A0A096NSD3_PAPAN Loading...

GTP-binding protein REM 2

Binds GTP saturably and exhibits a low intrinsic rate of GTP hydrolysis.

AlphaFold DB , UniProt , Accession A0A096NSD3, Species PAPAN (Papio anubis, Olive baboon), Gene REM2, Length 340 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M41.2Very low48.2Very low231 Ų231137.5 Ų137.5100%1.13875%0.745SS**  095.80-66.3171.3179.700104.8
2H42.8Very low47.6Very low169 Ų169137.6 Ų137.678%0.78275%0.745SS**  82.193.689.9-80.50.9000109.2
3T38.1Very low47.7Very low97 Ų97137.8 Ų137.860%0.59575%0.754SS**  92.1109.468.651.10000110.4
4D54.1Low47.2Very low139 Ų139139.4 Ų139.474%0.74375%0.753SS**  65.5176.2129-48.4-32.9000115.9
5P64.8Low46.8Very low105 Ų105138.6 Ų138.668%0.68276%0.755SS**  cis-139162.910.440-19.5000119.1
6D46.6Very low46.3Very low131 Ų131136.6 Ų136.670%0.70175%0.749SS**  35.3139.8127.9-45.3-37.9000123.2
7T51.5Low45.8Very low130 Ų130133.6 Ų133.680%0.79875%0.747SS**  trans-161.187.8130.8-57.70000105.6
8D47.7Very low45.2Very low121 Ų121135.3 Ų135.365%0.64775%0.753SS**  87.1115.397.9-74.9-33.3000113
9M49.5Very low44.9Very low156 Ų156134.3 Ų134.377%0.76875%0.754SS**  70.3146.889.6-75.9-158.9158.300114
10D44Very low45.4Very low119 Ų119134.1 Ų134.164%0.63676%0.759SS**  cis-167.4165.6-20.7-97-14.1000104.4
11T49.6Very low45Very low115 Ų115133.4 Ų133.471%0.70676%0.763SS**  -178.2140.660.415.90000109.5
12D41.3Very low44.7Very low138 Ų138125.8 Ų125.874%0.73874%0.744SS**  trans34.2136.4132.5-51.3-32.6000121.2
13T48.3Very low44.4Very low141 Ų141123 Ų12387%0.86574%0.743SS**  -152.8136.175.5-18.70000116.9
14E41.3Very low44.4Very low159 Ų159128.9 Ų128.974%0.74375%0.754SS**  trans-30.5155.1161.9-132.6-178.7138.500120.4
15T41.8Very low43.6Very low128 Ų128133.6 Ų133.679%0.78576%0.762SS**  -177104114.9-69.30000113.5
16T37.5Very low42.1Very low106 Ų106132.9 Ų132.965%0.6577%0.765SS**  trans51.7127130.2-36.40000123.8
17A38.4Very low41.5Very low87 Ų87132 Ų13272%0.71977%0.769SS**  trans-82.6-165.7176.300000116.4
18L35.1Very low42.3Very low163 Ų163131.7 Ų131.785%0.85377%0.769SS**  trans112.3124150.9-71.6145.9000119.1
19C40.3Very low42.7Very low116 Ų116132.1 Ų132.178%0.78478%0.778SS**  trans-67.6168157.8-51.70000111
20P53.2Low41.9Very low130 Ų130128.1 Ų128.184%0.84478%0.777SS**  -144.6-178.4112.536-20.2000115.8
21S36.9Very low41.7Very low120 Ų120129 Ų12984%0.83979%0.787SS**  trans-97.7168.2-170.452.80000114.6
22G35.5Very low41.6Very low72 Ų72129.3 Ų129.374%0.74279%0.791SS**  trans14589.6139.700000121.8
23S37.7Very low41.4Very low109 Ų109129.2 Ų129.276%0.76280%0.796SS**  65.9116.3126.9-1530000123.1
24R37.1Very low41.7Very low221 Ų221128 Ų12883%0.83479%0.79SS**  166.9116.2108.6-87.1176.4-170.4-120.7-2.6111.4
25R36.8Very low41.4Very low238 Ų238130 Ų13090%0.89880%0.799SS**  77.8126.4102-139.9177.5-163.3-130.14.6112.7
26A34.3Very low41.2Very low91 Ų91128.5 Ų128.575%0.75280%0.8SS**  cis-150.1-177.841.700000115.2
27S34.6Very low40.9Very low113 Ų113131 Ų13179%0.7981%0.81SS**  trans-164.2-176.5-171.3-44.40000110.1
28P67.6Low40.7Very low123 Ų123132 Ų13280%0.79981%0.807SS**  -112.6-95.9-50.328.3-7.9000107.9
29P56Low40.6Very low129 Ų129130 Ų13084%0.83880%0.802SS**  cis-100.8-168.9-28.741.3-30.1000112.5
30G33.2Very low40.5Very low72 Ų72131.6 Ų131.674%0.74280%0.802SS**  trans166.17.4169.300000121.1
31T38.8Very low39.8Very low138 Ų138132.9 Ų132.985%0.84780%0.801SS**  trans-145.5132.9174.548.30000112
32P46.8Very low39.5Very low122 Ų122136.9 Ų136.979%0.79280%0.803SS**  trans-107.2147.3165.736.5-28000113
33T38.3Very low39.7Very low135 Ų135142.8 Ų142.883%0.82881%0.808SS**  trans-135.5-175.316154.30000107
34P55.3Low40Very low115 Ų115143.4 Ų143.475%0.74781%0.81SS**  -118.3167.4-80.938-24.7000111.5
35E33.2Very low39.8Very low201 Ų201141 Ų14194%0.93981%0.808SS**  trans-133.5149.8158-73.5-160.8149.100111.2
36A38.2Very low39.5Very low97 Ų97138.6 Ų138.680%0.80280%0.804SS**  trans-102.5147.5178.200000109.4
37D31.9Very low39.4Very low159 Ų159142.4 Ų142.485%0.8581%0.811SS**  trans-143.3160.7149.9-146.2-16000111.2
38T34.3Very low39.2Very low107 Ų107144.9 Ų144.966%0.65681%0.814SS**  trans-114.8174.7-166.353.60000112.1
39T32.5Very low37.4Very low122 Ų122143.3 Ų143.375%0.74881%0.811SS**  trans99.4152.116078.40000119.6
40L38.3Very low36.3Very low150 Ų150145.3 Ų145.379%0.78581%0.81SS**  trans82.576.8162.3-55-176.1000120.8
41L37.7Very low36.4Very low157 Ų157147.6 Ų147.682%0.82280%0.804SS**  14.5117.1114.2-71.7154.9000117.9
42K32Very low36Very low204 Ų204148.4 Ų148.489%0.88780%0.803SS**  178.1124.8117.2-97.2160.2-176.7175.80114.2
43K38.4Very low35.6Very low196 Ų196153.1 Ų153.185%0.85281%0.805SS**  trans-79.5159.7141.4-101.3179.7179.5-179.50107.5
44P43.8Very low35.6Very low122 Ų122152.6 Ų152.679%0.79281%0.807SS**  -151.7-168.955.842.1-19.5000118
45E33.4Very low34.5Very low171 Ų171150.3 Ų150.380%0.79981%0.805SS**  trans-40.8172.3-177.5-50.5179.6140.900122.3
46K30.2Very low34.7Very low186 Ų186149 Ų14981%0.80980%0.803SS**  trans89.4114.4159.6-62.6-176.4-179.9178.50118.2
47L32.7Very low35Very low172 Ų172150.3 Ų150.390%0.90180%0.803SS**  -158.2140.4117.1-105.5164.7000110.6
48L29.8Very low35.2Very low164 Ų164148 Ų14886%0.85980%0.8SS**  trans-140.3144.7178.7-109.6172.5000107.3
49A30.6Very low35.5Very low90 Ų90149.7 Ų149.774%0.74481%0.809SS**  trans65149.6-178.500000113.7
50E32.7Very low36Very low171 Ų171149.9 Ų149.980%0.79981%0.813SS**  cis-136.1178.73.5-81.8-157113.700108.3
51L34.7Very low36.2Very low120 Ų120146.7 Ų146.763%0.62882%0.816SS**  cis-159.9151.50.4-132.5165.1000108.4R53L51-R53 HydrophobicContact CD2-CG 4.33Å
52D31.1Very low36.5Very low155 Ų155143.3 Ų143.383%0.82981%0.811SS**  -160.5149.1127.5-154.82.7000113
53R39.2Very low37Very low222 Ų222139.8 Ų139.884%0.83881%0.809SS**  trans-127.2124.8178-83.6179.9164.3-163.3-0.4110.2L51L51-R53 HydrophobicContact CD2-CG 4.33Å
54S38.2Very low37.2Very low124 Ų124142.2 Ų142.287%0.86781%0.812SS**  trans-155.3152.7149.252.70000110.5
55G32.6Very low37.4Very low67 Ų67148 Ų14869%0.69182%0.819SS**  trans-155.6172.3179.900000114.3
56L36.5Very low38Very low174 Ų174151.6 Ų151.691%0.91183%0.825SS**  trans88.4155.3166.8-59.3164.5000116.3
57P45.4Very low38.4Very low124 Ų124145.8 Ų145.881%0.80582%0.818SS**  cis-124-171.12.440.2-24.5000114.8
58S34.4Very low39.2Very low111 Ų111143.2 Ų143.278%0.77681%0.814SS**  trans-104.9151.7-173.949.40000114.7
59V41.3Very low40.1Very low141 Ų141143.4 Ų143.486%0.85581%0.813SS**  trans-135.2140.1166.31790000108.3
60P43.8Very low41.1Very low127 Ų127144.9 Ų144.983%0.82582%0.815SS**  trans-94.9152.4-167.636.1-34.9000114.5
61G42.7Very low41.8Very low83 Ų83142.7 Ų142.786%0.85681%0.813SS**  trans122.973.1157.100000117.8
62A42.3Very low42Very low85 Ų85141.7 Ų141.770%0.70281%0.813SS**  trans-162.6142.1153.900000110.7R64A62-R64 PolarHBondContact O-N 3.22Å
63P44Very low42.5Very low130 Ų130144.2 Ų144.284%0.84481%0.813SS**PPolyproline II helixtrans-71.5124.1-178.628.5-33.6000111.5R65P63-R65 PolarHBondContact O-N 3.35Å
64R42.4Very low42.4Very low247 Ų247142.6 Ų142.693%0.93281%0.812SS**PPolyproline II helixtrans-71126.5177.6-80.5-175.3158.1-146-5.6111.2A62 R66A62-R64 PolarHBondContact O-N 3.22Å; R64-R66 PolarHBondContact O-N 3.41Å
65R46.6Very low42.6Very low244 Ų244144.8 Ų144.892%0.92181%0.808SS**PPolyproline II helixtrans-54.1130.7168.5-72.9177.5171.1-111.70.3110.1P63 G67P63-R65 PolarHBondContact O-N 3.35Å; R65-G67 PolarHBondContact O-N 3.41Å
66R47.2Very low43.1Very low246 Ų246149.4 Ų149.493%0.92881%0.812SS**  trans-68.5100.1169.6-179.4177.4-73.5-124.50.3108.5R64 S68R64-R66 PolarHBondContact O-N 3.41Å; R66-S68 PolarHBondContact O-N 3.42Å
67G38.9Very low43.5Very low64 Ų64149.1 Ų149.166%0.6681%0.81SS**PPolyproline II helixtrans-64.2128170.200000110.1R65 M69R65-G67 PolarHBondContact O-N 3.41Å; G67-M69 PolarHBondContact O-N 2.88Å
68S48.9Very low43.4Very low118 Ų118154.4 Ų154.483%0.82581%0.814SS**PPolyproline II helixtrans-66.6119.7171.442.60000109.9R66R66-S68 PolarHBondContact O-N 3.42Å
69M48.1Very low44Very low168 Ų168161.3 Ų161.383%0.82882%0.823SS**PPolyproline II helixtrans-66.8145172.6-71.6-176.161.700110.7G67 V71G67-M69 PolarHBondContact O-N 2.88Å; M69-V71 PolarHBondContact O-N 3.25Å
70P51.6Low43.8Very low122 Ų122159 Ų15979%0.79282%0.818SS**PPolyproline II helixtrans-69.4130.1170.517.1-11.9000110.1
71V47Very low43.5Very low125 Ų125161.3 Ų161.376%0.75882%0.818SS**PPolyproline II helixtrans-76.5141.6-179.5-168.80000109.7M69M69-V71 PolarHBondContact O-N 3.25Å
72P39.9Very low43.1Very low98 Ų98162.2 Ų162.264%0.63682%0.817SS**PPolyproline II helixtrans-62.2146.2-171.9-26.135.8000115.6K74P72-K74 PolarHBondContact O-N 3.33Å
73Y41.7Very low43.1Very low208 Ų208165 Ų16582%0.81683%0.825SS**THydrogen-bonded Turntrans-71.551.7-178.7-168.8-101.3000113.8
74K37.4Very low42.7Very low189 Ų189166 Ų16682%0.82282%0.824SS**THydrogen-bonded Turntrans-125.81.4179.3-76.9-165173-173.20115.8P72P72-K74 PolarHBondContact O-N 3.33Å
75H41.5Very low42.7Very low170 Ų170162.9 Ų162.979%0.78782%0.82SS**SBendtrans-109.314.2-177-65.6-75.8000115.4
76Q44.2Very low42.4Very low164 Ų164159.8 Ų159.877%0.76682%0.82SS**SBendtrans-104.90.9-178.4-71.5-167.5-500115.7
77L44Very low41.8Very low167 Ų167155.3 Ų155.387%0.87482%0.815SS**SBendtrans-133.173.2-178.6-86.4161000112.5
78R44.1Very low42.2Very low235 Ų235160.6 Ų160.689%0.88782%0.815SS**  trans-153.951.9157.7-142.5-178.8-156.5-157.84.8112.9
79R46.5Very low41.9Very low256 Ų256159.5 Ų159.597%0.96681%0.806SS**SBendtrans-121.412.9177.9-134.7176.6-167.9152.55.7114.3
80A36.6Very low41.3Very low92 Ų92156.9 Ų156.976%0.7680%0.801SS**SBendtrans-139.24-172.700000114.7
81Q36.9Very low40.7Very low177 Ų177159.8 Ų159.883%0.82780%0.804SS**  trans-144.177.8-178.8-73.9-174.1-2800110.8
82A34.9Very low40Very low101 Ų101158.8 Ų158.884%0.83581%0.809SS**  trans-157.154.8163.300000108
83V43.5Very low39.8Very low143 Ų143159.1 Ų159.187%0.86781%0.813SS**  trans-108.479.9165.9-76.80000107.2
84D35.2Very low39.6Very low151 Ų151154.8 Ų154.881%0.80781%0.813SS**SBendtrans-143.8126.8163.5-140.213.7000107.8
85E41.2Very low39.7Very low183 Ų183151.4 Ų151.486%0.85581%0.814SS**  trans2395.7176.9-56.2-161.913200119D87E85-D87 PolarHBondContact O-N 3.38Å
86L40.5Very low39.5Very low178 Ų178147.3 Ų147.393%0.93282%0.818SS**  trans-80.8101.6151.9-88.2167.2000109.1W88L86-W88 PolarHBondContact O-N 3.35Å
87D36.1Very low39.1Very low153 Ų153145.3 Ų145.382%0.81882%0.821SS**  trans-67.691.1172.1-167.415.8000110E85E85-D87 PolarHBondContact O-N 3.38Å
88W47.1Very low39.1Very low174 Ų174142 Ų14266%0.65981%0.812SS**PPolyproline II helixtrans-76.4129.1176.2179.1-82.6000109.2L86L86-W88 PolarHBondContact O-N 3.35Å
89P42.5Very low38.8Very low96 Ų96137.4 Ų137.462%0.62381%0.805SS**PPolyproline II helixtrans-59127.8-171.122.5-33.3000111.1
90P35.1Very low38.4Very low112 Ų112130.5 Ų130.573%0.72780%0.797SS**PPolyproline II helixtrans-63.6149.9179.326.1-33.7000110.2A92P90-A92 PolarHBondContact O-N 3.42Å
91Q38.7Very low39Very low183 Ų183134.9 Ų134.986%0.85581%0.806SS**PPolyproline II helixtrans-56.8133.4178.2-59.9-173.6500110S93Q91-S93 VanDerWaalsContact C-N 3.28Å; Q91-S93 PolarHBondContact O-N 3.17Å
92A33.3Very low39Very low104 Ų104130.1 Ų130.186%0.8680%0.804SS**  trans-6588.6172.600000110.2P90 S94P90-A92 PolarHBondContact O-N 3.42Å; A92-S94 VanDerWaalsContact C-N 3.34Å; A92-S94 PolarHBondContact O-N 3Å
93S35.7Very low39.6Very low105 Ų105132.1 Ų132.173%0.73481%0.812SS**  trans-70.591.7164.544.70000108.1Q91 S95Q91-S93 VanDerWaalsContact C-N 3.28Å; Q91-S93 PolarHBondContact O-N 3.17Å; S93-S95 PolarHBondContact O-N 3.17Å
94S36.5Very low39.4Very low117 Ų117128.4 Ų128.482%0.81880%0.803SS**  trans-62.8101.6171.955.70000109.5A92 G96A92-S94 VanDerWaalsContact C-N 3.34Å; A92-S94 PolarHBondContact O-N 3Å; S94-G96 PolarHBondContact O-N 3.42Å
95S40.6Very low40Very low119 Ų119131.2 Ų131.283%0.83281%0.811SS**  trans-58.7118.1173-13.40000109S93 S97S93-S95 PolarHBondContact O-N 3.17Å; S95-S97 PolarHBondContact O-N 3.34Å
