A0A087Y4G1_POEFO Loading...

Mitochondrial transcription rescue factor 1

AlphaFold DB , UniProt , Accession A0A087Y4G1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 237 aa.

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

Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M40.9Very low43Very low254 Ų254159.6 Ų159.6100%1.25183%0.828SS**  0136.80-84162.5144.200108.8
2K42.3Very low43.2Very low201 Ų201158.4 Ų158.487%0.87483%0.832SS**  trans-92.4168.2-166.9-93.3175.1171.6171.20112.7
3C38.5Very low43.8Very low119 Ų119155.7 Ų155.780%0.80483%0.826SS**  trans88.3110.9161.3-54.50000114.1
4R41.9Very low43.8Very low246 Ų246149.7 Ų149.793%0.92882%0.82SS**  cis71.4103.343.1-131.3-166.7-155.5-156.95.5113.7
5A45.6Very low43.6Very low78 Ų78157 Ų15765%0.64583%0.831SS**  71.1127.212600000122.9
6M41.4Very low43.5Very low177 Ų177154.6 Ų154.687%0.87283%0.831SS**  101.1126.3126-74.716782.700121.9
7K49Very low43.9Very low171 Ų171152.5 Ų152.574%0.74383%0.831SS**  trans15.8133.1141.3-87.7171.6171.31750119.3Y9K7-Y9 WeakPolarHBondContact CE-OH 3.35Å
8G40.1Very low43.9Very low75 Ų75150.8 Ų150.877%0.77383%0.832SS**  trans-165.3129.815700000111.8
9Y43.1Very low43.8Very low180 Ų180151.8 Ų151.871%0.70683%0.833SS**  trans-101.6161.5-179.8-40.1-95.9000110.3K7K7-Y9 WeakPolarHBondContact CE-OH 3.35Å
10S45.5Very low44.2Very low101 Ų101154 Ų15471%0.70684%0.836SS**  trans62.5127.3150.3700000120.7
11L44.1Very low44.3Very low154 Ų154151.7 Ų151.781%0.80683%0.832SS**  179113.5106.3-94.8153.1000110
12V46.2Very low44.7Very low145 Ų145146.5 Ų146.588%0.87981%0.808SS**  trans-88.2115.8160.3154.20000106.8
13T50.6Low44.9Very low123 Ų123143.8 Ų143.876%0.75581%0.808SS**  trans-121.2108.4157.646.70000107.5W15T13-W15 PolarHBondContact O-N 2.89Å
14G43.4Very low45.4Very low72 Ų72145.4 Ų145.474%0.74281%0.808SS**  trans-74.5111.517100000110
15W41.9Very low45.6Very low259 Ų259143.1 Ų143.198%0.98181%0.808SS**  trans-114.8113.4155.9-90.8-3.3000107.1T13T13-W15 PolarHBondContact O-N 2.89Å
16S42Very low45.5Very low118 Ų118145.7 Ų145.783%0.82582%0.816SS**  trans-123.5103.1170.5630000110.3
17S49.9Very low46Very low119 Ų119145.7 Ų145.783%0.83282%0.818SS**  53.296.8129.4-176.90000118.8
18S43.6Very low45.7Very low123 Ų123141.9 Ų141.986%0.8682%0.819SS**  trans-159.380.4135.7-170.80000110.6
19M43Very low45.8Very low170 Ų170146.4 Ų146.484%0.83782%0.822SS**  trans-132129.5153.1-76.7-154.878.300106.1
20Q51.8Low46.1Very low194 Ų194149.4 Ų149.491%0.90783%0.832SS**  trans151.297.7144.3-81.5162.137.800110.7
21S45.7Very low46.5Very low107 Ų107152.7 Ų152.775%0.74884%0.836SS**SBendtrans167.7117.7154.6159.60000107
22L48.8Very low46.4Very low144 Ų144155.4 Ų155.475%0.75484%0.842SS**  cis-158.8108.77.9-88.5155.2000105.4L24L22-L24 PolarHBondContact O-N 3.38Å
23V47.6Very low46Very low144 Ų144151.8 Ų151.887%0.87383%0.833SS**  trans-90.287.7161.5174.90000106
24L49Very low45.8Very low153 Ų153157.4 Ų157.480%0.80184%0.841SS**  trans-149.884.4168.6-80.3-178.1000110.3L22L22-L24 PolarHBondContact O-N 3.38Å
25Q45.4Very low45.6Very low199 Ų199162.2 Ų162.293%0.9385%0.849SS**  trans-155.152.5151-126.9174.3-3.300111.5
26V44.7Very low45.7Very low132 Ų132157.1 Ų157.180%0.884%0.841SS**  trans-113.980.1165.9-179.90000107.3
27L50.3Low46.5Very low177 Ų177156.7 Ų156.793%0.92784%0.835SS**  trans17280.5160.9-105.9142.9000110.3
28A44.4Very low46.1Very low91 Ų91161.8 Ų161.875%0.75284%0.836SS**SBendtrans-159.4129.7154.100000110.6
29M42.1Very low46Very low169 Ų169163.4 Ų163.483%0.83383%0.829SS**  trans81.358.1159.8-43.1-49.8-82.100118.1
30R48.7Very low46.3Very low244 Ų244163.8 Ų163.892%0.92183%0.834SS**  trans-98.167.9154.4-171.2-167.7-169.1-1764.5109.9
31Q54.2Low46Very low170 Ų170162.2 Ų162.279%0.79483%0.831SS**  trans-161.795.7162.5-68.5-155.8-2.600111.5
32F42.2Very low45.8Very low211 Ų211161.8 Ų161.893%0.92583%0.834SS**  trans-157.787.9140.4-87.5-65.2000107
33G37.3Very low45.5Very low68 Ų68159.8 Ų159.870%0.70184%0.839SS**  trans-70146.9163.500000110.2
34R45.4Very low44.9Very low241 Ų241156.1 Ų156.191%0.90983%0.83SS**  trans47.7122152.4-80.2-179.6162.7-167.2-4.5117.6
35L39.8Very low44.7Very low174 Ų174160.8 Ų160.891%0.91184%0.838SS**  -167.7157.1116.7-92.4173.9000110.9
36N44.5Very low44.4Very low152 Ų152154.8 Ų154.881%0.81383%0.83SS**  trans-55.9159.5-160-90.9-29.2000120.1
37P58Low44.5Very low109 Ų109154.8 Ų154.871%0.70883%0.833SS**  trans-91.7127.1162.635.1-25.3000110.7
38R41.4Very low44.2Very low226 Ų226158.3 Ų158.385%0.85383%0.834SS**  trans-179.6132.4153.5-106.6167.2-160.8-165.14.3111.8
39H42.2Very low44.1Very low156 Ų156163.7 Ų163.772%0.72284%0.835SS**  trans63.1122.9160.8-59.9-68.8000117.5
40L49.7Very low44.3Very low179 Ų179162.6 Ų162.694%0.93784%0.838SS**  -156.6124.4112.1-91.8179.4000110
41L44.3Very low44.1Very low160 Ų160157.6 Ų157.684%0.83883%0.825SS**  trans-75.5138.8163.5-75.8147.4000109
42A42.3Very low43.7Very low99 Ų99161.9 Ų161.982%0.81883%0.834SS**  trans-164.2105.2149.400000106.8
43A41.7Very low44.1Very low102 Ų102157 Ų15784%0.84383%0.825SS**  86.193.279.500000112.9
44G35.5Very low44.8Very low67 Ų67159.9 Ų159.969%0.69183%0.831SS**  trans67.3117136.400000119.5
45Y45.1Very low44.8Very low250 Ų250159.5 Ų159.598%0.9883%0.83SS**  -167.4136.4112.9-88.1-71.8000107.9
46G38.9Very low45.5Very low74 Ų74157.1 Ų157.176%0.76382%0.823SS**PPolyproline II helixtrans-94172.9-142.700000119.5
47P46.3Very low46Very low131 Ų131157.2 Ų157.285%0.85182%0.821SS**PPolyproline II helixtrans-98.3140.4169.633.2-23.1000112.1
48R44.3Very low45.8Very low251 Ų251160 Ų16095%0.94782%0.824SS**PPolyproline II helixtrans-63.5144.1171.8-91.3-162.8173.1-143.13.1111.7
49R42.6Very low46.2Very low205 Ų205154.8 Ų154.877%0.77482%0.818SS**PPolyproline II helixtrans-53.1136.6175.4-60.4176.5172.6-142.26.3113.7E51R49-E51 IonicContact CZ-OE1 3.88Å; R49-E51 IonicContact NH1-OE1 2.88Å; R49-E51 PolarHBondContact NH1-OE1 3.19Å
50T46.8Very low46.6Very low146 Ų146156.7 Ų156.790%0.89682%0.819SS**  -142.7131.9122.243.90000108.5
51E44.2Very low46.7Very low138 Ų138157.1 Ų157.165%0.64582%0.816SS**  trans-88130.1-164.8-64.7155.9-178.600110.2R49R49-E51 IonicContact CZ-OE1 3.88Å; R49-E51 IonicContact NH1-OE1 2.88Å; R49-E51 PolarHBondContact NH1-OE1 3.19Å
52W45Very low46.9Very low261 Ų261154.8 Ų154.899%0.98980%0.804SS**  trans-151100.8150.1-13626.3000110.2
53C51.4Low46.9Very low109 Ų109161.6 Ų161.674%0.73681%0.809SS**  trans-95.1138176-670000110.1
54P50.6Low46.6Very low128 Ų128159.5 Ų159.583%0.83180%0.797SS**  trans-83.7135.9165.333.7-28.7000109.8
55R45.7Very low46.6Very low233 Ų233162.6 Ų162.688%0.87981%0.807SS**  trans-137.9149.4167.9-77.5-174.1173.9173.4-1.4107.3
56T55.2Low46.5Very low124 Ų124155.3 Ų155.376%0.76179%0.792SS**  cis-170.6141.3-18.3-69.30000102.6
57I54.8Low46.5Very low154 Ų154156.8 Ų156.879%0.7979%0.787SS**  trans-65.9133.3176.4-65159.7000109.9
58H52.8Low46.4Very low166 Ų166159.2 Ų159.277%0.76978%0.784SS**  trans-114.3107.7168.2-159.2-70.3000110.5
59T50.3Low46.2Very low118 Ų118152.7 Ų152.772%0.72478%0.777SS**  trans-79136.2163.447.20000109.8
60R50.7Low46.3Very low196 Ų196147.4 Ų147.474%0.7478%0.777SS**  trans-147.4100.6157-162.5175-174.7-95.55.8110.3L62R60-L62 VanDerWaalsContact NH2-CD1 3.29Å
61Q53.1Low46.2Very low187 Ų187149 Ų14987%0.87478%0.779SS**  trans-89.1139.4156.8-68.2-160-15.800108.8
62L48.5Very low45.6Very low112 Ų112146 Ų14659%0.58679%0.786SS**  trans-149.2113.3153.3-82.7-179.6000109.9R60R60-L62 VanDerWaalsContact NH2-CD1 3.29Å
63W41.2Very low45.1Very low241 Ų241137.3 Ų137.391%0.91378%0.777SS**  trans40.1121.7134.6-103-63.1000121.9
64G36.1Very low44.4Very low58 Ų58140.4 Ų140.460%0.59878%0.78SS**  111.7121.793.700000119.2
65C35.4Very low43.7Very low133 Ų133145.9 Ų145.990%0.89978%0.784SS**  trans66.7144.3147.9-570000117.4
66S41.8Very low44.1Very low97 Ų97140 Ų14068%0.67878%0.776SS**  cis-168.9139.123.644.70000111.1
67T39.9Very low43.3Very low105 Ų105138 Ų13864%0.64477%0.773SS**  trans69.4133.4131.267.50000125.6
68F44.5Very low42.5Very low181 Ų181138.1 Ų138.179%0.79477%0.774SS**  trans90.9111.1142.1-58.7-52000122.9
69S38.9Very low42.3Very low115 Ų115139.8 Ų139.880%0.80478%0.779SS**  75.4130.3117.9-57.90000123
70A46.3Very low41.9Very low94 Ų94140.4 Ų140.478%0.77778%0.783SS**  trans-72.1146.5170.800000113.8
71L42.9Very low41.5Very low179 Ų179142.7 Ų142.794%0.93779%0.791SS**  trans-175.2143.6136.5-14176.7000111.8
72G33Very low41.2Very low75 Ų75139.6 Ų139.677%0.77379%0.791SS**  trans89.5109.5138.100000118.1
73G34.9Very low41.1Very low78 Ų78141 Ų14180%0.80480%0.798SS**  trans-85.8176.4178.600000115.9
74H36.6Very low41.6Very low174 Ų174136.8 Ų136.881%0.80679%0.789SS**  -168.4141.2125.880.4-75.8000109.1
75W36Very low42Very low244 Ų244143.4 Ų143.492%0.92480%0.803SS**  trans-90.3159.9159.5-87.424.4000107.4
76P52.6Low42.8Very low108 Ų108144.9 Ų144.970%0.70180%0.801SS**  -154.6173.251.138.8-15.9000117.4
77A39.7Very low43.2Very low84 Ų84151.6 Ų151.669%0.69481%0.812SS**  151.8107122.800000113.4
78L37.7Very low43.5Very low155 Ų155155.9 Ų155.981%0.81282%0.822SS**  47.5109.1129.4-76.9149000118.8
79K49.2Very low43.8Very low201 Ų201157 Ų15787%0.87483%0.826SS**  -176.2130.493.2-94.2169.7-171.8-178.40112
80T41Very low44.5Very low131 Ų131156.7 Ų156.780%0.80483%0.825SS**  trans-77.9168.3173.937.10000112.5
81W43.3Very low44.9Very low244 Ų244162.3 Ų162.392%0.92483%0.831SS**  trans-48.4158.5-163.6-55.2-42.2000120.3
82S46.4Very low44.8Very low123 Ų123163.4 Ų163.486%0.8683%0.829SS**  trans-138.5141.513456.90000112.1
