZ-CB 3.8Å; F343-A357 HydrophobicContact CD1-CB 3.52Å; F343-A357 HydrophobicContact CD2-CB 4.42Å; F343-A357 VanDerWaalsContact CE1-CA 3.42Å; F343-A357 HydrophobicContact CE1-CB 3.41Å; F343-A357 VanDerWaalsContact CE1-CB 3.41Å; F343-A357 HydrophobicContact CE2-CB 4.32Å; F343-A357 HydrophobicContact CG-CB 4.05Å; F343-A357 HydrophobicContact CZ-CB 3.84Å
344I87.5Confident84.7Confident54 Ų5472 Ų7228%0.27739%0.386SS..Hα-helixtrans-60.3-39.1173.4-69.1165.8000111.2L340 A347 E348 L358L340-I344 HydrophobicContact CD1-CD1 4.08Å; L340-I344 HydrophobicContact CD1-CG1 4.38Å; L340-I344 HydrophobicContact CG-CD1 4.07Å; L340-I344 WeakPolarHBondContact O-CG1 3.4Å; L340-I344 PolarHBondContact O-N 2.95Å; I344-A347 WeakPolarHBondContact O-CB 3.44Å; I344-A347 PolarHBondContact O-N 3.37Å; I344-E348 PolarHBondContact O-N 3.23Å; I344-L358 HydrophobicContact CG2-CD2 4.15Å
345R83.8Confident84.5Confident110 Ų11069.9 Ų69.942%0.41538%0.376SS..Hα-helixtrans-71.3-36.6175.6-70.6-65.2-173.7-173.9-8.4113.3V317 L341 T342 F343 A347 E348V317-R345 HydrophobicContact CG1-CG 4.21Å; L341-R345 WeakPolarHBondContact O-CG 3.45Å; L341-R345 PolarHBondContact O-N 3.15Å; L341-R345 VanDerWaalsContact O-N 3.14Å; T342-R345 PolarHBondContact O-N 3.23Å; F343-R345 VanDerWaalsContact C-N 3.29Å; F343-R345 PolarHBondContact O-N 2.98Å; R345-A347 PolarHBondContact O-N 2.87Å; R345-E348 WeakPolarHBondContact CD-OE2 3.39Å; R345-E348 IonicContact CZ-OE1 3.37Å; R345-E348 IonicContact CZ-OE2 3.77Å; R345-E348 IonicContact NE-OE2 2.79Å; R345-E348 IonicContact NH1-OE1 3.67Å; R345-E348 PolarHBondContact NH1-OE1 2.92Å; R345-E348 IonicContact NH1-OE2 3.66Å; R345-E348 PolarHBondContact NH1-OE2 2.8Å; R345-E348 WeakPolarHBondContact O-CB 3.41Å; R345-E348 PolarHBondContact O-N 3.31Å
346A83.7Confident84.3Confident36 Ų3667.6 Ų67.630%0.29837%0.371SS..Hα-helixtrans-59.6-38.4173.600000111.2T342 F343 E348 T349 D350T342-A346 WeakPolarHBondContact O-CB 3.39Å; T342-A346 PolarHBondContact O-N 3.47Å; F343-A346 PolarHBondContact O-N 2.88Å; A346-E348 VanDerWaalsContact C-N 3.29Å; A346-E348 PolarHBondContact O-N 2.82Å; A346-T349 CarbonylContact O-C 3.6Å; A346-T349 WeakPolarHBondContact O-CA 3.32Å; A346-T349 PolarHBondContact O-N 2.89Å; A346-T349 PolarHBondContact O-OG1 3Å; A346-D350 PolarHBondContact O-N 2.63Å
347A84.8Confident84.1Confident3 Ų368.3 Ų68.33%0.02538%0.375CS..Hα-helixtrans-63.7-24.2173.700000114.8F343 I344 R345 T349 M353 V354 A357 L358F343-A347 PolarHBondContact O-N 3.39Å; F343-A347 VanDerWaalsContact O-N 3.1Å; I344-A347 WeakPolarHBondContact O-CB 3.44Å; I344-A347 PolarHBondContact O-N 3.37Å; R345-A347 PolarHBondContact O-N 2.87Å; A347-T349 PolarHBondContact O-N 3.24Å; A347-M353 HydrophobicContact CB-CB 4.18Å; A347-V354 HydrophobicContact CB-CG2 4.33Å; A347-V354 WeakPolarHBondContact O-CG2 3.27Å; A347-A357 HydrophobicContact CB-CB 3.74Å; A347-L358 HydrophobicContact CB-CD1 4.05Å; A347-L358 HydrophobicContact CB-CG 4.33Å
348E84.1Confident84.1Confident123 Ų12367 Ų6758%0.57537%0.371SS*.Hα-helixtrans-68-19.2170.5-61178.4155.300112.2I344 R345 A346I344-E348 PolarHBondContact O-N 3.23Å; R345-E348 WeakPolarHBondContact CD-OE2 3.39Å; R345-E348 IonicContact CZ-OE1 3.37Å; R345-E348 IonicContact CZ-OE2 3.77Å; R345-E348 IonicContact NE-OE2 2.79Å; R345-E348 IonicContact NH1-OE1 3.67Å; R345-E348 PolarHBondContact NH1-OE1 2.92Å; R345-E348 IonicContact NH1-OE2 3.66Å; R345-E348 PolarHBondContact NH1-OE2 2.8Å; R345-E348 WeakPolarHBondContact O-CB 3.41Å; R345-E348 PolarHBondContact O-N 3.31Å; A346-E348 VanDerWaalsContact C-N 3.29Å; A346-E348 PolarHBondContact O-N 2.82Å
349T83.1Confident84.2Confident121 Ų12168 Ų6874%0.74238%0.384SS*.Hα-helixtrans-110.8-24-177.459.50000114.8A346 A347A346-T349 CarbonylContact O-C 3.6Å; A346-T349 WeakPolarHBondContact O-CA 3.32Å; A346-T349 PolarHBondContact O-N 2.89Å; A346-T349 PolarHBondContact O-OG1 3Å; A347-T349 PolarHBondContact O-N 3.24Å
350D81.4Confident84.2Confident73 Ų7370.2 Ų70.239%0.3940%0.397SS..  trans-122.8109.2-179.5-178.13000111.4A346 G352 M353 V354A346-D350 PolarHBondContact O-N 2.63Å; D350-G352 PolarHBondContact O-N 3.16Å; D350-G352 VanDerWaalsContact O-N 3.15Å; D350-G352 PolarHBondContact OD1-N 3.11Å; D350-M353 HydrophobicContact CB-CB 4.31Å; D350-M353 HydrophobicContact CB-CG 4.13Å; D350-M353 PolarHBondContact O-N 2.73Å; D350-M353 WeakPolarHBondContact OD2-CG 3.5Å; D350-V354 PolarHBondContact O-N 2.72Å
351P76.9Confident84.3Confident97 Ų9770.9 Ų70.963%0.6340%0.401SS*.Hα-helixtrans-54.6-28.3174.7-26.535.7000114.7M353 H355P351-M353 VanDerWaalsContact C-N 3.3Å; P351-M353 PolarHBondContact O-N 2.77Å; P351-H355 PolarHBondContact O-ND1 2.88Å; P351-H355 VanDerWaalsContact O-ND1 3.14Å
352G77.9Confident84.4Confident42 Ų4273.2 Ų73.243%0.43341%0.413SS..Hα-helixtrans-67.6-30.517600000112.9D350D350-G352 PolarHBondContact O-N 3.16Å; D350-G352 VanDerWaalsContact O-N 3.15Å; D350-G352 PolarHBondContact OD1-N 3.11Å
353M80.5Confident84.6Confident59 Ų5975 Ų7529%0.29142%0.424SS..Hα-helixtrans-87.6-21.3178.9-63.8-63.4100.400113.2F343 A347 D350 P351 H355 L356 A357F343-M353 HydrophobicContact CE2-CB 4.47Å; F343-M353 HydrophobicContact CE2-SD 3.78Å; A347-M353 HydrophobicContact CB-CB 4.18Å; D350-M353 HydrophobicContact CB-CB 4.31Å; D350-M353 HydrophobicContact CB-CG 4.13Å; D350-M353 PolarHBondContact O-N 2.73Å; D350-M353 WeakPolarHBondContact OD2-CG 3.5Å; P351-M353 VanDerWaalsContact C-N 3.3Å; P351-M353 PolarHBondContact O-N 2.77Å; M353-H355 VanDerWaalsContact C-N 3.31Å; M353-H355 PolarHBondContact O-N 3.48Å; M353-L356 HydrophobicContact CE-CD1 3.96Å; M353-L356 PolarHBondContact O-N 3.13Å; M353-L356 VanDerWaalsContact O-N 3.08Å; M353-L356 HydrophobicContact SD-CD1 4.47Å; M353-A357 WeakPolarHBondContact O-CB 3.33Å; M353-A357 PolarHBondContact O-N 3.17Å
354V83.7Confident84.7Confident45 Ų4576.3 Ų76.327%0.27344%0.438SS..Hα-helixtrans-49.1-52.5174.6175.60000111.4A347 D350 L356 A357 L358 G359A347-V354 HydrophobicContact CB-CG2 4.33Å; A347-V354 WeakPolarHBondContact O-CG2 3.27Å; D350-V354 PolarHBondContact O-N 2.72Å; V354-L356 PolarHBondContact O-N 3.33Å; V354-L356 VanDerWaalsContact O-N 3.15Å; V354-A357 PolarHBondContact O-N 2.87Å; V354-L358 HydrophobicContact CG1-CB 4.42Å; V354-L358 HydrophobicContact CG1-CD1 4.33Å; V354-L358 WeakPolarHBondContact O-CA 3.5Å; V354-L358 WeakPolarHBondContact O-CB 3.47Å; V354-L358 PolarHBondContact O-N 3.27Å; V354-G359 PolarHBondContact O-N 3.37Å
355H81.4Confident84.6Confident103 Ų10376.7 Ų76.748%0.47744%0.44SS..Hα-helixtrans-61.6-24.4-177-64.683.9000113.8P351 M353 G359 S360P351-H355 PolarHBondContact O-ND1 2.88Å; P351-H355 VanDerWaalsContact O-ND1 3.14Å; M353-H355 VanDerWaalsContact C-N 3.31Å; M353-H355 PolarHBondContact O-N 3.48Å; H355-G359 WeakPolarHBondContact O-CA 3.44Å; H355-S360 PolarHBondContact CD2-OG 2.9Å
356L86Confident84.7Confident125 Ų12573.1 Ų73.165%0.65444%0.438SS*.Hα-helixtrans-99-32.5-178.5-63.3174.5000113.1F343 M353 V354F343-L356 HydrophobicContact CE1-CB 4.48Å; F343-L356 HydrophobicContact CZ-CB 3.8Å; M353-L356 HydrophobicContact CE-CD1 3.96Å; M353-L356 PolarHBondContact O-N 3.13Å; M353-L356 VanDerWaalsContact O-N 3.08Å; M353-L356 HydrophobicContact SD-CD1 4.47Å; V354-L356 PolarHBondContact O-N 3.33Å; V354-L356 VanDerWaalsContact O-N 3.15Å
357A84.4Confident84.9Confident24 Ų2474.2 Ų74.220%0.19844%0.438CS..Hα-helixtrans-94.8-42.9-176.100000113.5F343 A347 M353 V354F343-A357 HydrophobicContact CD1-CB 3.52Å; F343-A357 HydrophobicContact CD2-CB 4.42Å; F343-A357 VanDerWaalsContact CE1-CA 3.42Å; F343-A357 HydrophobicContact CE1-CB 3.41Å; F343-A357 VanDerWaalsContact CE1-CB 3.41Å; F343-A357 HydrophobicContact CE2-CB 4.32Å; F343-A357 HydrophobicContact CG-CB 4.05Å; F343-A357 HydrophobicContact CZ-CB 3.84Å; A347-A357 HydrophobicContact CB-CB 3.74Å; M353-A357 WeakPolarHBondContact O-CB 3.33Å; M353-A357 PolarHBondContact O-N 3.17Å; V354-A357 PolarHBondContact O-N 2.87Å
358L87.8Confident85.2Confident105 Ų10578.6 Ų78.655%0.5546%0.461SS..THydrogen-bonded Turntrans-102-22.1-178.7-65.7166.7000111.5I344 A347 V354I344-L358 HydrophobicContact CG2-CD2 4.15Å; A347-L358 HydrophobicContact CB-CD1 4.05Å; A347-L358 HydrophobicContact CB-CG 4.33Å; V354-L358 HydrophobicContact CG1-CB 4.42Å; V354-L358 HydrophobicContact CG1-CD1 4.33Å; V354-L358 WeakPolarHBondContact O-CA 3.5Å; V354-L358 WeakPolarHBondContact O-CB 3.47Å; V354-L358 PolarHBondContact O-N 3.27Å
359G87.9Confident85.4Confident32 Ų3277.1 Ų77.133%0.3346%0.457SS..  trans80.1-163.1-175.300000112.4V354 H355V354-G359 PolarHBondContact O-N 3.37Å; H355-G359 WeakPolarHBondContact O-CA 3.44Å
360S88.2Confident85.9Confident60 Ų6078.3 Ų78.342%0.4246%0.459SS..  trans-142.7149.5177.2-52.10000109.4H355 L362H355-S360 PolarHBondContact CD2-OG 2.9Å; S360-L362 PolarHBondContact O-N 3.23Å
361D89.8Confident86.3Confident95 Ų9576.5 Ų76.551%0.50845%0.452SS..  trans-70.799.1175.3-176.8-7.6000110.1T363 T364D361-T363 VanDerWaalsContact CG-OG1 3.26Å; D361-T363 PolarHBondContact O-N 3.18Å; D361-T363 VanDerWaalsContact O-N 3.11Å; D361-T363 VanDerWaalsContact OD1-CB 3.31Å; D361-T363 WeakPolarHBondContact OD1-CB 3.48Å; D361-T363 WeakPolarHBondContact OD1-CG2 3.4Å; D361-T363 PolarHBondContact OD1-N 2.97Å; D361-T363 PolarHBondContact OD1-OG1 2.88Å; D361-T363 PolarHBondContact OD2-OG1 3.42Å; D361-T364 HydrophobicContact CB-CG2 3.95Å; D361-T364 WeakPolarHBondContact O-CB 3.36Å; D361-T364 PolarHBondContact O-N 3.34Å; D361-T364 PolarHBondContact O-OG1 3.48Å
362L88.2Confident87.1Confident104 Ų10478.4 Ų78.455%0.54546%0.464SS..G310 helixtrans-62.1-18.2-178.3-55.6-177.9000113.1S360 T364 L365 L369S360-L362 PolarHBondContact O-N 3.23Å; L362-T364 PolarHBondContact O-N 3.47Å; L362-L365 HydrophobicContact CD2-CD1 3.89Å; L362-L365 WeakPolarHBondContact O-CB 3.18Å; L362-L365 PolarHBondContact O-N 3.2Å; L362-L369 HydrophobicContact CB-CD1 3.98Å
363T89.1Confident87.9Confident89 Ų8981.9 Ų81.955%0.54647%0.469SS..G310 helixtrans-71.8-21.1175.973.80000112.5D361 L365D361-T363 VanDerWaalsContact CG-OG1 3.26Å; D361-T363 PolarHBondContact O-N 3.18Å; D361-T363 VanDerWaalsContact O-N 3.11Å; D361-T363 VanDerWaalsContact OD1-CB 3.31Å; D361-T363 WeakPolarHBondContact OD1-CB 3.48Å; D361-T363 WeakPolarHBondContact OD1-CG2 3.4Å; D361-T363 PolarHBondContact OD1-N 2.97Å; D361-T363 PolarHBondContact OD1-OG1 2.88Å; D361-T363 PolarHBondContact OD2-OG1 3.42Å; T363-L365 VanDerWaalsContact C-N 3.26Å; T363-L365 PolarHBondContact O-N 2.83Å
364T87.7Confident88.5Confident102 Ų10284.3 Ų84.363%0.62648%0.484SS*.G310 helixtrans-77-10.5177.467.30000113.6D361 L362 G366D361-T364 HydrophobicContact CB-CG2 3.95Å; D361-T364 WeakPolarHBondContact O-CB 3.36Å; D361-T364 PolarHBondContact O-N 3.34Å; D361-T364 PolarHBondContact O-OG1 3.48Å; L362-T364 PolarHBondContact O-N 3.47Å; T364-G366 PolarHBondContact O-N 3.06Å; T364-G366 VanDerWaalsContact O-N 3.14Å
365L86.8Confident88.9Confident62 Ų6285.2 Ų85.233%0.32549%0.486SS..G310 helixtrans-77.56.6-174.6-56.7-172.3000114.7L362 T363 L367 F520L362-L365 HydrophobicContact CD2-CD1 3.89Å; L362-L365 WeakPolarHBondContact O-CB 3.18Å; L362-L365 PolarHBondContact O-N 3.2Å; T363-L365 VanDerWaalsContact C-N 3.26Å; T363-L365 PolarHBondContact O-N 2.83Å; L365-L367 PolarHBondContact O-N 2.98Å; L365-F520 HydrophobicContact CD2-CD1 4.4Å; L365-F520 HydrophobicContact CD2-CE1 3.73Å
366G85.2Confident89.4Confident35 Ų3588.7 Ų88.736%0.36150%0.497SS..SBendtrans76.35.1179.400000115T364 S385T364-G366 PolarHBondContact O-N 3.06Å; T364-G366 VanDerWaalsContact O-N 3.14Å; G366-S385 WeakPolarHBondContact CA-O 3.36Å
367L88.9Confident89.6Confident59 Ų5986.1 Ų86.131%0.30949%0.487SS..  trans-93.2127.2172.7-65.1178.9000110.3L365 L369 L375 F379L365-L367 PolarHBondContact O-N 2.98Å; L367-L369 VanDerWaalsContact C-N 3.32Å; L367-L369 HydrophobicContact CB-CD2 4.07Å; L367-L369 PolarHBondContact O-N 2.91Å; L367-L375 HydrophobicContact CB-CD1 4.4Å; L367-F379 HydrophobicContact CD2-CD2 4.38Å
368N89.5Confident90Very high95 Ų9589.5 Ų89.551%0.50850%0.498SS..  trans-78.482174.3-175.610000110.7N370 S371N368-N370 PolarHBondContact O-N 3.12Å; N368-N370 VanDerWaalsContact O-N 3.09Å; N368-N370 PolarHBondContact OD1-N 3.22Å; N368-S371 WeakPolarHBondContact O-CB 3.14Å; N368-S371 PolarHBondContact O-N 3.18Å; N368-S371 PolarHBondContact OD1-N 3.4Å