96G37.3Very low40Very low84 Ų84126.9 Ų126.987%0.86681%0.807SS**  trans-69.5127.6175.800000110.8S94S94-G96 PolarHBondContact O-N 3.42Å
97S34.3Very low40.3Very low121 Ų121122.4 Ų122.485%0.84680%0.796SS**  trans-123.2116.8159.1-160.30000107.2S95S95-S97 PolarHBondContact O-N 3.34Å
98S43.6Very low40.6Very low97 Ų97120.9 Ų120.968%0.67879%0.794SS**  trans-76.3139.3176-175.90000109.5
99D39Very low40.5Very low139 Ų139117.5 Ų117.574%0.74380%0.803SS**  174.2158.4111.1-84.7-15.7000113.6
100S38.6Very low40.9Very low112 Ų112119.3 Ų119.378%0.78380%0.803SS**  trans82.683.3164.5-53.80000119.6
101L48.6Very low41.6Very low183 Ų183123.4 Ų123.496%0.95881%0.81SS**  trans23.8108.5130.5-56.5175.9000118.8
102G37.2Very low42.7Very low77 Ų77116.6 Ų116.679%0.79478%0.78SS**  trans-156.6116.1162.100000110.8G104G102-G104 PolarHBondContact O-N 3.23Å
103S48.1Very low44.8Very low143 Ų143113.4 Ų113.4100%176%0.756SS**  trans-74.4118.7-178-66.60000111.5
104G39Very low47.5Very low66 Ų66112.9 Ų112.968%0.6874%0.744SS**  trans-172.5115.1171.700000109.7G102 A106G102-G104 PolarHBondContact O-N 3.23Å; G104-A106 VanDerWaalsContact C-N 3.28Å; G104-A106 PolarHBondContact O-N 3.33Å
105E47.3Very low50.2Low209 Ų209107.4 Ų107.498%0.97771%0.706SS**  trans-74.880.9-176.8-166.5161.5120.600110.7A107E105-A107 PolarHBondContact O-N 2.92Å
106A40.3Very low52.8Low92 Ų92104.2 Ų104.276%0.7668%0.677SS**  trans-79.7112.9172.400000109.6G104G104-A106 VanDerWaalsContact C-N 3.28Å; G104-A106 PolarHBondContact O-N 3.33Å
107A47.5Very low55.5Low85 Ų85100.2 Ų100.270%0.70264%0.636SS**PPolyproline II helixtrans-53.4146169.700000110.7E105 A109E105-A107 PolarHBondContact O-N 2.92Å; A107-A109 PolarHBondContact O-N 3.15Å; A107-A109 VanDerWaalsContact O-N 3.16Å
108P43.1Very low58.3Low120 Ų12094.8 Ų94.878%0.77960%0.597SS**PPolyproline II helixtrans-61122.4-173.324.3-34.2000111.1Q110P108-Q110 PolarHBondContact O-N 3.15Å
109A45.3Very low60.8Low103 Ų10390.2 Ų90.285%0.85157%0.565SS**PPolyproline II helixtrans-54.9120.7179.400000110.5A107A107-A109 PolarHBondContact O-N 3.15Å; A107-A109 VanDerWaalsContact O-N 3.16Å
110Q50.6Low63.4Low134 Ų13483.6 Ų83.663%0.62653%0.53SS*.PPolyproline II helixtrans-76.3136-170.2-70.8177.8-13.900112.2P108 D112P108-Q110 PolarHBondContact O-N 3.15Å; Q110-D112 HydrophobicContact CB-CB 3.86Å; Q110-D112 WeakPolarHBondContact CB-OD2 3.46Å; Q110-D112 PolarHBondContact O-N 3.25Å; Q110-D112 PolarHBondContact OE1-OD2 3.21Å
111K49.6Very low66Low198 Ų19878.4 Ų78.486%0.86149%0.494SS*.  trans-76.340163.3-69.4-172.3174.1-176.20112
112D61.5Low68.1Low41 Ų4172.9 Ų72.922%0.21946%0.463CS..  trans-101.915-168.9-74.8-42.1000113.6Q110 R281 R285Q110-D112 HydrophobicContact CB-CB 3.86Å; Q110-D112 WeakPolarHBondContact CB-OD2 3.46Å; Q110-D112 PolarHBondContact O-N 3.25Å; Q110-D112 PolarHBondContact OE1-OD2 3.21Å; D112-R281 IonicContact OD1-CZ 3.46Å; D112-R281 IonicContact OD1-NH1 3.77Å; D112-R281 PolarHBondContact OD1-NH1 3.36Å; D112-R285 IonicContact OD2-NH1 3.25Å; D112-R285 PolarHBondContact OD2-NH1 3.01Å
113G76.9Confident70.7Confident36 Ų3673.4 Ų73.437%0.37146%0.455SS..SBendtrans-94.4-17179.600000117T164G113-T164 WeakPolarHBondContact O-CB 3.47Å; G113-T164 PolarHBondContact O-N 3.45Å
114I92Very high72.9Confident95 Ų9569 Ų6949%0.48743%0.432SS..EExtended strand (participates in β ladder)trans-127.2129.2-176.5-50.8179.3000110.4T164 V166I114-T164 CarbonylContact C-O 3.25Å; I114-T164 WeakPolarHBondContact CA-O 3.3Å; I114-T164 HydrophobicContact CG1-CG2 4.4Å; I114-T164 HydrophobicContact CG2-CG2 4.22Å; I114-V166 HydrophobicContact CG2-CG2 3.92Å
115F94.3Very high75.6Confident2 Ų266 Ų661%0.00940%0.4CS..EExtended strand (participates in β ladder)trans-124.4131.7177.5-66.3-59.1000112V163 T164 L165 V166 D189 V274 I277 R278 R281F115-V163 HydrophobicContact CD2-CB 4.12Å; F115-V163 HydrophobicContact CD2-CG1 4.3Å; F115-V163 HydrophobicContact CD2-CG2 4.48Å; F115-V163 HydrophobicContact CE2-CB 4.16Å; F115-V163 HydrophobicContact CE2-CG1 3.83Å; F115-T164 PolarHBondContact N-O 3.09Å; F115-L165 HydrophobicContact CB-CD2 3.93Å; F115-L165 WeakPolarHBondContact O-CA 3.48Å; F115-V166 PolarHBondContact O-N 3.45Å; F115-D189 WeakPolarHBondContact CA-OD2 3.24Å; F115-V274 HydrophobicContact CD2-CG1 4.17Å; F115-V274 HydrophobicContact CD2-CG2 4.13Å; F115-V274 HydrophobicContact CE2-CG1 3.95Å; F115-I277 HydrophobicContact CB-CD1 3.91Å; F115-I277 HydrophobicContact CD1-CB 4.31Å; F115-I277 HydrophobicContact CD1-CD1 4.02Å; F115-I277 HydrophobicContact CD1-CG2 3.57Å; F115-I277 HydrophobicContact CE1-CB 4.32Å; F115-I277 HydrophobicContact CE1-CG2 3.46Å; F115-I277 VanDerWaalsContact CE1-CG2 3.46Å; F115-I277 HydrophobicContact CG-CD1 4.02Å; F115-I277 HydrophobicContact CZ-CG2 4.37Å; F115-R278 HydrophobicContact CZ-CG 4.33Å; F115-R281 VanDerWaalsContact CE1-CZ 3.48Å
116K93.6Very high77.9Confident51 Ų5156.6 Ų56.622%0.22236%0.36CS..EExtended strand (participates in β ladder)trans-97.1122.6179.1-64.2-170.4174.7-164.40111.5V166 Y168 D189 A190K116-V166 WeakPolarHBondContact CA-O 3.31Å; K116-Y168 HydrophobicContact CB-CE2 3.93Å; K116-Y168 HydrophobicContact CD-CE2 3.98Å; K116-Y168 WeakPolarHBondContact CE-OH 3.4Å; K116-Y168 HydrophobicContact CG-CE2 3.92Å; K116-Y168 PolarHBondContact NZ-OH 3.41Å; K116-D189 PolarHBondContact N-OD2 3.2Å; K116-D189 WeakPolarHBondContact O-CA 3.33Å; K116-D189 WeakPolarHBondContact O-CB 3.47Å; K116-D189 PolarHBondContact O-N 2.94Å; K116-A190 PolarHBondContact O-N 2.92Å; K116-A190 VanDerWaalsContact O-N 3.16Å
117V95.1Very high80.5Confident0 Ų052.5 Ų52.50%033%0.325CS..EExtended strand (participates in β ladder)trans-119.1123.5-178.8177.60000110.4L165 V166 V167 Y168 A190 L192 A273V117-L165 HydrophobicContact CB-CD2 4.43Å; V117-L165 HydrophobicContact CG2-CD2 3.36Å; V117-V166 PolarHBondContact N-O 2.85Å; V117-V167 HydrophobicContact CB-CG2 4.28Å; V117-V167 WeakPolarHBondContact O-CA 3.37Å; V117-Y168 PolarHBondContact O-N 3.38Å; V117-A190 HydrophobicContact CG2-CB 4.33Å; V117-L192 HydrophobicContact CG1-CD1 3.64Å; V117-L192 HydrophobicContact CG1-CD2 4.35Å; V117-L192 HydrophobicContact CG1-CG 3.63Å; V117-A273 HydrophobicContact CG2-CB 4.02Å
118M94.1Very high82.7Confident8 Ų851.7 Ų51.74%0.03931%0.314CS..EExtended strand (participates in β ladder)trans-97.5125.2-179.5-59.2-53.8-46.100111V120 Y168 I170 C184 A190 F191 L192M118-V120 HydrophobicContact CB-CG2 4.32Å; M118-Y168 HydrophobicContact CE-CG 4.13Å; M118-Y168 HydrophobicContact SD-CD2 3.67Å; M118-Y168 HydrophobicContact SD-CG 3.88Å; M118-I170 HydrophobicContact CE-CD1 4.22Å; M118-I170 HydrophobicContact CE-CG1 4.01Å; M118-C184 HydrophobicContact CE-CB 3.46Å; M118-C184 VanDerWaalsContact CE-CB 3.46Å; M118-C184 HydrophobicContact SD-CB 3.76Å; M118-A190 PolarHBondContact N-O 3.27Å; M118-F191 HydrophobicContact CB-CD1 3.56Å; M118-F191 HydrophobicContact CB-CE1 3.88Å; M118-F191 HydrophobicContact CB-CG 4.42Å; M118-F191 HydrophobicContact CG-CD1 3.96Å; M118-F191 HydrophobicContact CG-CE1 3.74Å; M118-F191 WeakPolarHBondContact O-CA 3.18Å; M118-L192 PolarHBondContact O-N 2.72Å
119L94.8Very high85.1Confident0 Ų049.7 Ų49.70%030%0.3CS..EExtended strand (participates in β ladder)trans-83.4134.1166.8-57.1-168.2000110.1K127 A131 V167 Y168 D169 W171 L192L119-K127 HydrophobicContact CB-CB 4.18Å; L119-K127 HydrophobicContact CB-CD 4.45Å; L119-K127 HydrophobicContact CB-CG 4.48Å; L119-K127 HydrophobicContact CD1-CB 4.06Å; L119-K127 VanDerWaalsContact CD1-O 3.22Å; L119-K127 WeakPolarHBondContact CD1-O 3.26Å; L119-A131 HydrophobicContact CD1-CB 3.78Å; L119-V167 HydrophobicContact CD1-CG1 4.03Å; L119-V167 HydrophobicContact CD2-CG1 4.04Å; L119-V167 HydrophobicContact CG-CG1 3.8Å; L119-Y168 PolarHBondContact N-O 3.23Å; L119-D169 HydrophobicContact CD1-CB 4.49Å; L119-W171 VanDerWaalsContact O-CB 3.3Å; L119-W171 WeakPolarHBondContact O-CB 3.23Å; L119-L192 HydrophobicContact CD2-CB 3.88Å; L119-L192 HydrophobicContact CD2-CD1 3.72Å; L119-L192 HydrophobicContact CD2-CG 4.17Å
120V93.4Very high87.5Confident1 Ų144.8 Ų44.81%0.00626%0.259CS..EExtended strand (participates in β ladder)trans-142.4136.6-169.6168.10000109M118 W171 F191 L192 I193 V194 T209 L213M118-V120 HydrophobicContact CB-CG2 4.32Å; V120-W171 HydrophobicContact CB-CD2 4.19Å; V120-W171 HydrophobicContact CB-CE3 4.32Å; V120-W171 HydrophobicContact CG1-CD2 3.94Å; V120-W171 HydrophobicContact CG1-CE3 4.15Å; V120-W171 HydrophobicContact CG1-CH2 3.84Å; V120-W171 HydrophobicContact CG1-CZ2 3.68Å; V120-W171 HydrophobicContact CG1-CZ3 4.09Å; V120-W171 HydrophobicContact CG2-CD2 4.04Å; V120-W171 HydrophobicContact CG2-CE3 3.69Å; V120-W171 HydrophobicContact CG2-CZ3 3.94Å; V120-F191 HydrophobicContact CG2-CD1 4.06Å; V120-L192 PolarHBondContact N-O 2.86Å; V120-I193 HydrophobicContact CB-CG1 4.49Å; V120-I193 HydrophobicContact CG1-CG1 4.18Å; V120-I193 CarbonylContact O-C 3.53Å; V120-I193 VanDerWaalsContact O-CA 3.3Å; V120-I193 WeakPolarHBondContact O-CA 3.43Å; V120-V194 PolarHBondContact O-N 2.88Å; V120-T209 HydrophobicContact CG1-CG2 3.25Å; V120-L213 HydrophobicContact CG1-CD1 4.43Å; V120-L213 HydrophobicContact CG1-CD2 4.3Å; V120-L213 HydrophobicContact CG2-CD2 4.31Å
121G93.4Very high89.6Confident3 Ų338.4 Ų38.43%0.03123%0.229CC..  trans149171.8177.200000113.9K127 W171 E172G121-K127 PolarHBondContact O-NZ 3.43Å; G121-W171 VanDerWaalsContact N-CD1 3.32Å; G121-W171 PolarHBondContact O-NE1 3.05Å; G121-E172 VanDerWaalsContact O-OE1 3.04Å
122E92.9Very high91.5Very high66 Ų6629.4 Ų29.431%0.30819%0.193SC..SBendtrans-66.1169.7-177.7-65.4-66.3131.700113.7V125 K127 K205E122-V125 HydrophobicContact CB-CG1 4.26Å; E122-V125 VanDerWaalsContact O-CG1 3.26Å; E122-V125 WeakPolarHBondContact O-CG1 3.38Å; E122-V125 WeakPolarHBondContact O-CG2 3.49Å; E122-K127 PolarHBondContact O-NZ 3Å; E122-K205 HydrophobicContact CG-CB 3.62Å; E122-K205 HydrophobicContact CG-CG 3.81Å
123S91.9Very high92.9Very high88 Ų8828.4 Ų28.462%0.61519%0.188SC*.THydrogen-bonded Turntrans-81.1148.5-167.8-153.60000113.4V125 E172S123-V125 PolarHBondContact O-N 2.86Å; S123-E172 WeakPolarHBondContact CA-OE1 3.41Å; S123-E172 VanDerWaalsContact CA-OE2 3.25Å; S123-E172 WeakPolarHBondContact CA-OE2 3.47Å; S123-E172 VanDerWaalsContact CB-OE1 3.26Å; S123-E172 WeakPolarHBondContact CB-OE1 3.35Å; S123-E172 VanDerWaalsContact CB-OE2 3.26Å; S123-E172 WeakPolarHBondContact CB-OE2 3.19Å; S123-E172 PolarHBondContact N-OE1 2.55Å; S123-E172 PolarHBondContact OG-OE2 3.26Å
124G93.4Very high93.5Very high52 Ų5227.2 Ų27.254%0.53617%0.173SC..THydrogen-bonded Turntrans69.14.1-175.300000115.5G126 K230G124-G126 PolarHBondContact O-N 3.15Å; G124-K230 WeakPolarHBondContact O-CE 3.43Å; G124-K230 PolarHBondContact O-NZ 3.07Å
125V97.1Very high93.1Very high1 Ų124.1 Ų24.11%0.00616%0.164CC..SBendtrans-68.6-12.7175.6-56.90000113.6E122 S123 K127 V194 S202 N229E122-V125 HydrophobicContact CB-CG1 4.26Å; E122-V125 VanDerWaalsContact O-CG1 3.26Å; E122-V125 WeakPolarHBondContact O-CG1 3.38Å; E122-V125 WeakPolarHBondContact O-CG2 3.49Å; S123-V125 PolarHBondContact O-N 2.86Å; V125-K127 HydrophobicContact CG2-CD 4.36Å; V125-K127 HydrophobicContact CG2-CG 3.66Å; V125-V194 HydrophobicContact CB-CG1 4.33Å; V125-V194 HydrophobicContact CG2-CB 3.97Å; V125-V194 HydrophobicContact CG2-CG1 3.81Å; V125-S202 VanDerWaalsContact CG1-CB 3.48Å; V125-N229 PolarHBondContact O-ND2 3.3Å
126G95.7Very high92.4Very high12 Ų1225.1 Ų25.112%0.12418%0.175CC..SBendtrans94.832.6175.800000115.2G124 T129 L130G124-G126 PolarHBondContact O-N 3.15Å; G126-T129 PolarHBondContact O-N 3.23Å; G126-L130 WeakPolarHBondContact O-CB 3.08Å; G126-L130 PolarHBondContact O-N 3.3Å