83L45.7Very low45.3Very low141 Ų141169.7 Ų169.774%0.73884%0.835SS**  trans-75.3146.9-175.1-84.6129.8000113.2
84Q52.2Low45.7Very low153 Ų153170 Ų17072%0.71583%0.83SS**  trans53.4122.4140.3-68.9175.9-9.400120.5
85H45.1Very low46.1Very low196 Ų196168 Ų16891%0.90783%0.832SS**  trans-138.9113.5130.6-113.5-172.7000110.7
86L51.3Low46.2Very low164 Ų164161.5 Ų161.586%0.85982%0.824SS**  trans-60.2130.3164.8-91.2145.2000109.6
87R50.8Low45.9Very low239 Ų239168.4 Ų168.490%0.90284%0.836SS**  trans-143.5147.8165.4-151.9172.1-177.9134.1-0.5111.9
88F46Very low45.7Very low195 Ų195168.8 Ų168.886%0.85584%0.84SS**  trans-66.5152-151.9-73.8-98.6000118.6
89K49.5Very low45.6Very low203 Ų203166.5 Ų166.588%0.88384%0.843SS**  trans-32.1127.9161.1-155169.9-171.71730114.3
90S53.8Low45Very low110 Ų110165.6 Ų165.677%0.76984%0.842SS**  trans-142.1129.7152.5660000110.4K92S90-K92 PolarHBondContact O-N 3.24Å
91K54.4Low44.9Very low211 Ų211168 Ų16892%0.91784%0.844SS**  trans-71.5113.3174.3-81.1177.5172.9-179.60108
92K42.5Very low44.4Very low202 Ų202165.1 Ų165.188%0.87884%0.841SS**  trans-107.7113.3166.7-159.3169-175.3178.10109S90 A94S90-K92 PolarHBondContact O-N 3.24Å; K92-A94 PolarHBondContact O-N 3.07Å
93K43.7Very low44Very low207 Ų207167.6 Ų167.690%0.984%0.839SS**  trans-64.3122.7178-147.2176.6-174.7-176.70108.5
94A41.4Very low43.7Very low86 Ų86166.6 Ų166.671%0.71183%0.834SS**  trans-95.3138.6166.500000108.7K92K92-A94 PolarHBondContact O-N 3.07Å
95P45.2Very low43Very low130 Ų130165.5 Ų165.584%0.84483%0.833SS**  trans-87.5107.2169.632.1-26.4000108.8
96S38.8Very low43.2Very low109 Ų109160.6 Ų160.676%0.76282%0.821SS**  trans-82.2113.4164.650.90000108.8A98S96-A98 PolarHBondContact O-N 3.33Å
97R46Very low42.7Very low253 Ų253160.9 Ų160.996%0.95582%0.818SS**  trans-56.5118.8156.1-80.2174.9165.3165.1-5.5107.8
98A35.8Very low42.1Very low92 Ų92156.9 Ų156.976%0.7681%0.814SS**  trans-138.9142.1165.700000108.3S96S96-A98 PolarHBondContact O-N 3.33Å
99A35.3Very low41.9Very low107 Ų107155.2 Ų155.288%0.88481%0.809SS**  trans-54.9140.5-166.900000113.7
100Q37.3Very low41.5Very low181 Ų181151.9 Ų151.985%0.84680%0.801SS**  trans-80.8123.1169.8179.7177.8-31.200107.9
101E38.5Very low41Very low183 Ų183154 Ų15486%0.85580%0.804SS**  trans159.470.2147.3-86.4173.4-148.200109.2
102E33.5Very low41.3Very low182 Ų182147.9 Ų147.985%0.8579%0.786SS**  trans-119100.7156.2-71.7-80.2173.100104.3D104E102-D104 PolarHBondContact O-N 3.47Å
103E36.8Very low41.4Very low175 Ų175147.4 Ų147.482%0.81879%0.787SS**  trans-78.470.7168.3-155.8-174.5-168.400107.1D105E103-D105 PolarHBondContact O-N 3.36Å
104D39.3Very low41.2Very low121 Ų121146.7 Ų146.765%0.64779%0.787SS**  trans-88.481.8165.1-174.223.4000107.6E102 S106E102-D104 PolarHBondContact O-N 3.47Å; D104-S106 PolarHBondContact O-N 2.85Å; D104-S106 VanDerWaalsContact O-N 3.1Å; D104-S106 PolarHBondContact OD1-OG 2.93Å
105D38.4Very low41.6Very low130 Ų130147 Ų14770%0.69578%0.783SS**  trans-82.275.9166.9-167.518.8000108.4E103E103-D105 PolarHBondContact O-N 3.36Å
106S49.2Very low41.4Very low93 Ų93146.9 Ų146.965%0.6578%0.776SS**  trans-102.473.6166.1-69.40000108.1D104D104-S106 PolarHBondContact O-N 2.85Å; D104-S106 VanDerWaalsContact O-N 3.1Å; D104-S106 PolarHBondContact OD1-OG 2.93Å
107E40.9Very low41.7Very low169 Ų169151.6 Ų151.679%0.7978%0.778SS**  trans-113109.3167.9-74.6-166.8175.600112.1
108D37.1Very low41.8Very low155 Ų155144.6 Ų144.683%0.82976%0.756SS**  81.9136.7124.9-145.318000121.3
109E42.4Very low42.8Very low161 Ų161148.3 Ų148.375%0.75276%0.764SS**  trans-80.1151.7-175.4-63.5-178.8147.100111.7
110N42.1Very low43.6Very low133 Ų133149.2 Ų149.271%0.71175%0.749SS**  trans60.7113.9157.6-85.8-67.8000119.5
111D43.5Very low44.1Very low153 Ų153147 Ų14782%0.81874%0.743SS**  -145.5136112.5-156.225.6000109.4
112P58.8Low44.9Very low84 Ų84144.3 Ų144.355%0.54574%0.742SS.*  trans-93.5168.3178.431.9-17.3000111.4
113E45.9Very low45.8Very low192 Ų192142.8 Ų142.890%0.89774%0.74SS**  trans91.193169-48.1-157.2-179.500117.3
114E38.8Very low46.7Very low192 Ų192137.8 Ų137.890%0.89772%0.718SS**  -152.8109.9117.1-160.6165.3-164.300109D116E114-D116 PolarHBondContact O-N 3.14Å
115S50.2Low47.6Very low92 Ų92135.4 Ų135.464%0.64371%0.709SS**  trans-75.7104.5173.256.20000109.5
116D41.3Very low48.7Very low128 Ų128137.6 Ų137.668%0.68471%0.713SS**  trans-103.1111164.4-15710.6000109.4E114 E118E114-D116 PolarHBondContact O-N 3.14Å; D116-E118 PolarHBondContact O-N 2.88Å; D116-E118 VanDerWaalsContact O-N 3.14Å
117Y44.8Very low49.9Very low208 Ų208138.9 Ų138.982%0.81671%0.712SS**  trans-74.394.9-176.7-74.3-102.5000109.4
118E48.1Very low51.9Low106 Ų106135.8 Ų135.850%0.49569%0.694SS.*  trans-112.6115.2159.4-82.9-172.5170.800110.3D116 E120 R205D116-E118 PolarHBondContact O-N 2.88Å; D116-E118 VanDerWaalsContact O-N 3.14Å; E118-E120 PolarHBondContact O-N 3.15Å; E118-R205 IonicContact OE2-NH1 2.71Å
119D57.7Low54.5Low170 Ų170134 Ų13491%0.90968%0.678SS**  trans-36.3100171.6-167.221.1000113.6
120E50.1Low56.8Low126 Ų126130 Ų13059%0.58966%0.663SS**  trans-141141.2172.9-73.1-170.4178.300112.2E118 R205 R222E118-E120 PolarHBondContact O-N 3.15Å; E120-R205 IonicContact OE1-CZ 3.85Å; E120-R205 IonicContact OE1-NH2 2.65Å; E120-R205 PolarHBondContact OE1-NH2 2.82Å; E120-R205 IonicContact OE2-NH2 2.88Å; E120-R205 PolarHBondContact OE2-NH2 3.39Å; E120-R222 IonicContact OE2-NH1 3.72Å; E120-R222 PolarHBondContact OE2-NH1 3.17Å; E120-R222 VanDerWaalsContact OE2-NH1 3.15Å
121D48.5Very low59.2Low134 Ų134125.9 Ų125.972%0.71764%0.64SS**  trans-38.3135.3-157.4-70.9-56.4000118.4N123D121-N123 PolarHBondContact O-N 2.97Å
122P54.9Low61.5Low127 Ų127123.8 Ų123.883%0.82563%0.625SS**THydrogen-bonded Turntrans-70.610.2-174.828.5-35.4000116
123N53.4Low63.2Low150 Ų150122.5 Ų122.580%0.80261%0.611SS**THydrogen-bonded Turntrans-112.34.5-169.4-148.542.4000115.1D121D121-N123 PolarHBondContact O-N 2.97Å
124L55.9Low65.4Low70 Ų70119.3 Ų119.337%0.36659%0.591SS.*SBendtrans-104.9137.2171.1-86.799000111.4K126 L227L124-K126 PolarHBondContact O-N 3.38Å; L124-L227 HydrophobicContact CD2-CD1 3.98Å; L124-L227 HydrophobicContact CD2-CD2 4.42Å
125P57Low68Low71 Ų71110.2 Ų110.246%0.46155%0.549SS..  trans-52.9126.3170.3-2534.1000110.8D127P125-D127 PolarHBondContact O-N 2.99Å
126K62.3Low70.1Confident176 Ų176109.5 Ų109.577%0.76554%0.542SS*.SBendtrans-7533.4-170.1-65.3178.1176.3-177.20113.8L124 Y128L124-K126 PolarHBondContact O-N 3.38Å; K126-Y128 VanDerWaalsContact C-N 3.28Å; K126-Y128 PolarHBondContact O-N 3.38Å
127D74.3Confident72.5Confident120 Ų120105.6 Ų105.664%0.64253%0.525SS*.  trans-96.732.2-177.1-56.4-37.4000111.9P125P125-D127 PolarHBondContact O-N 2.99Å
128Y83.7Confident74.9Confident104 Ų10498.4 Ų98.441%0.40850%0.498SS..  trans-86.3143.2174.766.4-94.3000111.1K126 R222 R223 W224K126-Y128 VanDerWaalsContact C-N 3.28Å; K126-Y128 PolarHBondContact O-N 3.38Å; Y128-R222 HydrophobicContact CD2-CG 3.98Å; Y128-R222 VanDerWaalsContact CE2-CZ 3.46Å; Y128-R222 HydrophobicContact CG-CG 4.19Å; Y128-R223 WeakPolarHBondContact CA-O 3.49Å; Y128-W224 VanDerWaalsContact CB-CE2 3.41Å; Y128-W224 HydrophobicContact CD1-CZ2 4.2Å; Y128-W224 HydrophobicContact CG-CZ2 4.13Å
129K90.7Very high77.1Confident116 Ų11696.8 Ų96.850%0.50449%0.487SS..EExtended strand (participates in β ladder)trans-120.1125.6169.9-170.8174.5-179.1174.60109M131 R223K129-M131 HydrophobicContact CD-CG 4.13Å; K129-M131 HydrophobicContact CD-SD 4.17Å; K129-M131 HydrophobicContact CG-CG 3.91Å; K129-M131 HydrophobicContact CG-SD 4.45Å; K129-R223 PolarHBondContact N-O 3.03Å; K129-R223 PolarHBondContact O-N 2.87Å
130D90.7Very high78.9Confident79 Ų7988.7 Ų88.742%0.42244%0.444SS..EExtended strand (participates in β ladder)trans-85.3132.4169.9-69.2-24.6000108.6R222D130-R222 WeakPolarHBondContact OD1-CA 3.42Å; D130-R222 WeakPolarHBondContact OD1-CB 3.38Å; D130-R222 WeakPolarHBondContact OD1-CD 3.42Å; D130-R222 WeakPolarHBondContact OD1-CG 3.44Å; D130-R222 IonicContact OD1-CZ 3.96Å; D130-R222 IonicContact OD1-NE 2.83Å; D130-R222 PolarHBondContact OD1-NE 3.32Å; D130-R222 IonicContact OD1-NH2 3.59Å; D130-R222 IonicContact OD2-CZ 3.64Å; D130-R222 IonicContact OD2-NE 3.62Å; D130-R222 PolarHBondContact OD2-NE 3.37Å; D130-R222 IonicContact OD2-NH2 2.85Å; D130-R222 PolarHBondContact OD2-NH2 3.03Å
131M92Very high81Confident46 Ų4683.9 Ų83.923%0.22742%0.422CS..EExtended strand (participates in β ladder)trans-141.7141.5-174.8-61.3-176.870.900110.1K129 I221K129-M131 HydrophobicContact CD-CG 4.13Å; K129-M131 HydrophobicContact CD-SD 4.17Å; K129-M131 HydrophobicContact CG-CG 3.91Å; K129-M131 HydrophobicContact CG-SD 4.45Å; M131-I221 PolarHBondContact N-O 3.45Å; M131-I221 PolarHBondContact O-N 3.12Å
132E93.4Very high83.2Confident109 Ų10979 Ų7951%0.50940%0.398SS..EExtended strand (participates in β ladder)trans-94.7130.4170.3-58.7-174.4159.300109.7L208 K218 V219E132-L208 HydrophobicContact CG-CD1 4.07Å; E132-L208 WeakPolarHBondContact OE1-CD1 3.48Å; E132-K218 WeakPolarHBondContact OE2-CE 3.41Å; E132-K218 IonicContact OE2-NZ 2.79Å; E132-K218 PolarHBondContact OE2-NZ 3.13Å; E132-V219 WeakPolarHBondContact CA-O 3.1Å
133K93.3Very high85.1Confident56 Ų5673.2 Ų73.224%0.24336%0.36CS..EExtended strand (participates in β ladder)trans-136.5147.5179.4-69-68.6-163.8167.40110.8A146 D149 V219 I221K133-A146 HydrophobicContact CB-CB 4.29Å; K133-A146 WeakPolarHBondContact CE-O 3.43Å; K133-D149 WeakPolarHBondContact CE-OD1 3.32Å; K133-D149 IonicContact NZ-OD1 2.85Å; K133-D149 PolarHBondContact NZ-OD1 2.75Å; K133-V219 PolarHBondContact N-O 3.45Å; K133-V219 PolarHBondContact O-N 2.91Å; K133-I221 HydrophobicContact CB-CD1 4.17Å