369L89.4Confident90.2Very high92 Ų9289.2 Ų89.248%0.48249%0.492SS..THydrogen-bonded Turntrans-62.4-14.2178.6-55.7-178.7000113.7L362 L367 L375L362-L369 HydrophobicContact CB-CD1 3.98Å; L367-L369 VanDerWaalsContact C-N 3.32Å; L367-L369 HydrophobicContact CB-CD2 4.07Å; L367-L369 PolarHBondContact O-N 2.91Å; L369-L375 HydrophobicContact CD2-CD1 4.38Å
370N92.2Very high90.3Very high147 Ų14790.1 Ų90.179%0.78650%0.496SS*.THydrogen-bonded Turntrans-94.37.8174.9-61.8-47.2000113.1N368N368-N370 PolarHBondContact O-N 3.12Å; N368-N370 VanDerWaalsContact O-N 3.09Å; N368-N370 PolarHBondContact OD1-N 3.22Å
371S90.9Very high90.5Very high34 Ų3489 Ų8924%0.23849%0.488CS..  trans-66.7130.9177.8177.40000111.4N368 E373N368-S371 WeakPolarHBondContact O-CB 3.14Å; N368-S371 PolarHBondContact O-N 3.18Å; N368-S371 PolarHBondContact OD1-N 3.4Å; S371-E373 WeakPolarHBondContact CB-O 3.37Å; S371-E373 PolarHBondContact OG-N 3Å; S371-E373 VanDerWaalsContact OG-N 3.07Å; S371-E373 PolarHBondContact OG-O 3.33Å
372P93.1Very high90.5Very high137 Ų13788.6 Ų88.689%0.8949%0.491SS*.SBendtrans-75.3-15.3168.133-35.4000112.5
373E94.4Very high90.6Very high116 Ų11691 Ų9154%0.54249%0.493SS..SBendtrans-90.4147.2173.4-64.6-177.8-179.400111.3S371 L375 K378S371-E373 WeakPolarHBondContact CB-O 3.37Å; S371-E373 PolarHBondContact OG-N 3Å; S371-E373 VanDerWaalsContact OG-N 3.07Å; S371-E373 PolarHBondContact OG-O 3.33Å; E373-L375 PolarHBondContact O-N 3.34Å; E373-K378 IonicContact OE2-NZ 3.98Å; E373-K378 PolarHBondContact OE2-NZ 3.07Å
374N93.1Very high90.6Very high110 Ų11088.5 Ų88.559%0.58848%0.481SS*.  trans-54.4135.5169.5-73.1-41.8000111.8Y376 P377N374-Y376 HydrophobicContact CB-CD1 3.78Å; N374-Y376 HydrophobicContact CB-CE1 3.63Å; N374-P377 HydrophobicContact CB-CG 4.4Å; N374-P377 VanDerWaalsContact O-CD 3.24Å; N374-P377 WeakPolarHBondContact O-CD 3.2Å
375L92.3Very high90.6Very high64 Ų6488.2 Ų88.234%0.33548%0.484SS..SBendtrans-81.5-30.3-179.9-61-179.4000113.6L367 L369 E373 K378 F379L367-L375 HydrophobicContact CB-CD1 4.4Å; L369-L375 HydrophobicContact CD2-CD1 4.38Å; E373-L375 PolarHBondContact O-N 3.34Å; L375-K378 CarbonylContact O-C 3.51Å; L375-K378 PolarHBondContact O-N 3.38Å; L375-K378 VanDerWaalsContact O-N 3.15Å; L375-F379 PolarHBondContact O-N 3.49Å
376Y92.3Very high90.6Very high176 Ų17688.1 Ų88.169%0.6949%0.492SS*.G310 helixtrans-56.3-34.5-174.578.9-97.2000115.9N374 K378 F379N374-Y376 HydrophobicContact CB-CD1 3.78Å; N374-Y376 HydrophobicContact CB-CE1 3.63Å; Y376-K378 PolarHBondContact O-N 2.71Å; Y376-F379 WeakPolarHBondContact O-CB 3.41Å; Y376-F379 PolarHBondContact O-N 2.93Å
377P91.4Very high90.8Very high70 Ų7090 Ų9046%0.45550%0.497SS..G310 helixtrans-68.2-19.6-179.4-17.932.2000113.7N374N374-P377 HydrophobicContact CB-CG 4.4Å; N374-P377 VanDerWaalsContact O-CD 3.24Å; N374-P377 WeakPolarHBondContact O-CD 3.2Å
378K91.1Very high91Very high96 Ų9688.5 Ų88.542%0.41749%0.492SS..G310 helixtrans-117.516.4179.1-57.8167.6-174.7159.60110.8E373 L375 Y376 A380 P387 C388E373-K378 IonicContact OE2-NZ 3.98Å; E373-K378 PolarHBondContact OE2-NZ 3.07Å; L375-K378 CarbonylContact O-C 3.51Å; L375-K378 PolarHBondContact O-N 3.38Å; L375-K378 VanDerWaalsContact O-N 3.15Å; Y376-K378 PolarHBondContact O-N 2.71Å; K378-A380 PolarHBondContact O-N 3.4Å; K378-P387 HydrophobicContact CB-CB 4.05Å; K378-P387 CarbonylContact O-C 3.42Å; K378-P387 WeakPolarHBondContact O-CA 3.35Å; K378-P387 VanDerWaalsContact O-CB 3.25Å; K378-P387 WeakPolarHBondContact O-CB 3.41Å; K378-C388 PolarHBondContact O-N 3.13Å
379F92.9Very high91Very high99 Ų9987.7 Ų87.743%0.43448%0.482SS..  trans-81.3110.4-179.5178.5-103.6000110.2L367 L375 Y376 S381 P382L367-F379 HydrophobicContact CD2-CD2 4.38Å; L375-F379 PolarHBondContact O-N 3.49Å; Y376-F379 WeakPolarHBondContact O-CB 3.41Å; Y376-F379 PolarHBondContact O-N 2.93Å; F379-S381 VanDerWaalsContact CZ-C 3.48Å; F379-P382 HydrophobicContact CE1-CG 4.44Å; F379-P382 HydrophobicContact CZ-CG 4.3Å
380A90.9Very high91.1Very high50 Ų5088 Ų8841%0.41349%0.489SS..  trans-75.6-48.6-173.700000113.4K378 A384 C388K378-A380 PolarHBondContact O-N 3.4Å; A380-A384 HydrophobicContact CB-CB 3.75Å; A380-C388 WeakPolarHBondContact CA-SG 3.3Å
381S90.9Very high91Very high36 Ų3684.9 Ų84.925%0.25247%0.47SS..  trans-175152.2-172.7165.40000110.5F379 W383 A384F379-S381 VanDerWaalsContact CZ-C 3.48Å; S381-W383 PolarHBondContact O-N 2.79Å; S381-W383 VanDerWaalsContact OG-CE3 3.3Å; S381-W383 PolarHBondContact OG-N 3.49Å; S381-A384 PolarHBondContact O-N 3.38Å; S381-A384 VanDerWaalsContact O-N 3.07Å
382P90.6Very high91Very high88 Ų8886.8 Ų86.857%0.57148%0.478SS*.THydrogen-bonded Turntrans-55.9-19.1170.8-25.335.5000115.3F379F379-P382 HydrophobicContact CE1-CG 4.44Å; F379-P382 HydrophobicContact CZ-CG 4.3Å
383W90.8Very high91Very high153 Ų15384 Ų8458%0.5845%0.454SS*.THydrogen-bonded Turntrans-108.43.5179.3-52-79.1000113.7S381 A516S381-W383 PolarHBondContact O-N 2.79Å; S381-W383 VanDerWaalsContact OG-CE3 3.3Å; S381-W383 PolarHBondContact OG-N 3.49Å; W383-A516 HydrophobicContact CB-CB 3.68Å; W383-A516 HydrophobicContact CG-CB 4.15Å
384A88.4Confident90.8Very high37 Ų3786.6 Ų86.631%0.30647%0.472SS..  trans-91.5123.8-178.500000111.6A380 S381 A386A380-A384 HydrophobicContact CB-CB 3.75Å; S381-A384 PolarHBondContact O-N 3.38Å; S381-A384 VanDerWaalsContact O-N 3.07Å; A384-A386 PolarHBondContact O-N 2.95Å
385S86.6Confident90.8Very high97 Ų9789.4 Ų89.468%0.67848%0.479SS*.SBendtrans-81.513.5176-39.60000113.8G366G366-S385 WeakPolarHBondContact CA-O 3.36Å
386A88.4Confident91Very high60 Ų6094.5 Ų94.550%0.49650%0.501SS..SBendtrans-152.3150.3-178.800000110.7A384A384-A386 PolarHBondContact O-N 2.95Å
387P89.8Confident91.2Very high73 Ų7388.7 Ų88.747%0.47448%0.484SS..PPolyproline II helixtrans-69.6162.1174.729.9-35.7000112.5K378 R389K378-P387 HydrophobicContact CB-CB 4.05Å; K378-P387 CarbonylContact O-C 3.42Å; K378-P387 WeakPolarHBondContact O-CA 3.35Å; K378-P387 VanDerWaalsContact O-CB 3.25Å; K378-P387 WeakPolarHBondContact O-CB 3.41Å; P387-R389 PolarHBondContact O-N 2.95Å
388C91Very high91.5Very high29 Ų2988.4 Ų88.420%0.19648%0.482CS..PPolyproline II helixtrans-53.1132.3172.2-63.30000111.1K378 A380 I393K378-C388 PolarHBondContact O-N 3.13Å; A380-C388 WeakPolarHBondContact CA-SG 3.3Å; C388-I393 HydrophobicContact CB-CD1 3.85Å; C388-I393 HydrophobicContact CB-CG1 3.73Å
389R91.1Very high91.6Very high77 Ų7787.6 Ų87.629%0.29149%0.488SS..PPolyproline II helixtrans-85.6158.4169.5-50.8164-66.6-173.74108.4P387 Q391 D392 M430P387-R389 PolarHBondContact O-N 2.95Å; R389-Q391 HydrophobicContact CB-CG 4.45Å; R389-Q391 VanDerWaalsContact CB-OE1 3.29Å; R389-Q391 PolarHBondContact O-N 3.3Å; R389-Q391 VanDerWaalsContact O-N 3.1Å; R389-D392 WeakPolarHBondContact CB-OD2 3.35Å; R389-D392 WeakPolarHBondContact CG-OD2 3.39Å; R389-D392 IonicContact CZ-OD1 2.77Å; R389-D392 IonicContact CZ-OD2 3.55Å; R389-D392 PolarHBondContact N-OD2 2.94Å; R389-D392 IonicContact NE-OD1 3.01Å; R389-D392 PolarHBondContact NE-OD1 3.35Å; R389-D392 IonicContact NE-OD2 2.65Å; R389-D392 PolarHBondContact NE-OD2 2.82Å; R389-D392 IonicContact NH2-OD1 3.9Å; R389-D392 PolarHBondContact NH2-OD1 3.19Å; R389-D392 IonicContact NH2-OD2 3.29Å; R389-D392 WeakPolarHBondContact O-CB 3.4Å; R389-D392 PolarHBondContact O-N 3.4Å; R389-M430 WeakPolarHBondContact CD-O 3.44Å
390P90.8Very high91.7Very high98 Ų9889.1 Ų89.164%0.63650%0.497SS*.G310 helixtrans-54.9-32.1179.9-27.135.9000114.2D392 M430P390-D392 VanDerWaalsContact C-N 3.31Å; P390-D392 PolarHBondContact O-N 3.47Å; P390-M430 HydrophobicContact CG-CE 4.29Å
391Q90.8Very high91.9Very high83 Ų8394.7 Ų94.739%0.38851%0.508SS..G310 helixtrans-76.7-11176.370.1-87.821.800115R389R389-Q391 HydrophobicContact CB-CG 4.45Å; R389-Q391 VanDerWaalsContact CB-OE1 3.29Å; R389-Q391 PolarHBondContact O-N 3.3Å; R389-Q391 VanDerWaalsContact O-N 3.1Å
392D91.3Very high92.1Very high74 Ų7497.3 Ų97.340%0.39652%0.519SS..G310 helixtrans-92.3-9.7176.3-51-42.2000112R389 P390R389-D392 WeakPolarHBondContact CB-OD2 3.35Å; R389-D392 WeakPolarHBondContact CG-OD2 3.39Å; R389-D392 IonicContact CZ-OD1 2.77Å; R389-D392 IonicContact CZ-OD2 3.55Å; R389-D392 PolarHBondContact N-OD2 2.94Å; R389-D392 IonicContact NE-OD1 3.01Å; R389-D392 PolarHBondContact NE-OD1 3.35Å; R389-D392 IonicContact NE-OD2 2.65Å; R389-D392 PolarHBondContact NE-OD2 2.82Å; R389-D392 IonicContact NH2-OD1 3.9Å; R389-D392 PolarHBondContact NH2-OD1 3.19Å; R389-D392 IonicContact NH2-OD2 3.29Å; R389-D392 WeakPolarHBondContact O-CB 3.4Å; R389-D392 PolarHBondContact O-N 3.4Å; P390-D392 VanDerWaalsContact C-N 3.31Å; P390-D392 PolarHBondContact O-N 3.47Å
393I92.2Very high92.4Very high77 Ų7796.5 Ų96.540%0.39551%0.512SS..SBendtrans-102.7111.2-176.2-57.4174.3000108.7C388 F395C388-I393 HydrophobicContact CB-CD1 3.85Å; C388-I393 HydrophobicContact CB-CG1 3.73Å; I393-F395 PolarHBondContact O-N 3.38Å
394D91.3Very high92.5Very high171 Ų17193.8 Ų93.891%0.91451%0.509SS*.  trans-62126.6170.2-76.7-40.8000110.3
395F92.7Very high92.8Very high169 Ų16998.4 Ų98.474%0.74153%0.527SS*.  trans-127.5140.8179.9-168.2-94.6000111I393 V397I393-F395 PolarHBondContact O-N 3.38Å; F395-V397 VanDerWaalsContact C-N 3.32Å; F395-V397 HydrophobicContact CD1-CG1 4.19Å; F395-V397 PolarHBondContact O-N 2.91Å
396H95.9Very high93.1Very high172 Ų172100.6 Ų100.680%0.79653%0.527SS*.  trans-73.486176.8-176.3-73.6000110.7
397V96.2Very high93.4Very high54 Ų54101.1 Ų101.133%0.32752%0.52SS..  trans-78.5149.7173.9-650000111.7F395 Y401 L402F395-V397 VanDerWaalsContact C-N 3.32Å; F395-V397 HydrophobicContact CD1-CG1 4.19Å; F395-V397 PolarHBondContact O-N 2.91Å; V397-Y401 HydrophobicContact CB-CD2 4.25Å; V397-L402 HydrophobicContact CG2-CD2 3.66Å; V397-L402 HydrophobicContact CG2-CG 4.28Å
398P97.2Very high93.6Very high64 Ų64106.5 Ų106.542%0.41653%0.531SS..  trans-52.1147167.8-2734.1000113.1E400 Y401P398-E400 WeakPolarHBondContact CB-OE2 3.35Å; P398-E400 PolarHBondContact O-N 2.8Å; P398-Y401 HydrophobicContact CB-CD2 4.38Å; P398-Y401 HydrophobicContact CG-CD2 4.27Å; P398-Y401 HydrophobicContact CG-CE2 4.13Å; P398-Y401 PolarHBondContact O-N 2.82Å
399S94.2Very high93.7Very high78 Ų78112.9 Ų112.955%0.54556%0.563SS.*G310 helixtrans-55.7-28.2-175.527.50000113.8Y401 L402S399-Y401 PolarHBondContact O-N 2.65Å; S399-L402 WeakPolarHBondContact O-CB 3.4Å; S399-L402 PolarHBondContact O-N 2.77Å
400E94.8Very high93.9Very high132 Ų132118 Ų11862%0.61759%0.587SS**G310 helixtrans-68.5-25.4-177.2-57.264.1-127.700111.5P398P398-E400 WeakPolarHBondContact CB-OE2 3.35Å; P398-E400 PolarHBondContact O-N 2.8Å
401Y96.1Very high94Very high167 Ų167118.5 Ų118.566%0.65558%0.584SS**G310 helixtrans-85.3-11.4177.1-59.6-30.8000113.6V397 P398 S399 T403V397-Y401 HydrophobicContact CB-CD2 4.25Å; P398-Y401 HydrophobicContact CB-CD2 4.38Å; P398-Y401 HydrophobicContact CG-CD2 4.27Å; P398-Y401 HydrophobicContact CG-CE2 4.13Å; P398-Y401 PolarHBondContact O-N 2.82Å; S399-Y401 PolarHBondContact O-N 2.65Å; Y401-T403 PolarHBondContact O-N 3.22Å
402L94.7Very high94.2Very high90 Ų90117.8 Ų117.847%0.47159%0.593SS.*  trans-76.249.4174.7-58179.5000111.7V397 S399 N404 I405V397-L402 HydrophobicContact CG2-CD2 3.66Å; V397-L402 HydrophobicContact CG2-CG 4.28Å; S399-L402 WeakPolarHBondContact O-CB 3.4Å; S399-L402 PolarHBondContact O-N 2.77Å; L402-N404 PolarHBondContact O-N 3.01Å; L402-I405 WeakPolarHBondContact O-CG1 3.48Å
403T95.7Very high94.2Very high72 Ų72117.6 Ų117.644%0.44260%0.601SS.*THydrogen-bonded Turntrans-66-33.2-170.856.20000113.6Y401 I405 H406 I407Y401-T403 PolarHBondContact O-N 3.22Å; T403-I405 VanDerWaalsContact C-N 3.26Å; T403-I405 PolarHBondContact O-N 3.4Å; T403-I405 VanDerWaalsContact O-N 3.14Å; T403-H406 PolarHBondContact O-N 3.07Å; T403-I407 WeakPolarHBondContact O-CG1 3.32Å; T403-I407 PolarHBondContact O-N 3.38Å; T403-I407 VanDerWaalsContact O-N 3.14Å
404N94.2Very high94.2Very high95 Ų95120.3 Ų120.351%0.50862%0.615SS.*Hα-helixtrans-51.9-42.4-172.6-169.32.2000112.5L402 H406 I407 R408L402-N404 PolarHBondContact O-N 3.01Å; N404-H406 PolarHBondContact O-N 3.5Å; N404-H406 VanDerWaalsContact O-N 3.13Å; N404-I407 PolarHBondContact O-N 3.31Å; N404-R408 WeakPolarHBondContact O-CB 3.44Å; N404-R408 PolarHBondContact O-N 3.27Å