127K95.1Very high90.8Very high7 Ų728.1 Ų28.13%0.0319%0.193CC..Hα-helixtrans-59.9-53.1175.2-56.7179.5-68.6-790111.3L119 G121 E122 V125 T129 L130 A131 D169 E172 V194L119-K127 HydrophobicContact CB-CB 4.18Å; L119-K127 HydrophobicContact CB-CD 4.45Å; L119-K127 HydrophobicContact CB-CG 4.48Å; L119-K127 HydrophobicContact CD1-CB 4.06Å; L119-K127 VanDerWaalsContact CD1-O 3.22Å; L119-K127 WeakPolarHBondContact CD1-O 3.26Å; G121-K127 PolarHBondContact O-NZ 3.43Å; E122-K127 PolarHBondContact O-NZ 3Å; V125-K127 HydrophobicContact CG2-CD 4.36Å; V125-K127 HydrophobicContact CG2-CG 3.66Å; K127-T129 VanDerWaalsContact C-N 3.32Å; K127-T129 PolarHBondContact O-N 3.29Å; K127-L130 CarbonylContact O-C 3.59Å; K127-L130 WeakPolarHBondContact O-CA 3.39Å; K127-L130 WeakPolarHBondContact O-CB 3.43Å; K127-L130 PolarHBondContact O-N 3.45Å; K127-A131 PolarHBondContact O-N 3.18Å; K127-D169 WeakPolarHBondContact CB-OD1 3.21Å; K127-E172 IonicContact NZ-OE1 2.84Å; K127-E172 PolarHBondContact NZ-OE1 3.42Å; K127-E172 IonicContact NZ-OE2 2.87Å; K127-E172 PolarHBondContact NZ-OE2 3.36Å; K127-V194 HydrophobicContact CG-CB 4.17Å; K127-V194 HydrophobicContact CG-CG2 4.26Å
128S92.9Very high88.8Confident68 Ų6835.4 Ų35.448%0.47623%0.227SC..Hα-helixtrans-58.6-39.8176.7-33.60000113.3A131 G132 D169S128-A131 PolarHBondContact O-N 3.24Å; S128-G132 PolarHBondContact O-N 3.11Å; S128-D169 WeakPolarHBondContact CA-OD2 3.23Å; S128-D169 WeakPolarHBondContact CB-OD2 3.19Å; S128-D169 PolarHBondContact N-OD1 3.46Å; S128-D169 PolarHBondContact N-OD2 2.85Å; S128-D169 VanDerWaalsContact N-OD2 3.16Å; S128-D169 PolarHBondContact OG-OD2 3Å
129T93.9Very high86.3Confident77 Ų7737.9 Ų37.947%0.47226%0.255SS..Hα-helixtrans-62.2-45.1174.3-42.10000110.8G126 K127 G132 T133 A260G126-T129 PolarHBondContact O-N 3.23Å; K127-T129 VanDerWaalsContact C-N 3.32Å; K127-T129 PolarHBondContact O-N 3.29Å; T129-G132 PolarHBondContact O-N 3.18Å; T129-T133 VanDerWaalsContact O-CB 3.31Å; T129-T133 WeakPolarHBondContact O-CB 3.13Å; T129-T133 PolarHBondContact O-N 3.21Å; T129-T133 PolarHBondContact O-OG1 3.33Å; T129-A260 HydrophobicContact CG2-CB 3.79Å
130L95.3Very high83.8Confident0 Ų046.4 Ų46.40%030%0.301CS..Hα-helixtrans-65.8-37.6178.6-171.967000112.3G126 K127 F134 V194 V227 A260 T266 L269 F270G126-L130 WeakPolarHBondContact O-CB 3.08Å; G126-L130 PolarHBondContact O-N 3.3Å; K127-L130 CarbonylContact O-C 3.59Å; K127-L130 WeakPolarHBondContact O-CA 3.39Å; K127-L130 WeakPolarHBondContact O-CB 3.43Å; K127-L130 PolarHBondContact O-N 3.45Å; L130-F134 PolarHBondContact O-N 3.39Å; L130-V194 HydrophobicContact CD2-CG2 4.21Å; L130-V227 HydrophobicContact CD2-CG1 4.37Å; L130-A260 HydrophobicContact CB-CB 4.17Å; L130-A260 HydrophobicContact CD1-CB 4.13Å; L130-T266 HydrophobicContact CD1-CG2 3.78Å; L130-L269 HydrophobicContact CD1-CD2 4.19Å; L130-L269 HydrophobicContact CD2-CD2 3.75Å; L130-L269 HydrophobicContact CG-CD2 4.36Å; L130-F270 HydrophobicContact CD1-CE2 4.44Å; L130-F270 HydrophobicContact CG-CE2 4.37Å; L130-F270 HydrophobicContact CG-CZ 4.15Å
131A93.7Very high81.3Confident0 Ų050.5 Ų50.50%033%0.329CS..Hα-helixtrans-66.5-47.317400000112.2L119 K127 S128 F134 G135 Y152 V167 D169L119-A131 HydrophobicContact CD1-CB 3.78Å; K127-A131 PolarHBondContact O-N 3.18Å; S128-A131 PolarHBondContact O-N 3.24Å; A131-F134 CarbonylContact O-C 3.59Å; A131-F134 WeakPolarHBondContact O-CA 3.38Å; A131-F134 WeakPolarHBondContact O-CB 3.45Å; A131-F134 PolarHBondContact O-N 3.46Å; A131-F134 VanDerWaalsContact O-N 3.1Å; A131-G135 PolarHBondContact O-N 2.96Å; A131-Y152 HydrophobicContact CB-CD1 4.48Å; A131-Y152 HydrophobicContact CB-CD2 3.57Å; A131-Y152 HydrophobicContact CB-CE1 4.5Å; A131-Y152 HydrophobicContact CB-CE2 3.63Å; A131-Y152 HydrophobicContact CB-CG 4.05Å; A131-Y152 WeakPolarHBondContact O-CD1 3.38Å; A131-V167 HydrophobicContact CB-CG1 4.29Å; A131-D169 HydrophobicContact CB-CB 4.17Å
132G90.4Very high78.8Confident10 Ų1055.4 Ų55.410%0.10337%0.369CS..Hα-helixtrans-63.8-40.4176.100000113.1S128 T129 F134 G135 G136 L137S128-G132 PolarHBondContact O-N 3.11Å; T129-G132 PolarHBondContact O-N 3.18Å; G132-F134 VanDerWaalsContact C-N 3.28Å; G132-F134 PolarHBondContact O-N 3.06Å; G132-G135 PolarHBondContact O-N 3.38Å; G132-G136 PolarHBondContact O-N 3.28Å; G132-L137 PolarHBondContact O-N 3.38Å; G132-L137 VanDerWaalsContact O-N 3.07Å
133T90Very high76.3Confident19 Ų1960 Ų6012%0.11739%0.391CS..Hα-helixtrans-57.6-41170.2-68.10000111.4T129 A260 H263 T266T129-T133 VanDerWaalsContact O-CB 3.31Å; T129-T133 WeakPolarHBondContact O-CB 3.13Å; T129-T133 PolarHBondContact O-N 3.21Å; T129-T133 PolarHBondContact O-OG1 3.33Å; T133-A260 PolarHBondContact OG1-O 3.29Å; T133-H263 WeakPolarHBondContact CG2-ND1 3.49Å; T133-T266 HydrophobicContact CG2-CG2 3.99Å
134F90.1Very high74.1Confident12 Ų1264.9 Ų64.95%0.05340%0.404CS..Hα-helixtrans-67.9-48.1175.1175.1-102.2000112.5L130 A131 G132 G136 R154 I156 L165 V167 F270L130-F134 PolarHBondContact O-N 3.39Å; A131-F134 CarbonylContact O-C 3.59Å; A131-F134 WeakPolarHBondContact O-CA 3.38Å; A131-F134 WeakPolarHBondContact O-CB 3.45Å; A131-F134 PolarHBondContact O-N 3.46Å; A131-F134 VanDerWaalsContact O-N 3.1Å; G132-F134 VanDerWaalsContact C-N 3.28Å; G132-F134 PolarHBondContact O-N 3.06Å; F134-G136 PolarHBondContact O-N 3.43Å; F134-G136 VanDerWaalsContact O-N 3.14Å; F134-R154 HydrophobicContact CD1-CB 4.44Å; F134-R154 HydrophobicContact CE1-CB 3.64Å; F134-R154 HydrophobicContact CE2-CB 4.33Å; F134-R154 HydrophobicContact CZ-CB 3.57Å; F134-R154 WeakPolarHBondContact O-CD 3.29Å; F134-R154 PolarHBondContact O-NH1 3.36Å; F134-I156 HydrophobicContact CE2-CG2 4.15Å; F134-L165 HydrophobicContact CE1-CB 4.2Å; F134-L165 HydrophobicContact CE2-CB 4.39Å; F134-L165 HydrophobicContact CE2-CD1 4.07Å; F134-L165 HydrophobicContact CZ-CB 3.53Å; F134-L165 HydrophobicContact CZ-CD1 4.01Å; F134-L165 HydrophobicContact CZ-CG 4.46Å; F134-V167 HydrophobicContact CD1-CB 4.05Å; F134-V167 HydrophobicContact CD1-CG2 3.47Å; F134-V167 VanDerWaalsContact CD1-CG2 3.47Å; F134-V167 HydrophobicContact CE1-CB 4.32Å; F134-V167 HydrophobicContact CE1-CG2 3.52Å; F134-V167 HydrophobicContact CG-CG2 4.11Å; F134-V167 HydrophobicContact CZ-CG2 4.19Å; F134-F270 HydrophobicContact CB-CD2 4.05Å; F134-F270 HydrophobicContact CB-CE1 4.41Å; F134-F270 HydrophobicContact CB-CE2 3.54Å; F134-F270 HydrophobicContact CB-CZ 3.73Å; F134-F270 HydrophobicContact CD2-CB 4.03Å; F134-F270 AromaticContact CD2-CD1 3.97Å; F134-F270 HydrophobicContact CD2-CD1 3.97Å; F134-F270 AromaticContact CD2-CD2 3.36Å; F134-F270 HydrophobicContact CD2-CD2 3.36Å; F134-F270 HydrophobicContact CD2-CE1 4.3Å; F134-F270 AromaticContact CD2-CE2 3.78Å; F134-F270 HydrophobicContact CD2-CE2 3.78Å; F134-F270 AromaticContact CD2-CG 3.49Å; F134-F270 HydrophobicContact CD2-CG 3.49Å; F134-F270 VanDerWaalsContact CD2-CG 3.49Å; F134-F270 HydrophobicContact CD2-CZ 4.22Å; F134-F270 HydrophobicContact CE2-CB 3.94Å; F134-F270 HydrophobicContact CE2-CD1 4.24Å; F134-F270 HydrophobicContact CE2-CD2 4.15Å; F134-F270 AromaticContact CE2-CG 3.84Å; F134-F270 HydrophobicContact CE2-CG 3.84Å; F134-F270 HydrophobicContact CG-CD1 4.35Å; F134-F270 AromaticContact CG-CD2 3.98Å; F134-F270 HydrophobicContact CG-CD2 3.98Å; F134-F270 HydrophobicContact CG-CE1 4.24Å; F134-F270 AromaticContact CG-CE2 3.91Å; F134-F270 HydrophobicContact CG-CE2 3.91Å; F134-F270 HydrophobicContact CG-CG 4.24Å; F134-F270 HydrophobicContact CG-CZ 4.03Å
135G84.9Confident71.8Confident29 Ų2966.1 Ų66.130%0.29940%0.402SS..Hα-helixtrans-64.7-12.8179.200000114.5A131 G132A131-G135 PolarHBondContact O-N 2.96Å; G132-G135 PolarHBondContact O-N 3.38Å
136G77.7Confident69.5Low24 Ų2475.9 Ų75.925%0.24745%0.448CS..THydrogen-bonded Turntrans86.723.2177.100000114.3G132 F134 Q138G132-G136 PolarHBondContact O-N 3.28Å; F134-G136 PolarHBondContact O-N 3.43Å; F134-G136 VanDerWaalsContact O-N 3.14Å; G136-Q138 PolarHBondContact O-N 3.31Å
137L61.3Low67.3Low113 Ų11378.5 Ų78.559%0.59246%0.459SS*.  trans-68.324.9-179.7-70.5-179000115.2G132 Y152G132-L137 PolarHBondContact O-N 3.38Å; G132-L137 VanDerWaalsContact O-N 3.07Å; L137-Y152 HydrophobicContact CD1-CE1 3.79Å
138Q53.4Low65.5Low153 Ų15382.4 Ų82.472%0.71549%0.485SS*.SBendtrans-146.496.3172-102.9160.918.700109.7G136G136-Q138 PolarHBondContact O-N 3.31Å
139G42.1Very low64.4Low61 Ų6187.5 Ų87.563%0.62950%0.501SS*.SBendtrans140.382.3174.700000114S141G139-S141 VanDerWaalsContact C-N 3.34Å; G139-S141 PolarHBondContact O-N 3.15Å
140D41.9Very low63.8Low179 Ų17985.7 Ų85.796%0.95749%0.489SS*.  trans28.648.6156.9-64-6.2000119.4
141S39.8Very low63.4Low87 Ų8786.8 Ų86.861%0.60850%0.496SS*.  trans-113.6106.1161.9650000110G139 H143G139-S141 VanDerWaalsContact C-N 3.34Å; G139-S141 PolarHBondContact O-N 3.15Å; S141-H143 PolarHBondContact O-N 3.28Å
142A40.5Very low63.3Low105 Ų10588.6 Ų88.687%0.86850%0.503SS*.  trans-75.247-17600000113.8
143H41.8Very low63.3Low164 Ų16492.9 Ų92.976%0.75952%0.52SS*.  trans-123.893.5168.5-71.1-63.5000107.7S141 P145S141-H143 PolarHBondContact O-N 3.28Å; H143-P145 WeakPolarHBondContact O-CD 3.21Å
144E45.5Very low63.4Low189 Ų18997.5 Ų97.588%0.88354%0.535SS*.  trans-56.9123.4158-72.5-175.2141.600107.2
145P44.8Very low63.5Low79 Ų79104.4 Ų104.451%0.51356%0.561SS.*  trans-68.4140.9173.4-11.926.4000109.1H143 N147H143-P145 WeakPolarHBondContact O-CD 3.21Å; P145-N147 HydrophobicContact CB-CB 4.01Å; P145-N147 WeakPolarHBondContact CB-ND2 3.38Å; P145-N147 PolarHBondContact O-N 3.33Å
146E47.7Very low63.9Low205 Ų205104.5 Ų104.596%0.95856%0.555SS**SBendtrans-69.826.7168.3-58.3178146.900112.3
147N50.7Low64.6Low68 Ų68109.1 Ų109.136%0.36457%0.571SS.*SBendtrans-87.2146.8-176.3-69.2-22.6000110.5P145 T151P145-N147 HydrophobicContact CB-CB 4.01Å; P145-N147 WeakPolarHBondContact CB-ND2 3.38Å; P145-N147 PolarHBondContact O-N 3.33Å; N147-T151 WeakPolarHBondContact CB-O 3.12Å
148P57.9Low66.1Low88 Ų88103.8 Ų103.857%0.57154%0.543SS*.  trans-59.2143.1169.726.2-33.1000110.1D150 T151P148-D150 PolarHBondContact O-N 2.69Å; P148-T151 PolarHBondContact O-N 3.11Å
149E68.9Low68Low175 Ų175100.7 Ų100.782%0.81853%0.531SS*.THydrogen-bonded Turntrans-52.5-18.7-164.9-60-177.1164.400115.5Y152E149-Y152 PolarHBondContact O-OH 3.43Å; E149-Y152 VanDerWaalsContact O-OH 3.06Å
150D80.8Confident70.4Confident39 Ų39107 Ų10721%0.20954%0.542CS..THydrogen-bonded Turntrans-11211.7-177.5-49.1-68.7000114.7P148 D169 I170 Q173P148-D150 PolarHBondContact O-N 2.69Å; D150-D169 PolarHBondContact O-N 2.84Å; D150-I170 HydrophobicContact CB-CG2 3.48Å; D150-I170 VanDerWaalsContact CB-CG2 3.48Å; D150-Q173 PolarHBondContact OD2-NE2 3.45Å
151T88.2Confident72.7Confident24 Ų24104 Ų10415%0.14752%0.522CS..EExtended strand (participates in β ladder)trans-124.7127179.5-55.20000112.8N147 P148 V166 V167 Y168N147-T151 WeakPolarHBondContact CB-O 3.12Å; P148-T151 PolarHBondContact O-N 3.11Å; T151-V166 HydrophobicContact CG2-CG1 3.5Å; T151-V166 VanDerWaalsContact CG2-CG1 3.5Å; T151-V167 WeakPolarHBondContact CA-O 3.25Å; T151-Y168 HydrophobicContact CG2-CD1 3.91Å; T151-Y168 HydrophobicContact CG2-CE1 3.74Å; T151-Y168 WeakPolarHBondContact OG1-CD1 3.37Å
152Y90.6Very high75.3Confident37 Ų37105 Ų10515%0.14552%0.517CS..EExtended strand (participates in β ladder)trans-125.5103.3-169.6-58.7-99.9000109.9A131 L137 E149 V167 D169A131-Y152 HydrophobicContact CB-CD1 4.48Å; A131-Y152 HydrophobicContact CB-CD2 3.57Å; A131-Y152 HydrophobicContact CB-CE1 4.5Å; A131-Y152 HydrophobicContact CB-CE2 3.63Å; A131-Y152 HydrophobicContact CB-CG 4.05Å; A131-Y152 WeakPolarHBondContact O-CD1 3.38Å; L137-Y152 HydrophobicContact CD1-CE1 3.79Å; E149-Y152 PolarHBondContact O-OH 3.43Å; E149-Y152 VanDerWaalsContact O-OH 3.06Å; Y152-V167 PolarHBondContact N-O 3.46Å; Y152-V167 PolarHBondContact O-N 2.68Å; Y152-D169 HydrophobicContact CE2-CB 4.35Å
153E91.4Very high77.8Confident100 Ų100100.1 Ų100.147%0.46748%0.476SS..EExtended strand (participates in β ladder)trans-94.9134.2176.1-175.6169.7146.100111.7T164 L165 V166E153-T164 VanDerWaalsContact CD-CG2 3.46Å; E153-T164 HydrophobicContact CG-CG2 3.5Å; E153-T164 WeakPolarHBondContact OE1-CG2 3.32Å; E153-L165 CarbonylContact C-O 3.53Å; E153-L165 WeakPolarHBondContact CA-O 3.48Å; E153-V166 HydrophobicContact CB-CG2 4.36Å; E153-V166 HydrophobicContact CG-CG2 4.06Å