134Y93.2Very high87.1Confident125 Ų12566 Ų6649%0.4932%0.321SS..EExtended strand (participates in β ladder)trans-89.7124.9171.8-65.9-82.2000109.8K216 Y217 K218Y134-K216 HydrophobicContact CD1-CB 4.43Å; Y134-Y217 CarbonylContact C-O 3.56Å; Y134-Y217 WeakPolarHBondContact CA-O 3.36Å; Y134-K218 HydrophobicContact CD1-CB 3.99Å; Y134-K218 HydrophobicContact CD1-CG 4.21Å; Y134-K218 HydrophobicContact CE1-CB 3.69Å; Y134-K218 HydrophobicContact CE1-CD 4Å; Y134-K218 HydrophobicContact CE1-CG 3.7Å
135V93.4Very high89Confident1 Ų168.2 Ų68.21%0.00633%0.328CS..EExtended strand (participates in β ladder)trans-125.6127-176.3-166.10000108.5S137 V142 V143 A146 Y217 V219V135-S137 VanDerWaalsContact C-N 3.28Å; V135-S137 WeakPolarHBondContact CG1-O 3.46Å; V135-S137 PolarHBondContact O-N 3.1Å; V135-V142 HydrophobicContact CG1-CB 4.3Å; V135-V142 HydrophobicContact CG1-CG1 3.47Å; V135-V142 VanDerWaalsContact CG1-CG1 3.47Å; V135-V143 HydrophobicContact CG1-CG2 4.14Å; V135-A146 HydrophobicContact CG2-CB 3.97Å; V135-Y217 PolarHBondContact N-O 3.02Å; V135-Y217 PolarHBondContact O-N 3.01Å; V135-V219 HydrophobicContact CB-CG2 4.49Å; V135-V219 HydrophobicContact CG2-CB 4.4Å; V135-V219 HydrophobicContact CG2-CG2 4.2Å
136P93.2Very high90.7Very high77 Ų7765.7 Ų65.750%0.531%0.313SS..SBendtrans-69.2-26179.826.1-34.2000112.8V142P136-V142 HydrophobicContact CG-CG1 3.61Å
137S93Very high92.1Very high47 Ų4757.4 Ų57.433%0.32928%0.277SS..SBendtrans-157.5154.8175.762.20000112.2V135 R139V135-S137 VanDerWaalsContact C-N 3.28Å; V135-S137 WeakPolarHBondContact CG1-O 3.46Å; V135-S137 PolarHBondContact O-N 3.1Å; S137-R139 PolarHBondContact O-N 3.19Å
138F93.7Very high93Very high56 Ų5651.8 Ų51.825%0.24625%0.247CC..  trans-7533.6176.7-63.3-75.9000114.1T177 V178 V207 Y217 V219F138-T177 HydrophobicContact CB-CG2 4.24Å; F138-T177 WeakPolarHBondContact O-CA 3.36Å; F138-V178 PolarHBondContact O-N 2.83Å; F138-V207 HydrophobicContact CE1-CG2 3.6Å; F138-V207 HydrophobicContact CZ-CB 4.41Å; F138-V207 HydrophobicContact CZ-CG1 3.92Å; F138-V207 HydrophobicContact CZ-CG2 3.55Å; F138-Y217 HydrophobicContact CE2-CD1 4.1Å; F138-Y217 HydrophobicContact CE2-CD2 4.08Å; F138-Y217 HydrophobicContact CE2-CE1 4.46Å; F138-Y217 HydrophobicContact CE2-CE2 4.47Å; F138-Y217 AromaticContact CE2-CG 3.89Å; F138-Y217 HydrophobicContact CE2-CG 3.89Å; F138-Y217 HydrophobicContact CZ-CD1 4.34Å; F138-Y217 HydrophobicContact CZ-CG 4.04Å; F138-V219 HydrophobicContact CE1-CG2 3.63Å; F138-V219 HydrophobicContact CZ-CG2 4.1Å
139R94.8Very high93.3Very high72 Ų7251 Ų5127%0.27225%0.25SS..BIsolated β-bridgetrans-84.1139.6-179.9-161.8-178.6138.2142.2-7.4109.6S137 D141 V142 V143 S175S137-R139 PolarHBondContact O-N 3.19Å; R139-D141 WeakPolarHBondContact CD-OD1 3.3Å; R139-D141 WeakPolarHBondContact CG-OD1 3.36Å; R139-D141 IonicContact CZ-OD1 3.77Å; R139-D141 IonicContact CZ-OD2 3.32Å; R139-D141 VanDerWaalsContact NE-CG 3.3Å; R139-D141 IonicContact NE-OD1 2.74Å; R139-D141 PolarHBondContact NE-OD1 2.79Å; R139-D141 IonicContact NE-OD2 3.04Å; R139-D141 PolarHBondContact NE-OD2 2.96Å; R139-D141 IonicContact NH2-OD1 3.94Å; R139-D141 IonicContact NH2-OD2 2.79Å; R139-D141 PolarHBondContact NH2-OD2 2.91Å; R139-D141 PolarHBondContact O-N 3.35Å; R139-V142 HydrophobicContact CB-CB 4.28Å; R139-V142 HydrophobicContact CB-CG2 3.93Å; R139-V142 PolarHBondContact O-N 3.49Å; R139-V143 WeakPolarHBondContact O-CG2 3.19Å; R139-V143 PolarHBondContact O-N 3.07Å; R139-S175 VanDerWaalsContact NE-CB 3.33Å
140Y95.4Very high93.4Very high0 Ų047 Ų470%023%0.234CC..Hα-helixtrans-52.1-49.2-172.9-176.6-82.4000114.2V142 L144 L164 R165 L166 L171 K176 V178 L184 D185Y140-V142 PolarHBondContact O-N 2.9Å; Y140-L144 HydrophobicContact CE1-CD2 3.86Å; Y140-L144 VanDerWaalsContact O-CB 3.22Å; Y140-L144 WeakPolarHBondContact O-CB 3.38Å; Y140-L144 PolarHBondContact O-N 2.78Å; Y140-L164 HydrophobicContact CE1-CB 4.15Å; Y140-L164 HydrophobicContact CE1-CD1 4.01Å; Y140-L164 HydrophobicContact CE1-CD2 4.24Å; Y140-L164 HydrophobicContact CE1-CG 4.37Å; Y140-R165 PolarHBondContact OH-O 2.86Å; Y140-L166 HydrophobicContact CD2-CB 4.39Å; Y140-L166 HydrophobicContact CD2-CD1 3.77Å; Y140-L166 HydrophobicContact CD2-CG 4.38Å; Y140-L166 HydrophobicContact CE2-CB 3.89Å; Y140-L166 HydrophobicContact CE2-CD1 4.11Å; Y140-L166 HydrophobicContact CE2-CG 4.23Å; Y140-L171 HydrophobicContact CD1-CD2 3.37Å; Y140-L171 HydrophobicContact CD2-CD1 4.22Å; Y140-L171 HydrophobicContact CD2-CD2 4.41Å; Y140-L171 HydrophobicContact CE1-CD2 3.55Å; Y140-L171 HydrophobicContact CE2-CD1 4.45Å; Y140-L171 HydrophobicContact CE2-CD2 4.5Å; Y140-L171 HydrophobicContact CG-CD1 4.24Å; Y140-L171 HydrophobicContact CG-CD2 3.85Å; Y140-K176 WeakPolarHBondContact CB-O 3.41Å; Y140-K176 PolarHBondContact N-O 2.74Å; Y140-V178 HydrophobicContact CD2-CG2 3.91Å; Y140-V178 HydrophobicContact CG-CG2 4.34Å; Y140-L184 HydrophobicContact CD2-CB 4.49Å; Y140-L184 HydrophobicContact CD2-CD2 3.62Å; Y140-L184 HydrophobicContact CD2-CG 3.79Å; Y140-L184 HydrophobicContact CE2-CB 3.73Å; Y140-L184 HydrophobicContact CE2-CD2 3.69Å; Y140-L184 HydrophobicContact CE2-CG 3.48Å; Y140-L184 VanDerWaalsContact CE2-CG 3.48Å; Y140-L184 HydrophobicContact CG-CD2 4.17Å; Y140-D185 PolarHBondContact OH-O 3.48Å
141D94.3Very high93.5Very high25 Ų2545.9 Ų45.913%0.13424%0.236CC..Hα-helixtrans-62.9-40178.651.9-9.6000112.7R139 K145 I155R139-D141 WeakPolarHBondContact CD-OD1 3.3Å; R139-D141 WeakPolarHBondContact CG-OD1 3.36Å; R139-D141 IonicContact CZ-OD1 3.77Å; R139-D141 IonicContact CZ-OD2 3.32Å; R139-D141 VanDerWaalsContact NE-CG 3.3Å; R139-D141 IonicContact NE-OD1 2.74Å; R139-D141 PolarHBondContact NE-OD1 2.79Å; R139-D141 IonicContact NE-OD2 3.04Å; R139-D141 PolarHBondContact NE-OD2 2.96Å; R139-D141 IonicContact NH2-OD1 3.94Å; R139-D141 IonicContact NH2-OD2 2.79Å; R139-D141 PolarHBondContact NH2-OD2 2.91Å; R139-D141 PolarHBondContact O-N 3.35Å; D141-K145 WeakPolarHBondContact O-CB 3.5Å; D141-K145 PolarHBondContact O-N 3.36Å; D141-I155 HydrophobicContact CB-CG2 4.19Å
142V94.8Very high93.6Very high33 Ų3351.1 Ų51.120%0.225%0.253CS..Hα-helixtrans-68.8-45.9179.6-174.30000111.2V135 P136 R139 Y140 K145 A146V135-V142 HydrophobicContact CG1-CB 4.3Å; V135-V142 HydrophobicContact CG1-CG1 3.47Å; V135-V142 VanDerWaalsContact CG1-CG1 3.47Å; P136-V142 HydrophobicContact CG-CG1 3.61Å; R139-V142 HydrophobicContact CB-CB 4.28Å; R139-V142 HydrophobicContact CB-CG2 3.93Å; R139-V142 PolarHBondContact O-N 3.49Å; Y140-V142 PolarHBondContact O-N 2.9Å; V142-K145 WeakPolarHBondContact O-CB 3.06Å; V142-K145 PolarHBondContact O-N 2.92Å; V142-A146 PolarHBondContact O-N 3.4Å
143V95Very high93.6Very high4 Ų451.1 Ų51.12%0.02426%0.257CS..Hα-helixtrans-64.6-41.9177.4176.20000110.5V135 R139 A146 G147 L184V135-V143 HydrophobicContact CG1-CG2 4.14Å; R139-V143 WeakPolarHBondContact O-CG2 3.19Å; R139-V143 PolarHBondContact O-N 3.07Å; V143-A146 PolarHBondContact O-N 3.38Å; V143-G147 PolarHBondContact O-N 3.4Å; V143-L184 HydrophobicContact CB-CD2 4.16Å; V143-L184 HydrophobicContact CG1-CD2 3.95Å
144L94.9Very high93.7Very high0 Ų054.8 Ų54.80%027%0.272CS..Hα-helixtrans-66-38.5177.7-16969.2000112.1Y140 G147 L148 I155 L164 L184 V202Y140-L144 HydrophobicContact CE1-CD2 3.86Å; Y140-L144 VanDerWaalsContact O-CB 3.22Å; Y140-L144 WeakPolarHBondContact O-CB 3.38Å; Y140-L144 PolarHBondContact O-N 2.78Å; L144-G147 PolarHBondContact O-N 3.14Å; L144-L148 HydrophobicContact CD1-CD1 3.55Å; L144-L148 HydrophobicContact CD1-CG 4.03Å; L144-L148 HydrophobicContact CG-CD1 4.03Å; L144-L148 WeakPolarHBondContact O-CB 3.27Å; L144-L148 PolarHBondContact O-N 2.89Å; L144-I155 HydrophobicContact CD2-CG2 4.25Å; L144-L164 HydrophobicContact CD2-CD2 3.47Å; L144-L164 VanDerWaalsContact CD2-CD2 3.47Å; L144-L184 HydrophobicContact CB-CD2 4.37Å; L144-L184 HydrophobicContact CD1-CB 4.21Å; L144-V202 HydrophobicContact CD1-CB 4.45Å; L144-V202 HydrophobicContact CD1-CG2 4.06Å
145K95Very high93.8Very high116 Ų11649.2 Ų49.250%0.50425%0.251SS..Hα-helixtrans-57.5-53.1172.6-173.6-160171.2-169.70110.6D141 V142 G147 D149 L150 I155D141-K145 WeakPolarHBondContact O-CB 3.5Å; D141-K145 PolarHBondContact O-N 3.36Å; V142-K145 WeakPolarHBondContact O-CB 3.06Å; V142-K145 PolarHBondContact O-N 2.92Å; K145-G147 VanDerWaalsContact C-N 3.35Å; K145-G147 PolarHBondContact O-N 3.47Å; K145-D149 VanDerWaalsContact O-CA 3.27Å; K145-D149 WeakPolarHBondContact O-CA 3.08Å; K145-D149 PolarHBondContact O-N 3.48Å; K145-L150 WeakPolarHBondContact CG-O 3.33Å; K145-I155 HydrophobicContact CB-CD1 3.58Å; K145-I155 HydrophobicContact CG-CD1 4.2Å
146A93.6Very high93.8Very high17 Ų1752 Ų5214%0.1426%0.264CS..Hα-helixtrans-66.6-35.1-177.600000112.8K133 V135 V142 V143K133-A146 HydrophobicContact CB-CB 4.29Å; K133-A146 WeakPolarHBondContact CE-O 3.43Å; V135-A146 HydrophobicContact CG2-CB 3.97Å; V142-A146 PolarHBondContact O-N 3.4Å; V143-A146 PolarHBondContact O-N 3.38Å
147G92.4Very high93.9Very high2 Ų253.4 Ų53.42%0.02127%0.267CS..Hα-helixtrans-77.7-37.8-179.200000114.1V143 L144 K145 R223V143-G147 PolarHBondContact O-N 3.4Å; L144-G147 PolarHBondContact O-N 3.14Å; K145-G147 VanDerWaalsContact C-N 3.35Å; K145-G147 PolarHBondContact O-N 3.47Å; G147-R223 WeakPolarHBondContact O-CD 3.46Å; G147-R223 PolarHBondContact O-NE 3.41Å; G147-R223 PolarHBondContact O-NH1 2.86Å