405I93.3Very high94.3Very high134 Ų134117.2 Ų117.269%0.68759%0.594SS**Hα-helixtrans-62.2-23.6-179.673.9-171.9000113.6L402 T403L402-I405 WeakPolarHBondContact O-CG1 3.48Å; T403-I405 VanDerWaalsContact C-N 3.26Å; T403-I405 PolarHBondContact O-N 3.4Å; T403-I405 VanDerWaalsContact O-N 3.14Å
406H93.7Very high94.3Very high144 Ų144110.2 Ų110.267%0.66756%0.564SS**Hα-helixtrans-100-30-176.6-56.9110.3000113.7T403 N404T403-H406 PolarHBondContact O-N 3.07Å; N404-H406 PolarHBondContact O-N 3.5Å; N404-H406 VanDerWaalsContact O-N 3.13Å
407I94.9Very high94.3Very high70 Ų70105.8 Ų105.836%0.35955%0.552SS.*Hα-helixtrans-122.46.9-170.670.5170.5000115T403 N404 D409 K410 L411T403-I407 WeakPolarHBondContact O-CG1 3.32Å; T403-I407 PolarHBondContact O-N 3.38Å; T403-I407 VanDerWaalsContact O-N 3.14Å; N404-I407 PolarHBondContact O-N 3.31Å; I407-D409 VanDerWaalsContact C-N 3.27Å; I407-D409 PolarHBondContact O-N 3.21Å; I407-D409 VanDerWaalsContact O-N 3.1Å; I407-K410 CarbonylContact O-C 3.55Å; I407-K410 WeakPolarHBondContact O-CA 3.24Å; I407-K410 PolarHBondContact O-N 2.97Å; I407-L411 PolarHBondContact O-N 3.46Å
408R92.8Very high94.3Very high186 Ų186111.1 Ų111.170%0.70257%0.566SS**THydrogen-bonded Turntrans-43.2-48.5-177.8-173.6178.7179-174.60.3114.2N404 K410 L411N404-R408 WeakPolarHBondContact O-CB 3.44Å; N404-R408 PolarHBondContact O-N 3.27Å; R408-K410 VanDerWaalsContact C-N 3.27Å; R408-K410 PolarHBondContact O-N 3.01Å; R408-L411 PolarHBondContact O-N 3.23Å
409D93.9Very high94.2Very high163 Ų163111.3 Ų111.387%0.87256%0.559SS**THydrogen-bonded Turntrans-75.2-16.3-176-55.2-36.3000113.6I407I407-D409 VanDerWaalsContact C-N 3.27Å; I407-D409 PolarHBondContact O-N 3.21Å; I407-D409 VanDerWaalsContact O-N 3.1Å
410K94.9Very high94.4Very high184 Ų184109.8 Ų109.880%0.856%0.556SS**THydrogen-bonded Turntrans-98.8-16.5177.1-61.6178.1-177.7173.90112.4I407 R408 A412I407-K410 CarbonylContact O-C 3.55Å; I407-K410 WeakPolarHBondContact O-CA 3.24Å; I407-K410 PolarHBondContact O-N 2.97Å; R408-K410 VanDerWaalsContact C-N 3.27Å; R408-K410 PolarHBondContact O-N 3.01Å; K410-A412 PolarHBondContact O-N 3.26Å
411L94.1Very high94.5Very high110 Ų110106.8 Ų106.858%0.57654%0.542SS*.SBendtrans-68.2128.3-177.3-174.861.2000110.2I407 R408 A413I407-L411 PolarHBondContact O-N 3.46Å; R408-L411 PolarHBondContact O-N 3.23Å; L411-A413 PolarHBondContact O-N 3.09Å
412A93.3Very high94.5Very high68 Ų68103.1 Ų103.156%0.56253%0.534SS*.PPolyproline II helixtrans-64.4127.3179.400000110.7K410 I414K410-A412 PolarHBondContact O-N 3.26Å; A412-I414 PolarHBondContact O-N 3.47Å
413A92.1Very high94.6Very high70 Ų70101.8 Ų101.858%0.57953%0.527SS*.PPolyproline II helixtrans-56.1138.2175.100000111.5L411 K415L411-A413 PolarHBondContact O-N 3.09Å; A413-K415 PolarHBondContact O-N 3.19Å
414I92.4Very high94.7Very high133 Ų13398.4 Ų98.468%0.68251%0.506SS*.PPolyproline II helixtrans-60.6120.3-178.4-60.4175.5000109.5A412 Y419A412-I414 PolarHBondContact O-N 3.47Å; I414-Y419 WeakPolarHBondContact CA-OH 3.25Å; I414-Y419 HydrophobicContact CG2-CE2 4.03Å
415K94.1Very high94.9Very high107 Ų10793.9 Ų93.947%0.46548%0.482SS..  trans-143.5104178.7-70.8-171.1178.3-170.60109.2A413 S417 R418A413-K415 PolarHBondContact O-N 3.19Å; K415-S417 VanDerWaalsContact C-N 3.27Å; K415-S417 PolarHBondContact O-N 2.94Å; K415-R418 HydrophobicContact CB-CG 4.18Å; K415-R418 WeakPolarHBondContact O-CB 3.47Å; K415-R418 PolarHBondContact O-N 3.08Å
416L92.9Very high95.1Very high21 Ų2192.2 Ų92.211%0.1147%0.468CS..G310 helixtrans-59.5-34.2-171.2-63175.1000113.8R418 Y419 L424 L427 L436 L439 E443 R447L416-R418 PolarHBondContact O-N 2.81Å; L416-Y419 HydrophobicContact CD2-CD2 3.89Å; L416-Y419 HydrophobicContact CD2-CE2 4.03Å; L416-Y419 PolarHBondContact O-N 3.06Å; L416-L424 HydrophobicContact CB-CD2 4.1Å; L416-L424 HydrophobicContact CD2-CD2 4.17Å; L416-L427 HydrophobicContact CD2-CD1 3.51Å; L416-L436 HydrophobicContact CD2-CD1 4.3Å; L416-L439 HydrophobicContact CD1-CB 3.43Å; L416-L439 VanDerWaalsContact CD1-CB 3.43Å; L416-E443 HydrophobicContact CB-CG 3.74Å; L416-E443 HydrophobicContact CD1-CG 4.44Å; L416-R447 PolarHBondContact O-NH2 3.11Å
417S94.7Very high95.2Very high79 Ų7986.4 Ų86.455%0.55244%0.441SS*.G310 helixtrans-57.8-18173.356.90000115K415 E443K415-S417 VanDerWaalsContact C-N 3.27Å; K415-S417 PolarHBondContact O-N 2.94Å; S417-E443 WeakPolarHBondContact CB-OE1 3.5Å; S417-E443 PolarHBondContact N-OE1 3.39Å
418R95.9Very high95.3Very high167 Ų16784.3 Ų84.363%0.6343%0.429SS*.G310 helixtrans-88.6-14.3175.7-62.9-177.7170.7-178.7-9.4114.1K415 L416K415-R418 HydrophobicContact CB-CG 4.18Å; K415-R418 WeakPolarHBondContact O-CB 3.47Å; K415-R418 PolarHBondContact O-N 3.08Å; L416-R418 PolarHBondContact O-N 2.81Å
419Y96.5Very high95.5Very high68 Ų6878.5 Ų78.527%0.26741%0.408SS..SBendtrans-89.3153.8-173.5-59.6-40.9000112.3I414 L416 L423 R447I414-Y419 WeakPolarHBondContact CA-OH 3.25Å; I414-Y419 HydrophobicContact CG2-CE2 4.03Å; L416-Y419 HydrophobicContact CD2-CD2 3.89Å; L416-Y419 HydrophobicContact CD2-CE2 4.03Å; L416-Y419 PolarHBondContact O-N 3.06Å; Y419-L423 HydrophobicContact CD1-CD2 3.76Å; Y419-L423 HydrophobicContact CD2-CD2 3.96Å; Y419-L423 HydrophobicContact CE1-CD2 4.26Å; Y419-L423 HydrophobicContact CE2-CD2 4.47Å; Y419-L423 HydrophobicContact CG-CD2 3.61Å; Y419-L423 HydrophobicContact CG-CG 4.37Å; Y419-R447 VanDerWaalsContact O-CZ 3.28Å; Y419-R447 PolarHBondContact O-NH1 3.21Å; Y419-R447 PolarHBondContact O-NH2 3.14Å
420G96.8Very high95.5Very high46 Ų4673.2 Ų73.247%0.47438%0.378SS..  trans-66.515917100000112D422 L423 L424G420-D422 PolarHBondContact O-N 3.31Å; G420-L423 PolarHBondContact O-N 3.31Å; G420-L424 PolarHBondContact O-N 3.26Å
421E96.6Very high95.3Very high68 Ų6865.2 Ų65.232%0.31834%0.344SS..Hα-helixtrans-55.4-37.7174.548.4-179.5151.800112.7L423 L424 F425 W449 K489E421-L423 PolarHBondContact O-N 2.79Å; E421-L424 WeakPolarHBondContact O-CB 3.17Å; E421-L424 PolarHBondContact O-N 3.18Å; E421-L424 VanDerWaalsContact O-N 3.11Å; E421-F425 HydrophobicContact CB-CE2 4.19Å; E421-F425 WeakPolarHBondContact O-CD2 3.39Å; E421-F425 PolarHBondContact O-N 3.26Å; E421-W449 WeakPolarHBondContact OE2-CZ2 3.46Å; E421-K489 IonicContact OE1-NZ 2.67Å; E421-K489 PolarHBondContact OE1-NZ 3.03Å; E421-K489 IonicContact OE2-NZ 2.75Å; E421-K489 PolarHBondContact OE2-NZ 3.35Å
422D97.5Very high95.1Very high90 Ų9062.3 Ų62.348%0.48134%0.341SS..Hα-helixtrans-53.9-51.2175-179.683.9000113.2G420 L424 F425 Y426 W487G420-D422 PolarHBondContact O-N 3.31Å; D422-L424 VanDerWaalsContact C-N 3.31Å; D422-L424 PolarHBondContact O-N 3.19Å; D422-F425 PolarHBondContact O-N 3.26Å; D422-Y426 PolarHBondContact O-N 2.82Å; D422-W487 PolarHBondContact OD1-NE1 2.88Å
423L97Very high94.8Very high63 Ų6362.5 Ų62.533%0.3335%0.349SS..Hα-helixtrans-68.3-30177-179.956000112Y419 G420 E421 Y426 L427Y419-L423 HydrophobicContact CD1-CD2 3.76Å; Y419-L423 HydrophobicContact CD2-CD2 3.96Å; Y419-L423 HydrophobicContact CE1-CD2 4.26Å; Y419-L423 HydrophobicContact CE2-CD2 4.47Å; Y419-L423 HydrophobicContact CG-CD2 3.61Å; Y419-L423 HydrophobicContact CG-CG 4.37Å; G420-L423 PolarHBondContact O-N 3.31Å; E421-L423 PolarHBondContact O-N 2.79Å; L423-Y426 HydrophobicContact CD1-CD1 4.04Å; L423-Y426 PolarHBondContact O-N 3.15Å; L423-L427 HydrophobicContact CD1-CG 4.26Å; L423-L427 HydrophobicContact CG-CD1 4.49Å; L423-L427 VanDerWaalsContact O-CG 3.3Å; L423-L427 WeakPolarHBondContact O-CG 3.48Å; L423-L427 PolarHBondContact O-N 3.19Å
424L97.5Very high94.6Very high0 Ų062 Ų620%034%0.337CS..Hα-helixtrans-67.3-39.1172.4-63.8-179.9000111.7L416 G420 E421 D422 L427 Y428 E443 L444 R447L416-L424 HydrophobicContact CB-CD2 4.1Å; L416-L424 HydrophobicContact CD2-CD2 4.17Å; G420-L424 PolarHBondContact O-N 3.26Å; E421-L424 WeakPolarHBondContact O-CB 3.17Å; E421-L424 PolarHBondContact O-N 3.18Å; E421-L424 VanDerWaalsContact O-N 3.11Å; D422-L424 VanDerWaalsContact C-N 3.31Å; D422-L424 PolarHBondContact O-N 3.19Å; L424-L427 PolarHBondContact O-N 3.12Å; L424-Y428 VanDerWaalsContact O-CB 3.3Å; L424-Y428 WeakPolarHBondContact O-CB 3.19Å; L424-Y428 PolarHBondContact O-N 2.8Å; L424-E443 HydrophobicContact CD1-CB 3.8Å; L424-E443 HydrophobicContact CD2-CB 4.13Å; L424-L444 HydrophobicContact CB-CD1 4.44Å; L424-L444 HydrophobicContact CB-CD2 3.88Å; L424-L444 HydrophobicContact CB-CG 3.97Å; L424-L444 HydrophobicContact CD1-CD2 4.18Å; L424-L444 HydrophobicContact CD1-CG 4.32Å; L424-R447 VanDerWaalsContact CD1-CZ 3.46Å
425F98Very high94.6Very high1 Ų158.6 Ų58.60%0.00432%0.32CS..Hα-helixtrans-64.2-41.4171.8-67.8-56000111.8E421 D422 L427 Y428 Y429 L444 W449 W458 F482 W487E421-F425 HydrophobicContact CB-CE2 4.19Å; E421-F425 WeakPolarHBondContact O-CD2 3.39Å; E421-F425 PolarHBondContact O-N 3.26Å; D422-F425 PolarHBondContact O-N 3.26Å; F425-L427 PolarHBondContact O-N 3.03Å; F425-Y428 PolarHBondContact O-N 3.22Å; F425-Y429 HydrophobicContact CB-CD2 4.36Å; F425-Y429 HydrophobicContact CD1-CE2 4.24Å; F425-Y429 VanDerWaalsContact O-CD2 3.27Å; F425-Y429 WeakPolarHBondContact O-CD2 3.03Å; F425-Y429 PolarHBondContact O-N 3.04Å; F425-L444 HydrophobicContact CD1-CD1 3.82Å; F425-L444 HydrophobicContact CD1-CD2 4.16Å; F425-L444 HydrophobicContact CE1-CD1 3.78Å; F425-L444 HydrophobicContact CE1-CD2 3.7Å; F425-L444 HydrophobicContact CE1-CG 4.4Å; F425-L444 HydrophobicContact CE2-CD2 4.32Å; F425-L444 HydrophobicContact CZ-CD2 3.79Å; F425-W449 HydrophobicContact CE1-CD2 4.49Å; F425-W449 HydrophobicContact CE1-CE3 4.45Å; F425-W449 HydrophobicContact CE2-CH2 4.26Å; F425-W449 HydrophobicContact CE2-CZ2 4.02Å; F425-W449 AromaticContact CZ-CD2 3.82Å; F425-W449 HydrophobicContact CZ-CD2 3.82Å; F425-W449 AromaticContact CZ-CE2 3.69Å; F425-W449 AromaticContact CZ-CE3 3.92Å; F425-W449 HydrophobicContact CZ-CE3 3.92Å; F425-W449 AromaticContact CZ-CH2 3.77Å; F425-W449 HydrophobicContact CZ-CH2 3.77Å; F425-W449 AromaticContact CZ-CZ2 3.68Å; F425-W449 HydrophobicContact CZ-CZ2 3.68Å; F425-W449 AromaticContact CZ-CZ3 3.9Å; F425-W449 HydrophobicContact CZ-CZ3 3.9Å; F425-W458 HydrophobicContact CD1-CG 4.47Å; F425-W458 HydrophobicContact CE1-CB 3.7Å; F425-W458 AromaticContact CE1-CD1 3.93Å; F425-W458 AromaticContact CE1-CG 3.83Å; F425-W458 HydrophobicContact CE1-CG 3.83Å; F425-W458 HydrophobicContact CZ-CB 4.42Å; F425-F482 HydrophobicContact CB-CD1 4.1Å; F425-F482 HydrophobicContact CB-CE1 3.7Å; F425-F482 HydrophobicContact CB-CE2 4.32Å; F425-F482 HydrophobicContact CB-CZ 3.83Å; F425-F482 HydrophobicContact CD1-CB 4.21Å; F425-F482 AromaticContact CD1-CD1 3.92Å; F425-F482 HydrophobicContact CD1-CD1 3.92Å; F425-F482 HydrophobicContact CD1-CD2 4.47Å; F425-F482 HydrophobicContact CD1-CE1 4.4Å; F425-F482 AromaticContact CD1-CG 3.94Å; F425-F482 HydrophobicContact CD1-CG 3.94Å; F425-F482 HydrophobicContact CD2-CB 4.44Å; F425-F482 HydrophobicContact CD2-CD1 4.14Å; F425-F482 AromaticContact CD2-CD2 3.41Å; F425-F482 HydrophobicContact CD2-CD2 3.41Å; F425-F482 VanDerWaalsContact CD2-CD2 3.41Å; F425-F482 HydrophobicContact CD2-CE1 4.23Å; F425-F482 AromaticContact CD2-CE2 3.53Å; F425-F482 HydrophobicContact CD2-CE2 3.53Å; F425-F482 AromaticContact CD2-CG 3.73Å; F425-F482 HydrophobicContact CD2-CG 3.73Å; F425-F482 AromaticContact CD2-CZ 3.93Å; F425-F482 HydrophobicContact CD2-CZ 3.93Å; F425-F482 HydrophobicContact CE1-CB 3.83Å; F425-F482 HydrophobicContact CE1-CD1 4.4Å; F425-F482 HydrophobicContact CE1-CG 4.01Å; F425-F482 HydrophobicContact CE2-CB 4.07Å; F425-F482 AromaticContact CE2-CD2 3.49Å; F425-F482 HydrophobicContact CE2-CD2 3.49Å; F425-F482 VanDerWaalsContact CE2-CD2 3.49Å; F425-F482 HydrophobicContact CE2-CE2 4.06Å; F425-F482 AromaticContact CE2-CG 3.8Å; F425-F482 HydrophobicContact CE2-CG 3.8Å; F425-F482 AromaticContact CG-CD1 3.79Å; F425-F482 HydrophobicContact CG-CD1 3.79Å; F425-F482 AromaticContact CG-CD2 3.95Å; F425-F482 HydrophobicContact CG-CD2 3.95Å; F425-F482 AromaticContact CG-CE1 3.87Å; F425-F482 HydrophobicContact CG-CE1 3.87Å; F425-F482 HydrophobicContact CG-CE2 4.04Å; F425-F482 AromaticContact CG-CG 3.81Å; F425-F482 HydrophobicContact CG-CG 3.81Å; F425-F482 AromaticContact CG-CZ 3.99Å; F425-F482 HydrophobicContact CG-CZ 3.99Å; F425-F482 HydrophobicContact CZ-CB 3.74Å; F425-F482 HydrophobicContact CZ-CD2 4.08Å; F425-F482 AromaticContact CZ-CG 3.94Å; F425-F482 HydrophobicContact CZ-CG 3.94Å; F425-W487 HydrophobicContact CB-CH2 4.07Å; F425-W487 HydrophobicContact CB-CZ2 4.36Å