154R90.7Very high80.4Confident116 Ų11693.2 Ų93.244%0.43845%0.445SS..EExtended strand (participates in β ladder)trans-150.2139.4171-163.7169.7-174.7171.17.7112.3F134 I156 L165F134-R154 HydrophobicContact CD1-CB 4.44Å; F134-R154 HydrophobicContact CE1-CB 3.64Å; F134-R154 HydrophobicContact CE2-CB 4.33Å; F134-R154 HydrophobicContact CZ-CB 3.57Å; F134-R154 WeakPolarHBondContact O-CD 3.29Å; F134-R154 PolarHBondContact O-NH1 3.36Å; R154-I156 HydrophobicContact CG-CG2 4.34Å; R154-L165 PolarHBondContact N-O 2.86Å; R154-L165 PolarHBondContact O-N 3.32Å
155R92.8Very high82.7Confident157 Ų15784.2 Ų84.259%0.59240%0.403SS*.EExtended strand (participates in β ladder)trans-80.7127.4168-69.1167.771.5141.53.1109.7E162 V163 T164R155-E162 IonicContact CZ-OE1 2.76Å; R155-E162 IonicContact CZ-OE2 3.52Å; R155-E162 IonicContact NE-OE1 3.16Å; R155-E162 PolarHBondContact NE-OE1 2.94Å; R155-E162 IonicContact NE-OE2 2.67Å; R155-E162 IonicContact NH2-OE1 3.19Å; R155-E162 PolarHBondContact NH2-OE1 2.95Å; R155-E162 VanDerWaalsContact NH2-OE1 3.14Å; R155-E162 IonicContact NH2-OE2 2.71Å; R155-E162 PolarHBondContact NH2-OE2 2.84Å; R155-V163 CarbonylContact C-O 3.56Å; R155-V163 WeakPolarHBondContact CA-O 3.21Å; R155-T164 WeakPolarHBondContact CG-OG1 3.28Å
156I92.6Very high85Confident32 Ų3280.9 Ų80.916%0.16438%0.382CS..EExtended strand (participates in β ladder)trans-132.3156.4175.867.9159.5000110.8F134 R154 V158 V163 L165 E271F134-I156 HydrophobicContact CE2-CG2 4.15Å; R154-I156 HydrophobicContact CG-CG2 4.34Å; I156-V158 HydrophobicContact CD1-CG2 3.49Å; I156-V158 VanDerWaalsContact CD1-CG2 3.49Å; I156-V158 HydrophobicContact CG1-CG2 3.84Å; I156-V163 HydrophobicContact CG1-CG2 3.86Å; I156-V163 PolarHBondContact N-O 2.83Å; I156-V163 PolarHBondContact O-N 3.03Å; I156-L165 HydrophobicContact CD1-CD1 3.44Å; I156-L165 VanDerWaalsContact CD1-CD1 3.44Å; I156-L165 HydrophobicContact CG1-CD1 3.9Å; I156-E271 HydrophobicContact CD1-CG 4.16Å
157M92.9Very high87.2Confident121 Ų12171.1 Ų71.160%0.59634%0.336SS*.EExtended strand (participates in β ladder)trans-101.1114.5177.1-173.7179.8-68.800110
158V93.6Very high89.2Confident0 Ų069.4 Ų69.40%033%0.325CS..EExtended strand (participates in β ladder)trans-120.4118.3179.5-171.80000108.5I156 K160 E161 V163 E271 V274 R275 R278I156-V158 HydrophobicContact CD1-CG2 3.49Å; I156-V158 VanDerWaalsContact CD1-CG2 3.49Å; I156-V158 HydrophobicContact CG1-CG2 3.84Å; V158-K160 VanDerWaalsContact C-N 3.26Å; V158-K160 PolarHBondContact O-N 3.49Å; V158-E161 PolarHBondContact N-O 2.77Å; V158-E161 PolarHBondContact O-N 2.98Å; V158-E161 VanDerWaalsContact O-N 3.09Å; V158-E161 VanDerWaalsContact O-O 3.1Å; V158-V163 HydrophobicContact CG2-CG2 3.96Å; V158-E271 HydrophobicContact CG1-CB 4.24Å; V158-E271 HydrophobicContact CG2-CB 4.24Å; V158-E271 HydrophobicContact CG2-CG 4.07Å; V158-V274 HydrophobicContact CB-CB 4.44Å; V158-V274 HydrophobicContact CB-CG1 3.97Å; V158-V274 HydrophobicContact CG1-CB 4.2Å; V158-V274 HydrophobicContact CG1-CG1 3.93Å; V158-V274 HydrophobicContact CG2-CB 4.06Å; V158-V274 HydrophobicContact CG2-CG1 4Å; V158-V274 HydrophobicContact CG2-CG2 4.21Å; V158-R275 HydrophobicContact CG1-CG 3.86Å; V158-R278 PolarHBondContact O-NH1 3.46Å
159D92.9Very high90.7Very high88 Ų8865.7 Ų65.747%0.47130%0.3SS..THydrogen-bonded Turntrans57.835.8179.3-50-32.8000114E161 R275 R278D159-E161 PolarHBondContact O-N 3.37Å; D159-R275 VanDerWaalsContact CG-NE 3.27Å; D159-R275 IonicContact OD1-CZ 3.45Å; D159-R275 VanDerWaalsContact OD1-CZ 3.24Å; D159-R275 IonicContact OD1-NE 3.55Å; D159-R275 PolarHBondContact OD1-NE 3Å; D159-R275 IonicContact OD1-NH2 3.36Å; D159-R275 PolarHBondContact OD1-NH2 3.22Å; D159-R275 WeakPolarHBondContact OD2-CD 3.47Å; D159-R275 IonicContact OD2-NE 3.24Å; D159-R275 PolarHBondContact OD2-NE 2.79Å; D159-R278 IonicContact OD2-NH1 3.66Å
160K91.8Very high91.2Very high195 Ų19558.4 Ų58.485%0.84827%0.266SS*.THydrogen-bonded Turntrans71.63.4-175.7-48.1173-176.3175.40115.4V158V158-K160 VanDerWaalsContact C-N 3.26Å; V158-K160 PolarHBondContact O-N 3.49Å
161E92Very high91Very high115 Ų11558.1 Ų58.154%0.53726%0.263SS..EExtended strand (participates in β ladder)trans-101.2133.4170.7-72.7175.1-166.200109.8V158 D159 R278V158-E161 PolarHBondContact N-O 2.77Å; V158-E161 PolarHBondContact O-N 2.98Å; V158-E161 VanDerWaalsContact O-N 3.09Å; V158-E161 VanDerWaalsContact O-O 3.1Å; D159-E161 PolarHBondContact O-N 3.37Å; E161-R278 IonicContact OE2-CZ 2.77Å; E161-R278 IonicContact OE2-NE 3.82Å; E161-R278 PolarHBondContact OE2-NE 3.18Å; E161-R278 IonicContact OE2-NH1 2.83Å; E161-R278 IonicContact OE2-NH2 2.84Å; E161-R278 PolarHBondContact OE2-NH2 3.02Å
162E92.9Very high89.9Confident108 Ų10860.8 Ų60.851%0.50527%0.273SS..EExtended strand (participates in β ladder)trans-81.6134.3173.8-168.8-177-163.500110.7R155R155-E162 IonicContact CZ-OE1 2.76Å; R155-E162 IonicContact CZ-OE2 3.52Å; R155-E162 IonicContact NE-OE1 3.16Å; R155-E162 PolarHBondContact NE-OE1 2.94Å; R155-E162 IonicContact NE-OE2 2.67Å; R155-E162 IonicContact NH2-OE1 3.19Å; R155-E162 PolarHBondContact NH2-OE1 2.95Å; R155-E162 VanDerWaalsContact NH2-OE1 3.14Å; R155-E162 IonicContact NH2-OE2 2.71Å; R155-E162 PolarHBondContact NH2-OE2 2.84Å
163V94.4Very high88.3Confident2 Ų263.8 Ų63.81%0.01229%0.289CS..EExtended strand (participates in β ladder)trans-136.8142.2178.3-59.80000110.5F115 R155 I156 V158 V274F115-V163 HydrophobicContact CD2-CB 4.12Å; F115-V163 HydrophobicContact CD2-CG1 4.3Å; F115-V163 HydrophobicContact CD2-CG2 4.48Å; F115-V163 HydrophobicContact CE2-CB 4.16Å; F115-V163 HydrophobicContact CE2-CG1 3.83Å; R155-V163 CarbonylContact C-O 3.56Å; R155-V163 WeakPolarHBondContact CA-O 3.21Å; I156-V163 HydrophobicContact CG1-CG2 3.86Å; I156-V163 PolarHBondContact N-O 2.83Å; I156-V163 PolarHBondContact O-N 3.03Å; V158-V163 HydrophobicContact CG2-CG2 3.96Å; V163-V274 HydrophobicContact CG1-CG1 4.42Å; V163-V274 HydrophobicContact CG2-CG1 4.09Å; V163-V274 HydrophobicContact CG2-CG2 3.94Å
164T94.6Very high86.4Confident19 Ų1961.7 Ų61.712%0.11729%0.294CS..EExtended strand (participates in β ladder)trans-84.4127.8165.1-63.70000109.2G113 I114 F115 E153 R155 V166G113-T164 WeakPolarHBondContact O-CB 3.47Å; G113-T164 PolarHBondContact O-N 3.45Å; I114-T164 CarbonylContact C-O 3.25Å; I114-T164 WeakPolarHBondContact CA-O 3.3Å; I114-T164 HydrophobicContact CG1-CG2 4.4Å; I114-T164 HydrophobicContact CG2-CG2 4.22Å; F115-T164 PolarHBondContact N-O 3.09Å; E153-T164 VanDerWaalsContact CD-CG2 3.46Å; E153-T164 HydrophobicContact CG-CG2 3.5Å; E153-T164 WeakPolarHBondContact OE1-CG2 3.32Å; R155-T164 WeakPolarHBondContact CG-OG1 3.28Å; T164-V166 HydrophobicContact CG2-CG2 4.28Å
165L94.4Very high84.3Confident0 Ų064.9 Ų64.90%032%0.32CS..EExtended strand (participates in β ladder)trans-111.9128.5171.5-96.2171.3000109F115 V117 F134 E153 R154 I156 F270 V274F115-L165 HydrophobicContact CB-CD2 3.93Å; F115-L165 WeakPolarHBondContact O-CA 3.48Å; V117-L165 HydrophobicContact CB-CD2 4.43Å; V117-L165 HydrophobicContact CG2-CD2 3.36Å; F134-L165 HydrophobicContact CE1-CB 4.2Å; F134-L165 HydrophobicContact CE2-CB 4.39Å; F134-L165 HydrophobicContact CE2-CD1 4.07Å; F134-L165 HydrophobicContact CZ-CB 3.53Å; F134-L165 HydrophobicContact CZ-CD1 4.01Å; F134-L165 HydrophobicContact CZ-CG 4.46Å; E153-L165 CarbonylContact C-O 3.53Å; E153-L165 WeakPolarHBondContact CA-O 3.48Å; R154-L165 PolarHBondContact N-O 2.86Å; R154-L165 PolarHBondContact O-N 3.32Å; I156-L165 HydrophobicContact CD1-CD1 3.44Å; I156-L165 VanDerWaalsContact CD1-CD1 3.44Å; I156-L165 HydrophobicContact CG1-CD1 3.9Å; L165-F270 HydrophobicContact CD1-CB 4Å; L165-V274 HydrophobicContact CD1-CG2 3.68Å; L165-V274 HydrophobicContact CD2-CG2 3.9Å; L165-V274 HydrophobicContact CG-CG2 3.78Å
166V93.6Very high82.1Confident9 Ų961.9 Ų61.96%0.05533%0.328CS..EExtended strand (participates in β ladder)trans-111.1110173.8-173.40000108I114 F115 K116 V117 T151 E153 T164 Y168I114-V166 HydrophobicContact CG2-CG2 3.92Å; F115-V166 PolarHBondContact O-N 3.45Å; K116-V166 WeakPolarHBondContact CA-O 3.31Å; V117-V166 PolarHBondContact N-O 2.85Å; T151-V166 HydrophobicContact CG2-CG1 3.5Å; T151-V166 VanDerWaalsContact CG2-CG1 3.5Å; E153-V166 HydrophobicContact CB-CG2 4.36Å; E153-V166 HydrophobicContact CG-CG2 4.06Å; T164-V166 HydrophobicContact CG2-CG2 4.28Å; V166-Y168 HydrophobicContact CB-CE2 4.13Å; V166-Y168 HydrophobicContact CG1-CD2 4.26Å; V166-Y168 HydrophobicContact CG1-CE1 4.26Å; V166-Y168 HydrophobicContact CG1-CE2 3.6Å
167V93.9Very high80.1Confident0 Ų061 Ų610%033%0.328CS..EExtended strand (participates in β ladder)trans-99.3127.9-179178.60000109.6V117 L119 A131 F134 T151 Y152 F270V117-V167 HydrophobicContact CB-CG2 4.28Å; V117-V167 WeakPolarHBondContact O-CA 3.37Å; L119-V167 HydrophobicContact CD1-CG1 4.03Å; L119-V167 HydrophobicContact CD2-CG1 4.04Å; L119-V167 HydrophobicContact CG-CG1 3.8Å; A131-V167 HydrophobicContact CB-CG1 4.29Å; F134-V167 HydrophobicContact CD1-CB 4.05Å; F134-V167 HydrophobicContact CD1-CG2 3.47Å; F134-V167 VanDerWaalsContact CD1-CG2 3.47Å; F134-V167 HydrophobicContact CE1-CB 4.32Å; F134-V167 HydrophobicContact CE1-CG2 3.52Å; F134-V167 HydrophobicContact CG-CG2 4.11Å; F134-V167 HydrophobicContact CZ-CG2 4.19Å; T151-V167 WeakPolarHBondContact CA-O 3.25Å; Y152-V167 PolarHBondContact N-O 3.46Å; Y152-V167 PolarHBondContact O-N 2.68Å; V167-F270 HydrophobicContact CG1-CE1 4.19Å; V167-F270 HydrophobicContact CG2-CD1 3.97Å; V167-F270 HydrophobicContact CG2-CE1 3.59Å; V167-F270 HydrophobicContact CG2-CZ 4.44Å
168Y91.8Very high78.4Confident32 Ų3257.3 Ų57.313%0.12532%0.32CS..EExtended strand (participates in β ladder)trans-112.5127.7-177.9-64.6-90.2000111.2K116 V117 M118 L119 T151 V166K116-Y168 HydrophobicContact CB-CE2 3.93Å; K116-Y168 HydrophobicContact CD-CE2 3.98Å; K116-Y168 WeakPolarHBondContact CE-OH 3.4Å; K116-Y168 HydrophobicContact CG-CE2 3.92Å; K116-Y168 PolarHBondContact NZ-OH 3.41Å; V117-Y168 PolarHBondContact O-N 3.38Å; M118-Y168 HydrophobicContact CE-CG 4.13Å; M118-Y168 HydrophobicContact SD-CD2 3.67Å; M118-Y168 HydrophobicContact SD-CG 3.88Å; L119-Y168 PolarHBondContact N-O 3.23Å; T151-Y168 HydrophobicContact CG2-CD1 3.91Å; T151-Y168 HydrophobicContact CG2-CE1 3.74Å; T151-Y168 WeakPolarHBondContact OG1-CD1 3.37Å; V166-Y168 HydrophobicContact CB-CE2 4.13Å; V166-Y168 HydrophobicContact CG1-CD2 4.26Å; V166-Y168 HydrophobicContact CG1-CE1 4.26Å; V166-Y168 HydrophobicContact CG1-CE2 3.6Å
169D90.1Very high76.8Confident11 Ų1167.7 Ų67.76%0.05936%0.36CS..  trans-111.334.6-178.6-168.944000114.1L119 K127 S128 A131 D150 Y152 W171L119-D169 HydrophobicContact CD1-CB 4.49Å; K127-D169 WeakPolarHBondContact CB-OD1 3.21Å; S128-D169 WeakPolarHBondContact CA-OD2 3.23Å; S128-D169 WeakPolarHBondContact CB-OD2 3.19Å; S128-D169 PolarHBondContact N-OD1 3.46Å; S128-D169 PolarHBondContact N-OD2 2.85Å; S128-D169 VanDerWaalsContact N-OD2 3.16Å; S128-D169 PolarHBondContact OG-OD2 3Å; A131-D169 HydrophobicContact CB-CB 4.17Å; D150-D169 PolarHBondContact O-N 2.84Å; Y152-D169 HydrophobicContact CE2-CB 4.35Å; D169-W171 PolarHBondContact O-N 3.16Å
170I79.9Confident75.1Confident21 Ų2166.9 Ų66.911%0.10836%0.355CS..  trans-92.89.1-171.561177.1000114.9M118 D150 E172 L180 C184M118-I170 HydrophobicContact CE-CD1 4.22Å; M118-I170 HydrophobicContact CE-CG1 4.01Å; D150-I170 HydrophobicContact CB-CG2 3.48Å; D150-I170 VanDerWaalsContact CB-CG2 3.48Å; I170-E172 PolarHBondContact O-N 3Å; I170-E172 VanDerWaalsContact O-N 3.16Å; I170-L180 HydrophobicContact CB-CD2 4.33Å; I170-L180 HydrophobicContact CD1-CD1 3.8Å; I170-L180 HydrophobicContact CD1-CD2 3.97Å; I170-L180 HydrophobicContact CD1-CG 3.62Å; I170-C184 HydrophobicContact CD1-CB 4.15Å; I170-C184 WeakPolarHBondContact CD1-SG 3.45Å