148L91.7Very high94Very high3 Ų351.6 Ų51.62%0.01626%0.255CS..Hα-helixtrans-98.7-6-178.7-62.7-179.2000114L144 L150 L186 M200 V202 R223L144-L148 HydrophobicContact CD1-CD1 3.55Å; L144-L148 HydrophobicContact CD1-CG 4.03Å; L144-L148 HydrophobicContact CG-CD1 4.03Å; L144-L148 WeakPolarHBondContact O-CB 3.27Å; L144-L148 PolarHBondContact O-N 2.89Å; L148-L150 HydrophobicContact CB-CB 4.45Å; L148-L150 HydrophobicContact CB-CD1 3.79Å; L148-L150 HydrophobicContact CB-CG 3.71Å; L148-L150 HydrophobicContact CD1-CD1 3.75Å; L148-L150 HydrophobicContact CG-CD1 4.43Å; L148-L150 PolarHBondContact O-N 2.83Å; L148-L186 HydrophobicContact CD1-CB 4.21Å; L148-L186 HydrophobicContact CD1-CD2 4.02Å; L148-M200 HydrophobicContact CD1-CB 3.78Å; L148-M200 HydrophobicContact CD1-SD 4.11Å; L148-M200 HydrophobicContact CD2-CB 3.78Å; L148-M200 HydrophobicContact CD2-SD 4.3Å; L148-M200 HydrophobicContact CG-CB 4.48Å; L148-V202 HydrophobicContact CD1-CG2 4.32Å; L148-V202 HydrophobicContact CD2-CG2 3.48Å; L148-V202 VanDerWaalsContact CD2-CG2 3.48Å; L148-V202 HydrophobicContact CG-CG2 3.56Å; L148-R223 HydrophobicContact CD2-CG 4.09Å; L148-R223 PolarHBondContact O-NH2 3.17Å
149D91.4Very high94.1Very high87 Ų8750.9 Ų50.947%0.46525%0.252SS..THydrogen-bonded Turntrans48.741.8-171.1-50.6-61.6000111.4K133 K145 R223K133-D149 WeakPolarHBondContact CE-OD1 3.32Å; K133-D149 IonicContact NZ-OD1 2.85Å; K133-D149 PolarHBondContact NZ-OD1 2.75Å; K145-D149 VanDerWaalsContact O-CA 3.27Å; K145-D149 WeakPolarHBondContact O-CA 3.08Å; K145-D149 PolarHBondContact O-N 3.48Å; D149-R223 IonicContact OD2-CZ 3.41Å; D149-R223 IonicContact OD2-NH1 3.6Å; D149-R223 PolarHBondContact OD2-NH1 2.83Å
150L91.9Very high94.1Very high32 Ų3255.1 Ų55.117%0.16827%0.269CS..  trans-92.7144.1177.8-70.2175.2000110.6K145 L148 K154 I155 L186K145-L150 WeakPolarHBondContact CG-O 3.33Å; L148-L150 HydrophobicContact CB-CB 4.45Å; L148-L150 HydrophobicContact CB-CD1 3.79Å; L148-L150 HydrophobicContact CB-CG 3.71Å; L148-L150 HydrophobicContact CD1-CD1 3.75Å; L148-L150 HydrophobicContact CG-CD1 4.43Å; L148-L150 PolarHBondContact O-N 2.83Å; L150-K154 HydrophobicContact CD2-CD 4.15Å; L150-I155 HydrophobicContact CB-CD1 4.39Å; L150-I155 HydrophobicContact CB-CG1 4.23Å; L150-L186 HydrophobicContact CD1-CD2 3.55Å
151A93.7Very high94Very high55 Ų5557.8 Ų57.846%0.45529%0.288SS..  trans-59.4143169.400000110.6N153 K154 I155A151-N153 PolarHBondContact O-N 3.41Å; A151-N153 VanDerWaalsContact O-N 3.17Å; A151-K154 WeakPolarHBondContact O-CB 3.48Å; A151-K154 PolarHBondContact O-N 2.79Å; A151-I155 PolarHBondContact O-N 2.81Å
152R92.6Very high93.9Very high156 Ų15661.2 Ų61.259%0.58931%0.306SS*.Hα-helixtrans-53.3-39.5-179.8-178.3173.4175.4161.7-2.8112.5K154 I155 E156R152-K154 VanDerWaalsContact C-N 3.33Å; R152-K154 PolarHBondContact O-N 2.86Å; R152-I155 WeakPolarHBondContact O-CB 3.35Å; R152-I155 PolarHBondContact O-N 3.03Å; R152-I155 VanDerWaalsContact O-N 3.12Å; R152-E156 HydrophobicContact CG-CG 4.41Å; R152-E156 IonicContact CZ-OE1 3.79Å; R152-E156 IonicContact NE-OE1 2.96Å; R152-E156 PolarHBondContact NE-OE1 2.88Å; R152-E156 IonicContact NH2-OE1 3.71Å; R152-E156 WeakPolarHBondContact O-CG 3.44Å; R152-E156 PolarHBondContact O-N 2.93Å
153N95.3Very high93.8Very high110 Ų11064 Ų6459%0.58832%0.315SS*.Hα-helixtrans-58.7-43179.2-58.3-7.7000111.8A151 I155 E156 D157A151-N153 PolarHBondContact O-N 3.41Å; A151-N153 VanDerWaalsContact O-N 3.17Å; N153-I155 VanDerWaalsContact C-N 3.27Å; N153-I155 PolarHBondContact O-N 2.84Å; N153-E156 PolarHBondContact O-N 3.4Å; N153-D157 VanDerWaalsContact O-CG 3.24Å; N153-D157 PolarHBondContact O-N 2.81Å
154K94.3Very high93.8Very high132 Ų13264 Ų6457%0.57432%0.315SS*.Hα-helixtrans-63.5-34.7178.8-66.1-176.3177.5178.60112.1L150 A151 R152 A158L150-K154 HydrophobicContact CD2-CD 4.15Å; A151-K154 WeakPolarHBondContact O-CB 3.48Å; A151-K154 PolarHBondContact O-N 2.79Å; R152-K154 VanDerWaalsContact C-N 3.33Å; R152-K154 PolarHBondContact O-N 2.86Å; K154-A158 VanDerWaalsContact O-CB 3.24Å; K154-A158 WeakPolarHBondContact O-CB 3.38Å; K154-A158 PolarHBondContact O-N 3.14Å
155I94.4Very high93.7Very high8 Ų865.3 Ų65.34%0.04132%0.32CS..Hα-helixtrans-71.5-41.4177.4-60.5170.2000110.3D141 L144 K145 L150 A151 R152 N153 A158 F159 L164D141-I155 HydrophobicContact CB-CG2 4.19Å; L144-I155 HydrophobicContact CD2-CG2 4.25Å; K145-I155 HydrophobicContact CB-CD1 3.58Å; K145-I155 HydrophobicContact CG-CD1 4.2Å; L150-I155 HydrophobicContact CB-CD1 4.39Å; L150-I155 HydrophobicContact CB-CG1 4.23Å; A151-I155 PolarHBondContact O-N 2.81Å; R152-I155 WeakPolarHBondContact O-CB 3.35Å; R152-I155 PolarHBondContact O-N 3.03Å; R152-I155 VanDerWaalsContact O-N 3.12Å; N153-I155 VanDerWaalsContact C-N 3.27Å; N153-I155 PolarHBondContact O-N 2.84Å; I155-A158 PolarHBondContact O-N 3.38Å; I155-F159 WeakPolarHBondContact O-CB 3.34Å; I155-F159 PolarHBondContact O-N 3.43Å; I155-L164 HydrophobicContact CG2-CD1 4.27Å
156E94.9Very high93.7Very high60 Ų6060 Ų6028%0.2830%0.298SS..Hα-helixtrans-64.3-45.1176.5-68.6-177.1-17800111.1R152 N153 A158 F159 Y160R152-E156 HydrophobicContact CG-CG 4.41Å; R152-E156 IonicContact CZ-OE1 3.79Å; R152-E156 IonicContact NE-OE1 2.96Å; R152-E156 PolarHBondContact NE-OE1 2.88Å; R152-E156 IonicContact NH2-OE1 3.71Å; R152-E156 WeakPolarHBondContact O-CG 3.44Å; R152-E156 PolarHBondContact O-N 2.93Å; N153-E156 PolarHBondContact O-N 3.4Å; E156-A158 VanDerWaalsContact C-N 3.33Å; E156-A158 PolarHBondContact O-N 2.75Å; E156-F159 WeakPolarHBondContact O-CB 3.39Å; E156-F159 PolarHBondContact O-N 2.92Å; E156-F159 VanDerWaalsContact O-N 3.13Å; E156-Y160 HydrophobicContact CB-CE2 4.47Å; E156-Y160 WeakPolarHBondContact O-CD2 3.35Å; E156-Y160 PolarHBondContact O-N 2.95Å
157D95.3Very high93.6Very high107 Ų10761.4 Ų61.457%0.57230%0.303SS*.Hα-helixtrans-61.4-41174.4-66.3-23.3000111.9N153 F159 Y160 S161N153-D157 VanDerWaalsContact O-CG 3.24Å; N153-D157 PolarHBondContact O-N 2.81Å; D157-F159 VanDerWaalsContact C-N 3.3Å; D157-F159 PolarHBondContact O-N 2.93Å; D157-Y160 PolarHBondContact O-N 2.79Å; D157-S161 WeakPolarHBondContact O-CB 2.84Å; D157-S161 PolarHBondContact O-N 2.84Å; D157-S161 PolarHBondContact O-OG 2.86Å
158A94.9Very high93.5Very high8 Ų861.5 Ų61.57%0.06630%0.303CS..Hα-helixtrans-64-35.117500000112.7K154 I155 E156 S161 N162 K163 L164 L186K154-A158 VanDerWaalsContact O-CB 3.24Å; K154-A158 WeakPolarHBondContact O-CB 3.38Å; K154-A158 PolarHBondContact O-N 3.14Å; I155-A158 PolarHBondContact O-N 3.38Å; E156-A158 VanDerWaalsContact C-N 3.33Å; E156-A158 PolarHBondContact O-N 2.75Å; A158-S161 VanDerWaalsContact CA-OG 3.29Å; A158-S161 WeakPolarHBondContact CA-OG 3.35Å; A158-S161 PolarHBondContact O-OG 2.84Å; A158-N162 PolarHBondContact O-N 2.89Å; A158-K163 HydrophobicContact CB-CB 4.38Å; A158-K163 PolarHBondContact O-N 2.86Å; A158-L164 HydrophobicContact CB-CD2 3.97Å; A158-L164 HydrophobicContact CB-CG 4.04Å; A158-L186 HydrophobicContact CB-CD1 3.46Å; A158-L186 VanDerWaalsContact CB-CD1 3.46Å
159F95Very high93.5Very high41 Ų4166.3 Ų66.318%0.1833%0.326CS..Hα-helixtrans-66.2-50.8175.2178.1-105.2000111I155 E156 D157 S161 N162 L164 L171 I172 K174I155-F159 WeakPolarHBondContact O-CB 3.34Å; I155-F159 PolarHBondContact O-N 3.43Å; E156-F159 WeakPolarHBondContact O-CB 3.39Å; E156-F159 PolarHBondContact O-N 2.92Å; E156-F159 VanDerWaalsContact O-N 3.13Å; D157-F159 VanDerWaalsContact C-N 3.3Å; D157-F159 PolarHBondContact O-N 2.93Å; F159-S161 VanDerWaalsContact C-N 3.25Å; F159-S161 PolarHBondContact O-N 2.82Å; F159-N162 PolarHBondContact O-N 3.45Å; F159-L164 HydrophobicContact CB-CD1 3.7Å; F159-L164 HydrophobicContact CD2-CD1 4.23Å; F159-L164 HydrophobicContact CG-CD1 4.47Å; F159-L171 HydrophobicContact CD2-CD2 4.1Å; F159-L171 HydrophobicContact CE2-CD2 4.3Å; F159-L171 HydrophobicContact CE2-CG 4.38Å; F159-I172 WeakPolarHBondContact CZ-O 3.14Å; F159-K174 HydrophobicContact CD2-CB 4.29Å; F159-K174 HydrophobicContact CE2-CB 4.21Å; F159-K174 HydrophobicContact CZ-CB 4.39Å
160Y94.3Very high93.5Very high161 Ų16168.5 Ų68.563%0.63133%0.331SS*.Hα-helixtrans-65.7-28.9179-67.7-63.1000113E156 D157 N162E156-Y160 HydrophobicContact CB-CE2 4.47Å; E156-Y160 WeakPolarHBondContact O-CD2 3.35Å; E156-Y160 PolarHBondContact O-N 2.95Å; D157-Y160 PolarHBondContact O-N 2.79Å; Y160-N162 VanDerWaalsContact C-N 3.27Å; Y160-N162 PolarHBondContact O-N 2.81Å
161S93.5Very high93.6Very high56 Ų5667.5 Ų67.539%0.39233%0.326SS..THydrogen-bonded Turntrans-83.45.8173.457.40000114.4D157 A158 F159 K163D157-S161 WeakPolarHBondContact O-CB 2.84Å; D157-S161 PolarHBondContact O-N 2.84Å; D157-S161 PolarHBondContact O-OG 2.86Å; A158-S161 VanDerWaalsContact CA-OG 3.29Å; A158-S161 WeakPolarHBondContact CA-OG 3.35Å; A158-S161 PolarHBondContact O-OG 2.84Å; F159-S161 VanDerWaalsContact C-N 3.25Å; F159-S161 PolarHBondContact O-N 2.82Å; S161-K163 PolarHBondContact O-N 3.25Å; S161-K163 WeakPolarHBondContact OG-CD 3.38Å; S161-K163 WeakPolarHBondContact OG-CG 3.46Å
162N92.8Very high93.5Very high98 Ų9872.5 Ų72.552%0.52434%0.343SS..THydrogen-bonded Turntrans57.228.7179.5-60.4-63.3000114.7A158 F159 Y160A158-N162 PolarHBondContact O-N 2.89Å; F159-N162 PolarHBondContact O-N 3.45Å; Y160-N162 VanDerWaalsContact C-N 3.27Å; Y160-N162 PolarHBondContact O-N 2.81Å