426Y97.1Very high94.5Very high99 Ų9955.9 Ų55.939%0.38831%0.31SS..Hα-helixtrans-57.3-51.4175.3177.9-92.4000111.3D422 L423 Y428 Y429 M430D422-Y426 PolarHBondContact O-N 2.82Å; L423-Y426 HydrophobicContact CD1-CD1 4.04Å; L423-Y426 PolarHBondContact O-N 3.15Å; Y426-Y428 VanDerWaalsContact C-N 3.34Å; Y426-Y428 PolarHBondContact O-N 3.06Å; Y426-Y429 PolarHBondContact O-N 3.07Å; Y426-M430 HydrophobicContact CD1-CG 4.39Å; Y426-M430 HydrophobicContact CD2-CG 3.89Å; Y426-M430 HydrophobicContact CE1-CG 4.17Å; Y426-M430 HydrophobicContact CE2-CG 3.65Å; Y426-M430 HydrophobicContact CE2-SD 4.37Å; Y426-M430 HydrophobicContact CG-CG 4.25Å; Y426-M430 WeakPolarHBondContact O-CB 3.29Å; Y426-M430 WeakPolarHBondContact O-CG 3.41Å; Y426-M430 PolarHBondContact O-N 3.12Å
427L96.4Very high94.6Very high22 Ų2257.2 Ų57.212%0.11532%0.316CS..Hα-helixtrans-63-39177.1-65.6178.5000112.4L416 L423 L424 F425 N431 L436 A440L416-L427 HydrophobicContact CD2-CD1 3.51Å; L423-L427 HydrophobicContact CD1-CG 4.26Å; L423-L427 HydrophobicContact CG-CD1 4.49Å; L423-L427 VanDerWaalsContact O-CG 3.3Å; L423-L427 WeakPolarHBondContact O-CG 3.48Å; L423-L427 PolarHBondContact O-N 3.19Å; L424-L427 PolarHBondContact O-N 3.12Å; F425-L427 PolarHBondContact O-N 3.03Å; L427-N431 VanDerWaalsContact O-CB 3.3Å; L427-N431 WeakPolarHBondContact O-CB 3.48Å; L427-N431 PolarHBondContact O-N 2.95Å; L427-N431 VanDerWaalsContact O-N 3.13Å; L427-N431 PolarHBondContact O-OD1 3.42Å; L427-L436 HydrophobicContact CB-CG 4.43Å; L427-L436 HydrophobicContact CD1-CD1 4.29Å; L427-L436 HydrophobicContact CD1-CG 4.4Å; L427-L436 HydrophobicContact CD2-CD2 3.75Å; L427-L436 HydrophobicContact CD2-CG 4.21Å; L427-A440 HydrophobicContact CB-CB 4Å
428Y96.8Very high94.6Very high26 Ų2655.6 Ų55.610%0.10230%0.301CS..Hα-helixtrans-64-45.9178180-92.8000113L424 F425 Y426 Q437 A441 Y451 W458L424-Y428 VanDerWaalsContact O-CB 3.3Å; L424-Y428 WeakPolarHBondContact O-CB 3.19Å; L424-Y428 PolarHBondContact O-N 2.8Å; F425-Y428 PolarHBondContact O-N 3.22Å; Y426-Y428 VanDerWaalsContact C-N 3.34Å; Y426-Y428 PolarHBondContact O-N 3.06Å; Y428-Q437 HydrophobicContact CD2-CG 3.71Å; Y428-Q437 HydrophobicContact CE2-CG 3.82Å; Y428-Q437 HydrophobicContact CG-CG 4.37Å; Y428-Q437 WeakPolarHBondContact O-CG 3.38Å; Y428-Q437 PolarHBondContact O-NE2 3.27Å; Y428-A441 HydrophobicContact CD2-CB 3.91Å; Y428-A441 HydrophobicContact CE2-CB 3.9Å; Y428-Y451 HydrophobicContact CE1-CE2 4.13Å; Y428-Y451 VanDerWaalsContact OH-CE2 3.29Å; Y428-Y451 WeakPolarHBondContact OH-CE2 3.35Å; Y428-W458 AromaticContact CD1-CD1 3.91Å; Y428-W458 AromaticContact CD1-NE1 3.21Å; Y428-W458 AromaticContact CD2-CZ2 3.83Å; Y428-W458 HydrophobicContact CD2-CZ2 3.83Å; Y428-W458 AromaticContact CD2-NE1 3.66Å; Y428-W458 AromaticContact CE1-CD1 3.88Å; Y428-W458 AromaticContact CE1-NE1 3.14Å; Y428-W458 AromaticContact CE2-CE2 3.9Å; Y428-W458 AromaticContact CE2-CZ2 3.59Å; Y428-W458 HydrophobicContact CE2-CZ2 3.59Å; Y428-W458 AromaticContact CE2-NE1 3.61Å; Y428-W458 HydrophobicContact CG-CZ2 4.48Å; Y428-W458 AromaticContact CG-NE1 3.48Å; Y428-W458 AromaticContact CZ-CE2 3.96Å; Y428-W458 AromaticContact CZ-NE1 3.35Å; Y428-W458 VanDerWaalsContact CZ-NE1 3.35Å
429Y96.1Very high94.6Very high64 Ų6450.7 Ų50.725%0.25129%0.287SS..Hα-helixtrans-82.9-27.1-176.4-73.6-70000113.4F425 Y426 F482 C484F425-Y429 HydrophobicContact CB-CD2 4.36Å; F425-Y429 HydrophobicContact CD1-CE2 4.24Å; F425-Y429 VanDerWaalsContact O-CD2 3.27Å; F425-Y429 WeakPolarHBondContact O-CD2 3.03Å; F425-Y429 PolarHBondContact O-N 3.04Å; Y426-Y429 PolarHBondContact O-N 3.07Å; Y429-F482 HydrophobicContact CD2-CE1 4.41Å; Y429-F482 AromaticContact CE2-CD1 3.82Å; Y429-F482 HydrophobicContact CE2-CD1 3.82Å; Y429-F482 HydrophobicContact CE2-CE1 4.12Å; Y429-C484 HydrophobicContact CD1-CB 4.32Å; Y429-C484 HydrophobicContact CD2-CB 4.06Å; Y429-C484 HydrophobicContact CE1-CB 4.12Å; Y429-C484 HydrophobicContact CE2-CB 3.87Å; Y429-C484 HydrophobicContact CG-CB 4.31Å
430M94.1Very high94.6Very high51 Ų5147.5 Ų47.525%0.25127%0.274SS..Hα-helixtrans-85.8-32.1179.8-64.6-63.5-69.200113.8R389 P390 Y426 G432R389-M430 WeakPolarHBondContact CD-O 3.44Å; P390-M430 HydrophobicContact CG-CE 4.29Å; Y426-M430 HydrophobicContact CD1-CG 4.39Å; Y426-M430 HydrophobicContact CD2-CG 3.89Å; Y426-M430 HydrophobicContact CE1-CG 4.17Å; Y426-M430 HydrophobicContact CE2-CG 3.65Å; Y426-M430 HydrophobicContact CE2-SD 4.37Å; Y426-M430 HydrophobicContact CG-CG 4.25Å; Y426-M430 WeakPolarHBondContact O-CB 3.29Å; Y426-M430 WeakPolarHBondContact O-CG 3.41Å; Y426-M430 PolarHBondContact O-N 3.12Å; M430-G432 VanDerWaalsContact C-N 3.34Å; M430-G432 PolarHBondContact O-N 2.88Å
431N92.3Very high94.6Very high16 Ų1645.6 Ų45.69%0.08625%0.254CS..SBendtrans-95.544.3-175.7-70.178.3000112.9L427 G433 D434 L436 Q437L427-N431 VanDerWaalsContact O-CB 3.3Å; L427-N431 WeakPolarHBondContact O-CB 3.48Å; L427-N431 PolarHBondContact O-N 2.95Å; L427-N431 VanDerWaalsContact O-N 3.13Å; L427-N431 PolarHBondContact O-OD1 3.42Å; N431-G433 PolarHBondContact O-N 3.35Å; N431-D434 HydrophobicContact CB-CB 4.16Å; N431-D434 PolarHBondContact ND2-OD2 3.43Å; N431-D434 WeakPolarHBondContact O-CB 3.36Å; N431-D434 PolarHBondContact O-N 3.4Å; N431-L436 HydrophobicContact CB-CB 4.05Å; N431-Q437 HydrophobicContact CB-CB 4.17Å; N431-Q437 WeakPolarHBondContact O-CB 3.41Å
432G89.1Confident94.6Very high49 Ų4943.3 Ų43.351%0.50525%0.245SC..THydrogen-bonded Turntrans-51.8125.3178.600000113.3M430 D434M430-G432 VanDerWaalsContact C-N 3.34Å; M430-G432 PolarHBondContact O-N 2.88Å; G432-D434 VanDerWaalsContact C-N 3.27Å; G432-D434 PolarHBondContact O-N 3.26Å
433G86.4Confident94.5Very high72 Ų7240.9 Ų40.974%0.74223%0.231SC*.THydrogen-bonded Turntrans76.17179.300000115.5N431N431-G433 PolarHBondContact O-N 3.35Å
434D89.3Confident94.5Very high61 Ų6137.9 Ų37.933%0.32622%0.215SC..SBendtrans-111.4155-177.5173.625000111.2N431 G432 L436 Q437N431-D434 HydrophobicContact CB-CB 4.16Å; N431-D434 PolarHBondContact ND2-OD2 3.43Å; N431-D434 WeakPolarHBondContact O-CB 3.36Å; N431-D434 PolarHBondContact O-N 3.4Å; G432-D434 VanDerWaalsContact C-N 3.27Å; G432-D434 PolarHBondContact O-N 3.26Å; D434-L436 PolarHBondContact O-N 3.14Å; D434-L436 VanDerWaalsContact O-N 3.12Å; D434-Q437 PolarHBondContact O-N 3.24Å; D434-Q437 VanDerWaalsContact O-N 3.17Å
435L91.4Very high94.5Very high61 Ų6139.8 Ų39.832%0.31922%0.223SC..Hα-helixtrans-55.7-31.4179.2177.761.5000111.7L438 L439 V507 F511L435-L438 WeakPolarHBondContact O-CB 3.42Å; L435-L438 PolarHBondContact O-N 3.34Å; L435-L439 HydrophobicContact CD1-CD1 4.39Å; L435-L439 HydrophobicContact CD1-CG 4.13Å; L435-L439 HydrophobicContact CD2-CD1 4.41Å; L435-L439 HydrophobicContact CG-CD1 3.93Å; L435-L439 HydrophobicContact CG-CG 4.15Å; L435-L439 VanDerWaalsContact O-CG 3.32Å; L435-L439 WeakPolarHBondContact O-CG 3.14Å; L435-L439 PolarHBondContact O-N 2.9Å; L435-V507 HydrophobicContact CD1-CG1 3.87Å; L435-F511 HydrophobicContact CB-CE2 4.29Å
436L92.7Very high94.4Very high50 Ų5043.5 Ų43.526%0.26224%0.243SC..Hα-helixtrans-68.4-34.5-178.3-166.655.1000113.4L416 L427 N431 D434 L438 A440L416-L436 HydrophobicContact CD2-CD1 4.3Å; L427-L436 HydrophobicContact CB-CG 4.43Å; L427-L436 HydrophobicContact CD1-CD1 4.29Å; L427-L436 HydrophobicContact CD1-CG 4.4Å; L427-L436 HydrophobicContact CD2-CD2 3.75Å; L427-L436 HydrophobicContact CD2-CG 4.21Å; N431-L436 HydrophobicContact CB-CB 4.05Å; D434-L436 PolarHBondContact O-N 3.14Å; D434-L436 VanDerWaalsContact O-N 3.12Å; L436-L438 VanDerWaalsContact C-N 3.32Å; L436-A440 WeakPolarHBondContact O-CB 3.21Å; L436-A440 PolarHBondContact O-N 2.83Å
437Q94.9Very high94.4Very high49 Ų4942.4 Ų42.423%0.22924%0.238CC..Hα-helixtrans-62.4-42.8171.2161.6177.774.600110.7Y428 N431 D434 A440 A441Y428-Q437 HydrophobicContact CD2-CG 3.71Å; Y428-Q437 HydrophobicContact CE2-CG 3.82Å; Y428-Q437 HydrophobicContact CG-CG 4.37Å; Y428-Q437 WeakPolarHBondContact O-CG 3.38Å; Y428-Q437 PolarHBondContact O-NE2 3.27Å; N431-Q437 HydrophobicContact CB-CB 4.17Å; N431-Q437 WeakPolarHBondContact O-CB 3.41Å; D434-Q437 PolarHBondContact O-N 3.24Å; D434-Q437 VanDerWaalsContact O-N 3.17Å; Q437-A440 PolarHBondContact O-N 3.1Å; Q437-A441 WeakPolarHBondContact O-CB 3.32Å; Q437-A441 PolarHBondContact O-N 2.99Å
438L94.3Very high94.4Very high44 Ų4446.4 Ų46.423%0.2326%0.259CS..Hα-helixtrans-68.8-41-178.7-173.560.4000112.3L435 L436 A441 V442 P505 H506 V507L435-L438 WeakPolarHBondContact O-CB 3.42Å; L435-L438 PolarHBondContact O-N 3.34Å; L436-L438 VanDerWaalsContact C-N 3.32Å; L438-A441 WeakPolarHBondContact O-CB 3.16Å; L438-A441 PolarHBondContact O-N 3.22Å; L438-V442 WeakPolarHBondContact O-CG2 3.42Å; L438-V442 PolarHBondContact O-N 3.41Å; L438-P505 HydrophobicContact CD1-CB 3.61Å; L438-H506 WeakPolarHBondContact CD2-O 3.35Å; L438-V507 HydrophobicContact CD2-CB 4.45Å; L438-V507 HydrophobicContact CD2-CG2 4.37Å; L438-V507 HydrophobicContact CG-CG2 4.24Å
439L94.7Very high94.4Very high65 Ų6545.5 Ų45.534%0.3426%0.256SS..Hα-helixtrans-65.7-38.4173.8-67.1173.3000111.9L416 L435 V442 E443 V507L416-L439 HydrophobicContact CD1-CB 3.43Å; L416-L439 VanDerWaalsContact CD1-CB 3.43Å; L435-L439 HydrophobicContact CD1-CD1 4.39Å; L435-L439 HydrophobicContact CD1-CG 4.13Å; L435-L439 HydrophobicContact CD2-CD1 4.41Å; L435-L439 HydrophobicContact CG-CD1 3.93Å; L435-L439 HydrophobicContact CG-CG 4.15Å; L435-L439 VanDerWaalsContact O-CG 3.32Å; L435-L439 WeakPolarHBondContact O-CG 3.14Å; L435-L439 PolarHBondContact O-N 2.9Å; L439-V442 PolarHBondContact O-N 3.28Å; L439-E443 PolarHBondContact O-N 2.99Å; L439-V507 HydrophobicContact CD2-CG2 4.43Å
440A96.7Very high94.4Very high0 Ų045.7 Ų45.70%026%0.256CS..Hα-helixtrans-63.9-40.4172.200000111.8L427 L436 Q437 V442 E443 L444L427-A440 HydrophobicContact CB-CB 4Å; L436-A440 WeakPolarHBondContact O-CB 3.21Å; L436-A440 PolarHBondContact O-N 2.83Å; Q437-A440 PolarHBondContact O-N 3.1Å; A440-V442 PolarHBondContact O-N 2.82Å; A440-E443 PolarHBondContact O-N 2.86Å; A440-L444 WeakPolarHBondContact O-CG 3.23Å; A440-L444 PolarHBondContact O-N 2.97Å
441A96.9Very high94.6Very high6 Ų645.4 Ų45.45%0.0525%0.253CS..Hα-helixtrans-61.5-40.5175.300000112.7Y428 Q437 L438 L444 F445 W458 P505Y428-A441 HydrophobicContact CD2-CB 3.91Å; Y428-A441 HydrophobicContact CE2-CB 3.9Å; Q437-A441 WeakPolarHBondContact O-CB 3.32Å; Q437-A441 PolarHBondContact O-N 2.99Å; L438-A441 WeakPolarHBondContact O-CB 3.16Å; L438-A441 PolarHBondContact O-N 3.22Å; A441-L444 PolarHBondContact O-N 2.64Å; A441-F445 WeakPolarHBondContact O-CB 3.48Å; A441-F445 PolarHBondContact O-N 3.03Å; A441-W458 HydrophobicContact CB-CH2 3.81Å; A441-W458 HydrophobicContact CB-CZ2 3.62Å; A441-W458 WeakPolarHBondContact O-CH2 3.4Å; A441-P505 HydrophobicContact CB-CB 4.24Å; A441-P505 HydrophobicContact CB-CG 3.78Å
442V96.5Very high94.8Very high21 Ų2145.2 Ų45.213%0.12725%0.251CS..Hα-helixtrans-63-41.4174.5171.60000111.5L438 L439 A440 F445 N446 P505 V507L438-V442 WeakPolarHBondContact O-CG2 3.42Å; L438-V442 PolarHBondContact O-N 3.41Å; L439-V442 PolarHBondContact O-N 3.28Å; A440-V442 PolarHBondContact O-N 2.82Å; V442-F445 PolarHBondContact O-N 3.27Å; V442-N446 PolarHBondContact O-N 2.96Å; V442-N446 PolarHBondContact O-ND2 2.78Å; V442-N446 PolarHBondContact O-OD1 2.91Å; V442-P505 HydrophobicContact CG2-CB 4Å; V442-P505 HydrophobicContact CG2-CG 4.43Å; V442-V507 HydrophobicContact CG2-CG2 3.97Å
443E96.7Very high95.1Very high39 Ų3946.6 Ų46.618%0.18224%0.243CC..Hα-helixtrans-73.2-33.5178.9-75.2-80-172.900113.2L416 S417 L424 L439 A440 N446 R447L416-E443 HydrophobicContact CB-CG 3.74Å; L416-E443 HydrophobicContact CD1-CG 4.44Å; S417-E443 WeakPolarHBondContact CB-OE1 3.5Å; S417-E443 PolarHBondContact N-OE1 3.39Å; L424-E443 HydrophobicContact CD1-CB 3.8Å; L424-E443 HydrophobicContact CD2-CB 4.13Å; L439-E443 PolarHBondContact O-N 2.99Å; A440-E443 PolarHBondContact O-N 2.86Å; E443-N446 PolarHBondContact O-N 2.92Å; E443-R447 WeakPolarHBondContact O-CD 3.25Å; E443-R447 VanDerWaalsContact O-CG 3.27Å; E443-R447 WeakPolarHBondContact O-CG 3.36Å; E443-R447 PolarHBondContact O-N 3.11Å