171W75.4Confident73.9Confident34 Ų3461.1 Ų61.113%0.12933%0.328CS..THydrogen-bonded Turntrans-68.1-16-170-179.3-95.8000115L119 V120 G121 D169 R181 L185 T209 L213L119-W171 VanDerWaalsContact O-CB 3.3Å; L119-W171 WeakPolarHBondContact O-CB 3.23Å; V120-W171 HydrophobicContact CB-CD2 4.19Å; V120-W171 HydrophobicContact CB-CE3 4.32Å; V120-W171 HydrophobicContact CG1-CD2 3.94Å; V120-W171 HydrophobicContact CG1-CE3 4.15Å; V120-W171 HydrophobicContact CG1-CH2 3.84Å; V120-W171 HydrophobicContact CG1-CZ2 3.68Å; V120-W171 HydrophobicContact CG1-CZ3 4.09Å; V120-W171 HydrophobicContact CG2-CD2 4.04Å; V120-W171 HydrophobicContact CG2-CE3 3.69Å; V120-W171 HydrophobicContact CG2-CZ3 3.94Å; G121-W171 VanDerWaalsContact N-CD1 3.32Å; G121-W171 PolarHBondContact O-NE1 3.05Å; D169-W171 PolarHBondContact O-N 3.16Å; W171-R181 HydrophobicContact CE3-CG 4.09Å; W171-R181 VanDerWaalsContact CZ2-NH2 3.26Å; W171-R181 HydrophobicContact CZ3-CG 3.91Å; W171-L185 HydrophobicContact CZ3-CD2 4.37Å; W171-T209 HydrophobicContact CH2-CG2 4.33Å; W171-T209 HydrophobicContact CZ2-CG2 3.85Å; W171-L213 HydrophobicContact CH2-CD2 3.88Å; W171-L213 HydrophobicContact CZ3-CD2 3.96Å
172E66.7Low72.7Confident79 Ų7959.7 Ų59.737%0.36932%0.324SS..THydrogen-bonded Turntrans-120.56.1-174.4-64.1-162.9151.900115.7G121 S123 K127 I170 G174G121-E172 VanDerWaalsContact O-OE1 3.04Å; S123-E172 WeakPolarHBondContact CA-OE1 3.41Å; S123-E172 VanDerWaalsContact CA-OE2 3.25Å; S123-E172 WeakPolarHBondContact CA-OE2 3.47Å; S123-E172 VanDerWaalsContact CB-OE1 3.26Å; S123-E172 WeakPolarHBondContact CB-OE1 3.35Å; S123-E172 VanDerWaalsContact CB-OE2 3.26Å; S123-E172 WeakPolarHBondContact CB-OE2 3.19Å; S123-E172 PolarHBondContact N-OE1 2.55Å; S123-E172 PolarHBondContact OG-OE2 3.26Å; K127-E172 IonicContact NZ-OE1 2.84Å; K127-E172 PolarHBondContact NZ-OE1 3.42Å; K127-E172 IonicContact NZ-OE2 2.87Å; K127-E172 PolarHBondContact NZ-OE2 3.36Å; I170-E172 PolarHBondContact O-N 3Å; I170-E172 VanDerWaalsContact O-N 3.16Å; E172-G174 PolarHBondContact O-N 3.16Å
173Q56.5Low71.4Confident101 Ų10157.5 Ų57.547%0.47231%0.313SS..  trans-67.6121.7165.4-74.5-176.8-400108.7D150D150-Q173 PolarHBondContact OD2-NE2 3.45Å
174G51.7Low70Confident56 Ų5657.9 Ų57.958%0.57732%0.316SS*.  trans-70.3-165-167.500000115.1E172 A176 G177E172-G174 PolarHBondContact O-N 3.16Å; G174-A176 PolarHBondContact O-N 3.01Å; G174-G177 PolarHBondContact O-N 2.9Å
175D46.8Very low68.9Low183 Ų18357.6 Ų57.698%0.97931%0.314SS*.THydrogen-bonded Turntrans-23.6-23.4-163.6-60.5-21.8000122.1G177D175-G177 PolarHBondContact O-N 3.02Å
176A45.1Very low67.9Low93 Ų9363.6 Ų63.677%0.76934%0.342SS*.THydrogen-bonded Turntrans-70-18.416300000113.2G174 G178G174-A176 PolarHBondContact O-N 3.01Å; A176-G178 PolarHBondContact O-N 2.88Å
177G50.3Low67.3Low15 Ų1565.4 Ų65.416%0.15535%0.353CS..Hα-helixtrans-70.73.8-167.900000117.2G174 D175 R181G174-G177 PolarHBondContact O-N 2.9Å; D175-G177 PolarHBondContact O-N 3.02Å; G177-R181 WeakPolarHBondContact O-CB 3.5Å; G177-R181 PolarHBondContact O-N 3.34Å
178G58.8Low67.1Low43 Ų4365.5 Ų65.544%0.44335%0.354SS..Hα-helixtrans-58.8-62.517700000112.3A176 L180 R181 D182A176-G178 PolarHBondContact O-N 2.88Å; G178-L180 PolarHBondContact O-N 3.45Å; G178-R181 PolarHBondContact O-N 3.45Å; G178-D182 WeakPolarHBondContact O-CB 3.29Å; G178-D182 VanDerWaalsContact O-CG 3.3Å; G178-D182 PolarHBondContact O-N 3.07Å
179W58.7Low67.1Low218 Ų21865.8 Ų65.883%0.82636%0.358SS*.Hα-helixtrans-58.7-51.2178.9-176.7-47.6000111.7R181 D182 H183W179-R181 VanDerWaalsContact C-N 3.28Å; W179-R181 PolarHBondContact O-N 2.82Å; W179-D182 PolarHBondContact O-N 3.07Å; W179-D182 VanDerWaalsContact O-N 3.14Å; W179-H183 WeakPolarHBondContact O-CB 3.45Å; W179-H183 PolarHBondContact O-N 3.35Å
180L58.7Low67.4Low71 Ų7165.3 Ų65.337%0.37236%0.355SS..Hα-helixtrans-60.5-41.1-174.2-178.959.3000111.4I170 G178 C184I170-L180 HydrophobicContact CB-CD2 4.33Å; I170-L180 HydrophobicContact CD1-CD1 3.8Å; I170-L180 HydrophobicContact CD1-CD2 3.97Å; I170-L180 HydrophobicContact CD1-CG 3.62Å; G178-L180 PolarHBondContact O-N 3.45Å; L180-C184 WeakPolarHBondContact O-CB 3.34Å; L180-C184 PolarHBondContact O-N 3.12Å
181R64.9Low68.1Low73 Ų7364.4 Ų64.428%0.27535%0.35SS..Hα-helixtrans-65.2-46.9174.1-174164.9170.9-1006.2111.4W171 G177 G178 W179 H183 C184 L185W171-R181 HydrophobicContact CE3-CG 4.09Å; W171-R181 VanDerWaalsContact CZ2-NH2 3.26Å; W171-R181 HydrophobicContact CZ3-CG 3.91Å; G177-R181 WeakPolarHBondContact O-CB 3.5Å; G177-R181 PolarHBondContact O-N 3.34Å; G178-R181 PolarHBondContact O-N 3.45Å; W179-R181 VanDerWaalsContact C-N 3.28Å; W179-R181 PolarHBondContact O-N 2.82Å; R181-H183 VanDerWaalsContact C-N 3.34Å; R181-H183 PolarHBondContact O-N 2.67Å; R181-C184 PolarHBondContact O-N 3.39Å; R181-L185 HydrophobicContact CG-CD1 4.39Å; R181-L185 WeakPolarHBondContact O-CB 3.44Å; R181-L185 WeakPolarHBondContact O-CG 3.41Å; R181-L185 PolarHBondContact O-N 3.31Å
182D67.9Low69.2Low86 Ų8662.8 Ų62.846%0.4634%0.344SS..Hα-helixtrans-63.2-38.4178-69.9-17.1000112.4G178 W179 L185 Q186G178-D182 WeakPolarHBondContact O-CB 3.29Å; G178-D182 VanDerWaalsContact O-CG 3.3Å; G178-D182 PolarHBondContact O-N 3.07Å; W179-D182 PolarHBondContact O-N 3.07Å; W179-D182 VanDerWaalsContact O-N 3.14Å; D182-L185 WeakPolarHBondContact O-CB 3.21Å; D182-L185 PolarHBondContact O-N 3.26Å; D182-Q186 VanDerWaalsContact O-CG 3.3Å; D182-Q186 WeakPolarHBondContact O-CG 3.5Å; D182-Q186 PolarHBondContact O-N 2.96Å
183H65.9Low70.6Confident61 Ų6159.1 Ų59.128%0.28233%0.327SS..Hα-helixtrans-65.7-39.1174.4-174.674.5000112.4W179 R181 Q186 T187W179-H183 WeakPolarHBondContact O-CB 3.45Å; W179-H183 PolarHBondContact O-N 3.35Å; R181-H183 VanDerWaalsContact C-N 3.34Å; R181-H183 PolarHBondContact O-N 2.67Å; H183-Q186 WeakPolarHBondContact O-CB 3.37Å; H183-Q186 PolarHBondContact O-N 3.48Å; H183-T187 WeakPolarHBondContact O-CB 3.49Å; H183-T187 WeakPolarHBondContact O-CG2 3.37Å; H183-T187 PolarHBondContact O-N 2.94Å; H183-T187 PolarHBondContact O-OG1 3.03Å
184C64.6Low72.6Confident10 Ų1054.4 Ų54.47%0.06831%0.305CS..Hα-helixtrans-75.2-30.1175.6-77.60000113.4M118 I170 L180 R181 Q186 T187 G188M118-C184 HydrophobicContact CE-CB 3.46Å; M118-C184 VanDerWaalsContact CE-CB 3.46Å; M118-C184 HydrophobicContact SD-CB 3.76Å; I170-C184 HydrophobicContact CD1-CB 4.15Å; I170-C184 WeakPolarHBondContact CD1-SG 3.45Å; L180-C184 WeakPolarHBondContact O-CB 3.34Å; L180-C184 PolarHBondContact O-N 3.12Å; R181-C184 PolarHBondContact O-N 3.39Å; C184-Q186 VanDerWaalsContact C-N 3.26Å; C184-Q186 PolarHBondContact O-N 3.36Å; C184-T187 PolarHBondContact O-N 3.28Å; C184-G188 PolarHBondContact O-N 2.86Å
185L70.3Confident74.8Confident13 Ų1351.7 Ų51.77%0.06828%0.278CS..Hα-helixtrans-61.4-36.7164.8-69.7173.9000111W171 R181 D182 F191 L213 R217W171-L185 HydrophobicContact CZ3-CD2 4.37Å; R181-L185 HydrophobicContact CG-CD1 4.39Å; R181-L185 WeakPolarHBondContact O-CB 3.44Å; R181-L185 WeakPolarHBondContact O-CG 3.41Å; R181-L185 PolarHBondContact O-N 3.31Å; D182-L185 WeakPolarHBondContact O-CB 3.21Å; D182-L185 PolarHBondContact O-N 3.26Å; L185-F191 HydrophobicContact CD2-CE1 3.92Å; L185-F191 HydrophobicContact CD2-CZ 4.42Å; L185-L213 HydrophobicContact CD2-CD2 3.28Å; L185-R217 VanDerWaalsContact O-CD 3.24Å; L185-R217 WeakPolarHBondContact O-CD 3.46Å; L185-R217 PolarHBondContact O-NE 2.89Å; L185-R217 PolarHBondContact O-NH1 3.05Å; L185-R217 PolarHBondContact O-NH2 2.67Å
186Q74.5Confident77.3Confident127 Ų12743 Ų4359%0.59323%0.231SC*.Hα-helixtrans-74.4-35.9176.2-72.8172.31900113.9D182 H183 C184 R217D182-Q186 VanDerWaalsContact O-CG 3.3Å; D182-Q186 WeakPolarHBondContact O-CG 3.5Å; D182-Q186 PolarHBondContact O-N 2.96Å; H183-Q186 WeakPolarHBondContact O-CB 3.37Å; H183-Q186 PolarHBondContact O-N 3.48Å; C184-Q186 VanDerWaalsContact C-N 3.26Å; C184-Q186 PolarHBondContact O-N 3.36Å; Q186-R217 PolarHBondContact O-NH1 3.21Å
187T81Confident79.9Confident46 Ų4638.6 Ų38.628%0.28220%0.195SC..Hα-helixtrans-103.9-15.4-169.255.70000116.2H183 C184H183-T187 WeakPolarHBondContact O-CB 3.49Å; H183-T187 WeakPolarHBondContact O-CG2 3.37Å; H183-T187 PolarHBondContact O-N 2.94Å; H183-T187 PolarHBondContact O-OG1 3.03Å; C184-T187 PolarHBondContact O-N 3.28Å
188G89.3Confident82.2Confident2 Ų239.2 Ų39.22%0.02120%0.195CC..  trans-65.3140.3176.900000112.8C184 R217C184-G188 PolarHBondContact O-N 2.86Å; G188-R217 PolarHBondContact O-NH1 2.93Å; G188-R217 PolarHBondContact O-NH2 2.88Å
189D93Very high84.1Confident39 Ų3939.3 Ų39.321%0.20919%0.186CC..SBendtrans-85.2-32.4171.2-70.8-71.6000112.1F115 K116 P223 I277 R281F115-D189 WeakPolarHBondContact CA-OD2 3.24Å; K116-D189 PolarHBondContact N-OD2 3.2Å; K116-D189 WeakPolarHBondContact O-CA 3.33Å; K116-D189 WeakPolarHBondContact O-CB 3.47Å; K116-D189 PolarHBondContact O-N 2.94Å; D189-P223 WeakPolarHBondContact O-CD 3.49Å; D189-P223 VanDerWaalsContact O-CG 3.3Å; D189-P223 WeakPolarHBondContact O-CG 3.49Å; D189-I277 HydrophobicContact CB-CD1 3.65Å; D189-I277 HydrophobicContact CB-CG1 3.97Å; D189-I277 HydrophobicContact CB-CG2 4.14Å; D189-R281 IonicContact OD1-CZ 3.91Å; D189-R281 IonicContact OD1-NE 2.67Å; D189-R281 IonicContact OD1-NH2 2.84Å; D189-R281 PolarHBondContact OD1-NH2 2.83Å; D189-R281 IonicContact OD2-NH2 3.73Å
190A94.9Very high85.9Confident0 Ų033.3 Ų33.30%016%0.163CC..EExtended strand (participates in β ladder)trans-143.2158.7175.200000112.6K116 V117 M118 P223 A273 I277K116-A190 PolarHBondContact O-N 2.92Å; K116-A190 VanDerWaalsContact O-N 3.16Å; V117-A190 HydrophobicContact CG2-CB 4.33Å; M118-A190 PolarHBondContact N-O 3.27Å; A190-P223 WeakPolarHBondContact CA-O 3.38Å; A190-P223 HydrophobicContact CB-CB 3.73Å; A190-P223 HydrophobicContact CB-CG 4.35Å; A190-A273 HydrophobicContact CB-CB 4.34Å; A190-I277 HydrophobicContact CB-CD1 3.8Å; A190-I277 HydrophobicContact CB-CG1 3.81Å
191F95.4Very high87.8Confident2 Ų239.7 Ų39.71%0.00918%0.182CC..EExtended strand (participates in β ladder)trans-124.2134.3174.9-53.8-95.3000111.3M118 V120 L185 L213 L222 P223 V224 I225M118-F191 HydrophobicContact CB-CD1 3.56Å; M118-F191 HydrophobicContact CB-CE1 3.88Å; M118-F191 HydrophobicContact CB-CG 4.42Å; M118-F191 HydrophobicContact CG-CD1 3.96Å; M118-F191 HydrophobicContact CG-CE1 3.74Å; M118-F191 WeakPolarHBondContact O-CA 3.18Å; V120-F191 HydrophobicContact CG2-CD1 4.06Å; L185-F191 HydrophobicContact CD2-CE1 3.92Å; L185-F191 HydrophobicContact CD2-CZ 4.42Å; F191-L213 HydrophobicContact CB-CD1 3.77Å; F191-L213 HydrophobicContact CD1-CD1 4.05Å; F191-L213 HydrophobicContact CD1-CD2 4.02Å; F191-L213 HydrophobicContact CD2-CD1 4.43Å; F191-L213 HydrophobicContact CE1-CD2 4.31Å; F191-L213 HydrophobicContact CG-CD1 3.82Å; F191-L222 HydrophobicContact CD2-CB 4.49Å; F191-L222 HydrophobicContact CD2-CD1 4.33Å; F191-L222 HydrophobicContact CE2-CB 4.41Å; F191-L222 HydrophobicContact CE2-CD1 3.75Å; F191-L222 HydrophobicContact CE2-CD2 4.27Å; F191-L222 HydrophobicContact CE2-CG 4.37Å; F191-L222 HydrophobicContact CZ-CD1 4.49Å; F191-P223 PolarHBondContact N-O 2.71Å; F191-V224 HydrophobicContact CB-CG2 4.36Å; F191-V224 HydrophobicContact CD2-CG2 4.42Å; F191-V224 WeakPolarHBondContact O-CA 3.46Å; F191-I225 PolarHBondContact O-N 3.37Å; F191-I225 VanDerWaalsContact O-N 3.09Å
192L97.5Very high89.4Confident0 Ų036.3 Ų36.30%017%0.17CC..EExtended strand (participates in β ladder)trans-107.4104.7172.9-52.8-173.8000107.4V117 M118 L119 V120 V194 I225 V227 L269 F270 A273V117-L192 HydrophobicContact CG1-CD1 3.64Å; V117-L192 HydrophobicContact CG1-CD2 4.35Å; V117-L192 HydrophobicContact CG1-CG 3.63Å; M118-L192 PolarHBondContact O-N 2.72Å; L119-L192 HydrophobicContact CD2-CB 3.88Å; L119-L192 HydrophobicContact CD2-CD1 3.72Å; L119-L192 HydrophobicContact CD2-CG 4.17Å; V120-L192 PolarHBondContact N-O 2.86Å; L192-V194 PolarHBondContact O-N 2.86Å; L192-I225 WeakPolarHBondContact CA-O 3.46Å; L192-I225 HydrophobicContact CD2-CB 3.84Å; L192-I225 HydrophobicContact CD2-CD1 4.07Å; L192-I225 HydrophobicContact CD2-CG1 4.1Å; L192-V227 HydrophobicContact CB-CG2 4.08Å; L192-L269 HydrophobicContact CD1-CD1 3.98Å; L192-L269 HydrophobicContact CD1-CD2 4.06Å; L192-L269 HydrophobicContact CD1-CG 3.96Å; L192-L269 HydrophobicContact CD2-CD1 3.87Å; L192-L269 HydrophobicContact CG-CD1 4.46Å; L192-F270 HydrophobicContact CD1-CD1 4.22Å; L192-F270 HydrophobicContact CD1-CE1 3.78Å; L192-F270 HydrophobicContact CD1-CZ 4.44Å; L192-A273 HydrophobicContact CD2-CB 4.37Å