163K93.4Very high93.6Very high90 Ų9071.5 Ų71.539%0.39134%0.343SS..  trans-87.1-12.7-179.9-65.9-179.3-178.1-172.80113.4A158 S161 L186 V187A158-K163 HydrophobicContact CB-CB 4.38Å; A158-K163 PolarHBondContact O-N 2.86Å; S161-K163 PolarHBondContact O-N 3.25Å; S161-K163 WeakPolarHBondContact OG-CD 3.38Å; S161-K163 WeakPolarHBondContact OG-CG 3.46Å; K163-L186 HydrophobicContact CB-CD1 4.26Å; K163-V187 HydrophobicContact CB-CB 4.21Å; K163-V187 WeakPolarHBondContact O-CG2 2.89Å; K163-V187 PolarHBondContact O-N 2.97Å
164L94.3Very high93.4Very high5 Ų570.1 Ų70.13%0.02633%0.332CS..EExtended strand (participates in β ladder)trans-85130.9178.8-61.9179.4000111.5Y140 L144 I155 A158 F159 L171 L186Y140-L164 HydrophobicContact CE1-CB 4.15Å; Y140-L164 HydrophobicContact CE1-CD1 4.01Å; Y140-L164 HydrophobicContact CE1-CD2 4.24Å; Y140-L164 HydrophobicContact CE1-CG 4.37Å; L144-L164 HydrophobicContact CD2-CD2 3.47Å; L144-L164 VanDerWaalsContact CD2-CD2 3.47Å; I155-L164 HydrophobicContact CG2-CD1 4.27Å; A158-L164 HydrophobicContact CB-CD2 3.97Å; A158-L164 HydrophobicContact CB-CG 4.04Å; F159-L164 HydrophobicContact CB-CD1 3.7Å; F159-L164 HydrophobicContact CD2-CD1 4.23Å; F159-L164 HydrophobicContact CG-CD1 4.47Å; L164-L171 HydrophobicContact CB-CB 4.13Å; L164-L171 HydrophobicContact CB-CD2 4.16Å; L164-L171 HydrophobicContact CD1-CD2 4.14Å; L164-L171 PolarHBondContact O-N 3.37Å; L164-L186 HydrophobicContact CD2-CB 4.28Å; L164-L186 HydrophobicContact CD2-CD1 3.62Å
165R93.4Very high93.3Very high28 Ų2865.6 Ų65.611%0.10632%0.317CS..EExtended strand (participates in β ladder)trans-129.9137.4178.9-53.2-63.9173.4118.97.2111Y140 Q169 D185 V187 F235Y140-R165 PolarHBondContact OH-O 2.86Å; R165-Q169 CarbonylContact C-O 3.55Å; R165-Q169 WeakPolarHBondContact CA-O 3.48Å; R165-D185 HydrophobicContact CB-CB 4.16Å; R165-D185 PolarHBondContact N-O 3.49Å; R165-D185 PolarHBondContact O-N 2.89Å; R165-V187 HydrophobicContact CG-CG2 4.3Å; R165-F235 HydrophobicContact CG-CE1 4.36Å
166L94.1Very high93.3Very high5 Ų569.4 Ų69.43%0.02633%0.333CS..EExtended strand (participates in β ladder)trans-115.5120.7174-175.3160000107.9Y140 G168 Q169 L171 K176 T183Y140-L166 HydrophobicContact CD2-CB 4.39Å; Y140-L166 HydrophobicContact CD2-CD1 3.77Å; Y140-L166 HydrophobicContact CD2-CG 4.38Å; Y140-L166 HydrophobicContact CE2-CB 3.89Å; Y140-L166 HydrophobicContact CE2-CD1 4.11Å; Y140-L166 HydrophobicContact CE2-CG 4.23Å; L166-G168 PolarHBondContact O-N 2.77Å; L166-G168 VanDerWaalsContact O-N 3.14Å; L166-Q169 PolarHBondContact N-O 2.83Å; L166-Q169 WeakPolarHBondContact O-CB 3.18Å; L166-Q169 PolarHBondContact O-N 2.93Å; L166-L171 HydrophobicContact CB-CD1 4.26Å; L166-L171 HydrophobicContact CD1-CD1 4.26Å; L166-K176 HydrophobicContact CD1-CD 3.81Å; L166-K176 HydrophobicContact CD1-CG 4.19Å; L166-T183 WeakPolarHBondContact CA-O 3.45Å
167N92.4Very high93.3Very high46 Ų4671.4 Ų71.425%0.24635%0.35CS..THydrogen-bonded Turntrans52.831.9-176.4-60.5-23.8000113Q169 D182 T183 K236N167-Q169 VanDerWaalsContact C-N 3.31Å; N167-Q169 PolarHBondContact O-N 2.83Å; N167-D182 PolarHBondContact ND2-OD1 2.84Å; N167-T183 VanDerWaalsContact CA-OG1 3.3Å; N167-T183 WeakPolarHBondContact CA-OG1 3.12Å; N167-T183 PolarHBondContact N-O 3.49Å; N167-T183 PolarHBondContact OD1-N 2.86Å; N167-T183 PolarHBondContact OD1-OG1 2.93Å; N167-K236 WeakPolarHBondContact O-CD 3.48Å
168G89.4Confident93.3Very high3 Ų366.6 Ų66.63%0.03132%0.324CS..THydrogen-bonded Turntrans84-9.8-175.400000115.5L166 K236L166-G168 PolarHBondContact O-N 2.77Å; L166-G168 VanDerWaalsContact O-N 3.14Å; G168-K236 PolarHBondContact O-N 2.88Å
169Q92Very high93.3Very high105 Ų10573.7 Ų73.749%0.49135%0.353SS..EExtended strand (participates in β ladder)trans-90.4150.7179.2-64.5179.3-8.200112.1R165 L166 N167 L171R165-Q169 CarbonylContact C-O 3.55Å; R165-Q169 WeakPolarHBondContact CA-O 3.48Å; L166-Q169 PolarHBondContact N-O 2.83Å; L166-Q169 WeakPolarHBondContact O-CB 3.18Å; L166-Q169 PolarHBondContact O-N 2.93Å; N167-Q169 VanDerWaalsContact C-N 3.31Å; N167-Q169 PolarHBondContact O-N 2.83Å; Q169-L171 PolarHBondContact O-N 2.84Å
170K92.6Very high93.2Very high132 Ų13275.3 Ų75.357%0.57437%0.367SS*.EExtended strand (participates in β ladder)trans-61.8131.6174.6-70.6-178.8-179.3176.50111.2I172K170-I172 PolarHBondContact O-N 2.93Å
171L93.1Very high93.1Very high11 Ų1170 Ų706%0.05836%0.361CS..  trans-77110.5175.8-170.272000110.5Y140 F159 L164 L166 Q169 K173 K176Y140-L171 HydrophobicContact CD1-CD2 3.37Å; Y140-L171 HydrophobicContact CD2-CD1 4.22Å; Y140-L171 HydrophobicContact CD2-CD2 4.41Å; Y140-L171 HydrophobicContact CE1-CD2 3.55Å; Y140-L171 HydrophobicContact CE2-CD1 4.45Å; Y140-L171 HydrophobicContact CE2-CD2 4.5Å; Y140-L171 HydrophobicContact CG-CD1 4.24Å; Y140-L171 HydrophobicContact CG-CD2 3.85Å; F159-L171 HydrophobicContact CD2-CD2 4.1Å; F159-L171 HydrophobicContact CE2-CD2 4.3Å; F159-L171 HydrophobicContact CE2-CG 4.38Å; L164-L171 HydrophobicContact CB-CB 4.13Å; L164-L171 HydrophobicContact CB-CD2 4.16Å; L164-L171 HydrophobicContact CD1-CD2 4.14Å; L164-L171 PolarHBondContact O-N 3.37Å; L166-L171 HydrophobicContact CB-CD1 4.26Å; L166-L171 HydrophobicContact CD1-CD1 4.26Å; Q169-L171 PolarHBondContact O-N 2.84Å; L171-K173 WeakPolarHBondContact CD1-O 3.45Å; L171-K176 HydrophobicContact CD1-CB 4.23Å; L171-K176 HydrophobicContact CD1-CD 4.43Å
172I91.3Very high93.1Very high160 Ų16068.8 Ų68.882%0.82135%0.35SS*.SBendtrans-79.9-36177.4-58.2167.4000111.3F159 K170F159-I172 WeakPolarHBondContact CZ-O 3.14Å; K170-I172 PolarHBondContact O-N 2.93Å
173K93.9Very high93.2Very high136 Ų13665.6 Ų65.659%0.59133%0.334SS*.  trans-128.8121-173.8-172.9174.4-178.4-179.70110.2L171 S175 K176L171-K173 WeakPolarHBondContact CD1-O 3.45Å; K173-S175 WeakPolarHBondContact CE-OG 3.41Å; K173-S175 PolarHBondContact O-N 3.32Å; K173-K176 PolarHBondContact O-N 2.71Å
174K92.1Very high93.2Very high81 Ų8161.3 Ų61.335%0.35232%0.315SS..THydrogen-bonded Turntrans-56.3-32177.461.2176.2178.9-1750114.3F159 K176F159-K174 HydrophobicContact CD2-CB 4.29Å; F159-K174 HydrophobicContact CE2-CB 4.21Å; F159-K174 HydrophobicContact CZ-CB 4.39Å; K174-K176 VanDerWaalsContact C-N 3.3Å; K174-K176 PolarHBondContact O-N 3.37Å
175S92.6Very high93.2Very high36 Ų3661.2 Ų61.225%0.25232%0.315SS..THydrogen-bonded Turntrans-9525-174.481.90000113.9R139 K173 T177R139-S175 VanDerWaalsContact NE-CB 3.33Å; K173-S175 WeakPolarHBondContact CE-OG 3.41Å; K173-S175 PolarHBondContact O-N 3.32Å; S175-T177 PolarHBondContact O-N 2.83Å
176K95.1Very high93.2Very high88 Ų8860.8 Ų60.838%0.38331%0.314SS..PPolyproline II helixtrans-66.8132174.2-174.3164167.8-1720108.7Y140 L166 L171 K173 K174Y140-K176 WeakPolarHBondContact CB-O 3.41Å; Y140-K176 PolarHBondContact N-O 2.74Å; L166-K176 HydrophobicContact CD1-CD 3.81Å; L166-K176 HydrophobicContact CD1-CG 4.19Å; L171-K176 HydrophobicContact CD1-CB 4.23Å; L171-K176 HydrophobicContact CD1-CD 4.43Å; K173-K176 PolarHBondContact O-N 2.71Å; K174-K176 VanDerWaalsContact C-N 3.3Å; K174-K176 PolarHBondContact O-N 3.37Å
177T95Very high93.2Very high103 Ų10360.8 Ų60.863%0.63232%0.315SS*.BIsolated β-bridgetrans-72.3132.6174.3-48.60000109F138 S175F138-T177 HydrophobicContact CB-CG2 4.24Å; F138-T177 WeakPolarHBondContact O-CA 3.36Å; S175-T177 PolarHBondContact O-N 2.83Å
178V94.6Very high93.1Very high5 Ų562 Ų623%0.0332%0.323CS..PPolyproline II helixtrans-99.2141.3-179.8174.90000108.5F138 Y140 D182 L184 P204F138-V178 PolarHBondContact O-N 2.83Å; Y140-V178 HydrophobicContact CD2-CG2 3.91Å; Y140-V178 HydrophobicContact CG-CG2 4.34Å; V178-D182 HydrophobicContact CG1-CB 3.92Å; V178-L184 HydrophobicContact CG1-CD1 3.78Å; V178-L184 HydrophobicContact CG1-CG 4.49Å; V178-L184 HydrophobicContact CG2-CD2 4.13Å; V178-P204 HydrophobicContact CG1-CG 3.88Å
179K94.2Very high93Very high157 Ų15764.1 Ų64.168%0.68334%0.338SS*.  trans-104.1159.4172.4-63.9-176.6-179.9-176.90110.3G181 D182 P204K179-G181 PolarHBondContact O-N 3.21Å; K179-D182 PolarHBondContact N-OD2 3.26Å; K179-D182 WeakPolarHBondContact O-CB 3.36Å; K179-D182 PolarHBondContact O-N 2.84Å; K179-D182 VanDerWaalsContact O-N 3.14Å; K179-P204 WeakPolarHBondContact O-CG 3.39Å
180V93.1Very high92.8Very high76 Ų7663.8 Ų63.846%0.46134%0.336SS..THydrogen-bonded Turntrans-56.6130.9168.8176.90000109.2R205 V207V180-R205 VanDerWaalsContact CG1-C 3.43Å; V180-R205 WeakPolarHBondContact CG1-O 3.27Å; V180-V207 HydrophobicContact CG2-CG2 3.88Å
181G92.2Very high92.6Very high49 Ų4960.7 Ų60.751%0.50533%0.326SS..THydrogen-bonded Turntrans88.9-5.8-176.800000115.6K179 P204K179-G181 PolarHBondContact O-N 3.21Å; G181-P204 PolarHBondContact N-O 2.82Å
182D94.2Very high92Very high30 Ų3068.3 Ų68.316%0.1636%0.359CS..  trans-68.7144.1172.4-79.3-28.8000111N167 V178 K179 L184 P204N167-D182 PolarHBondContact ND2-OD1 2.84Å; V178-D182 HydrophobicContact CG1-CB 3.92Å; K179-D182 PolarHBondContact N-OD2 3.26Å; K179-D182 WeakPolarHBondContact O-CB 3.36Å; K179-D182 PolarHBondContact O-N 2.84Å; K179-D182 VanDerWaalsContact O-N 3.14Å; D182-L184 HydrophobicContact CB-CD1 4.47Å; D182-P204 WeakPolarHBondContact O-CD 3.38Å
183T93.4Very high91.3Very high32 Ų3270 Ų7020%0.19636%0.363CS..  trans-96.7118.617473.80000110.4L166 N167 I203L166-T183 WeakPolarHBondContact CA-O 3.45Å; N167-T183 VanDerWaalsContact CA-OG1 3.3Å; N167-T183 WeakPolarHBondContact CA-OG1 3.12Å; N167-T183 PolarHBondContact N-O 3.49Å; N167-T183 PolarHBondContact OD1-N 2.86Å; N167-T183 PolarHBondContact OD1-OG1 2.93Å; T183-I203 HydrophobicContact CG2-CD1 4.05Å; T183-I203 HydrophobicContact CG2-CG1 4.14Å