444L97.5Very high95.6Very high0 Ų049 Ų490%024%0.235CC..Hα-helixtrans-62.9-44.6167.7-73.1170.7000110.6L424 F425 A440 A441 N446 R447 W449 W458L424-L444 HydrophobicContact CB-CD1 4.44Å; L424-L444 HydrophobicContact CB-CD2 3.88Å; L424-L444 HydrophobicContact CB-CG 3.97Å; L424-L444 HydrophobicContact CD1-CD2 4.18Å; L424-L444 HydrophobicContact CD1-CG 4.32Å; F425-L444 HydrophobicContact CD1-CD1 3.82Å; F425-L444 HydrophobicContact CD1-CD2 4.16Å; F425-L444 HydrophobicContact CE1-CD1 3.78Å; F425-L444 HydrophobicContact CE1-CD2 3.7Å; F425-L444 HydrophobicContact CE1-CG 4.4Å; F425-L444 HydrophobicContact CE2-CD2 4.32Å; F425-L444 HydrophobicContact CZ-CD2 3.79Å; A440-L444 WeakPolarHBondContact O-CG 3.23Å; A440-L444 PolarHBondContact O-N 2.97Å; A441-L444 PolarHBondContact O-N 2.64Å; L444-N446 VanDerWaalsContact C-N 3.35Å; L444-N446 PolarHBondContact O-N 2.66Å; L444-R447 CarbonylContact O-C 3.51Å; L444-R447 WeakPolarHBondContact O-CA 3.31Å; L444-R447 PolarHBondContact O-N 2.87Å; L444-W449 HydrophobicContact CB-CB 4.09Å; L444-W449 HydrophobicContact CB-CG 4.49Å; L444-W449 HydrophobicContact CD2-CG 4.28Å; L444-W449 WeakPolarHBondContact O-CB 3.47Å; L444-W449 PolarHBondContact O-N 2.89Å; L444-W449 VanDerWaalsContact O-N 3.11Å; L444-W458 HydrophobicContact CB-CD2 4.48Å; L444-W458 HydrophobicContact CB-CE3 4.22Å; L444-W458 HydrophobicContact CB-CH2 3.99Å; L444-W458 HydrophobicContact CB-CZ2 4.29Å; L444-W458 HydrophobicContact CB-CZ3 3.96Å; L444-W458 HydrophobicContact CD1-CD2 4Å; L444-W458 HydrophobicContact CD1-CG 4.36Å; L444-W458 HydrophobicContact CD1-CH2 4.46Å; L444-W458 HydrophobicContact CD1-CZ2 3.92Å
445F96.9Very high95.8Very high40 Ų4051.1 Ų51.118%0.17524%0.243CC..Hα-helixtrans-60.6-41.4176.5-169.9-80.2000112.8A441 V442 R447 D448 W449 R450 R504A441-F445 WeakPolarHBondContact O-CB 3.48Å; A441-F445 PolarHBondContact O-N 3.03Å; V442-F445 PolarHBondContact O-N 3.27Å; F445-R447 PolarHBondContact O-N 3.14Å; F445-D448 PolarHBondContact O-N 2.78Å; F445-W449 WeakPolarHBondContact CA-O 3.42Å; F445-R450 PolarHBondContact O-NH1 2.71Å; F445-R504 HydrophobicContact CD1-CB 4.22Å; F445-R504 HydrophobicContact CD1-CG 4Å; F445-R504 HydrophobicContact CE1-CB 3.87Å; F445-R504 HydrophobicContact CE1-CG 4.06Å; F445-R504 HydrophobicContact CE2-CB 4.24Å; F445-R504 HydrophobicContact CG-CG 4.43Å; F445-R504 HydrophobicContact CZ-CB 3.87Å
446N96.3Very high96Very high79 Ų7956.9 Ų56.942%0.42226%0.261SS..THydrogen-bonded Turntrans-63.2-16.3174.1-65.3-21.8000113.3V442 E443 L444V442-N446 PolarHBondContact O-N 2.96Å; V442-N446 PolarHBondContact O-ND2 2.78Å; V442-N446 PolarHBondContact O-OD1 2.91Å; E443-N446 PolarHBondContact O-N 2.92Å; L444-N446 VanDerWaalsContact C-N 3.35Å; L444-N446 PolarHBondContact O-N 2.66Å
447R96.2Very high96.3Very high76 Ų7655.5 Ų55.529%0.28725%0.254SS..THydrogen-bonded Turntrans-107.828.6178.5-62.5170.5-167.2-1534.5112L416 Y419 L424 E443 L444 F445 W449L416-R447 PolarHBondContact O-NH2 3.11Å; Y419-R447 VanDerWaalsContact O-CZ 3.28Å; Y419-R447 PolarHBondContact O-NH1 3.21Å; Y419-R447 PolarHBondContact O-NH2 3.14Å; L424-R447 VanDerWaalsContact CD1-CZ 3.46Å; E443-R447 WeakPolarHBondContact O-CD 3.25Å; E443-R447 VanDerWaalsContact O-CG 3.27Å; E443-R447 WeakPolarHBondContact O-CG 3.36Å; E443-R447 PolarHBondContact O-N 3.11Å; L444-R447 CarbonylContact O-C 3.51Å; L444-R447 WeakPolarHBondContact O-CA 3.31Å; L444-R447 PolarHBondContact O-N 2.87Å; F445-R447 PolarHBondContact O-N 3.14Å; R447-W449 PolarHBondContact O-N 3.38Å; R447-W449 VanDerWaalsContact O-N 3.16Å
448D95.8Very high96.4Very high105 Ų10553.3 Ų53.356%0.56124%0.244SC*.THydrogen-bonded Turntrans57.425.3178.7-66.2-48.9000116.3F445 R450 T460F445-D448 PolarHBondContact O-N 2.78Å; D448-R450 IonicContact OD1-CZ 3.47Å; D448-R450 IonicContact OD1-NH2 3.67Å; D448-R450 PolarHBondContact OD1-NH2 3.02Å; D448-T460 WeakPolarHBondContact O-CB 3.35Å; D448-T460 PolarHBondContact O-OG1 3.23Å
449W97.4Very high96.6Very high8 Ų851.4 Ų51.43%0.0323%0.234CC..  trans-84.1141.6161.9-65.585.8000110.6E421 F425 L444 F445 R447 W458 I459 T460 F482 K489E421-W449 WeakPolarHBondContact OE2-CZ2 3.46Å; F425-W449 HydrophobicContact CE1-CD2 4.49Å; F425-W449 HydrophobicContact CE1-CE3 4.45Å; F425-W449 HydrophobicContact CE2-CH2 4.26Å; F425-W449 HydrophobicContact CE2-CZ2 4.02Å; F425-W449 AromaticContact CZ-CD2 3.82Å; F425-W449 HydrophobicContact CZ-CD2 3.82Å; F425-W449 AromaticContact CZ-CE2 3.69Å; F425-W449 AromaticContact CZ-CE3 3.92Å; F425-W449 HydrophobicContact CZ-CE3 3.92Å; F425-W449 AromaticContact CZ-CH2 3.77Å; F425-W449 HydrophobicContact CZ-CH2 3.77Å; F425-W449 AromaticContact CZ-CZ2 3.68Å; F425-W449 HydrophobicContact CZ-CZ2 3.68Å; F425-W449 AromaticContact CZ-CZ3 3.9Å; F425-W449 HydrophobicContact CZ-CZ3 3.9Å; L444-W449 HydrophobicContact CB-CB 4.09Å; L444-W449 HydrophobicContact CB-CG 4.49Å; L444-W449 HydrophobicContact CD2-CG 4.28Å; L444-W449 WeakPolarHBondContact O-CB 3.47Å; L444-W449 PolarHBondContact O-N 2.89Å; L444-W449 VanDerWaalsContact O-N 3.11Å; F445-W449 WeakPolarHBondContact CA-O 3.42Å; R447-W449 PolarHBondContact O-N 3.38Å; R447-W449 VanDerWaalsContact O-N 3.16Å; W449-W458 HydrophobicContact CB-CE3 3.67Å; W449-W458 HydrophobicContact CB-CZ3 4.13Å; W449-W458 HydrophobicContact CE3-CB 3.8Å; W449-W458 HydrophobicContact CZ3-CB 4.32Å; W449-W458 WeakPolarHBondContact CZ3-O 3.44Å; W449-I459 CarbonylContact C-O 3.55Å; W449-I459 WeakPolarHBondContact CA-O 3.43Å; W449-T460 HydrophobicContact CD2-CG2 3.85Å; W449-T460 HydrophobicContact CE3-CG2 3.85Å; W449-T460 HydrophobicContact CH2-CG2 3.65Å; W449-T460 HydrophobicContact CZ2-CG2 3.6Å; W449-T460 HydrophobicContact CZ3-CG2 3.76Å; W449-F482 HydrophobicContact CH2-CB 4.47Å; W449-F482 HydrophobicContact CZ3-CB 4.31Å; W449-K489 HydrophobicContact CH2-CD 3.63Å; W449-K489 HydrophobicContact CH2-CG 4.06Å; W449-K489 HydrophobicContact CZ2-CD 3.67Å
450R97Very high96.6Very high68 Ų6849.5 Ų49.526%0.25723%0.225SC..EExtended strand (participates in β ladder)trans-126.5136.9173.1-57.9-64.5173.9-95.7-6.2108.2F445 D448 I459 L501F445-R450 PolarHBondContact O-NH1 2.71Å; D448-R450 IonicContact OD1-CZ 3.47Å; D448-R450 IonicContact OD1-NH2 3.67Å; D448-R450 PolarHBondContact OD1-NH2 3.02Å; R450-I459 PolarHBondContact N-O 2.96Å; R450-I459 PolarHBondContact O-N 3.5Å; R450-L501 HydrophobicContact CB-CD1 4.34Å; R450-L501 HydrophobicContact CB-CD2 4.33Å
451Y97.6Very high96.5Very high44 Ų4455 Ų5517%0.17325%0.246CC..EExtended strand (participates in β ladder)trans-90.5132.1178.7-175.4-101000109.5Y428 R456 W458 L501 E502Y428-Y451 HydrophobicContact CE1-CE2 4.13Å; Y428-Y451 VanDerWaalsContact OH-CE2 3.29Å; Y428-Y451 WeakPolarHBondContact OH-CE2 3.35Å; Y451-R456 WeakPolarHBondContact OH-CA 3.35Å; Y451-R456 WeakPolarHBondContact OH-CB 3.49Å; Y451-W458 AromaticContact CD2-CD1 3.88Å; Y451-W458 AromaticContact CD2-CD2 3.99Å; Y451-W458 HydrophobicContact CD2-CD2 3.99Å; Y451-W458 AromaticContact CD2-CE2 3.87Å; Y451-W458 HydrophobicContact CD2-CG 4.03Å; Y451-W458 HydrophobicContact CD2-CZ2 4.48Å; Y451-W458 AromaticContact CD2-NE1 3.77Å; Y451-L501 CarbonylContact O-C 3.56Å; Y451-L501 WeakPolarHBondContact O-CA 3.48Å; Y451-E502 HydrophobicContact CD1-CG 4.03Å; Y451-E502 PolarHBondContact O-N 2.88Å
452H97Very high96.1Very high13 Ų1355 Ų556%0.0625%0.246CC..BIsolated β-bridgetrans-93.5119.3178.2-166.2-61000109.8E454 E455 R456 V457 I459 L501H452-E454 PolarHBondContact ND1-N 3.3Å; H452-E454 PolarHBondContact O-N 3.32Å; H452-E455 HydrophobicContact CB-CB 4.23Å; H452-E455 PolarHBondContact ND1-N 3.48Å; H452-R456 VanDerWaalsContact O-CA 3.25Å; H452-R456 WeakPolarHBondContact O-CA 3.39Å; H452-R456 PolarHBondContact O-N 3.16Å; H452-V457 PolarHBondContact N-O 3.44Å; H452-I459 HydrophobicContact CB-CD1 3.89Å; H452-L501 HydrophobicContact CB-CD2 4.25Å
453K95.6Very high95.8Very high78 Ų7859.6 Ų59.634%0.33928%0.276SS..THydrogen-bonded Turntrans-59-43.5-172.6-66167.1-1751580112.8R456 D499 K500 L501 E502K453-R456 WeakPolarHBondContact O-CG 3.21Å; K453-D499 PolarHBondContact NZ-O 3.15Å; K453-K500 WeakPolarHBondContact CB-O 3.44Å; K453-K500 WeakPolarHBondContact CG-O 3.29Å; K453-K500 PolarHBondContact N-O 3.08Å; K453-L501 WeakPolarHBondContact CE-O 3.39Å; K453-L501 PolarHBondContact NZ-O 3.08Å; K453-E502 WeakPolarHBondContact CE-OE1 3.5Å; K453-E502 HydrophobicContact CG-CG 3.9Å; K453-E502 WeakPolarHBondContact CG-OE1 3.16Å
454E95.6Very high95.2Very high122 Ų12262 Ų6257%0.5731%0.311SS*.THydrogen-bonded Turntrans-84.7-53.5-175.4-61.5178.7164.100113.3H452 R456 K500H452-E454 PolarHBondContact ND1-N 3.3Å; H452-E454 PolarHBondContact O-N 3.32Å; E454-R456 PolarHBondContact O-N 3.01Å; E454-K500 HydrophobicContact CG-CD 4.39Å; E454-K500 WeakPolarHBondContact OE1-CD 3.17Å; E454-K500 WeakPolarHBondContact OE1-CE 3.36Å; E454-K500 IonicContact OE1-NZ 2.73Å; E454-K500 PolarHBondContact OE1-NZ 2.97Å; E454-K500 IonicContact OE2-NZ 3.63Å
455E94.6Very high94.8Very high106 Ų10666.7 Ų66.750%0.49533%0.334SS..THydrogen-bonded Turntrans-66.1-16.6174.6-64.6-88.9132.300113.7H452 V457 K492H452-E455 HydrophobicContact CB-CB 4.23Å; H452-E455 PolarHBondContact ND1-N 3.48Å; E455-V457 VanDerWaalsContact C-N 3.3Å; E455-V457 HydrophobicContact CB-CG2 3.91Å; E455-V457 PolarHBondContact O-N 3.15Å; E455-K492 IonicContact OE2-NZ 2.71Å; E455-K492 PolarHBondContact OE2-NZ 2.87Å
456R96.1Very high94.4Very high181 Ų18173.2 Ų73.268%0.68337%0.365SS*.  trans57.234.2178-63.3176.7178.6-174.7-1.4115.1Y451 H452 K453 E454Y451-R456 WeakPolarHBondContact OH-CA 3.35Å; Y451-R456 WeakPolarHBondContact OH-CB 3.49Å; H452-R456 VanDerWaalsContact O-CA 3.25Å; H452-R456 WeakPolarHBondContact O-CA 3.39Å; H452-R456 PolarHBondContact O-N 3.16Å; K453-R456 WeakPolarHBondContact O-CG 3.21Å; E454-R456 PolarHBondContact O-N 3.01Å
457V97.1Very high94.1Very high21 Ų2171 Ų7113%0.12736%0.355CS..  trans-125152.3179.1-67.50000112H452 E455 I459 F481H452-V457 PolarHBondContact N-O 3.44Å; E455-V457 VanDerWaalsContact C-N 3.3Å; E455-V457 HydrophobicContact CB-CG2 3.91Å; E455-V457 PolarHBondContact O-N 3.15Å; V457-I459 HydrophobicContact CG2-CD1 4.11Å; V457-I459 HydrophobicContact CG2-CG1 3.92Å; V457-F481 HydrophobicContact CB-CD2 4.29Å; V457-F481 HydrophobicContact CG1-CD2 4.16Å; V457-F481 HydrophobicContact CG2-CB 4.3Å; V457-F481 HydrophobicContact CG2-CD2 4.4Å
458W98Very high93.7Very high4 Ų472.1 Ų72.12%0.01537%0.37CS..EExtended strand (participates in β ladder)trans-80.7131.6166.5-73.7100.1000110.3F425 Y428 A441 L444 W449 Y451 F481 F482F425-W458 HydrophobicContact CD1-CG 4.47Å; F425-W458 HydrophobicContact CE1-CB 3.7Å; F425-W458 AromaticContact CE1-CD1 3.93Å; F425-W458 AromaticContact CE1-CG 3.83Å; F425-W458 HydrophobicContact CE1-CG 3.83Å; F425-W458 HydrophobicContact CZ-CB 4.42Å; Y428-W458 AromaticContact CD1-CD1 3.91Å; Y428-W458 AromaticContact CD1-NE1 3.21Å; Y428-W458 AromaticContact CD2-CZ2 3.83Å; Y428-W458 HydrophobicContact CD2-CZ2 3.83Å; Y428-W458 AromaticContact CD2-NE1 3.66Å; Y428-W458 AromaticContact CE1-CD1 3.88Å; Y428-W458 AromaticContact CE1-NE1 3.14Å; Y428-W458 AromaticContact CE2-CE2 3.9Å; Y428-W458 AromaticContact CE2-CZ2 3.59Å; Y428-W458 HydrophobicContact CE2-CZ2 3.59Å; Y428-W458 AromaticContact CE2-NE1 3.61Å; Y428-W458 HydrophobicContact CG-CZ2 4.48Å; Y428-W458 AromaticContact CG-NE1 3.48Å; Y428-W458 AromaticContact CZ-CE2 3.96Å; Y428-W458 AromaticContact CZ-NE1 3.35Å; Y428-W458 VanDerWaalsContact CZ-NE1 3.35Å; A441-W458 HydrophobicContact CB-CH2 3.81Å; A441-W458 HydrophobicContact CB-CZ2 3.62Å; A441-W458 WeakPolarHBondContact O-CH2 3.4Å; L444-W458 HydrophobicContact CB-CD2 4.48Å; L444-W458 HydrophobicContact CB-CE3 4.22Å; L444-W458 HydrophobicContact CB-CH2 3.99Å; L444-W458 HydrophobicContact CB-CZ2 4.29Å; L444-W458 HydrophobicContact CB-CZ3 3.96Å; L444-W458 HydrophobicContact CD1-CD2 4Å; L444-W458 HydrophobicContact CD1-CG 4.36Å; L444-W458 HydrophobicContact CD1-CH2 4.46Å; L444-W458 HydrophobicContact CD1-CZ2 3.92Å; W449-W458 HydrophobicContact CB-CE3 3.67Å; W449-W458 HydrophobicContact CB-CZ3 4.13Å; W449-W458 HydrophobicContact CE3-CB 3.8Å; W449-W458 HydrophobicContact CZ3-CB 4.32Å; W449-W458 WeakPolarHBondContact CZ3-O 3.44Å; Y451-W458 AromaticContact CD2-CD1 3.88Å; Y451-W458 AromaticContact CD2-CD2 3.99Å; Y451-W458 HydrophobicContact CD2-CD2 3.99Å; Y451-W458 AromaticContact CD2-CE2 3.87Å; Y451-W458 HydrophobicContact CD2-CG 4.03Å; Y451-W458 HydrophobicContact CD2-CZ2 4.48Å; Y451-W458 AromaticContact CD2-NE1 3.77Å; W458-F481 CarbonylContact O-C 3.4Å; W458-F481 WeakPolarHBondContact O-CA 3.43Å; W458-F481 WeakPolarHBondContact O-CB 3.46Å; W458-F482 PolarHBondContact O-N 2.94Å