193I97.1Very high90.9Very high2 Ų233.1 Ų33.11%0.0115%0.152CC..EExtended strand (participates in β ladder)trans-84.6100.4175.5-54.9178.8000107.8V120 V206 T209 L210 L213 V224 I225 L226 V227V120-I193 HydrophobicContact CB-CG1 4.49Å; V120-I193 HydrophobicContact CG1-CG1 4.18Å; V120-I193 CarbonylContact O-C 3.53Å; V120-I193 VanDerWaalsContact O-CA 3.3Å; V120-I193 WeakPolarHBondContact O-CA 3.43Å; I193-V206 HydrophobicContact CG2-CB 4.44Å; I193-V206 HydrophobicContact CG2-CG1 4.17Å; I193-V206 HydrophobicContact CG2-CG2 4.06Å; I193-T209 HydrophobicContact CG2-CG2 4.33Å; I193-L210 HydrophobicContact CD1-CB 3.86Å; I193-L210 HydrophobicContact CD1-CD1 4.2Å; I193-L213 HydrophobicContact CD1-CD1 3.85Å; I193-L213 HydrophobicContact CG1-CD1 3.99Å; I193-V224 HydrophobicContact CD1-CG1 3.67Å; I193-V224 HydrophobicContact CG1-CG1 3.83Å; I193-I225 PolarHBondContact N-O 3.31Å; I193-L226 HydrophobicContact CB-CD2 3.87Å; I193-L226 HydrophobicContact CD1-CD2 4.07Å; I193-L226 HydrophobicContact CG1-CD2 4.38Å; I193-L226 HydrophobicContact CG2-CD2 4.44Å; I193-L226 WeakPolarHBondContact O-CA 3.46Å; I193-V227 PolarHBondContact O-N 2.95Å
194V98.4Very high92.4Very high2 Ų233.9 Ų33.91%0.01216%0.164CC..EExtended strand (participates in β ladder)trans-88.9128-177.9-166.60000110.3V120 V125 K127 L130 L192 V227 N229V120-V194 PolarHBondContact O-N 2.88Å; V125-V194 HydrophobicContact CB-CG1 4.33Å; V125-V194 HydrophobicContact CG2-CB 3.97Å; V125-V194 HydrophobicContact CG2-CG1 3.81Å; K127-V194 HydrophobicContact CG-CB 4.17Å; K127-V194 HydrophobicContact CG-CG2 4.26Å; L130-V194 HydrophobicContact CD2-CG2 4.21Å; L192-V194 PolarHBondContact O-N 2.86Å; V194-V227 WeakPolarHBondContact CA-O 3.3Å; V194-V227 HydrophobicContact CB-CB 4.48Å; V194-V227 HydrophobicContact CG1-CB 4.43Å; V194-V227 HydrophobicContact CG1-CG1 4.49Å; V194-V227 HydrophobicContact CG2-CB 4.22Å; V194-N229 HydrophobicContact CG1-CB 3.8Å
195F98.7Very high93.9Very high0 Ų036.9 Ų36.90%018%0.176CC..EExtended strand (participates in β ladder)trans-125.5162.8165.968.4-86.7000109V197 F203 V206 L226 V227 G228 N229 V239 H255F195-V197 HydrophobicContact CE2-CG1 4.29Å; F195-F203 HydrophobicContact CD1-CD2 4.28Å; F195-F203 HydrophobicContact CD2-CB 3.88Å; F195-F203 AromaticContact CD2-CD2 3.77Å; F195-F203 HydrophobicContact CD2-CD2 3.77Å; F195-F203 HydrophobicContact CD2-CG 4.28Å; F195-F203 HydrophobicContact CE1-CD2 4.14Å; F195-F203 HydrophobicContact CE2-CB 4.43Å; F195-F203 AromaticContact CE2-CD2 3.62Å; F195-F203 HydrophobicContact CE2-CD2 3.62Å; F195-F203 HydrophobicContact CE2-CE2 4.31Å; F195-F203 HydrophobicContact CE2-CG 4.38Å; F195-F203 HydrophobicContact CG-CB 4.32Å; F195-F203 HydrophobicContact CG-CD2 4.1Å; F195-F203 AromaticContact CZ-CD2 3.82Å; F195-F203 HydrophobicContact CZ-CD2 3.82Å; F195-F203 HydrophobicContact CZ-CE2 4.15Å; F195-V206 HydrophobicContact CB-CG2 4.09Å; F195-V206 HydrophobicContact CD1-CG2 3.99Å; F195-V206 HydrophobicContact CG-CG2 4.29Å; F195-L226 HydrophobicContact CE1-CB 4.47Å; F195-V227 WeakPolarHBondContact CD1-O 3.41Å; F195-V227 PolarHBondContact N-O 2.89Å; F195-V227 VanDerWaalsContact O-O 3.09Å; F195-G228 VanDerWaalsContact CZ-CA 3.42Å; F195-N229 PolarHBondContact O-N 2.73Å; F195-V239 HydrophobicContact CE2-CB 4.38Å; F195-V239 HydrophobicContact CE2-CG1 4Å; F195-H255 AromaticContact CE1-NE2 3.95Å; F195-H255 AromaticContact CZ-NE2 3.63Å
196S98.6Very high95.2Very high1 Ų136.3 Ų36.31%0.00717%0.173CC..EExtended strand (participates in β ladder)trans-96.5131.7174.2-168.30000109.6T198 D199 S202 K230S196-T198 PolarHBondContact O-N 2.73Å; S196-T198 VanDerWaalsContact O-N 3.09Å; S196-T198 PolarHBondContact OG-OG1 2.81Å; S196-D199 PolarHBondContact O-N 3.14Å; S196-S202 PolarHBondContact N-OG 3.29Å; S196-K230 VanDerWaalsContact OG-CD 3.27Å; S196-K230 WeakPolarHBondContact OG-CD 3.48Å; S196-K230 WeakPolarHBondContact OG-CE 3.03Å
197V98.8Very high96.2Very high0 Ų032.3 Ų32.30%016%0.158CC..THydrogen-bonded Turntrans-65.5-12.8174-550000112.7F195 N229 K230 R237 E238 V239F195-V197 HydrophobicContact CE2-CG1 4.29Å; V197-N229 PolarHBondContact N-O 3.3Å; V197-K230 WeakPolarHBondContact CG2-O 3.45Å; V197-R237 HydrophobicContact CB-CG 4.43Å; V197-R237 CarbonylContact O-C 3.59Å; V197-R237 WeakPolarHBondContact O-CA 3.48Å; V197-E238 PolarHBondContact O-N 3.27Å; V197-V239 PolarHBondContact O-N 2.92Å
198T98.6Very high96.8Very high27 Ų2734 Ų3417%0.16616%0.163CC..THydrogen-bonded Turntrans-101.712175.474.50000114.1S196 L233 S236S196-T198 PolarHBondContact O-N 2.73Å; S196-T198 VanDerWaalsContact O-N 3.09Å; S196-T198 PolarHBondContact OG-OG1 2.81Å; T198-L233 HydrophobicContact CG2-CB 3.48Å; T198-L233 VanDerWaalsContact CG2-CB 3.48Å; T198-L233 HydrophobicContact CG2-CD1 3.93Å; T198-L233 HydrophobicContact CG2-CG 4.33Å; T198-S236 VanDerWaalsContact CA-O 3.28Å; T198-S236 WeakPolarHBondContact CA-O 3.43Å; T198-S236 WeakPolarHBondContact CB-O 3.36Å; T198-S236 WeakPolarHBondContact CG2-O 3.36Å
199D98.3Very high96.8Very high46 Ų4634 Ų3425%0.24616%0.163CC..  trans-142.1102.6172.817028.6000110.4S196 R201 S202 F203 E238S196-D199 PolarHBondContact O-N 3.14Å; D199-R201 PolarHBondContact O-N 3.37Å; D199-R201 WeakPolarHBondContact OD1-CA 3.44Å; D199-R201 WeakPolarHBondContact OD1-CB 3.49Å; D199-R201 WeakPolarHBondContact OD1-CG 3.49Å; D199-R201 PolarHBondContact OD1-N 2.79Å; D199-S202 PolarHBondContact O-N 2.73Å; D199-S202 PolarHBondContact O-OG 3.41Å; D199-S202 WeakPolarHBondContact OD2-CB 3.36Å; D199-S202 PolarHBondContact OD2-N 2.89Å; D199-S202 PolarHBondContact OD2-OG 2.89Å; D199-F203 PolarHBondContact O-N 3.33Å; D199-E238 WeakPolarHBondContact CA-OE2 3.04Å
200R98.4Very high96.8Very high91 Ų9132.3 Ų32.334%0.34315%0.154SC..Hα-helixtrans-60-26.1177.7-16763.1175.3-154.27.4113S204 E238 E243R200-S204 WeakPolarHBondContact O-CB 3.4Å; R200-S204 PolarHBondContact O-N 3.43Å; R200-S204 PolarHBondContact O-OG 3.11Å; R200-E238 HydrophobicContact CB-CB 4.14Å; R200-E238 VanDerWaalsContact CB-OE2 3.3Å; R200-E238 WeakPolarHBondContact CB-OE2 3.48Å; R200-E238 PolarHBondContact N-OE2 2.84Å; R200-E238 PolarHBondContact NH1-O 3.22Å; R200-E243 IonicContact CZ-OE1 2.66Å; R200-E243 VanDerWaalsContact NH1-CD 3.26Å; R200-E243 IonicContact NH1-OE1 2.73Å; R200-E243 PolarHBondContact NH1-OE1 2.95Å; R200-E243 IonicContact NH1-OE2 3.45Å; R200-E243 PolarHBondContact NH1-OE2 2.89Å; R200-E243 IonicContact NH2-OE1 3.68Å; R200-E243 PolarHBondContact NH2-OE1 3.17Å
201R98.1Very high96.5Very high205 Ų20538 Ų3877%0.77418%0.183SC*.Hα-helixtrans-69.8-47.1178.8-55.2179.4176.6-167.7-1.1110.3D199 F203 S204 K205D199-R201 PolarHBondContact O-N 3.37Å; D199-R201 WeakPolarHBondContact OD1-CA 3.44Å; D199-R201 WeakPolarHBondContact OD1-CB 3.49Å; D199-R201 WeakPolarHBondContact OD1-CG 3.49Å; D199-R201 PolarHBondContact OD1-N 2.79Å; R201-F203 VanDerWaalsContact C-N 3.3Å; R201-F203 PolarHBondContact O-N 2.68Å; R201-S204 WeakPolarHBondContact O-CB 3.37Å; R201-S204 PolarHBondContact O-N 3.1Å; R201-S204 VanDerWaalsContact O-N 3.12Å; R201-K205 PolarHBondContact O-N 3.3Å
202S98.1Very high96.1Very high3 Ų342.2 Ų42.22%0.02120%0.199CC..Hα-helixtrans-56.1-42174720000113.1V125 S196 D199 K205V125-S202 VanDerWaalsContact CG1-CB 3.48Å; S196-S202 PolarHBondContact N-OG 3.29Å; D199-S202 PolarHBondContact O-N 2.73Å; D199-S202 PolarHBondContact O-OG 3.41Å; D199-S202 WeakPolarHBondContact OD2-CB 3.36Å; D199-S202 PolarHBondContact OD2-N 2.89Å; D199-S202 PolarHBondContact OD2-OG 2.89Å; S202-K205 PolarHBondContact O-N 3.06Å
203F98.6Very high95.6Very high19 Ų1942.2 Ų42.28%0.08320%0.199CC..Hα-helixtrans-64.9-41.5175.8178.4-110.3000112.5F195 D199 R201 K205 V206 V239 E243 L247F195-F203 HydrophobicContact CD1-CD2 4.28Å; F195-F203 HydrophobicContact CD2-CB 3.88Å; F195-F203 AromaticContact CD2-CD2 3.77Å; F195-F203 HydrophobicContact CD2-CD2 3.77Å; F195-F203 HydrophobicContact CD2-CG 4.28Å; F195-F203 HydrophobicContact CE1-CD2 4.14Å; F195-F203 HydrophobicContact CE2-CB 4.43Å; F195-F203 AromaticContact CE2-CD2 3.62Å; F195-F203 HydrophobicContact CE2-CD2 3.62Å; F195-F203 HydrophobicContact CE2-CE2 4.31Å; F195-F203 HydrophobicContact CE2-CG 4.38Å; F195-F203 HydrophobicContact CG-CB 4.32Å; F195-F203 HydrophobicContact CG-CD2 4.1Å; F195-F203 AromaticContact CZ-CD2 3.82Å; F195-F203 HydrophobicContact CZ-CD2 3.82Å; F195-F203 HydrophobicContact CZ-CE2 4.15Å; D199-F203 PolarHBondContact O-N 3.33Å; R201-F203 VanDerWaalsContact C-N 3.3Å; R201-F203 PolarHBondContact O-N 2.68Å; F203-K205 PolarHBondContact O-N 3.43Å; F203-V206 WeakPolarHBondContact O-CB 3.48Å; F203-V206 WeakPolarHBondContact O-CG2 3.18Å; F203-V206 PolarHBondContact O-N 3.23Å; F203-V206 VanDerWaalsContact O-N 3.14Å; F203-V239 HydrophobicContact CB-CG2 3.72Å; F203-V239 HydrophobicContact CD1-CG1 4.06Å; F203-V239 HydrophobicContact CD1-CG2 4.15Å; F203-V239 HydrophobicContact CD2-CG1 3.87Å; F203-V239 HydrophobicContact CE1-CG1 4.17Å; F203-V239 HydrophobicContact CE2-CG1 3.98Å; F203-V239 HydrophobicContact CG-CG1 3.9Å; F203-V239 HydrophobicContact CG-CG2 3.9Å; F203-V239 HydrophobicContact CZ-CG1 4.12Å; F203-E243 HydrophobicContact CE1-CB 4.46Å; F203-E243 HydrophobicContact CZ-CB 4.2Å; F203-L247 HydrophobicContact CD2-CD2 4.12Å; F203-L247 HydrophobicContact CE1-CD2 4.34Å; F203-L247 HydrophobicContact CE2-CB 4.08Å; F203-L247 HydrophobicContact CE2-CD2 3.45Å; F203-L247 VanDerWaalsContact CE2-CD2 3.45Å; F203-L247 HydrophobicContact CE2-CG 4.4Å; F203-L247 HydrophobicContact CZ-CB 3.85Å; F203-L247 HydrophobicContact CZ-CD2 3.59Å; F203-L247 HydrophobicContact CZ-CG 4.33Å
204S98.1Very high95.1Very high77 Ų7747.2 Ų47.254%0.53822%0.218SC..Hα-helixtrans-63.9-22.1178.5-56.10000113R200 R201 P207R200-S204 WeakPolarHBondContact O-CB 3.4Å; R200-S204 PolarHBondContact O-N 3.43Å; R200-S204 PolarHBondContact O-OG 3.11Å; R201-S204 WeakPolarHBondContact O-CB 3.37Å; R201-S204 PolarHBondContact O-N 3.1Å; R201-S204 VanDerWaalsContact O-N 3.12Å; S204-P207 WeakPolarHBondContact O-CD 3.33Å
205K96.2Very high94.5Very high72 Ų7250.9 Ų50.931%0.31325%0.249SC..THydrogen-bonded Turntrans-85.9-7.7177.6-76.9-74.9-176.11800114.9E122 R201 S202 F203 E208 T209E122-K205 HydrophobicContact CG-CB 3.62Å; E122-K205 HydrophobicContact CG-CG 3.81Å; R201-K205 PolarHBondContact O-N 3.3Å; S202-K205 PolarHBondContact O-N 3.06Å; F203-K205 PolarHBondContact O-N 3.43Å; K205-E208 WeakPolarHBondContact CD-OE2 3.27Å; K205-E208 VanDerWaalsContact NZ-CD 3.28Å; K205-E208 IonicContact NZ-OE1 3.24Å; K205-E208 PolarHBondContact NZ-OE1 3.23Å; K205-E208 VanDerWaalsContact NZ-OE1 3.12Å; K205-E208 IonicContact NZ-OE2 3.12Å; K205-E208 PolarHBondContact NZ-OE2 2.91Å; K205-T209 VanDerWaalsContact O-CB 3.3Å; K205-T209 WeakPolarHBondContact O-CB 3.1Å; K205-T209 PolarHBondContact O-N 3.09Å; K205-T209 PolarHBondContact O-OG1 3.18Å
206V96.7Very high93.5Very high2 Ų253 Ų531%0.01227%0.27CS..Hα-helixtrans-59.5-47179.5170.90000113.3I193 F195 F203 T209 L210 L226 L247 L251I193-V206 HydrophobicContact CG2-CB 4.44Å; I193-V206 HydrophobicContact CG2-CG1 4.17Å; I193-V206 HydrophobicContact CG2-CG2 4.06Å; F195-V206 HydrophobicContact CB-CG2 4.09Å; F195-V206 HydrophobicContact CD1-CG2 3.99Å; F195-V206 HydrophobicContact CG-CG2 4.29Å; F203-V206 WeakPolarHBondContact O-CB 3.48Å; F203-V206 WeakPolarHBondContact O-CG2 3.18Å; F203-V206 PolarHBondContact O-N 3.23Å; F203-V206 VanDerWaalsContact O-N 3.14Å; V206-T209 PolarHBondContact O-N 2.71Å; V206-L210 PolarHBondContact O-N 2.92Å; V206-L226 HydrophobicContact CG1-CD1 3.91Å; V206-L226 HydrophobicContact CG1-CD2 3.56Å; V206-L226 HydrophobicContact CG1-CG 4.36Å; V206-L247 HydrophobicContact CB-CD2 4.06Å; V206-L247 HydrophobicContact CG1-CD2 3.98Å; V206-L251 HydrophobicContact CG1-CD1 3.99Å