184L94.8Very high90.4Very high0 Ų066.6 Ų66.60%036%0.361CS..EExtended strand (participates in β ladder)trans-104.4117.5175.2-59.975.6000108.1Y140 V143 L144 V178 D182 R201 V202 P204Y140-L184 HydrophobicContact CD2-CB 4.49Å; Y140-L184 HydrophobicContact CD2-CD2 3.62Å; Y140-L184 HydrophobicContact CD2-CG 3.79Å; Y140-L184 HydrophobicContact CE2-CB 3.73Å; Y140-L184 HydrophobicContact CE2-CD2 3.69Å; Y140-L184 HydrophobicContact CE2-CG 3.48Å; Y140-L184 VanDerWaalsContact CE2-CG 3.48Å; Y140-L184 HydrophobicContact CG-CD2 4.17Å; V143-L184 HydrophobicContact CB-CD2 4.16Å; V143-L184 HydrophobicContact CG1-CD2 3.95Å; L144-L184 HydrophobicContact CB-CD2 4.37Å; L144-L184 HydrophobicContact CD1-CB 4.21Å; V178-L184 HydrophobicContact CG1-CD1 3.78Å; V178-L184 HydrophobicContact CG1-CG 4.49Å; V178-L184 HydrophobicContact CG2-CD2 4.13Å; D182-L184 HydrophobicContact CB-CD1 4.47Å; L184-R201 CarbonylContact O-C 3.47Å; L184-R201 WeakPolarHBondContact O-CA 3.44Å; L184-V202 HydrophobicContact CB-CB 4.28Å; L184-V202 WeakPolarHBondContact CD1-O 3.43Å; L184-V202 PolarHBondContact N-O 3.41Å; L184-V202 PolarHBondContact O-N 2.65Å; L184-P204 HydrophobicContact CD1-CG 4.41Å
185D93.4Very high90Very high2 Ų267.3 Ų67.31%0.01137%0.369CS..EExtended strand (participates in β ladder)trans-117.8138.2-176.6-66.1-24.5000110.5Y140 R165 M200 R201Y140-D185 PolarHBondContact OH-O 3.48Å; R165-D185 HydrophobicContact CB-CB 4.16Å; R165-D185 PolarHBondContact N-O 3.49Å; R165-D185 PolarHBondContact O-N 2.89Å; D185-M200 CarbonylContact C-O 3.56Å; D185-M200 WeakPolarHBondContact CA-O 3.15Å; D185-R201 VanDerWaalsContact OD1-CB 3.27Å; D185-R201 WeakPolarHBondContact OD1-CB 3.22Å; D185-R201 WeakPolarHBondContact OD1-CG 3.47Å; D185-R201 IonicContact OD1-CZ 3.48Å; D185-R201 IonicContact OD1-NE 3.15Å; D185-R201 PolarHBondContact OD1-NE 2.97Å; D185-R201 IonicContact OD1-NH2 3.6Å; D185-R201 IonicContact OD2-CZ 2.82Å; D185-R201 IonicContact OD2-NE 3.74Å; D185-R201 PolarHBondContact OD2-NE 2.87Å; D185-R201 IonicContact OD2-NH2 2.75Å; D185-R201 PolarHBondContact OD2-NH2 3.29Å
186L93.9Very high89.7Confident19 Ų1967.4 Ų67.410%0.09937%0.368CS..EExtended strand (participates in β ladder)trans-115.3116.9168.7170.366000108.4L148 L150 A158 K163 L164 V188 L199 M200L148-L186 HydrophobicContact CD1-CB 4.21Å; L148-L186 HydrophobicContact CD1-CD2 4.02Å; L150-L186 HydrophobicContact CD1-CD2 3.55Å; A158-L186 HydrophobicContact CB-CD1 3.46Å; A158-L186 VanDerWaalsContact CB-CD1 3.46Å; K163-L186 HydrophobicContact CB-CD1 4.26Å; L164-L186 HydrophobicContact CD2-CB 4.28Å; L164-L186 HydrophobicContact CD2-CD1 3.62Å; L186-V188 PolarHBondContact O-N 2.87Å; L186-L199 CarbonylContact O-C 3.57Å; L186-L199 WeakPolarHBondContact O-CA 3.29Å; L186-M200 HydrophobicContact CB-CB 4.3Å; L186-M200 HydrophobicContact CD2-SD 4.24Å; L186-M200 PolarHBondContact N-O 3.47Å; L186-M200 PolarHBondContact O-N 2.92Å
187V93.2Very high89.4Confident5 Ų563.2 Ų63.23%0.0335%0.35CS..EExtended strand (participates in β ladder)trans-75.4116.7175-179.40000109.3K163 R165 E190 V197 L199 F235K163-V187 HydrophobicContact CB-CB 4.21Å; K163-V187 WeakPolarHBondContact O-CG2 2.89Å; K163-V187 PolarHBondContact O-N 2.97Å; R165-V187 HydrophobicContact CG-CG2 4.3Å; V187-E190 HydrophobicContact CG1-CG 3.73Å; V187-V197 HydrophobicContact CG1-CG1 3.76Å; V187-V197 HydrophobicContact CG2-CG1 4.47Å; V187-L199 HydrophobicContact CB-CD2 4.47Å; V187-L199 HydrophobicContact CG2-CD2 3.81Å; V187-F235 HydrophobicContact CG2-CE1 4.02Å; V187-F235 HydrophobicContact CG2-CZ 4.28Å
188V91.2Very high89.2Confident71 Ų7159.2 Ų59.243%0.4333%0.325SS..EExtended strand (participates in β ladder)trans-86.8-53177.4-179.50000109.6L186 T198 M200L186-V188 PolarHBondContact O-N 2.87Å; V188-T198 PolarHBondContact N-O 2.94Å; V188-M200 HydrophobicContact CG2-CE 4.09Å; V188-M200 HydrophobicContact CG2-CG 3.64Å; V188-M200 HydrophobicContact CG2-SD 4.33Å
189S87.2Confident89.1Confident49 Ų4959 Ų5934%0.34332%0.324SS..EExtended strand (participates in β ladder)trans-148.1141.9-176.745.50000111.2T198S189-T198 PolarHBondContact N-O 2.85Å; S189-T198 PolarHBondContact O-N 2.72Å; S189-T198 WeakPolarHBondContact OG-CB 3.24Å; S189-T198 PolarHBondContact OG-OG1 3.26Å
190E87.6Confident89.1Confident97 Ų9753.6 Ų53.645%0.45330%0.301SS..EExtended strand (participates in β ladder)trans-111.6116.7174.7-65.5178.1-170.400108.8V187 K192 V197V187-E190 HydrophobicContact CG1-CG 3.73Å; E190-K192 PolarHBondContact O-N 3.26Å; E190-V197 HydrophobicContact CG-CG1 4.11Å; E190-V197 HydrophobicContact CG-CG2 4.48Å
191N87.9Confident89.1Confident68 Ų6851.6 Ų51.636%0.36429%0.285SS..  trans-85.9108.1173.3-64.6-46.5000108.2E193 A194 N195 T196 K231N191-E193 VanDerWaalsContact C-N 3.28Å; N191-E193 PolarHBondContact O-N 3.36Å; N191-A194 HydrophobicContact CB-CB 4.42Å; N191-N195 PolarHBondContact O-N 3.24Å; N191-T196 WeakPolarHBondContact CB-O 3.49Å; N191-T196 PolarHBondContact N-O 3.24Å; N191-T196 PolarHBondContact ND2-OG1 3.46Å; N191-K231 WeakPolarHBondContact O-CE 3.49Å; N191-K231 PolarHBondContact O-NZ 2.93Å; N191-K231 VanDerWaalsContact O-NZ 3.07Å
192K81.1Confident89.2Confident170 Ų17049.2 Ų49.274%0.73926%0.261SS*.THydrogen-bonded Turntrans-66.7-34177.8-69.5-176.2-177.8178.10111.9E190 N195E190-K192 PolarHBondContact O-N 3.26Å; K192-N195 PolarHBondContact O-OD1 3.42Å
193E77.3Confident89.2Confident195 Ų19549.4 Ų49.491%0.91126%0.262SS*.THydrogen-bonded Turntrans-76.6-47.1-173.4-62.1173.1-170.400112.7N191N191-E193 VanDerWaalsContact C-N 3.28Å; N191-E193 PolarHBondContact O-N 3.36Å
194A75.1Confident89.3Confident66 Ų6648 Ų4855%0.54525%0.253SS..THydrogen-bonded Turntrans-88.6-2-178.200000114.1N191 T196N191-A194 HydrophobicContact CB-CB 4.42Å; A194-T196 HydrophobicContact CB-CG2 4.28Å; A194-T196 PolarHBondContact O-N 2.98Å; A194-T196 VanDerWaalsContact O-N 3.07Å
195N82.3Confident89.2Confident96 Ų9650.4 Ų50.451%0.51326%0.262SS..  trans52.425.2-170.4-68.4-42.5000115N191 K192 K231N191-N195 PolarHBondContact O-N 3.24Å; K192-N195 PolarHBondContact O-OD1 3.42Å; N195-K231 HydrophobicContact CB-CD 4.24Å; N195-K231 WeakPolarHBondContact O-CG 3.35Å; N195-K231 PolarHBondContact O-N 2.69Å; N195-K231 PolarHBondContact OD1-NZ 3.36Å
196T86.9Confident89.1Confident38 Ų3855.1 Ų55.123%0.23328%0.283CS..EExtended strand (participates in β ladder)trans-101.3151.3174.855.30000111N191 A194 L229N191-T196 WeakPolarHBondContact CB-O 3.49Å; N191-T196 PolarHBondContact N-O 3.24Å; N191-T196 PolarHBondContact ND2-OG1 3.46Å; A194-T196 HydrophobicContact CB-CG2 4.28Å; A194-T196 PolarHBondContact O-N 2.98Å; A194-T196 VanDerWaalsContact O-N 3.07Å; T196-L229 CarbonylContact C-O 3.56Å; T196-L229 WeakPolarHBondContact CA-O 3.49Å
197V89.4Confident88.9Confident0 Ų057.2 Ų57.20%030%0.296CS..EExtended strand (participates in β ladder)trans-127.1129.1175.5-171.80000107.8V187 E190 L199 E228 L229 K231 F235V187-V197 HydrophobicContact CG1-CG1 3.76Å; V187-V197 HydrophobicContact CG2-CG1 4.47Å; E190-V197 HydrophobicContact CG-CG1 4.11Å; E190-V197 HydrophobicContact CG-CG2 4.48Å; V197-L199 HydrophobicContact CB-CD2 4.18Å; V197-L199 HydrophobicContact CB-CG 4.43Å; V197-L199 HydrophobicContact CG1-CD2 3.42Å; V197-L199 VanDerWaalsContact CG1-CD2 3.42Å; V197-L199 HydrophobicContact CG1-CG 4.05Å; V197-E228 WeakPolarHBondContact O-CA 3.48Å; V197-L229 PolarHBondContact N-O 3.1Å; V197-L229 PolarHBondContact O-N 2.96Å; V197-K231 HydrophobicContact CG2-CB 4.36Å; V197-K231 HydrophobicContact CG2-CG 3.43Å; V197-K231 VanDerWaalsContact CG2-CG 3.43Å; V197-F235 HydrophobicContact CG1-CZ 4.22Å; V197-F235 HydrophobicContact CG2-CE2 3.8Å; V197-F235 HydrophobicContact CG2-CZ 4.06Å
198T90.6Very high88.6Confident18 Ų1861.1 Ų61.111%0.1132%0.317CS..EExtended strand (participates in β ladder)trans-91.9122.6171.9-43.90000108.6V188 S189 V226 L227 E228V188-T198 PolarHBondContact N-O 2.94Å; S189-T198 PolarHBondContact N-O 2.85Å; S189-T198 PolarHBondContact O-N 2.72Å; S189-T198 WeakPolarHBondContact OG-CB 3.24Å; S189-T198 PolarHBondContact OG-OG1 3.26Å; T198-V226 HydrophobicContact CG2-CG1 4.07Å; T198-L227 CarbonylContact C-O 3.59Å; T198-L227 WeakPolarHBondContact CA-O 3.36Å; T198-E228 HydrophobicContact CG2-CG 4.41Å
199L92.3Very high88.3Confident2 Ų259.3 Ų59.31%0.0131%0.312CS..EExtended strand (participates in β ladder)trans-124.5150.7-171.9-47.8160.3000109.4L186 V187 V197 L227 L229 A234L186-L199 CarbonylContact O-C 3.57Å; L186-L199 WeakPolarHBondContact O-CA 3.29Å; V187-L199 HydrophobicContact CB-CD2 4.47Å; V187-L199 HydrophobicContact CG2-CD2 3.81Å; V197-L199 HydrophobicContact CB-CD2 4.18Å; V197-L199 HydrophobicContact CB-CG 4.43Å; V197-L199 HydrophobicContact CG1-CD2 3.42Å; V197-L199 VanDerWaalsContact CG1-CD2 3.42Å; V197-L199 HydrophobicContact CG1-CG 4.05Å; L199-L227 PolarHBondContact N-O 3.04Å; L199-L227 PolarHBondContact O-N 2.79Å; L199-L229 HydrophobicContact CD1-CB 3.94Å; L199-L229 HydrophobicContact CD1-CD1 3.52Å; L199-L229 HydrophobicContact CD1-CG 3.81Å; L199-A234 HydrophobicContact CD1-CB 4Å
200M93.3Very high88.3Confident43 Ų4363.2 Ų63.221%0.21233%0.325CS..EExtended strand (participates in β ladder)trans-102.7128.4156.1-51-168.9159.300107.9L148 D185 L186 V188 W224 K225L148-M200 HydrophobicContact CD1-CB 3.78Å; L148-M200 HydrophobicContact CD1-SD 4.11Å; L148-M200 HydrophobicContact CD2-CB 3.78Å; L148-M200 HydrophobicContact CD2-SD 4.3Å; L148-M200 HydrophobicContact CG-CB 4.48Å; D185-M200 CarbonylContact C-O 3.56Å; D185-M200 WeakPolarHBondContact CA-O 3.15Å; L186-M200 HydrophobicContact CB-CB 4.3Å; L186-M200 HydrophobicContact CD2-SD 4.24Å; L186-M200 PolarHBondContact N-O 3.47Å; L186-M200 PolarHBondContact O-N 2.92Å; V188-M200 HydrophobicContact CG2-CE 4.09Å; V188-M200 HydrophobicContact CG2-CG 3.64Å; V188-M200 HydrophobicContact CG2-SD 4.33Å; M200-W224 WeakPolarHBondContact CA-O 3.36Å; M200-K225 WeakPolarHBondContact CE-O 3.47Å; M200-K225 WeakPolarHBondContact CG-O 3.33Å