459I97.4Very high93.6Very high4 Ų470.4 Ų70.42%0.02136%0.361CS..EExtended strand (participates in β ladder)trans-127.1140.6-177.1-51.4-179.3000109.3W449 R450 H452 V457 Y479 Y480 F481 F494 L496W449-I459 CarbonylContact C-O 3.55Å; W449-I459 WeakPolarHBondContact CA-O 3.43Å; R450-I459 PolarHBondContact N-O 2.96Å; R450-I459 PolarHBondContact O-N 3.5Å; H452-I459 HydrophobicContact CB-CD1 3.89Å; V457-I459 HydrophobicContact CG2-CD1 4.11Å; V457-I459 HydrophobicContact CG2-CG1 3.92Å; I459-Y479 HydrophobicContact CG2-CD1 4.16Å; I459-Y479 HydrophobicContact CG2-CG 3.97Å; I459-Y480 CarbonylContact C-O 3.56Å; I459-Y480 WeakPolarHBondContact CA-O 3.48Å; I459-F481 HydrophobicContact CG1-CB 4.1Å; I459-F494 HydrophobicContact CD1-CD1 3.92Å; I459-F494 HydrophobicContact CD1-CE1 3.7Å; I459-F494 HydrophobicContact CD1-CE2 4.36Å; I459-F494 HydrophobicContact CD1-CG 4.35Å; I459-F494 HydrophobicContact CD1-CZ 3.92Å; I459-F494 HydrophobicContact CG1-CZ 4.39Å; I459-F494 HydrophobicContact CG2-CD2 4.49Å; I459-F494 HydrophobicContact CG2-CE2 4.47Å; I459-L496 HydrophobicContact CD1-CD2 3.72Å; I459-L496 HydrophobicContact CG2-CD1 4.28Å
460T96.4Very high93.3Very high25 Ų2576.4 Ų76.415%0.15339%0.387CS..EExtended strand (participates in β ladder)trans-140.2157.1170.5-167.80000111D448 W449 Y479 Y480D448-T460 WeakPolarHBondContact O-CB 3.35Å; D448-T460 PolarHBondContact O-OG1 3.23Å; W449-T460 HydrophobicContact CD2-CG2 3.85Å; W449-T460 HydrophobicContact CE3-CG2 3.85Å; W449-T460 HydrophobicContact CH2-CG2 3.65Å; W449-T460 HydrophobicContact CZ2-CG2 3.6Å; W449-T460 HydrophobicContact CZ3-CG2 3.76Å; T460-Y479 WeakPolarHBondContact O-CA 3.16Å; T460-Y479 WeakPolarHBondContact O-CB 3.15Å; T460-Y480 PolarHBondContact N-O 2.87Å; T460-Y480 PolarHBondContact O-N 3.23Å
461R93.1Very high93.2Very high114 Ų11475.3 Ų75.343%0.4339%0.388SS..EExtended strand (participates in β ladder)trans-67.2139.1178.1-74.3-179.6-174.9157.76.5110.5E475 Y479R461-E475 IonicContact CZ-OE1 2.76Å; R461-E475 VanDerWaalsContact CZ-OE1 3.29Å; R461-E475 IonicContact CZ-OE2 3.81Å; R461-E475 IonicContact NE-OE1 3.43Å; R461-E475 PolarHBondContact NE-OE1 3.1Å; R461-E475 IonicContact NE-OE2 2.77Å; R461-E475 IonicContact NH2-OE1 3.52Å; R461-E475 PolarHBondContact NH2-OE1 3.36Å; R461-E475 IonicContact NH2-OE2 3.57Å; R461-E475 PolarHBondContact NH2-OE2 2.78Å; R461-Y479 HydrophobicContact CB-CD1 4.44Å; R461-Y479 HydrophobicContact CG-CD1 3.79Å; R461-Y479 HydrophobicContact CG-CE1 3.56Å
462A90Very high93Very high6 Ų681.4 Ų81.45%0.0542%0.424CS..PPolyproline II helixtrans-67.5130.517200000109.7G464 M465 Y480A462-G464 PolarHBondContact O-N 2.97Å; A462-M465 HydrophobicContact CB-CB 3.9Å; A462-M465 HydrophobicContact CB-CG 3.83Å; A462-M465 WeakPolarHBondContact O-CB 3.45Å; A462-M465 PolarHBondContact O-N 3.34Å; A462-Y480 HydrophobicContact CB-CD2 3.81Å; A462-Y480 HydrophobicContact CB-CE2 3.59Å
463P89.1Confident92.9Very high119 Ų11983.9 Ų83.977%0.77345%0.446SS*.THydrogen-bonded Turntrans-57.1127.6-178.7-2735.8000111.7M465P463-M465 VanDerWaalsContact C-N 3.27Å; P463-M465 PolarHBondContact O-N 2.88Å
464G85.4Confident92.8Very high88 Ų8883.8 Ų83.891%0.90745%0.445SS*.THydrogen-bonded Turntrans77.31.6-177.800000115.8A462A462-G464 PolarHBondContact O-N 2.97Å
465M88.3Confident92.8Very high100 Ų10078.4 Ų78.449%0.49342%0.42SS..  trans-104.2110.2175.4-64.3-68-67.400110.3A462 P463A462-M465 HydrophobicContact CB-CB 3.9Å; A462-M465 HydrophobicContact CB-CG 3.83Å; A462-M465 WeakPolarHBondContact O-CB 3.45Å; A462-M465 PolarHBondContact O-N 3.34Å; P463-M465 VanDerWaalsContact C-N 3.27Å; P463-M465 PolarHBondContact O-N 2.88Å
466E88.3Confident92.8Very high177 Ų17778.8 Ų78.883%0.82742%0.416SS*.  trans-78.6150.3171.6-61.4-163.1142.800111.3T468E466-T468 PolarHBondContact O-N 3.24Å
467P89.1Confident92.7Very high31 Ų3170.2 Ų70.220%0.20138%0.384CS..  trans-59.1131.1172.9-22.633.7000111.5L469 E475 R476P467-L469 PolarHBondContact O-N 3.48Å; P467-E475 HydrophobicContact CB-CB 4.15Å; P467-E475 HydrophobicContact CG-CB 4.47Å; P467-R476 CarbonylContact C-O 3.47Å; P467-R476 WeakPolarHBondContact CA-O 3.31Å; P467-R476 WeakPolarHBondContact CB-O 3.18Å
468T89.8Confident92.6Very high100 Ų10071.8 Ų71.861%0.61339%0.394SS*.SBendtrans-63.3-27178.958.80000112.7E466 R476E466-T468 PolarHBondContact O-N 3.24Å; T468-R476 PolarHBondContact N-O 3.32Å; T468-R476 PolarHBondContact OG1-O 3.06Å; T468-R476 VanDerWaalsContact OG1-O 3.08Å
469L91.9Very high92.5Very high69 Ų6971.9 Ų71.936%0.36139%0.394SS..EExtended strand (participates in β ladder)trans-146.2131.3172.6-173.2126000109.3P467 T471 Y474 E475 R476P467-L469 PolarHBondContact O-N 3.48Å; L469-T471 HydrophobicContact CD2-CG2 3.71Å; L469-Y474 HydrophobicContact CD2-CD2 4.28Å; L469-Y474 HydrophobicContact CD2-CE2 3.28Å; L469-Y474 WeakPolarHBondContact CD2-OH 3.46Å; L469-E475 CarbonylContact O-C 3.57Å; L469-E475 VanDerWaalsContact O-CA 3.31Å; L469-E475 WeakPolarHBondContact O-CA 3.5Å; L469-R476 PolarHBondContact N-O 2.78Å; L469-R476 PolarHBondContact O-N 3.22Å
470K92.8Very high92.5Very high134 Ų13475.7 Ų75.758%0.58341%0.409SS*.EExtended strand (participates in β ladder)trans-130125.6177.4-170.6178.1-174.6-173.20109.8E475 Y498K470-E475 HydrophobicContact CB-CB 4.48Å; K470-E475 HydrophobicContact CG-CB 4.22Å; K470-Y498 WeakPolarHBondContact CE-OH 3.42Å
471T93.9Very high92.5Very high46 Ų4676 Ų7628%0.28241%0.409SS..  trans-121.1-178.2174.673.60000109.9L469 A473 Y474 Y498L469-T471 HydrophobicContact CD2-CG2 3.71Å; T471-A473 VanDerWaalsContact C-N 3.31Å; T471-A473 PolarHBondContact OG1-N 3.07Å; T471-Y474 HydrophobicContact CG2-CD1 4.34Å; T471-Y474 HydrophobicContact CG2-CE1 3.84Å; T471-Y474 HydrophobicContact CG2-CE2 4.29Å; T471-Y474 PolarHBondContact N-O 3.19Å; T471-Y474 VanDerWaalsContact OG1-CD1 3.27Å; T471-Y474 WeakPolarHBondContact OG1-CD1 3.37Å; T471-Y474 PolarHBondContact OG1-N 2.91Å; T471-Y474 PolarHBondContact OG1-O 3.1Å; T471-Y498 WeakPolarHBondContact O-CE2 3.28Å; T471-Y498 PolarHBondContact O-OH 2.98Å
472N92.9Very high92.8Very high171 Ų17171 Ų7191%0.91439%0.39SS*.SBendtrans-74.3-18.8173.5-64.4-14.7000113.3Y498N472-Y498 WeakPolarHBondContact O-CD2 3.42Å
473A94.6Very high93.1Very high65 Ų6571.7 Ų71.754%0.53739%0.393SS..SBendtrans-107.5-31.3-176.100000113.4T471 Y498T471-A473 VanDerWaalsContact C-N 3.31Å; T471-A473 PolarHBondContact OG1-N 3.07Å; A473-Y498 WeakPolarHBondContact O-CD2 3.49Å; A473-Y498 PolarHBondContact O-N 3.48Å
474Y94.7Very high93.4Very high77 Ų7768.4 Ų68.430%0.30237%0.372SS..EExtended strand (participates in β ladder)trans-151.2160.6-177.871.8-90.7000112.6L469 T471 H495 L496L469-Y474 HydrophobicContact CD2-CD2 4.28Å; L469-Y474 HydrophobicContact CD2-CE2 3.28Å; L469-Y474 WeakPolarHBondContact CD2-OH 3.46Å; T471-Y474 HydrophobicContact CG2-CD1 4.34Å; T471-Y474 HydrophobicContact CG2-CE1 3.84Å; T471-Y474 HydrophobicContact CG2-CE2 4.29Å; T471-Y474 PolarHBondContact N-O 3.19Å; T471-Y474 VanDerWaalsContact OG1-CD1 3.27Å; T471-Y474 WeakPolarHBondContact OG1-CD1 3.37Å; T471-Y474 PolarHBondContact OG1-N 2.91Å; T471-Y474 PolarHBondContact OG1-O 3.1Å; Y474-H495 AromaticContact CD2-CE1 3.17Å; Y474-H495 WeakPolarHBondContact CD2-CE1 3.37Å; Y474-H495 AromaticContact CD2-ND1 3.57Å; Y474-H495 AromaticContact CD2-NE2 3.99Å; Y474-H495 AromaticContact CE2-CE1 3.39Å; Y474-H495 WeakPolarHBondContact CE2-CE1 3.48Å; Y474-H495 AromaticContact CE2-ND1 3.79Å; Y474-H495 AromaticContact CG-CE1 3.58Å; Y474-H495 AromaticContact CZ-CE1 3.98Å; Y474-L496 CarbonylContact C-O 3.51Å; Y474-L496 WeakPolarHBondContact CA-O 3.39Å; Y474-L496 WeakPolarHBondContact CB-O 3.04Å
475E95Very high93.9Very high9 Ų971.8 Ų71.84%0.04237%0.368CS..EExtended strand (participates in β ladder)trans-127.1149.2165.656.1179.6-149.700112.1R461 P467 L469 K470 Y479 L496 Y498R461-E475 IonicContact CZ-OE1 2.76Å; R461-E475 VanDerWaalsContact CZ-OE1 3.29Å; R461-E475 IonicContact CZ-OE2 3.81Å; R461-E475 IonicContact NE-OE1 3.43Å; R461-E475 PolarHBondContact NE-OE1 3.1Å; R461-E475 IonicContact NE-OE2 2.77Å; R461-E475 IonicContact NH2-OE1 3.52Å; R461-E475 PolarHBondContact NH2-OE1 3.36Å; R461-E475 IonicContact NH2-OE2 3.57Å; R461-E475 PolarHBondContact NH2-OE2 2.78Å; P467-E475 HydrophobicContact CB-CB 4.15Å; P467-E475 HydrophobicContact CG-CB 4.47Å; L469-E475 CarbonylContact O-C 3.57Å; L469-E475 VanDerWaalsContact O-CA 3.31Å; L469-E475 WeakPolarHBondContact O-CA 3.5Å; K470-E475 HydrophobicContact CB-CB 4.48Å; K470-E475 HydrophobicContact CG-CB 4.22Å; E475-Y479 VanDerWaalsContact CG-OH 3.23Å; E475-Y479 WeakPolarHBondContact CG-OH 3.46Å; E475-Y479 PolarHBondContact OE1-OH 3.26Å; E475-L496 HydrophobicContact CG-CB 4.31Å; E475-L496 PolarHBondContact N-O 3.38Å; E475-L496 PolarHBondContact O-N 3.2Å; E475-Y498 HydrophobicContact CB-CE1 4.41Å; E475-Y498 HydrophobicContact CG-CE1 3.76Å
476R94.8Very high94.4Very high114 Ų11471.6 Ų71.643%0.4337%0.369SS..EExtended strand (participates in β ladder)trans-126.1139.2175.2-170.3177.966.3176.82.8110P467 T468 L469 E493 F494P467-R476 CarbonylContact C-O 3.47Å; P467-R476 WeakPolarHBondContact CA-O 3.31Å; P467-R476 WeakPolarHBondContact CB-O 3.18Å; T468-R476 PolarHBondContact N-O 3.32Å; T468-R476 PolarHBondContact OG1-O 3.06Å; T468-R476 VanDerWaalsContact OG1-O 3.08Å; L469-R476 PolarHBondContact N-O 2.78Å; L469-R476 PolarHBondContact O-N 3.22Å; R476-E493 WeakPolarHBondContact CD-OE1 3.48Å; R476-E493 HydrophobicContact CG-CG 4.48Å; R476-E493 IonicContact NE-OE1 3.82Å; R476-F494 WeakPolarHBondContact CA-O 3.42Å; R476-F494 WeakPolarHBondContact CG-O 3.42Å
477G94Very high94.8Very high1 Ų168 Ų681%0.0135%0.348CS..EExtended strand (participates in β ladder)trans170-172-177.500000112.5Y479 E493 F494G477-Y479 VanDerWaalsContact C-CE2 3.45Å; G477-Y479 WeakPolarHBondContact O-CD2 3.44Å; G477-Y479 WeakPolarHBondContact O-CE2 3.27Å; G477-E493 WeakPolarHBondContact O-CA 3.5Å; G477-F494 PolarHBondContact N-O 3.1Å; G477-F494 PolarHBondContact O-N 3.27Å
478T94.9Very high95.2Very high54 Ų5473 Ų7333%0.33136%0.363SS..EExtended strand (participates in β ladder)trans-92.8124.2176.6-55.80000110.5A491T478-A491 HydrophobicContact CG2-CB 4.34Å
479Y96.1Very high95.5Very high5 Ų572.8 Ų72.82%0.0235%0.354CS..EExtended strand (participates in β ladder)trans-125.7157.5-179.7-57.5-97.6000110.1I459 T460 R461 E475 G477 A491 K492 F494 L496I459-Y479 HydrophobicContact CG2-CD1 4.16Å; I459-Y479 HydrophobicContact CG2-CG 3.97Å; T460-Y479 WeakPolarHBondContact O-CA 3.16Å; T460-Y479 WeakPolarHBondContact O-CB 3.15Å; R461-Y479 HydrophobicContact CB-CD1 4.44Å; R461-Y479 HydrophobicContact CG-CD1 3.79Å; R461-Y479 HydrophobicContact CG-CE1 3.56Å; E475-Y479 VanDerWaalsContact CG-OH 3.23Å; E475-Y479 WeakPolarHBondContact CG-OH 3.46Å; E475-Y479 PolarHBondContact OE1-OH 3.26Å; G477-Y479 VanDerWaalsContact C-CE2 3.45Å; G477-Y479 WeakPolarHBondContact O-CD2 3.44Å; G477-Y479 WeakPolarHBondContact O-CE2 3.27Å; Y479-A491 WeakPolarHBondContact O-CA 3.47Å; Y479-K492 PolarHBondContact N-O 3.12Å; Y479-K492 PolarHBondContact O-N 3.06Å; Y479-F494 HydrophobicContact CD2-CB 3.81Å; Y479-F494 HydrophobicContact CD2-CD2 4.17Å; Y479-F494 HydrophobicContact CD2-CG 4.47Å; Y479-F494 HydrophobicContact CE2-CB 4.23Å; Y479-F494 HydrophobicContact CG-CD2 4.48Å; Y479-L496 HydrophobicContact CD1-CD1 3.76Å; Y479-L496 HydrophobicContact CD2-CD1 4Å; Y479-L496 HydrophobicContact CD2-CG 4.49Å; Y479-L496 HydrophobicContact CE1-CD1 3.48Å; Y479-L496 VanDerWaalsContact CE1-CD1 3.48Å; Y479-L496 HydrophobicContact CE2-CD1 3.73Å; Y479-L496 HydrophobicContact CE2-CG 4.14Å; Y479-L496 HydrophobicContact CG-CD1 4.04Å