207P96.3Very high92.5Very high43 Ų4354.2 Ų54.228%0.27927%0.274SS..Hα-helixtrans-65.5-45.3-178.2-20.734000112.8S204 T209 L210 L211 L247 L251S204-P207 WeakPolarHBondContact O-CD 3.33Å; P207-T209 VanDerWaalsContact C-N 3.26Å; P207-T209 PolarHBondContact O-N 2.93Å; P207-L210 PolarHBondContact O-N 3.08Å; P207-L211 WeakPolarHBondContact O-CG 3.45Å; P207-L211 PolarHBondContact O-N 2.82Å; P207-L247 HydrophobicContact CG-CD1 4.19Å; P207-L247 HydrophobicContact CG-CD2 4.45Å; P207-L251 HydrophobicContact CB-CD2 4.5Å; P207-L251 HydrophobicContact CG-CD1 4.46Å
208E93.1Very high91Very high82 Ų8259 Ų5938%0.38331%0.305SS..Hα-helixtrans-57.5-41.7175-177.4-169.3135.100111.1K205 L211 R212K205-E208 WeakPolarHBondContact CD-OE2 3.27Å; K205-E208 VanDerWaalsContact NZ-CD 3.28Å; K205-E208 IonicContact NZ-OE1 3.24Å; K205-E208 PolarHBondContact NZ-OE1 3.23Å; K205-E208 VanDerWaalsContact NZ-OE1 3.12Å; K205-E208 IonicContact NZ-OE2 3.12Å; K205-E208 PolarHBondContact NZ-OE2 2.91Å; E208-L211 PolarHBondContact O-N 2.72Å; E208-R212 WeakPolarHBondContact O-CG 3.41Å; E208-R212 PolarHBondContact O-N 3Å; E208-R212 VanDerWaalsContact O-N 3.07Å; E208-R212 PolarHBondContact O-NE 2.77Å; E208-R212 IonicContact OE1-CZ 3.83Å; E208-R212 IonicContact OE1-NH2 4Å
209T90.8Very high89.7Confident2 Ų266.1 Ų66.11%0.01234%0.336CS..Hα-helixtrans-67.8-45.6179-60.40000111.9V120 W171 I193 K205 V206 P207 L211 R212 L213V120-T209 HydrophobicContact CG1-CG2 3.25Å; W171-T209 HydrophobicContact CH2-CG2 4.33Å; W171-T209 HydrophobicContact CZ2-CG2 3.85Å; I193-T209 HydrophobicContact CG2-CG2 4.33Å; K205-T209 VanDerWaalsContact O-CB 3.3Å; K205-T209 WeakPolarHBondContact O-CB 3.1Å; K205-T209 PolarHBondContact O-N 3.09Å; K205-T209 PolarHBondContact O-OG1 3.18Å; V206-T209 PolarHBondContact O-N 2.71Å; P207-T209 VanDerWaalsContact C-N 3.26Å; P207-T209 PolarHBondContact O-N 2.93Å; T209-L211 VanDerWaalsContact C-N 3.33Å; T209-L211 PolarHBondContact O-N 3.36Å; T209-R212 WeakPolarHBondContact O-CB 3.36Å; T209-R212 PolarHBondContact O-N 3.4Å; T209-R212 PolarHBondContact OG1-NH2 2.83Å; T209-L213 WeakPolarHBondContact O-CG 3.5Å; T209-L213 PolarHBondContact O-N 2.81Å
210L91.4Very high88.5Confident3 Ų369.6 Ų69.62%0.01635%0.351CS..Hα-helixtrans-61.3-39.3174.8178.660.5000112.8I193 V206 P207 R212 L213 R214 V224 L251I193-L210 HydrophobicContact CD1-CB 3.86Å; I193-L210 HydrophobicContact CD1-CD1 4.2Å; V206-L210 PolarHBondContact O-N 2.92Å; P207-L210 PolarHBondContact O-N 3.08Å; L210-R212 VanDerWaalsContact C-N 3.35Å; L210-L213 PolarHBondContact O-N 3.27Å; L210-R214 HydrophobicContact CD1-CG 4.19Å; L210-R214 PolarHBondContact O-N 3.16Å; L210-V224 HydrophobicContact CD1-CB 4.34Å; L210-V224 HydrophobicContact CD1-CG1 4.11Å; L210-V224 HydrophobicContact CD1-CG2 3.98Å; L210-L251 HydrophobicContact CD2-CB 3.66Å; L210-L251 HydrophobicContact CD2-CD1 3.87Å; L210-L251 HydrophobicContact CD2-CD2 4.16Å; L210-L251 HydrophobicContact CD2-CG 4.1Å
211L90.4Very high87.7Confident120 Ų12069.8 Ų69.863%0.62836%0.359SS*.Hα-helixtrans-61.4-43.9175.2-73.5169.6000111.1P207 E208 T209 R214 A215P207-L211 WeakPolarHBondContact O-CG 3.45Å; P207-L211 PolarHBondContact O-N 2.82Å; E208-L211 PolarHBondContact O-N 2.72Å; T209-L211 VanDerWaalsContact C-N 3.33Å; T209-L211 PolarHBondContact O-N 3.36Å; L211-R214 PolarHBondContact O-N 3.35Å; L211-A215 VanDerWaalsContact O-CB 3.31Å; L211-A215 WeakPolarHBondContact O-CB 3.31Å; L211-A215 PolarHBondContact O-N 3.34Å
212R85.6Confident87Confident89 Ų8960.9 Ų60.934%0.33633%0.326SS..Hα-helixtrans-60.4-43.9173.7-69.3179.8-64.5169.41.1112.2E208 T209 L210 A215 G216E208-R212 WeakPolarHBondContact O-CG 3.41Å; E208-R212 PolarHBondContact O-N 3Å; E208-R212 VanDerWaalsContact O-N 3.07Å; E208-R212 PolarHBondContact O-NE 2.77Å; E208-R212 IonicContact OE1-CZ 3.83Å; E208-R212 IonicContact OE1-NH2 4Å; T209-R212 WeakPolarHBondContact O-CB 3.36Å; T209-R212 PolarHBondContact O-N 3.4Å; T209-R212 PolarHBondContact OG1-NH2 2.83Å; L210-R212 VanDerWaalsContact C-N 3.35Å; R212-A215 PolarHBondContact O-N 3.1Å; R212-G216 PolarHBondContact O-N 2.77Å
213L86.6Confident86.8Confident1 Ų161 Ų611%0.00533%0.327CS..Hα-helixtrans-60-46.9176-61.8-173.1000112.2V120 W171 L185 F191 I193 T209 L210 G216V120-L213 HydrophobicContact CG1-CD1 4.43Å; V120-L213 HydrophobicContact CG1-CD2 4.3Å; V120-L213 HydrophobicContact CG2-CD2 4.31Å; W171-L213 HydrophobicContact CH2-CD2 3.88Å; W171-L213 HydrophobicContact CZ3-CD2 3.96Å; L185-L213 HydrophobicContact CD2-CD2 3.28Å; F191-L213 HydrophobicContact CB-CD1 3.77Å; F191-L213 HydrophobicContact CD1-CD1 4.05Å; F191-L213 HydrophobicContact CD1-CD2 4.02Å; F191-L213 HydrophobicContact CD2-CD1 4.43Å; F191-L213 HydrophobicContact CE1-CD2 4.31Å; F191-L213 HydrophobicContact CG-CD1 3.82Å; I193-L213 HydrophobicContact CD1-CD1 3.85Å; I193-L213 HydrophobicContact CG1-CD1 3.99Å; T209-L213 WeakPolarHBondContact O-CG 3.5Å; T209-L213 PolarHBondContact O-N 2.81Å; L210-L213 PolarHBondContact O-N 3.27Å; L213-G216 PolarHBondContact O-N 2.9Å
214R87.2Confident86.7Confident107 Ų10760.3 Ų60.340%0.40432%0.324SS..Hα-helixtrans-69.9-35.8-178.6-73.2-178.9175.5158.54112.4L210 L211 G216 R217 L251L210-R214 HydrophobicContact CD1-CG 4.19Å; L210-R214 PolarHBondContact O-N 3.16Å; L211-R214 PolarHBondContact O-N 3.35Å; R214-G216 VanDerWaalsContact C-N 3.29Å; R214-G216 PolarHBondContact O-N 3.1Å; R214-R217 CarbonylContact O-C 3.58Å; R214-R217 VanDerWaalsContact O-C 3.25Å; R214-R217 PolarHBondContact O-N 3.04Å; R214-L251 PolarHBondContact NH1-O 2.9Å; R214-L251 PolarHBondContact NH2-O 3.41Å
215A85.1Confident86.7Confident79 Ų7956.7 Ų56.765%0.65330%0.299SS*.Hα-helixtrans-62.4-35.217500000112.4L211 R212 R217L211-A215 VanDerWaalsContact O-CB 3.31Å; L211-A215 WeakPolarHBondContact O-CB 3.31Å; L211-A215 PolarHBondContact O-N 3.34Å; R212-A215 PolarHBondContact O-N 3.1Å; A215-R217 VanDerWaalsContact C-N 3.33Å; A215-R217 PolarHBondContact O-N 2.86Å
216G78.2Confident86.8Confident43 Ų4353.3 Ų53.344%0.44328%0.284SS..Hα-helixtrans-71.4-20.2175.900000115R212 L213 R214R212-G216 PolarHBondContact O-N 2.77Å; L213-G216 PolarHBondContact O-N 2.9Å; R214-G216 VanDerWaalsContact C-N 3.29Å; R214-G216 PolarHBondContact O-N 3.1Å
217R78.6Confident86.9Confident28 Ų2853.2 Ų53.211%0.10628%0.284CS..  trans-143.972.4177.4-73.7-154.8-66.5-161.9-2.5112.3L185 Q186 G188 R214 A215 H219 H220 L222L185-R217 VanDerWaalsContact O-CD 3.24Å; L185-R217 WeakPolarHBondContact O-CD 3.46Å; L185-R217 PolarHBondContact O-NE 2.89Å; L185-R217 PolarHBondContact O-NH1 3.05Å; L185-R217 PolarHBondContact O-NH2 2.67Å; Q186-R217 PolarHBondContact O-NH1 3.21Å; G188-R217 PolarHBondContact O-NH1 2.93Å; G188-R217 PolarHBondContact O-NH2 2.88Å; R214-R217 CarbonylContact O-C 3.58Å; R214-R217 VanDerWaalsContact O-C 3.25Å; R214-R217 PolarHBondContact O-N 3.04Å; A215-R217 VanDerWaalsContact C-N 3.33Å; A215-R217 PolarHBondContact O-N 2.86Å; R217-H219 PolarHBondContact O-N 2.89Å; R217-H220 HydrophobicContact CB-CB 4.24Å; R217-H220 PolarHBondContact O-N 3.19Å; R217-L222 HydrophobicContact CB-CD1 4.18Å
218P67.4Low87Confident99 Ų9951.1 Ų51.164%0.64327%0.27SS*.THydrogen-bonded Turntrans-67.8-16.8-173.326.9-35.7000114.9
219H70.7Confident87.2Confident177 Ų17747.4 Ų47.482%0.81925%0.253SS*.THydrogen-bonded Turntrans-105.85.8-178.2-61.8-57000114.6R217R217-H219 PolarHBondContact O-N 2.89Å
220H72.4Confident87.6Confident119 Ų11950.1 Ų50.155%0.55126%0.264SS*.SBendtrans-110.7132.3179.8-67.3-93.3000111.7R217 L222R217-H220 HydrophobicContact CB-CB 4.24Å; R217-H220 PolarHBondContact O-N 3.19Å; H220-L222 HydrophobicContact CB-CD2 3.48Å; H220-L222 VanDerWaalsContact CB-CD2 3.48Å; H220-L222 HydrophobicContact CB-CG 4.19Å; H220-L222 PolarHBondContact O-N 2.76Å; H220-L222 VanDerWaalsContact O-N 3.07Å
221D81.9Confident87.9Confident96 Ų9650.9 Ų50.951%0.51327%0.27SS..  trans-7890.8170.8-173.926.5000109.8P223 R280D221-P223 WeakPolarHBondContact O-CD 3.3Å; D221-R280 WeakPolarHBondContact O-CD 3.18Å; D221-R280 IonicContact OD1-CZ 3.15Å; D221-R280 IonicContact OD1-NH1 2.68Å; D221-R280 PolarHBondContact OD1-NH1 3.05Å; D221-R280 VanDerWaalsContact OD2-CD 3.23Å; D221-R280 WeakPolarHBondContact OD2-CD 3.32Å; D221-R280 WeakPolarHBondContact OD2-CG 3.33Å; D221-R280 IonicContact OD2-NE 2.73Å; D221-R280 IonicContact OD2-NH1 2.86Å
222L84.7Confident88.3Confident17 Ų1748 Ų489%0.08926%0.255CS..  trans-83.8120-169.7-60.2-172.2000113.5F191 R217 H220 V224 R280F191-L222 HydrophobicContact CD2-CB 4.49Å; F191-L222 HydrophobicContact CD2-CD1 4.33Å; F191-L222 HydrophobicContact CE2-CB 4.41Å; F191-L222 HydrophobicContact CE2-CD1 3.75Å; F191-L222 HydrophobicContact CE2-CD2 4.27Å; F191-L222 HydrophobicContact CE2-CG 4.37Å; F191-L222 HydrophobicContact CZ-CD1 4.49Å; R217-L222 HydrophobicContact CB-CD1 4.18Å; H220-L222 HydrophobicContact CB-CD2 3.48Å; H220-L222 VanDerWaalsContact CB-CD2 3.48Å; H220-L222 HydrophobicContact CB-CG 4.19Å; H220-L222 PolarHBondContact O-N 2.76Å; H220-L222 VanDerWaalsContact O-N 3.07Å; L222-V224 HydrophobicContact CB-CG2 4.28Å; L222-V224 PolarHBondContact O-N 2.98Å; L222-V224 VanDerWaalsContact O-N 3.07Å; L222-R280 VanDerWaalsContact O-CZ 3.24Å; L222-R280 PolarHBondContact O-NH1 3.32Å; L222-R280 PolarHBondContact O-NH2 2.85Å
223P93Very high88.9Confident7 Ų747.2 Ų47.25%0.04526%0.258CS..  trans-55113.1163.4-20.631.7000110.5D189 A190 F191 D221 Q276 I277D189-P223 WeakPolarHBondContact O-CD 3.49Å; D189-P223 VanDerWaalsContact O-CG 3.3Å; D189-P223 WeakPolarHBondContact O-CG 3.49Å; A190-P223 WeakPolarHBondContact CA-O 3.38Å; A190-P223 HydrophobicContact CB-CB 3.73Å; A190-P223 HydrophobicContact CB-CG 4.35Å; F191-P223 PolarHBondContact N-O 2.71Å; D221-P223 WeakPolarHBondContact O-CD 3.3Å; P223-Q276 HydrophobicContact CB-CB 4.01Å; P223-I277 HydrophobicContact CB-CG1 4.36Å; P223-I277 HydrophobicContact CG-CB 4.5Å; P223-I277 HydrophobicContact CG-CG1 3.93Å
224V95.4Very high89.4Confident3 Ų350.5 Ų50.52%0.01829%0.285CS..EExtended strand (participates in β ladder)trans-128.5126.3172.4-175.60000109.9F191 I193 L210 L222 L226 K254F191-V224 HydrophobicContact CB-CG2 4.36Å; F191-V224 HydrophobicContact CD2-CG2 4.42Å; F191-V224 WeakPolarHBondContact O-CA 3.46Å; I193-V224 HydrophobicContact CD1-CG1 3.67Å; I193-V224 HydrophobicContact CG1-CG1 3.83Å; L210-V224 HydrophobicContact CD1-CB 4.34Å; L210-V224 HydrophobicContact CD1-CG1 4.11Å; L210-V224 HydrophobicContact CD1-CG2 3.98Å; L222-V224 HydrophobicContact CB-CG2 4.28Å; L222-V224 PolarHBondContact O-N 2.98Å; L222-V224 VanDerWaalsContact O-N 3.07Å; V224-L226 HydrophobicContact CG1-CD2 4.45Å; V224-K254 PolarHBondContact O-N 3.1Å
225I98.2Very high89.9Confident2 Ų257.5 Ų57.51%0.0131%0.311CS..EExtended strand (participates in β ladder)trans-116.5130.4174.4-49.3-175.8000107.6F191 L192 I193 V227 K254 I256 L269 Q276F191-I225 PolarHBondContact O-N 3.37Å; F191-I225 VanDerWaalsContact O-N 3.09Å; L192-I225 WeakPolarHBondContact CA-O 3.46Å; L192-I225 HydrophobicContact CD2-CB 3.84Å; L192-I225 HydrophobicContact CD2-CD1 4.07Å; L192-I225 HydrophobicContact CD2-CG1 4.1Å; I193-I225 PolarHBondContact N-O 3.31Å; I225-V227 HydrophobicContact CG2-CG2 4.39Å; I225-K254 HydrophobicContact CB-CB 4.42Å; I225-K254 HydrophobicContact CG1-CB 4.17Å; I225-K254 HydrophobicContact CG2-CB 4.08Å; I225-I256 HydrophobicContact CG2-CG2 4.07Å; I225-L269 HydrophobicContact CD1-CD1 4.49Å; I225-L269 HydrophobicContact CG2-CD1 4.02Å; I225-Q276 HydrophobicContact CD1-CG 4.33Å