201R93.6Very high88.1Confident33 Ų3359.5 Ų59.513%0.12531%0.309CS..EExtended strand (participates in β ladder)trans-116.5139.4-177.5176.1167.1-70.5170.5-0.9110.8L184 D185 I203 R223 W224 L227L184-R201 CarbonylContact O-C 3.47Å; L184-R201 WeakPolarHBondContact O-CA 3.44Å; D185-R201 VanDerWaalsContact OD1-CB 3.27Å; D185-R201 WeakPolarHBondContact OD1-CB 3.22Å; D185-R201 WeakPolarHBondContact OD1-CG 3.47Å; D185-R201 IonicContact OD1-CZ 3.48Å; D185-R201 IonicContact OD1-NE 3.15Å; D185-R201 PolarHBondContact OD1-NE 2.97Å; D185-R201 IonicContact OD1-NH2 3.6Å; D185-R201 IonicContact OD2-CZ 2.82Å; D185-R201 IonicContact OD2-NE 3.74Å; D185-R201 PolarHBondContact OD2-NE 2.87Å; D185-R201 IonicContact OD2-NH2 2.75Å; D185-R201 PolarHBondContact OD2-NH2 3.29Å; R201-I203 HydrophobicContact CG-CD1 4.42Å; R201-I203 HydrophobicContact CG-CG1 4.05Å; R201-R223 WeakPolarHBondContact O-CA 3.15Å; R201-W224 HydrophobicContact CB-CB 4.21Å; R201-W224 HydrophobicContact CB-CD2 4.41Å; R201-W224 HydrophobicContact CB-CE3 3.89Å; R201-W224 HydrophobicContact CG-CE3 3.73Å; R201-W224 HydrophobicContact CG-CZ3 4.02Å; R201-W224 PolarHBondContact N-O 3.47Å; R201-W224 PolarHBondContact O-N 3.31Å; R201-L227 HydrophobicContact CB-CD2 4.09Å
202V94.6Very high87.5Confident0 Ų064.6 Ų64.60%034%0.337CS..EExtended strand (participates in β ladder)trans-130.5130174.4-179.40000108.6L144 L148 L184 I221 R222L144-V202 HydrophobicContact CD1-CB 4.45Å; L144-V202 HydrophobicContact CD1-CG2 4.06Å; L148-V202 HydrophobicContact CD1-CG2 4.32Å; L148-V202 HydrophobicContact CD2-CG2 3.48Å; L148-V202 VanDerWaalsContact CD2-CG2 3.48Å; L148-V202 HydrophobicContact CG-CG2 3.56Å; L184-V202 HydrophobicContact CB-CB 4.28Å; L184-V202 WeakPolarHBondContact CD1-O 3.43Å; L184-V202 PolarHBondContact N-O 3.41Å; L184-V202 PolarHBondContact O-N 2.65Å; V202-I221 HydrophobicContact CG1-CG2 3.25Å; V202-R222 CarbonylContact C-O 3.56Å; V202-R222 WeakPolarHBondContact CA-O 3.21Å
203I94.4Very high87.3Confident33 Ų3363.1 Ų63.117%0.16934%0.337CS..EExtended strand (participates in β ladder)trans-128.2114.2175.9-55.9178.2000108.5T183 R201 R205 R222 W224T183-I203 HydrophobicContact CG2-CD1 4.05Å; T183-I203 HydrophobicContact CG2-CG1 4.14Å; R201-I203 HydrophobicContact CG-CD1 4.42Å; R201-I203 HydrophobicContact CG-CG1 4.05Å; I203-R205 PolarHBondContact O-N 2.84Å; I203-R222 HydrophobicContact CB-CB 4.41Å; I203-R222 PolarHBondContact N-O 3.2Å; I203-R222 PolarHBondContact O-N 2.8Å; I203-W224 HydrophobicContact CB-CZ3 4.48Å; I203-W224 HydrophobicContact CD1-CH2 3.8Å; I203-W224 HydrophobicContact CD1-CZ3 3.58Å; I203-W224 HydrophobicContact CG1-CZ3 3.87Å
204P94.3Very high87.2Confident3 Ų355.7 Ų55.72%0.01931%0.313CS..EExtended strand (participates in β ladder)trans-71.9123.8170.229-28.1000109.5V178 K179 G181 D182 L184 V219V178-P204 HydrophobicContact CG1-CG 3.88Å; K179-P204 WeakPolarHBondContact O-CG 3.39Å; G181-P204 PolarHBondContact N-O 2.82Å; D182-P204 WeakPolarHBondContact O-CD 3.38Å; L184-P204 HydrophobicContact CD1-CG 4.41Å; P204-V219 HydrophobicContact CB-CG1 4.15Å
205R92.4Very high87.8Confident50 Ų5058.6 Ų58.619%0.18932%0.319CS..EExtended strand (participates in β ladder)trans-97.8-48.7-174.4-86.8-167156.9-121.2-10.6114.3E118 E120 V180 I203 S220E118-R205 IonicContact OE2-NH1 2.71Å; E120-R205 IonicContact OE1-CZ 3.85Å; E120-R205 IonicContact OE1-NH2 2.65Å; E120-R205 PolarHBondContact OE1-NH2 2.82Å; E120-R205 IonicContact OE2-NH2 2.88Å; E120-R205 PolarHBondContact OE2-NH2 3.39Å; V180-R205 VanDerWaalsContact CG1-C 3.43Å; V180-R205 WeakPolarHBondContact CG1-O 3.27Å; I203-R205 PolarHBondContact O-N 2.84Å; R205-S220 PolarHBondContact N-O 3.19Å
206K92.1Very high88.2Confident101 Ų10158.1 Ų58.144%0.43931%0.312SS..EExtended strand (participates in β ladder)trans-148.3143.8-177.4-57.9177.9-178.2170.70109.6S220K206-S220 WeakPolarHBondContact CA-OG 3.46Å; K206-S220 WeakPolarHBondContact CB-OG 3.5Å; K206-S220 PolarHBondContact N-OG 3Å; K206-S220 PolarHBondContact O-N 3.01Å; K206-S220 PolarHBondContact O-OG 3.43Å
207V90.9Very high88.5Confident64 Ų6460.1 Ų60.139%0.38832%0.316SS..EExtended strand (participates in β ladder)trans-95.8117.6169.1-176.60000106.9F138 V180 V219F138-V207 HydrophobicContact CE1-CG2 3.6Å; F138-V207 HydrophobicContact CZ-CB 4.41Å; F138-V207 HydrophobicContact CZ-CG1 3.92Å; F138-V207 HydrophobicContact CZ-CG2 3.55Å; V180-V207 HydrophobicContact CG2-CG2 3.88Å; V207-V219 HydrophobicContact CG2-CG2 4.48Å
208L86.1Confident88.7Confident87 Ų8762.9 Ų62.946%0.45533%0.328SS..EExtended strand (participates in β ladder)trans-87.2-23.6-172.5-63173000112.3E132 K218E132-L208 HydrophobicContact CG-CD1 4.07Å; E132-L208 WeakPolarHBondContact OE1-CD1 3.48Å; L208-K218 HydrophobicContact CB-CB 4.3Å; L208-K218 HydrophobicContact CB-CD 4.29Å; L208-K218 HydrophobicContact CB-CG 4.32Å; L208-K218 HydrophobicContact CD1-CD 4.19Å; L208-K218 HydrophobicContact CD1-CG 4.29Å; L208-K218 PolarHBondContact N-O 2.93Å
209G85.6Confident88.9Confident32 Ų3262.1 Ų62.133%0.3332%0.323SS..EExtended strand (participates in β ladder)trans151.3-172.5177.500000112.8K218G209-K218 PolarHBondContact O-N 3.35Å
210E85.3Confident88.9Confident132 Ų13263 Ų6362%0.61733%0.33SS*.EExtended strand (participates in β ladder)trans-89147.2171.3-67.8169.5-16700109.7Y217E210-Y217 HydrophobicContact CG-CD1 3.98Å; E210-Y217 HydrophobicContact CG-CE1 3.89Å
211S84.6Confident89Confident18 Ų1861.1 Ų61.113%0.12632%0.321CS..  trans-65161.717457.10000111.3D213 G214 K216S211-D213 PolarHBondContact O-N 2.9Å; S211-G214 PolarHBondContact O-N 3.06Å; S211-K216 PolarHBondContact N-O 3.02Å; S211-K216 PolarHBondContact OG-N 2.74Å; S211-K216 PolarHBondContact OG-O 3.33Å
212N75.4Confident89Confident175 Ų17560 Ų6094%0.93632%0.316SS*.THydrogen-bonded Turntrans-52.8-29.7175.8-71.1-29000113.5
213D77.3Confident88.9Confident139 Ų13961 Ų6174%0.74332%0.32SS*.THydrogen-bonded Turntrans-85.6-3.8179.1-51.2-54.9000113.9S211 D215S211-D213 PolarHBondContact O-N 2.9Å; D213-D215 PolarHBondContact O-N 3.27Å; D213-D215 VanDerWaalsContact O-N 3.13Å
214G75.4Confident88.9Confident39 Ų3960 Ų6040%0.40232%0.315SS..SBendtrans74.8-11.9177.700000116.6S211S211-G214 PolarHBondContact O-N 3.06Å
215D86.4Confident88.7Confident128 Ų12865.9 Ų65.968%0.68434%0.34SS*.SBendtrans-90.7-21-171.9-70.7-26.9000114.8D213D213-D215 PolarHBondContact O-N 3.27Å; D213-D215 VanDerWaalsContact O-N 3.13Å
216K91.9Very high88.5Confident85 Ų8567.9 Ų67.937%0.3736%0.357SS..SBendtrans-121.6142.9-173.5-60175.5-176.5172.70110.7Y134 S211Y134-K216 HydrophobicContact CD1-CB 4.43Å; S211-K216 PolarHBondContact N-O 3.02Å; S211-K216 PolarHBondContact OG-N 2.74Å; S211-K216 PolarHBondContact OG-O 3.33Å
217Y92.3Very high88.3Confident81 Ų8163.1 Ų63.132%0.31834%0.337SS..EExtended strand (participates in β ladder)trans-93.9129.4173.9-60.2-83.7000110.1Y134 V135 F138 E210Y134-Y217 CarbonylContact C-O 3.56Å; Y134-Y217 WeakPolarHBondContact CA-O 3.36Å; V135-Y217 PolarHBondContact N-O 3.02Å; V135-Y217 PolarHBondContact O-N 3.01Å; F138-Y217 HydrophobicContact CE2-CD1 4.1Å; F138-Y217 HydrophobicContact CE2-CD2 4.08Å; F138-Y217 HydrophobicContact CE2-CE1 4.46Å; F138-Y217 HydrophobicContact CE2-CE2 4.47Å; F138-Y217 AromaticContact CE2-CG 3.89Å; F138-Y217 HydrophobicContact CE2-CG 3.89Å; F138-Y217 HydrophobicContact CZ-CD1 4.34Å; F138-Y217 HydrophobicContact CZ-CG 4.04Å; E210-Y217 HydrophobicContact CG-CD1 3.98Å; E210-Y217 HydrophobicContact CG-CE1 3.89Å
218K93.6Very high88.2Confident57 Ų5765.8 Ų65.825%0.24835%0.345CS..EExtended strand (participates in β ladder)trans-81.3116.6171-163-179-176.1-163.90109E132 Y134 L208 G209E132-K218 WeakPolarHBondContact OE2-CE 3.41Å; E132-K218 IonicContact OE2-NZ 2.79Å; E132-K218 PolarHBondContact OE2-NZ 3.13Å; Y134-K218 HydrophobicContact CD1-CB 3.99Å; Y134-K218 HydrophobicContact CD1-CG 4.21Å; Y134-K218 HydrophobicContact CE1-CB 3.69Å; Y134-K218 HydrophobicContact CE1-CD 4Å; Y134-K218 HydrophobicContact CE1-CG 3.7Å; L208-K218 HydrophobicContact CB-CB 4.3Å; L208-K218 HydrophobicContact CB-CD 4.29Å; L208-K218 HydrophobicContact CB-CG 4.32Å; L208-K218 HydrophobicContact CD1-CD 4.19Å; L208-K218 HydrophobicContact CD1-CG 4.29Å; L208-K218 PolarHBondContact N-O 2.93Å; G209-K218 PolarHBondContact O-N 3.35Å
219V93.9Very high88.3Confident2 Ų262.8 Ų62.81%0.01233%0.329CS..EExtended strand (participates in β ladder)trans-124.6132.1-176.1-172.30000109.5E132 K133 V135 F138 P204 V207 I221E132-V219 WeakPolarHBondContact CA-O 3.1Å; K133-V219 PolarHBondContact N-O 3.45Å; K133-V219 PolarHBondContact O-N 2.91Å; V135-V219 HydrophobicContact CB-CG2 4.49Å; V135-V219 HydrophobicContact CG2-CB 4.4Å; V135-V219 HydrophobicContact CG2-CG2 4.2Å; F138-V219 HydrophobicContact CE1-CG2 3.63Å; F138-V219 HydrophobicContact CZ-CG2 4.1Å; P204-V219 HydrophobicContact CB-CG1 4.15Å; V207-V219 HydrophobicContact CG2-CG2 4.48Å; V219-I221 HydrophobicContact CB-CG1 4.36Å; V219-I221 HydrophobicContact CG1-CG1 3.95Å
220S94.2Very high88.4Confident22 Ų2263.5 Ų63.515%0.15433%0.332CS..EExtended strand (participates in β ladder)trans-84128167.560.20000109.4R205 K206R205-S220 PolarHBondContact N-O 3.19Å; K206-S220 WeakPolarHBondContact CA-OG 3.46Å; K206-S220 WeakPolarHBondContact CB-OG 3.5Å; K206-S220 PolarHBondContact N-OG 3Å; K206-S220 PolarHBondContact O-N 3.01Å; K206-S220 PolarHBondContact O-OG 3.43Å