480Y96.8Very high95.7Very high85 Ų8571.3 Ų71.333%0.33335%0.347SS..EExtended strand (participates in β ladder)trans-88131.1162.2-73.4-68.9000109.1I459 T460 A462 K489 V490 A491I459-Y480 CarbonylContact C-O 3.56Å; I459-Y480 WeakPolarHBondContact CA-O 3.48Å; T460-Y480 PolarHBondContact N-O 2.87Å; T460-Y480 PolarHBondContact O-N 3.23Å; A462-Y480 HydrophobicContact CB-CD2 3.81Å; A462-Y480 HydrophobicContact CB-CE2 3.59Å; Y480-K489 HydrophobicContact CD1-CB 4.31Å; Y480-V490 WeakPolarHBondContact CA-O 3.41Å; Y480-A491 HydrophobicContact CD1-CB 4.09Å; Y480-A491 HydrophobicContact CE1-CB 3.77Å
481F97.2Very high95.9Very high32 Ų3267.6 Ų67.614%0.1434%0.342CS..EExtended strand (participates in β ladder)trans-112.2154.4161.578-82.4000110.4V457 W458 I459 D483 K489 V490 K492 F494V457-F481 HydrophobicContact CB-CD2 4.29Å; V457-F481 HydrophobicContact CG1-CD2 4.16Å; V457-F481 HydrophobicContact CG2-CB 4.3Å; V457-F481 HydrophobicContact CG2-CD2 4.4Å; W458-F481 CarbonylContact O-C 3.4Å; W458-F481 WeakPolarHBondContact O-CA 3.43Å; W458-F481 WeakPolarHBondContact O-CB 3.46Å; I459-F481 HydrophobicContact CG1-CB 4.1Å; F481-D483 HydrophobicContact CE2-CB 3.85Å; F481-D483 HydrophobicContact CZ-CB 4.43Å; F481-K489 WeakPolarHBondContact O-CA 3.36Å; F481-V490 HydrophobicContact CD1-CB 4.05Å; F481-V490 HydrophobicContact CD1-CG1 4.47Å; F481-V490 WeakPolarHBondContact CD1-O 3.39Å; F481-V490 HydrophobicContact CE1-CB 3.53Å; F481-V490 HydrophobicContact CE1-CG1 3.64Å; F481-V490 HydrophobicContact CE1-CG2 4.48Å; F481-V490 HydrophobicContact CZ-CB 3.81Å; F481-V490 HydrophobicContact CZ-CG1 4.04Å; F481-V490 HydrophobicContact CZ-CG2 4.29Å; F481-V490 PolarHBondContact N-O 3Å; F481-V490 PolarHBondContact O-N 3.33Å; F481-K492 HydrophobicContact CD1-CB 3.98Å; F481-K492 HydrophobicContact CD1-CD 4.32Å; F481-K492 HydrophobicContact CE1-CB 3.86Å; F481-K492 HydrophobicContact CE1-CD 3.89Å; F481-K492 HydrophobicContact CE1-CG 4.49Å; F481-F494 HydrophobicContact CB-CE2 4Å; F481-F494 HydrophobicContact CB-CZ 3.81Å; F481-F494 AromaticContact CD1-CE2 3.74Å; F481-F494 HydrophobicContact CD1-CE2 3.74Å; F481-F494 AromaticContact CD1-CZ 3.67Å; F481-F494 HydrophobicContact CD1-CZ 3.67Å; F481-F494 HydrophobicContact CE1-CZ 4.44Å; F481-F494 HydrophobicContact CG-CE2 4.2Å; F481-F494 AromaticContact CG-CZ 3.86Å; F481-F494 HydrophobicContact CG-CZ 3.86Å
482F98.2Very high95.9Very high7 Ų769.7 Ų69.73%0.03135%0.347CS..EExtended strand (participates in β ladder)trans-90.1114.7172.6-171.1-96.8000110.2F425 Y429 W449 W458 C484 W487 K489F425-F482 HydrophobicContact CB-CD1 4.1Å; F425-F482 HydrophobicContact CB-CE1 3.7Å; F425-F482 HydrophobicContact CB-CE2 4.32Å; F425-F482 HydrophobicContact CB-CZ 3.83Å; F425-F482 HydrophobicContact CD1-CB 4.21Å; F425-F482 AromaticContact CD1-CD1 3.92Å; F425-F482 HydrophobicContact CD1-CD1 3.92Å; F425-F482 HydrophobicContact CD1-CD2 4.47Å; F425-F482 HydrophobicContact CD1-CE1 4.4Å; F425-F482 AromaticContact CD1-CG 3.94Å; F425-F482 HydrophobicContact CD1-CG 3.94Å; F425-F482 HydrophobicContact CD2-CB 4.44Å; F425-F482 HydrophobicContact CD2-CD1 4.14Å; F425-F482 AromaticContact CD2-CD2 3.41Å; F425-F482 HydrophobicContact CD2-CD2 3.41Å; F425-F482 VanDerWaalsContact CD2-CD2 3.41Å; F425-F482 HydrophobicContact CD2-CE1 4.23Å; F425-F482 AromaticContact CD2-CE2 3.53Å; F425-F482 HydrophobicContact CD2-CE2 3.53Å; F425-F482 AromaticContact CD2-CG 3.73Å; F425-F482 HydrophobicContact CD2-CG 3.73Å; F425-F482 AromaticContact CD2-CZ 3.93Å; F425-F482 HydrophobicContact CD2-CZ 3.93Å; F425-F482 HydrophobicContact CE1-CB 3.83Å; F425-F482 HydrophobicContact CE1-CD1 4.4Å; F425-F482 HydrophobicContact CE1-CG 4.01Å; F425-F482 HydrophobicContact CE2-CB 4.07Å; F425-F482 AromaticContact CE2-CD2 3.49Å; F425-F482 HydrophobicContact CE2-CD2 3.49Å; F425-F482 VanDerWaalsContact CE2-CD2 3.49Å; F425-F482 HydrophobicContact CE2-CE2 4.06Å; F425-F482 AromaticContact CE2-CG 3.8Å; F425-F482 HydrophobicContact CE2-CG 3.8Å; F425-F482 AromaticContact CG-CD1 3.79Å; F425-F482 HydrophobicContact CG-CD1 3.79Å; F425-F482 AromaticContact CG-CD2 3.95Å; F425-F482 HydrophobicContact CG-CD2 3.95Å; F425-F482 AromaticContact CG-CE1 3.87Å; F425-F482 HydrophobicContact CG-CE1 3.87Å; F425-F482 HydrophobicContact CG-CE2 4.04Å; F425-F482 AromaticContact CG-CG 3.81Å; F425-F482 HydrophobicContact CG-CG 3.81Å; F425-F482 AromaticContact CG-CZ 3.99Å; F425-F482 HydrophobicContact CG-CZ 3.99Å; F425-F482 HydrophobicContact CZ-CB 3.74Å; F425-F482 HydrophobicContact CZ-CD2 4.08Å; F425-F482 AromaticContact CZ-CG 3.94Å; F425-F482 HydrophobicContact CZ-CG 3.94Å; Y429-F482 HydrophobicContact CD2-CE1 4.41Å; Y429-F482 AromaticContact CE2-CD1 3.82Å; Y429-F482 HydrophobicContact CE2-CD1 3.82Å; Y429-F482 HydrophobicContact CE2-CE1 4.12Å; W449-F482 HydrophobicContact CH2-CB 4.47Å; W449-F482 HydrophobicContact CZ3-CB 4.31Å; W458-F482 PolarHBondContact O-N 2.94Å; F482-C484 HydrophobicContact CD1-CB 4.32Å; F482-C484 HydrophobicContact CE1-CB 4.19Å; F482-C484 PolarHBondContact O-N 3.44Å; F482-W487 HydrophobicContact CE1-CD2 4.36Å; F482-W487 AromaticContact CE1-CE3 3.99Å; F482-W487 HydrophobicContact CE1-CE3 3.99Å; F482-W487 HydrophobicContact CE1-CH2 4.1Å; F482-W487 HydrophobicContact CE1-CZ2 4.48Å; F482-W487 AromaticContact CE1-CZ3 3.86Å; F482-W487 HydrophobicContact CE1-CZ3 3.86Å; F482-W487 AromaticContact CZ-CD2 3.77Å; F482-W487 HydrophobicContact CZ-CD2 3.77Å; F482-W487 AromaticContact CZ-CE2 3.78Å; F482-W487 AromaticContact CZ-CE3 3.88Å; F482-W487 HydrophobicContact CZ-CE3 3.88Å; F482-W487 HydrophobicContact CZ-CG 4.3Å; F482-W487 AromaticContact CZ-CH2 3.97Å; F482-W487 HydrophobicContact CZ-CH2 3.97Å; F482-W487 AromaticContact CZ-CZ2 3.9Å; F482-W487 HydrophobicContact CZ-CZ2 3.9Å; F482-W487 AromaticContact CZ-CZ3 3.98Å; F482-W487 HydrophobicContact CZ-CZ3 3.98Å; F482-K489 HydrophobicContact CD2-CG 4.09Å
483D97.3Very high96Very high21 Ų2167 Ų6711%0.11233%0.329CS..EExtended strand (participates in β ladder)trans-86101.4173.8177.9-11.1000108.4F481 L485 N486 W487 R488 V490F481-D483 HydrophobicContact CE2-CB 3.85Å; F481-D483 HydrophobicContact CZ-CB 4.43Å; D483-L485 VanDerWaalsContact C-N 3.29Å; D483-L485 PolarHBondContact O-N 3.32Å; D483-L485 PolarHBondContact OD1-N 3.01Å; D483-L485 VanDerWaalsContact OD1-N 3.08Å; D483-N486 PolarHBondContact OD1-N 3.14Å; D483-N486 PolarHBondContact OD1-ND2 3.4Å; D483-N486 WeakPolarHBondContact OD2-CB 3.45Å; D483-N486 PolarHBondContact OD2-ND2 3.33Å; D483-W487 VanDerWaalsContact O-CA 3.27Å; D483-W487 WeakPolarHBondContact O-CA 3.09Å; D483-W487 PolarHBondContact O-N 2.73Å; D483-R488 HydrophobicContact CB-CG 4.26Å; D483-R488 WeakPolarHBondContact CB-O 3.48Å; D483-R488 PolarHBondContact N-O 3.13Å; D483-R488 PolarHBondContact O-N 2.79Å; D483-R488 IonicContact OD2-NE 3.97Å; D483-R488 IonicContact OD2-NH2 3.06Å; D483-V490 HydrophobicContact CB-CG2 3.86Å
484C96.3Very high96Very high50 Ų5064.5 Ų64.534%0.33831%0.306SS..THydrogen-bonded Turntrans-73-18.6-179.2600000113.7Y429 F482Y429-C484 HydrophobicContact CD1-CB 4.32Å; Y429-C484 HydrophobicContact CD2-CB 4.06Å; Y429-C484 HydrophobicContact CE1-CB 4.12Å; Y429-C484 HydrophobicContact CE2-CB 3.87Å; Y429-C484 HydrophobicContact CG-CB 4.31Å; F482-C484 HydrophobicContact CD1-CB 4.32Å; F482-C484 HydrophobicContact CE1-CB 4.19Å; F482-C484 PolarHBondContact O-N 3.44Å
485L96Very high96.1Very high159 Ų15965.2 Ų65.283%0.83231%0.312SS*.THydrogen-bonded Turntrans-79.2-39.4178.1-60.5177.2000111.4D483D483-L485 VanDerWaalsContact C-N 3.29Å; D483-L485 PolarHBondContact O-N 3.32Å; D483-L485 PolarHBondContact OD1-N 3.01Å; D483-L485 VanDerWaalsContact OD1-N 3.08Å
486N97Very high96Very high96 Ų9665 Ų6551%0.51331%0.311SS..THydrogen-bonded Turntrans-100.17.2176.4-61.9-73.7000113.6D483 R488D483-N486 PolarHBondContact OD1-N 3.14Å; D483-N486 PolarHBondContact OD1-ND2 3.4Å; D483-N486 WeakPolarHBondContact OD2-CB 3.45Å; D483-N486 PolarHBondContact OD2-ND2 3.33Å; N486-R488 HydrophobicContact CB-CG 3.99Å; N486-R488 PolarHBondContact O-N 2.86Å
487W97.3Very high96.1Very high103 Ų10363.3 Ų63.339%0.3931%0.308SS..THydrogen-bonded Turntrans45.754.1-179-157.1-96.6000114.7D422 F425 F482 D483D422-W487 PolarHBondContact OD1-NE1 2.88Å; F425-W487 HydrophobicContact CB-CH2 4.07Å; F425-W487 HydrophobicContact CB-CZ2 4.36Å; F482-W487 HydrophobicContact CE1-CD2 4.36Å; F482-W487 AromaticContact CE1-CE3 3.99Å; F482-W487 HydrophobicContact CE1-CE3 3.99Å; F482-W487 HydrophobicContact CE1-CH2 4.1Å; F482-W487 HydrophobicContact CE1-CZ2 4.48Å; F482-W487 AromaticContact CE1-CZ3 3.86Å; F482-W487 HydrophobicContact CE1-CZ3 3.86Å; F482-W487 AromaticContact CZ-CD2 3.77Å; F482-W487 HydrophobicContact CZ-CD2 3.77Å; F482-W487 AromaticContact CZ-CE2 3.78Å; F482-W487 AromaticContact CZ-CE3 3.88Å; F482-W487 HydrophobicContact CZ-CE3 3.88Å; F482-W487 HydrophobicContact CZ-CG 4.3Å; F482-W487 AromaticContact CZ-CH2 3.97Å; F482-W487 HydrophobicContact CZ-CH2 3.97Å; F482-W487 AromaticContact CZ-CZ2 3.9Å; F482-W487 HydrophobicContact CZ-CZ2 3.9Å; F482-W487 AromaticContact CZ-CZ3 3.98Å; F482-W487 HydrophobicContact CZ-CZ3 3.98Å; D483-W487 VanDerWaalsContact O-CA 3.27Å; D483-W487 WeakPolarHBondContact O-CA 3.09Å; D483-W487 PolarHBondContact O-N 2.73Å
488R96.9Very high96.1Very high134 Ų13466.9 Ų66.951%0.50632%0.322SS..EExtended strand (participates in β ladder)trans-153.9157.1-174.364-178.4-179.2-168.7-4.6114D483 N486 V490D483-R488 HydrophobicContact CB-CG 4.26Å; D483-R488 WeakPolarHBondContact CB-O 3.48Å; D483-R488 PolarHBondContact N-O 3.13Å; D483-R488 PolarHBondContact O-N 2.79Å; D483-R488 IonicContact OD2-NE 3.97Å; D483-R488 IonicContact OD2-NH2 3.06Å; N486-R488 HydrophobicContact CB-CG 3.99Å; N486-R488 PolarHBondContact O-N 2.86Å; R488-V490 HydrophobicContact CG-CG2 3.82Å
489K96.8Very high96.1Very high97 Ų9770.1 Ų70.142%0.42234%0.337SS..EExtended strand (participates in β ladder)trans-81.5129.9166.8-65.3-170.1-73.1-173.30110.1E421 W449 Y480 F481 F482E421-K489 IonicContact OE1-NZ 2.67Å; E421-K489 PolarHBondContact OE1-NZ 3.03Å; E421-K489 IonicContact OE2-NZ 2.75Å; E421-K489 PolarHBondContact OE2-NZ 3.35Å; W449-K489 HydrophobicContact CH2-CD 3.63Å; W449-K489 HydrophobicContact CH2-CG 4.06Å; W449-K489 HydrophobicContact CZ2-CD 3.67Å; Y480-K489 HydrophobicContact CD1-CB 4.31Å; F481-K489 WeakPolarHBondContact O-CA 3.36Å; F482-K489 HydrophobicContact CD2-CG 4.09Å
490V97Very high96.1Very high37 Ų3772.4 Ų72.422%0.22435%0.347CS..EExtended strand (participates in β ladder)trans-123.7128.9-178.3-178.30000109.2Y480 F481 D483 R488Y480-V490 WeakPolarHBondContact CA-O 3.41Å; F481-V490 HydrophobicContact CD1-CB 4.05Å; F481-V490 HydrophobicContact CD1-CG1 4.47Å; F481-V490 WeakPolarHBondContact CD1-O 3.39Å; F481-V490 HydrophobicContact CE1-CB 3.53Å; F481-V490 HydrophobicContact CE1-CG1 3.64Å; F481-V490 HydrophobicContact CE1-CG2 4.48Å; F481-V490 HydrophobicContact CZ-CB 3.81Å; F481-V490 HydrophobicContact CZ-CG1 4.04Å; F481-V490 HydrophobicContact CZ-CG2 4.29Å; F481-V490 PolarHBondContact N-O 3Å; F481-V490 PolarHBondContact O-N 3.33Å; D483-V490 HydrophobicContact CB-CG2 3.86Å; R488-V490 HydrophobicContact CG-CG2 3.82Å
491A96Very high96Very high57 Ų5769.3 Ų69.347%0.47134%0.336SS..EExtended strand (participates in β ladder)trans-78.1129.6171.500000110T478 Y479 Y480T478-A491 HydrophobicContact CG2-CB 4.34Å; Y479-A491 WeakPolarHBondContact O-CA 3.47Å; Y480-A491 HydrophobicContact CD1-CB 4.09Å; Y480-A491 HydrophobicContact CE1-CB 3.77Å
492K95.1Very high95.9Very high89 Ų8972 Ų7239%0.38735%0.349SS..EExtended strand (participates in β ladder)trans-148148.3178-175.9-172.6168.1-164.40109.3E455 Y479 F481 F494E455-K492 IonicContact OE2-NZ 2.71Å; E455-K492 PolarHBondContact OE2-NZ 2.87Å; Y479-K492 PolarHBondContact N-O 3.12Å; Y479-K492 PolarHBondContact O-N 3.06Å; F481-K492 HydrophobicContact CD1-CB 3.98Å; F481-K492 HydrophobicContact CD1-CD 4.32Å; F481-K492 HydrophobicContact CE1-CB 3.86Å; F481-K492 HydrophobicContact CE1-CD 3.89Å; F481-K492 HydrophobicContact CE1-CG 4.49Å; K492-F494 HydrophobicContact CB-CD2 4.19Å; K492-F494 HydrophobicContact CB-CE2 3.73Å; K492-F494 HydrophobicContact CB-CZ 4.37Å; K492-F494 HydrophobicContact CD-CE1 4.21Å; K492-F494 HydrophobicContact CD-CE2 3.97Å; K492-F494 HydrophobicContact CD-CZ 3.77Å; K492-F494 HydrophobicContact CG-CD2 4.45Å; K492-F494 HydrophobicContact CG-CE2 4.15Å; K492-F494 HydrophobicContact CG-CZ 4.45Å; K492-F494 WeakPolarHBondContact O-CD2 3.34Å