221I94.8Very high88.3Confident2 Ų259.1 Ų59.11%0.0131%0.311CS..EExtended strand (participates in β ladder)trans-130.1129.9-171.9-60.1179.5000108.3M131 K133 V202 V219M131-I221 PolarHBondContact N-O 3.45Å; M131-I221 PolarHBondContact O-N 3.12Å; K133-I221 HydrophobicContact CB-CD1 4.17Å; V202-I221 HydrophobicContact CG1-CG2 3.25Å; V219-I221 HydrophobicContact CB-CG1 4.36Å; V219-I221 HydrophobicContact CG1-CG1 3.95Å
222R93.7Very high88.2Confident9 Ų965.1 Ų65.13%0.03434%0.342CS..EExtended strand (participates in β ladder)trans-91.9129.1168-173.4167.6-72.7-176.2-6.5110.3E120 Y128 D130 V202 I203 W224E120-R222 IonicContact OE2-NH1 3.72Å; E120-R222 PolarHBondContact OE2-NH1 3.17Å; E120-R222 VanDerWaalsContact OE2-NH1 3.15Å; Y128-R222 HydrophobicContact CD2-CG 3.98Å; Y128-R222 VanDerWaalsContact CE2-CZ 3.46Å; Y128-R222 HydrophobicContact CG-CG 4.19Å; D130-R222 WeakPolarHBondContact OD1-CA 3.42Å; D130-R222 WeakPolarHBondContact OD1-CB 3.38Å; D130-R222 WeakPolarHBondContact OD1-CD 3.42Å; D130-R222 WeakPolarHBondContact OD1-CG 3.44Å; D130-R222 IonicContact OD1-CZ 3.96Å; D130-R222 IonicContact OD1-NE 2.83Å; D130-R222 PolarHBondContact OD1-NE 3.32Å; D130-R222 IonicContact OD1-NH2 3.59Å; D130-R222 IonicContact OD2-CZ 3.64Å; D130-R222 IonicContact OD2-NE 3.62Å; D130-R222 PolarHBondContact OD2-NE 3.37Å; D130-R222 IonicContact OD2-NH2 2.85Å; D130-R222 PolarHBondContact OD2-NH2 3.03Å; V202-R222 CarbonylContact C-O 3.56Å; V202-R222 WeakPolarHBondContact CA-O 3.21Å; I203-R222 HydrophobicContact CB-CB 4.41Å; I203-R222 PolarHBondContact N-O 3.2Å; I203-R222 PolarHBondContact O-N 2.8Å; R222-W224 HydrophobicContact CB-CH2 4.43Å; R222-W224 HydrophobicContact CB-CZ3 4.12Å; R222-W224 HydrophobicContact CG-CE3 4.12Å; R222-W224 HydrophobicContact CG-CH2 3.49Å; R222-W224 VanDerWaalsContact CG-CH2 3.49Å; R222-W224 HydrophobicContact CG-CZ2 4.17Å; R222-W224 HydrophobicContact CG-CZ3 3.45Å; R222-W224 VanDerWaalsContact CG-CZ3 3.45Å
223R92.6Very high88.5Confident21 Ų2161.7 Ų61.78%0.07933%0.326CS..EExtended strand (participates in β ladder)trans-123.6135.9-175.1179.3-164.4-177.1153.81.3111.8Y128 K129 G147 L148 D149 R201 K225Y128-R223 WeakPolarHBondContact CA-O 3.49Å; K129-R223 PolarHBondContact N-O 3.03Å; K129-R223 PolarHBondContact O-N 2.87Å; G147-R223 WeakPolarHBondContact O-CD 3.46Å; G147-R223 PolarHBondContact O-NE 3.41Å; G147-R223 PolarHBondContact O-NH1 2.86Å; L148-R223 HydrophobicContact CD2-CG 4.09Å; L148-R223 PolarHBondContact O-NH2 3.17Å; D149-R223 IonicContact OD2-CZ 3.41Å; D149-R223 IonicContact OD2-NH1 3.6Å; D149-R223 PolarHBondContact OD2-NH1 2.83Å; R201-R223 WeakPolarHBondContact O-CA 3.15Å; R223-K225 VanDerWaalsContact NE-CG 3.3Å; R223-K225 VanDerWaalsContact NH2-CE 3.27Å
224W93.4Very high88.6Confident14 Ų1455.1 Ų55.15%0.05329%0.292CS..EExtended strand (participates in β ladder)trans-116.5121.5161.6-66.9-100.2000109.6Y128 M200 R201 I203 R222 L227Y128-W224 VanDerWaalsContact CB-CE2 3.41Å; Y128-W224 HydrophobicContact CD1-CZ2 4.2Å; Y128-W224 HydrophobicContact CG-CZ2 4.13Å; M200-W224 WeakPolarHBondContact CA-O 3.36Å; R201-W224 HydrophobicContact CB-CB 4.21Å; R201-W224 HydrophobicContact CB-CD2 4.41Å; R201-W224 HydrophobicContact CB-CE3 3.89Å; R201-W224 HydrophobicContact CG-CE3 3.73Å; R201-W224 HydrophobicContact CG-CZ3 4.02Å; R201-W224 PolarHBondContact N-O 3.47Å; R201-W224 PolarHBondContact O-N 3.31Å; I203-W224 HydrophobicContact CB-CZ3 4.48Å; I203-W224 HydrophobicContact CD1-CH2 3.8Å; I203-W224 HydrophobicContact CD1-CZ3 3.58Å; I203-W224 HydrophobicContact CG1-CZ3 3.87Å; R222-W224 HydrophobicContact CB-CH2 4.43Å; R222-W224 HydrophobicContact CB-CZ3 4.12Å; R222-W224 HydrophobicContact CG-CE3 4.12Å; R222-W224 HydrophobicContact CG-CH2 3.49Å; R222-W224 VanDerWaalsContact CG-CH2 3.49Å; R222-W224 HydrophobicContact CG-CZ2 4.17Å; R222-W224 HydrophobicContact CG-CZ3 3.45Å; R222-W224 VanDerWaalsContact CG-CZ3 3.45Å; W224-L227 HydrophobicContact CB-CB 4.15Å
225K89.9Confident89Confident126 Ų12655.4 Ų55.455%0.54828%0.282SS..EExtended strand (participates in β ladder)trans-80.6-30.8174.3-69.3-170-169.8-170.90112.5M200 R223M200-K225 WeakPolarHBondContact CE-O 3.47Å; M200-K225 WeakPolarHBondContact CG-O 3.33Å; R223-K225 VanDerWaalsContact NE-CG 3.3Å; R223-K225 VanDerWaalsContact NH2-CE 3.27Å
226V88.8Confident88.7Confident91 Ų9155.4 Ų55.455%0.55228%0.276SS*.EExtended strand (participates in β ladder)trans-138.2113.7178.9-176.80000106.5T198T198-V226 HydrophobicContact CG2-CG1 4.07Å
227L88.9Confident87.4Confident2 Ų260.3 Ų60.31%0.0132%0.317CS..EExtended strand (participates in β ladder)trans-133.7119.5175-179.467.5000108.6L124 T198 L199 R201 W224 L229L124-L227 HydrophobicContact CD2-CD1 3.98Å; L124-L227 HydrophobicContact CD2-CD2 4.42Å; T198-L227 CarbonylContact C-O 3.59Å; T198-L227 WeakPolarHBondContact CA-O 3.36Å; L199-L227 PolarHBondContact N-O 3.04Å; L199-L227 PolarHBondContact O-N 2.79Å; R201-L227 HydrophobicContact CB-CD2 4.09Å; W224-L227 HydrophobicContact CB-CB 4.15Å; L227-L229 HydrophobicContact CD1-CD2 4.31Å; L227-L229 HydrophobicContact CD2-CD1 3.93Å; L227-L229 HydrophobicContact CD2-CD2 4.37Å; L227-L229 HydrophobicContact CD2-CG 4.05Å; L227-L229 HydrophobicContact CG-CD1 4.43Å; L227-L229 HydrophobicContact CG-CD2 4.23Å; L227-L229 HydrophobicContact CG-CG 3.99Å
228E88.7Confident87.2Confident119 Ų11959.3 Ų59.356%0.55632%0.316SS*.EExtended strand (participates in β ladder)trans-98.4119.7175.5-62.1-169.8163.400109.5V197 T198V197-E228 WeakPolarHBondContact O-CA 3.48Å; T198-E228 HydrophobicContact CG2-CG 4.41Å
229L86.9Confident86.8Confident24 Ų2459.4 Ų59.413%0.12632%0.32CS..EExtended strand (participates in β ladder)trans-125.1152.3175.6-64.4-177.4000110.5T196 V197 L199 L227 A234T196-L229 CarbonylContact C-O 3.56Å; T196-L229 WeakPolarHBondContact CA-O 3.49Å; V197-L229 PolarHBondContact N-O 3.1Å; V197-L229 PolarHBondContact O-N 2.96Å; L199-L229 HydrophobicContact CD1-CB 3.94Å; L199-L229 HydrophobicContact CD1-CD1 3.52Å; L199-L229 HydrophobicContact CD1-CG 3.81Å; L227-L229 HydrophobicContact CD1-CD2 4.31Å; L227-L229 HydrophobicContact CD2-CD1 3.93Å; L227-L229 HydrophobicContact CD2-CD2 4.37Å; L227-L229 HydrophobicContact CD2-CG 4.05Å; L227-L229 HydrophobicContact CG-CD1 4.43Å; L227-L229 HydrophobicContact CG-CD2 4.23Å; L227-L229 HydrophobicContact CG-CG 3.99Å; L229-A234 HydrophobicContact CB-CB 4.11Å
230A87.7Confident86.4Confident47 Ų4762.6 Ų62.639%0.38834%0.337SS..EExtended strand (participates in β ladder)trans-63.3144.3165.300000110.2D232 V233 A234A230-D232 PolarHBondContact O-N 3.44Å; A230-V233 HydrophobicContact CB-CG2 4.48Å; A230-V233 PolarHBondContact O-N 3.13Å; A230-V233 VanDerWaalsContact O-N 3.1Å; A230-A234 WeakPolarHBondContact O-CB 3.14Å; A230-A234 PolarHBondContact O-N 3.3Å
231K84.6Confident86Confident40 Ų4065 Ų6517%0.17435%0.348CS..Hα-helixtrans-52.9-39.5-179.9-76.3170.7-171.6163.60113.2N191 N195 V197 V233 A234 F235N191-K231 WeakPolarHBondContact O-CE 3.49Å; N191-K231 PolarHBondContact O-NZ 2.93Å; N191-K231 VanDerWaalsContact O-NZ 3.07Å; N195-K231 HydrophobicContact CB-CD 4.24Å; N195-K231 WeakPolarHBondContact O-CG 3.35Å; N195-K231 PolarHBondContact O-N 2.69Å; N195-K231 PolarHBondContact OD1-NZ 3.36Å; V197-K231 HydrophobicContact CG2-CB 4.36Å; V197-K231 HydrophobicContact CG2-CG 3.43Å; V197-K231 VanDerWaalsContact CG2-CG 3.43Å; K231-V233 VanDerWaalsContact C-N 3.27Å; K231-V233 PolarHBondContact O-N 3Å; K231-A234 PolarHBondContact O-N 3.49Å; K231-F235 HydrophobicContact CB-CD2 4.3Å; K231-F235 HydrophobicContact CG-CE2 4.29Å; K231-F235 WeakPolarHBondContact O-CD2 3.05Å; K231-F235 PolarHBondContact O-N 3.35Å
232D82.4Confident85.4Confident145 Ų14568.9 Ų68.978%0.77537%0.369SS*.Hα-helixtrans-68.9-27.8-175.9-52.6-37.5000112.6A230A230-D232 PolarHBondContact O-N 3.44Å
233V81.9Confident84.9Confident102 Ų10272.9 Ų72.962%0.61839%0.391SS*.Hα-helixtrans-88.1-36.8177.5-178.90000110.7A230 K231A230-V233 HydrophobicContact CB-CG2 4.48Å; A230-V233 PolarHBondContact O-N 3.13Å; A230-V233 VanDerWaalsContact O-N 3.1Å; K231-V233 VanDerWaalsContact C-N 3.27Å; K231-V233 PolarHBondContact O-N 3Å
234A79.1Confident84.3Confident2 Ų276.6 Ų76.62%0.01741%0.414CS..Hα-helixtrans-71-37.7-178.700000112.8L199 L229 A230 K231L199-A234 HydrophobicContact CD1-CB 4Å; L229-A234 HydrophobicContact CB-CB 4.11Å; A230-A234 WeakPolarHBondContact O-CB 3.14Å; A230-A234 PolarHBondContact O-N 3.3Å; K231-A234 PolarHBondContact O-N 3.49Å
235F83.4Confident83.6Confident45 Ų4581.5 Ų81.520%0.19744%0.441CS..  trans-108.8112.7-177.6-56.3-50.1000110.2R165 V187 V197 K231R165-F235 HydrophobicContact CG-CE1 4.36Å; V187-F235 HydrophobicContact CG2-CE1 4.02Å; V187-F235 HydrophobicContact CG2-CZ 4.28Å; V197-F235 HydrophobicContact CG1-CZ 4.22Å; V197-F235 HydrophobicContact CG2-CE2 3.8Å; V197-F235 HydrophobicContact CG2-CZ 4.06Å; K231-F235 HydrophobicContact CB-CD2 4.3Å; K231-F235 HydrophobicContact CG-CE2 4.29Å; K231-F235 WeakPolarHBondContact O-CD2 3.05Å; K231-F235 PolarHBondContact O-N 3.35Å
236K80.8Confident83.1Confident128 Ų12877.8 Ų77.856%0.55743%0.433SS*.  trans-80.7135168.3-64.7-169.6-172.5173.10109N167 G168N167-K236 WeakPolarHBondContact O-CD 3.48Å; G168-K236 PolarHBondContact O-N 2.88Å
237P64Low82.6Confident188 Ų18876.5 Ų76.5100%1.22142%0.422SS*.  trans-650176.627.5-34000112.8

Retrieved 237 of 237 residues in 183.4 ms (Link to these results)