493E94.8Very high95.6Very high116 Ų11679.2 Ų79.254%0.54238%0.383SS..EExtended strand (participates in β ladder)trans-73.3129.4167.3-170.8-179.5177.500109.3R476 G477R476-E493 WeakPolarHBondContact CD-OE1 3.48Å; R476-E493 HydrophobicContact CG-CG 4.48Å; R476-E493 IonicContact NE-OE1 3.82Å; G477-E493 WeakPolarHBondContact O-CA 3.5Å
494F94.9Very high95.4Very high12 Ų1285.7 Ų85.75%0.05341%0.406CS..EExtended strand (participates in β ladder)trans-124.4146.4173.7-72.7-94.1000111.1I459 R476 G477 Y479 F481 K492 L496I459-F494 HydrophobicContact CD1-CD1 3.92Å; I459-F494 HydrophobicContact CD1-CE1 3.7Å; I459-F494 HydrophobicContact CD1-CE2 4.36Å; I459-F494 HydrophobicContact CD1-CG 4.35Å; I459-F494 HydrophobicContact CD1-CZ 3.92Å; I459-F494 HydrophobicContact CG1-CZ 4.39Å; I459-F494 HydrophobicContact CG2-CD2 4.49Å; I459-F494 HydrophobicContact CG2-CE2 4.47Å; R476-F494 WeakPolarHBondContact CA-O 3.42Å; R476-F494 WeakPolarHBondContact CG-O 3.42Å; G477-F494 PolarHBondContact N-O 3.1Å; G477-F494 PolarHBondContact O-N 3.27Å; Y479-F494 HydrophobicContact CD2-CB 3.81Å; Y479-F494 HydrophobicContact CD2-CD2 4.17Å; Y479-F494 HydrophobicContact CD2-CG 4.47Å; Y479-F494 HydrophobicContact CE2-CB 4.23Å; Y479-F494 HydrophobicContact CG-CD2 4.48Å; F481-F494 HydrophobicContact CB-CE2 4Å; F481-F494 HydrophobicContact CB-CZ 3.81Å; F481-F494 AromaticContact CD1-CE2 3.74Å; F481-F494 HydrophobicContact CD1-CE2 3.74Å; F481-F494 AromaticContact CD1-CZ 3.67Å; F481-F494 HydrophobicContact CD1-CZ 3.67Å; F481-F494 HydrophobicContact CE1-CZ 4.44Å; F481-F494 HydrophobicContact CG-CE2 4.2Å; F481-F494 AromaticContact CG-CZ 3.86Å; F481-F494 HydrophobicContact CG-CZ 3.86Å; K492-F494 HydrophobicContact CB-CD2 4.19Å; K492-F494 HydrophobicContact CB-CE2 3.73Å; K492-F494 HydrophobicContact CB-CZ 4.37Å; K492-F494 HydrophobicContact CD-CE1 4.21Å; K492-F494 HydrophobicContact CD-CE2 3.97Å; K492-F494 HydrophobicContact CD-CZ 3.77Å; K492-F494 HydrophobicContact CG-CD2 4.45Å; K492-F494 HydrophobicContact CG-CE2 4.15Å; K492-F494 HydrophobicContact CG-CZ 4.45Å; K492-F494 WeakPolarHBondContact O-CD2 3.34Å; F494-L496 HydrophobicContact CB-CD2 3.62Å; F494-L496 HydrophobicContact CB-CG 3.82Å; F494-L496 HydrophobicContact CD1-CD2 4.15Å; F494-L496 HydrophobicContact CG-CD2 4.08Å
495H95Very high95.1Very high91 Ų9184.6 Ų84.642%0.42140%0.398SS..EExtended strand (participates in β ladder)trans-99107.6158.9179.687.3000107Y474Y474-H495 AromaticContact CD2-CE1 3.17Å; Y474-H495 WeakPolarHBondContact CD2-CE1 3.37Å; Y474-H495 AromaticContact CD2-ND1 3.57Å; Y474-H495 AromaticContact CD2-NE2 3.99Å; Y474-H495 AromaticContact CE2-CE1 3.39Å; Y474-H495 WeakPolarHBondContact CE2-CE1 3.48Å; Y474-H495 AromaticContact CE2-ND1 3.79Å; Y474-H495 AromaticContact CG-CE1 3.58Å; Y474-H495 AromaticContact CZ-CE1 3.98Å
496L94.6Very high94.7Very high5 Ų584.1 Ų84.13%0.02639%0.392CS..EExtended strand (participates in β ladder)trans-106.1101.1-174.7-60.2-178.8000109.8I459 Y474 E475 Y479 F494 L501I459-L496 HydrophobicContact CD1-CD2 3.72Å; I459-L496 HydrophobicContact CG2-CD1 4.28Å; Y474-L496 CarbonylContact C-O 3.51Å; Y474-L496 WeakPolarHBondContact CA-O 3.39Å; Y474-L496 WeakPolarHBondContact CB-O 3.04Å; E475-L496 HydrophobicContact CG-CB 4.31Å; E475-L496 PolarHBondContact N-O 3.38Å; E475-L496 PolarHBondContact O-N 3.2Å; Y479-L496 HydrophobicContact CD1-CD1 3.76Å; Y479-L496 HydrophobicContact CD2-CD1 4Å; Y479-L496 HydrophobicContact CD2-CG 4.49Å; Y479-L496 HydrophobicContact CE1-CD1 3.48Å; Y479-L496 VanDerWaalsContact CE1-CD1 3.48Å; Y479-L496 HydrophobicContact CE2-CD1 3.73Å; Y479-L496 HydrophobicContact CE2-CG 4.14Å; Y479-L496 HydrophobicContact CG-CD1 4.04Å; F494-L496 HydrophobicContact CB-CD2 3.62Å; F494-L496 HydrophobicContact CB-CG 3.82Å; F494-L496 HydrophobicContact CD1-CD2 4.15Å; F494-L496 HydrophobicContact CG-CD2 4.08Å; L496-L501 HydrophobicContact CD2-CD2 4.47Å
497E95.8Very high94.1Very high79 Ų7982.3 Ų82.337%0.36938%0.384SS..EExtended strand (participates in β ladder)trans-72.6128.4164.8-70177.4-169.600109.4D499 K500E497-D499 VanDerWaalsContact C-N 3.26Å; E497-D499 PolarHBondContact O-N 2.94Å; E497-K500 HydrophobicContact CB-CB 4.27Å; E497-K500 HydrophobicContact CB-CG 3.67Å; E497-K500 PolarHBondContact O-N 2.83Å; E497-K500 VanDerWaalsContact O-N 3.1Å; E497-K500 WeakPolarHBondContact OE2-CE 3.19Å; E497-K500 WeakPolarHBondContact OE2-CG 3.41Å
498Y94.1Very high93.5Very high76 Ų7680.4 Ų80.430%0.29839%0.385SS..G310 helixtrans-66-29-175-55.9-57.1000112.9K470 T471 N472 A473 E475 K500 L501K470-Y498 WeakPolarHBondContact CE-OH 3.42Å; T471-Y498 WeakPolarHBondContact O-CE2 3.28Å; T471-Y498 PolarHBondContact O-OH 2.98Å; N472-Y498 WeakPolarHBondContact O-CD2 3.42Å; A473-Y498 WeakPolarHBondContact O-CD2 3.49Å; A473-Y498 PolarHBondContact O-N 3.48Å; E475-Y498 HydrophobicContact CB-CE1 4.41Å; E475-Y498 HydrophobicContact CG-CE1 3.76Å; Y498-K500 VanDerWaalsContact C-N 3.27Å; Y498-K500 PolarHBondContact O-N 2.87Å; Y498-L501 HydrophobicContact CD1-CD1 4.49Å; Y498-L501 PolarHBondContact O-N 3.37Å
499D95.4Very high92.4Very high122 Ų12279.8 Ų79.865%0.65240%0.401SS*.G310 helixtrans-63.3-32174.8-177.160.3000112.6K453 E497 L501K453-D499 PolarHBondContact NZ-O 3.15Å; E497-D499 VanDerWaalsContact C-N 3.26Å; E497-D499 PolarHBondContact O-N 2.94Å; D499-L501 VanDerWaalsContact C-N 3.31Å
500K95.6Very high90.9Very high52 Ų5280.8 Ų80.823%0.22642%0.415CS..G310 helixtrans-80.7-11.6179.1-53.4-58.1-170.2173.30113.3K453 E454 E497 Y498K453-K500 WeakPolarHBondContact CB-O 3.44Å; K453-K500 WeakPolarHBondContact CG-O 3.29Å; K453-K500 PolarHBondContact N-O 3.08Å; E454-K500 HydrophobicContact CG-CD 4.39Å; E454-K500 WeakPolarHBondContact OE1-CD 3.17Å; E454-K500 WeakPolarHBondContact OE1-CE 3.36Å; E454-K500 IonicContact OE1-NZ 2.73Å; E454-K500 PolarHBondContact OE1-NZ 2.97Å; E454-K500 IonicContact OE2-NZ 3.63Å; E497-K500 HydrophobicContact CB-CB 4.27Å; E497-K500 HydrophobicContact CB-CG 3.67Å; E497-K500 PolarHBondContact O-N 2.83Å; E497-K500 VanDerWaalsContact O-N 3.1Å; E497-K500 WeakPolarHBondContact OE2-CE 3.19Å; E497-K500 WeakPolarHBondContact OE2-CG 3.41Å; Y498-K500 VanDerWaalsContact C-N 3.27Å; Y498-K500 PolarHBondContact O-N 2.87Å
501L95.4Very high89.3Confident21 Ų2184.5 Ų84.511%0.1143%0.429CS..BIsolated β-bridgetrans-84.5145.6171.5-60.6180000110R450 Y451 H452 K453 L496 Y498 D499R450-L501 HydrophobicContact CB-CD1 4.34Å; R450-L501 HydrophobicContact CB-CD2 4.33Å; Y451-L501 CarbonylContact O-C 3.56Å; Y451-L501 WeakPolarHBondContact O-CA 3.48Å; H452-L501 HydrophobicContact CB-CD2 4.25Å; K453-L501 WeakPolarHBondContact CE-O 3.39Å; K453-L501 PolarHBondContact NZ-O 3.08Å; L496-L501 HydrophobicContact CD2-CD2 4.47Å; Y498-L501 HydrophobicContact CD1-CD1 4.49Å; Y498-L501 PolarHBondContact O-N 3.37Å; D499-L501 VanDerWaalsContact C-N 3.31Å
502E94.1Very high87.9Confident88 Ų8890.2 Ų90.241%0.41145%0.451SS..  trans-71.6145.2168.4-85-59.4163.300112.2Y451 K453Y451-E502 HydrophobicContact CD1-CG 4.03Å; Y451-E502 PolarHBondContact O-N 2.88Å; K453-E502 WeakPolarHBondContact CE-OE1 3.5Å; K453-E502 HydrophobicContact CG-CG 3.9Å; K453-E502 WeakPolarHBondContact CG-OE1 3.16Å
503E93.3Very high87Confident159 Ų15991.7 Ų91.774%0.74346%0.455SS*.  trans-74.3-172.5168-66.3-160.4165.100110.5P505E503-P505 WeakPolarHBondContact O-CD 3.06Å
504R92.1Very high86.3Confident156 Ų15689.6 Ų89.659%0.58945%0.448SS*.SBendtrans-62.8123.6175.1-174.2178.4-173.5166.87.5109.5F445 H506F445-R504 HydrophobicContact CD1-CB 4.22Å; F445-R504 HydrophobicContact CD1-CG 4Å; F445-R504 HydrophobicContact CE1-CB 3.87Å; F445-R504 HydrophobicContact CE1-CG 4.06Å; F445-R504 HydrophobicContact CE2-CB 4.24Å; F445-R504 HydrophobicContact CG-CG 4.43Å; F445-R504 HydrophobicContact CZ-CB 3.87Å; R504-H506 PolarHBondContact O-N 3.39Å
505P90.4Very high85.5Confident28 Ų2892.5 Ų92.518%0.18247%0.468CS..PPolyproline II helixtrans-59.1128.1-177-23.632.5000112.2L438 A441 V442 E503L438-P505 HydrophobicContact CD1-CB 3.61Å; A441-P505 HydrophobicContact CB-CB 4.24Å; A441-P505 HydrophobicContact CB-CG 3.78Å; V442-P505 HydrophobicContact CG2-CB 4Å; V442-P505 HydrophobicContact CG2-CG 4.43Å; E503-P505 WeakPolarHBondContact O-CD 3.06Å
506H87.6Confident84.7Confident149 Ų14990 Ų9069%0.6946%0.463SS*.PPolyproline II helixtrans-84.8120-179.4177.577.7000110.9L438 R504 P508L438-H506 WeakPolarHBondContact CD2-O 3.35Å; R504-H506 PolarHBondContact O-N 3.39Å; H506-P508 WeakPolarHBondContact O-CD 3.15Å
507V84.8Confident84Confident58 Ų5897.3 Ų97.335%0.35250%0.497SS..PPolyproline II helixtrans-88.2116.5176.2-174.70000110.1L435 L438 L439 V442 S509L435-V507 HydrophobicContact CD1-CG1 3.87Å; L438-V507 HydrophobicContact CD2-CB 4.45Å; L438-V507 HydrophobicContact CD2-CG2 4.37Å; L438-V507 HydrophobicContact CG-CG2 4.24Å; L439-V507 HydrophobicContact CD2-CG2 4.43Å; V442-V507 HydrophobicContact CG2-CG2 3.97Å; V507-S509 PolarHBondContact O-N 2.97Å
508P83.2Confident83.1Confident63 Ų6399.8 Ų99.841%0.40951%0.509SS..PPolyproline II helixtrans-59.8136.2176-23.934.1000112H506H506-P508 WeakPolarHBondContact O-CD 3.15Å
509S74.8Confident82.2Confident121 Ų12197.7 Ų97.785%0.84651%0.507SS*.SBendtrans-83.6-12.5-177.846.60000114.4V507V507-S509 PolarHBondContact O-N 2.97Å
510T65.1Low81Confident118 Ų118101.8 Ų101.872%0.72452%0.519SS*.  trans-132.2131.1174.749.70000110.5
511F63.8Low80.3Confident114 Ų114104.3 Ų104.350%0.553%0.534SS..  trans-120.153.9-175.1-150.3-89.5000111.6L435 Y513L435-F511 HydrophobicContact CB-CE2 4.29Å; F511-Y513 VanDerWaalsContact C-N 3.25Å; F511-Y513 PolarHBondContact O-N 3.26Å
512N65.1Low79.5Confident177 Ų177108.6 Ų108.695%0.94756%0.556SS**  trans-9361.2165.1-80.7-11.3000108.9
513Y76.4Confident78.7Confident121 Ų121109.8 Ų109.848%0.47556%0.564SS.*  trans-119.6122.4179.9-176.9-104.4000109.5F511 P515F511-Y513 VanDerWaalsContact C-N 3.25Å; F511-Y513 PolarHBondContact O-N 3.26Å; Y513-P515 HydrophobicContact CE1-CB 3.77Å; Y513-P515 HydrophobicContact CE1-CG 4.16Å
514N80.1Confident77.8Confident72 Ų72106.9 Ų106.939%0.38555%0.553SS.*  trans-122.1107.1169.5-179.2-4000107.8A516 Q517N514-A516 PolarHBondContact O-N 2.97Å; N514-A516 WeakPolarHBondContact OD1-CB 2.91Å; N514-A516 PolarHBondContact OD1-N 2.98Å; N514-A516 VanDerWaalsContact OD1-N 3.12Å; N514-Q517 HydrophobicContact CB-CB 4.45Å; N514-Q517 HydrophobicContact CB-CG 4.08Å; N514-Q517 PolarHBondContact O-N 3.34Å
515P79.1Confident76.9Confident73 Ų73103.8 Ų103.847%0.47455%0.551SS.*G310 helixtrans-60-29.9-177.322.3-31.5000112.4Y513 Q517 Q518 A519Y513-P515 HydrophobicContact CE1-CB 3.77Å; Y513-P515 HydrophobicContact CE1-CG 4.16Å; P515-Q517 PolarHBondContact O-N 2.72Å; P515-Q518 CarbonylContact O-C 3.36Å; P515-Q518 PolarHBondContact O-N 2.97Å; P515-A519 PolarHBondContact O-N 3.17Å; P515-A519 VanDerWaalsContact O-N 3.12Å
516A78.9Confident76Confident38 Ų38108.9 Ų108.931%0.31458%0.576SS.*G310 helixtrans-67.2-18.1178.100000113.9W383 N514 Q518W383-A516 HydrophobicContact CB-CB 3.68Å; W383-A516 HydrophobicContact CG-CB 4.15Å; N514-A516 PolarHBondContact O-N 2.97Å; N514-A516 WeakPolarHBondContact OD1-CB 2.91Å; N514-A516 PolarHBondContact OD1-N 2.98Å; N514-A516 VanDerWaalsContact OD1-N 3.12Å; A516-Q518 VanDerWaalsContact C-N 3.33Å
517Q78.8Confident75.2Confident158 Ų158106 Ų10674%0.73857%0.568SS**G310 helixtrans-84.3-9.6173.5-69178-15.100113.2N514 P515N514-Q517 HydrophobicContact CB-CB 4.45Å; N514-Q517 HydrophobicContact CB-CG 4.08Å; N514-Q517 PolarHBondContact O-N 3.34Å; P515-Q517 PolarHBondContact O-N 2.72Å
518Q77.4Confident74.4Confident132 Ų132109.7 Ų109.762%0.61758%0.584SS**SBendtrans-127.621.2-178.3-58.3-178.69.100110.9P515 A516P515-Q518 CarbonylContact O-C 3.36Å; P515-Q518 PolarHBondContact O-N 2.97Å; A516-Q518 VanDerWaalsContact C-N 3.33Å
519A74.1Confident73.7Confident31 Ų31113.6 Ų113.626%0.25660%0.599SS.*  trans-75.8134.2173.400000109.2P515P515-A519 PolarHBondContact O-N 3.17Å; P515-A519 VanDerWaalsContact O-N 3.12Å
520F71Confident73.6Confident208 Ų208112.9 Ų112.991%0.91258%0.577SS**  trans74.80-176.4-48.1-83000114.8L365L365-F520 HydrophobicContact CD2-CD1 4.4Å; L365-F520 HydrophobicContact CD2-CE1 3.73Å

Retrieved 520 of 520 residues in 506.8 ms (Link to these results)