226L98.5Very high90.5Very high0 Ų057.3 Ų57.30%031%0.305CS..EExtended strand (participates in β ladder)trans-85.8130.1169.9-55-169.8000108.9I193 F195 V206 V224 L247 A248 L251 C253 K254 H255 I256I193-L226 HydrophobicContact CB-CD2 3.87Å; I193-L226 HydrophobicContact CD1-CD2 4.07Å; I193-L226 HydrophobicContact CG1-CD2 4.38Å; I193-L226 HydrophobicContact CG2-CD2 4.44Å; I193-L226 WeakPolarHBondContact O-CA 3.46Å; F195-L226 HydrophobicContact CE1-CB 4.47Å; V206-L226 HydrophobicContact CG1-CD1 3.91Å; V206-L226 HydrophobicContact CG1-CD2 3.56Å; V206-L226 HydrophobicContact CG1-CG 4.36Å; V224-L226 HydrophobicContact CG1-CD2 4.45Å; L226-L247 HydrophobicContact CD1-CG 4.45Å; L226-A248 HydrophobicContact CD1-CB 3.83Å; L226-A248 HydrophobicContact CG-CB 4.39Å; L226-L251 HydrophobicContact CD1-CD1 4.35Å; L226-C253 HydrophobicContact CD1-CB 4.4Å; L226-C253 HydrophobicContact CD2-CB 4.31Å; L226-C253 HydrophobicContact CG-CB 3.9Å; L226-K254 PolarHBondContact N-O 2.83Å; L226-H255 WeakPolarHBondContact O-CA 3.35Å; L226-I256 PolarHBondContact O-N 2.84Å; L226-I256 VanDerWaalsContact O-N 3.08Å
227V98.8Very high91.5Very high0 Ų059.1 Ų59.10%030%0.299CS..EExtended strand (participates in β ladder)trans-120.4107.2-173.7-172.30000109.5L130 L192 I193 V194 F195 I225 N229 I256 T258 L269L130-V227 HydrophobicContact CD2-CG1 4.37Å; L192-V227 HydrophobicContact CB-CG2 4.08Å; I193-V227 PolarHBondContact O-N 2.95Å; V194-V227 WeakPolarHBondContact CA-O 3.3Å; V194-V227 HydrophobicContact CB-CB 4.48Å; V194-V227 HydrophobicContact CG1-CB 4.43Å; V194-V227 HydrophobicContact CG1-CG1 4.49Å; V194-V227 HydrophobicContact CG2-CB 4.22Å; F195-V227 WeakPolarHBondContact CD1-O 3.41Å; F195-V227 PolarHBondContact N-O 2.89Å; F195-V227 VanDerWaalsContact O-O 3.09Å; I225-V227 HydrophobicContact CG2-CG2 4.39Å; V227-N229 PolarHBondContact O-N 2.94Å; V227-I256 WeakPolarHBondContact CA-O 3.4Å; V227-I256 HydrophobicContact CG2-CG2 4.39Å; V227-T258 HydrophobicContact CG1-CG2 3.97Å; V227-T258 WeakPolarHBondContact CG1-OG1 2.99Å; V227-L269 HydrophobicContact CG1-CD2 3.81Å; V227-L269 HydrophobicContact CG2-CD1 3.52Å; V227-L269 HydrophobicContact CG2-CD2 3.96Å; V227-L269 HydrophobicContact CG2-CG 4.43Å
228G98.7Very high92.4Very high0 Ų062.7 Ų62.70%032%0.317CS..EExtended strand (participates in β ladder)trans-8488.6172.500000110.5F195 I256 E257 T258F195-G228 VanDerWaalsContact CZ-CA 3.42Å; G228-I256 PolarHBondContact N-O 2.9Å; G228-E257 CarbonylContact O-C 3.59Å; G228-E257 WeakPolarHBondContact O-CA 3.27Å; G228-T258 PolarHBondContact O-N 3.45Å
229N98.8Very high93.9Very high3 Ų358 Ų582%0.01629%0.286CS..EExtended strand (participates in β ladder)trans-81.9164.8-176.5-167.627.3000112.3V125 V194 F195 V197 V227 T258 A260V125-N229 PolarHBondContact O-ND2 3.3Å; V194-N229 HydrophobicContact CG1-CB 3.8Å; F195-N229 PolarHBondContact O-N 2.73Å; V197-N229 PolarHBondContact N-O 3.3Å; V227-N229 PolarHBondContact O-N 2.94Å; N229-T258 CarbonylContact C-O 3.38Å; N229-T258 WeakPolarHBondContact CA-O 3.29Å; N229-T258 PolarHBondContact OD1-O 2.77Å; N229-T258 PolarHBondContact OD1-OG1 2.72Å; N229-A260 PolarHBondContact OD1-N 2.98Å
230K98.4Very high95.2Very high59 Ų5951.8 Ų51.826%0.25726%0.262SS..  trans64.935-175.8-42.6-171.3-160.2168.20113.8G124 S196 V197 D232 L233 T258G124-K230 WeakPolarHBondContact O-CE 3.43Å; G124-K230 PolarHBondContact O-NZ 3.07Å; S196-K230 VanDerWaalsContact OG-CD 3.27Å; S196-K230 WeakPolarHBondContact OG-CD 3.48Å; S196-K230 WeakPolarHBondContact OG-CE 3.03Å; V197-K230 WeakPolarHBondContact CG2-O 3.45Å; K230-D232 VanDerWaalsContact C-OD1 3.22Å; K230-D232 VanDerWaalsContact CA-OD1 3.29Å; K230-D232 WeakPolarHBondContact CA-OD1 3.36Å; K230-D232 PolarHBondContact O-N 3.2Å; K230-D232 VanDerWaalsContact O-N 3.12Å; K230-L233 HydrophobicContact CB-CD1 4.06Å; K230-L233 HydrophobicContact CB-CG 4.28Å; K230-L233 HydrophobicContact CD-CD1 4.08Å; K230-L233 PolarHBondContact O-N 2.96Å; K230-T258 PolarHBondContact N-O 3.14Å
231S98.4Very high96.4Very high20 Ų2049 Ų4914%0.1425%0.251CS..THydrogen-bonded Turntrans-61.2-18.8-179.465.10000114.2L233 T258S231-L233 VanDerWaalsContact C-N 3.32Å; S231-L233 PolarHBondContact O-N 3.42Å; S231-T258 PolarHBondContact N-O 2.78Å; S231-T258 VanDerWaalsContact OG-C 3.28Å; S231-T258 PolarHBondContact OG-O 3.33Å; S231-T258 VanDerWaalsContact OG-O 3.12Å
232D98.3Very high97.2Very high59 Ų5951.9 Ų51.932%0.31626%0.262SS..THydrogen-bonded Turntrans-64-28.8171.657.2-74.5000114.1K230 A234 S259 L262K230-D232 VanDerWaalsContact C-OD1 3.22Å; K230-D232 VanDerWaalsContact CA-OD1 3.29Å; K230-D232 WeakPolarHBondContact CA-OD1 3.36Å; K230-D232 PolarHBondContact O-N 3.2Å; K230-D232 VanDerWaalsContact O-N 3.12Å; D232-A234 PolarHBondContact O-N 3.24Å; D232-S259 WeakPolarHBondContact OD1-CB 3.3Å; D232-S259 PolarHBondContact OD1-OG 3.46Å; D232-L262 HydrophobicContact CB-CD1 3.5Å; D232-L262 HydrophobicContact CB-CG 3.97Å
233L97.8Very high97.9Very high73 Ų7354.1 Ų54.138%0.38227%0.272SS..  trans-81.948.2-177.1-61-175.7000112.4T198 K230 S231 R235 S236 R237T198-L233 HydrophobicContact CG2-CB 3.48Å; T198-L233 VanDerWaalsContact CG2-CB 3.48Å; T198-L233 HydrophobicContact CG2-CD1 3.93Å; T198-L233 HydrophobicContact CG2-CG 4.33Å; K230-L233 HydrophobicContact CB-CD1 4.06Å; K230-L233 HydrophobicContact CB-CG 4.28Å; K230-L233 HydrophobicContact CD-CD1 4.08Å; K230-L233 PolarHBondContact O-N 2.96Å; S231-L233 VanDerWaalsContact C-N 3.32Å; S231-L233 PolarHBondContact O-N 3.42Å; L233-R235 PolarHBondContact O-N 3.47Å; L233-R235 VanDerWaalsContact O-N 3.07Å; L233-S236 CarbonylContact O-C 3.59Å; L233-S236 PolarHBondContact O-N 2.9Å; L233-R237 PolarHBondContact O-N 3.48Å
234A96.6Very high98.1Very high70 Ų7053.8 Ų53.858%0.57927%0.27SS*.G310 helixtrans-54.8-32-171.900000114.7D232 S236 R237D232-A234 PolarHBondContact O-N 3.24Å; A234-S236 VanDerWaalsContact C-N 3.3Å; A234-S236 PolarHBondContact O-N 3.39Å; A234-R237 WeakPolarHBondContact O-CB 3.47Å
235R97.9Very high98.2Very high253 Ų25360.5 Ų60.596%0.95530%0.295SS*.G310 helixtrans-73-19177.2-68-171.2-66.9169-1.6114.2L233L233-R235 PolarHBondContact O-N 3.47Å; L233-R235 VanDerWaalsContact O-N 3.07Å
236S98Very high98.2Very high75 Ų7566.8 Ų66.852%0.52432%0.323SS..G310 helixtrans-111.317.7-179.5-51.60000111.8T198 L233 A234 E238T198-S236 VanDerWaalsContact CA-O 3.28Å; T198-S236 WeakPolarHBondContact CA-O 3.43Å; T198-S236 WeakPolarHBondContact CB-O 3.36Å; T198-S236 WeakPolarHBondContact CG2-O 3.36Å; L233-S236 CarbonylContact O-C 3.59Å; L233-S236 PolarHBondContact O-N 2.9Å; A234-S236 VanDerWaalsContact C-N 3.3Å; A234-S236 PolarHBondContact O-N 3.39Å; S236-E238 PolarHBondContact O-N 3.36Å
237R98.6Very high98.2Very high81 Ų8168.1 Ų68.131%0.30633%0.33SS..  trans-73.3123.9-176.2179.5-178.3-82.4-105.610.9111V197 L233 A234 V239 E257V197-R237 HydrophobicContact CB-CG 4.43Å; V197-R237 CarbonylContact O-C 3.59Å; V197-R237 WeakPolarHBondContact O-CA 3.48Å; L233-R237 PolarHBondContact O-N 3.48Å; A234-R237 WeakPolarHBondContact O-CB 3.47Å; R237-V239 VanDerWaalsContact CD-O 3.27Å; R237-V239 WeakPolarHBondContact CD-O 3.49Å; R237-V239 WeakPolarHBondContact CG-O 3.36Å; R237-V239 PolarHBondContact NH1-O 2.87Å; R237-E257 IonicContact CZ-OE1 2.71Å; R237-E257 IonicContact CZ-OE2 3.98Å; R237-E257 IonicContact NH1-OE1 3.83Å; R237-E257 PolarHBondContact NH1-OE1 3.5Å; R237-E257 IonicContact NH1-OE2 3.6Å; R237-E257 PolarHBondContact NH1-OE2 2.92Å; R237-E257 IonicContact NH2-OE1 3.57Å; R237-E257 IonicContact NH2-OE2 3.53Å; R237-E257 PolarHBondContact NH2-OE2 3.46Å
238E98.6Very high98.1Very high104 Ų10468.2 Ų68.249%0.48633%0.332SS..  trans-108.3-11.2175.5-55.3-171.6166.700112.9V197 D199 R200 S236V197-E238 PolarHBondContact O-N 3.27Å; D199-E238 WeakPolarHBondContact CA-OE2 3.04Å; R200-E238 HydrophobicContact CB-CB 4.14Å; R200-E238 VanDerWaalsContact CB-OE2 3.3Å; R200-E238 WeakPolarHBondContact CB-OE2 3.48Å; R200-E238 PolarHBondContact N-OE2 2.84Å; R200-E238 PolarHBondContact NH1-O 3.22Å; S236-E238 PolarHBondContact O-N 3.36Å
239V98.6Very high98.1Very high1 Ų170.9 Ų70.91%0.00636%0.359CS..SBendtrans-127.2120.8179.1-172.90000109.6F195 V197 F203 R237 E243F195-V239 HydrophobicContact CE2-CB 4.38Å; F195-V239 HydrophobicContact CE2-CG1 4Å; V197-V239 PolarHBondContact O-N 2.92Å; F203-V239 HydrophobicContact CB-CG2 3.72Å; F203-V239 HydrophobicContact CD1-CG1 4.06Å; F203-V239 HydrophobicContact CD1-CG2 4.15Å; F203-V239 HydrophobicContact CD2-CG1 3.87Å; F203-V239 HydrophobicContact CE1-CG1 4.17Å; F203-V239 HydrophobicContact CE2-CG1 3.98Å; F203-V239 HydrophobicContact CG-CG1 3.9Å; F203-V239 HydrophobicContact CG-CG2 3.9Å; F203-V239 HydrophobicContact CZ-CG1 4.12Å; R237-V239 VanDerWaalsContact CD-O 3.27Å; R237-V239 WeakPolarHBondContact CD-O 3.49Å; R237-V239 WeakPolarHBondContact CG-O 3.36Å; R237-V239 PolarHBondContact NH1-O 2.87Å; V239-E243 HydrophobicContact CG1-CB 4.27Å
240S98.5Very high98Very high45 Ų4575.2 Ų75.232%0.31539%0.386SS..  trans-76.1153.117667.10000112E242 E243 G244S240-E242 PolarHBondContact O-N 3.12Å; S240-E243 WeakPolarHBondContact CB-OE2 3.46Å; S240-E243 PolarHBondContact N-OE2 2.92Å; S240-E243 PolarHBondContact O-N 3.4Å; S240-E243 VanDerWaalsContact O-N 3.17Å; S240-E243 VanDerWaalsContact OG-CD 3.28Å; S240-E243 WeakPolarHBondContact OG-CG 3.45Å; S240-E243 PolarHBondContact OG-N 3.35Å; S240-E243 PolarHBondContact OG-OE2 3.29Å; S240-G244 PolarHBondContact O-N 2.75Å; S240-G244 VanDerWaalsContact O-N 3.11Å
241L97.8Very high97.8Very high60 Ų6073.8 Ų73.831%0.31438%0.381SS..Hα-helixtrans-58.4-30.8173.9174.661.9000112.2R245 E257L241-R245 HydrophobicContact CD1-CG 4.3Å; L241-R245 WeakPolarHBondContact O-CB 3.2Å; L241-R245 WeakPolarHBondContact O-CD 3.28Å; L241-R245 WeakPolarHBondContact O-CG 3.38Å; L241-R245 PolarHBondContact O-N 2.97Å; L241-R245 VanDerWaalsContact O-N 3.1Å; L241-E257 VanDerWaalsContact CA-OE1 3.29Å; L241-E257 WeakPolarHBondContact CA-OE1 3.3Å; L241-E257 WeakPolarHBondContact CB-OE1 3.49Å; L241-E257 HydrophobicContact CD1-CG 3.78Å
242E98.4Very high97.6Very high158 Ų15877.6 Ų77.674%0.73841%0.407SS*.Hα-helixtrans-70.2-42.7176.4-175165.4-166.500112S240 R245 H246S240-E242 PolarHBondContact O-N 3.12Å; E242-R245 PolarHBondContact O-N 3Å; E242-H246 VanDerWaalsContact O-CB 3.23Å; E242-H246 WeakPolarHBondContact O-CB 3.39Å; E242-H246 PolarHBondContact O-N 2.99Å
243E98.1Very high97.5Very high64 Ų6475.6 Ų75.630%0.29940%0.398SS..Hα-helixtrans-63.4-43175.7-71.6165.611500112.1R200 F203 V239 S240 H246 L247R200-E243 IonicContact CZ-OE1 2.66Å; R200-E243 VanDerWaalsContact NH1-CD 3.26Å; R200-E243 IonicContact NH1-OE1 2.73Å; R200-E243 PolarHBondContact NH1-OE1 2.95Å; R200-E243 IonicContact NH1-OE2 3.45Å; R200-E243 PolarHBondContact NH1-OE2 2.89Å; R200-E243 IonicContact NH2-OE1 3.68Å; R200-E243 PolarHBondContact NH2-OE1 3.17Å; F203-E243 HydrophobicContact CE1-CB 4.46Å; F203-E243 HydrophobicContact CZ-CB 4.2Å; V239-E243 HydrophobicContact CG1-CB 4.27Å; S240-E243 WeakPolarHBondContact CB-OE2 3.46Å; S240-E243 PolarHBondContact N-OE2 2.92Å; S240-E243 PolarHBondContact O-N 3.4Å; S240-E243 VanDerWaalsContact O-N 3.17Å; S240-E243 VanDerWaalsContact OG-CD 3.28Å; S240-E243 WeakPolarHBondContact OG-CG 3.45Å; S240-E243 PolarHBondContact OG-N 3.35Å; S240-E243 PolarHBondContact OG-OE2 3.29Å; E243-H246 PolarHBondContact O-N 2.97Å; E243-L247 WeakPolarHBondContact O-CB 3.36Å; E243-L247 PolarHBondContact O-N 3.05Å
244G97.8Very high97.4Very high0 Ų075.6 Ų75.60%040%0.395CS..Hα-helixtrans-59.2-47.317500000112.6S240 A248 H255S240-G244 PolarHBondContact O-N 2.75Å; S240-G244 VanDerWaalsContact O-N 3.11Å; G244-A248 WeakPolarHBondContact O-CB 3.49Å; G244-A248 PolarHBondContact O-N 3.49Å; G244-H255 VanDerWaalsContact C-CD2 3.42Å; G244-H255 VanDerWaalsContact CA-NE2 3.34Å; G244-H255 WeakPolarHBondContact CA-NE2 3.34Å; G244-H255 PolarHBondContact O-CD2 3.32Å; G244-H255 VanDerWaalsContact O-CD2 3.3Å
245R97.7Very high97.5Very high144 Ų14473.6 Ų73.654%0.54337%0.373SS..Hα-helixtrans-63.5-41.1174.5-74.7171.2171.3172.6-1.5112.7L241 E242 A248 G249L241-R245 HydrophobicContact CD1-CG 4.3Å; L241-R245 WeakPolarHBondContact O-CB 3.2Å; L241-R245 WeakPolarHBondContact O-CD 3.28Å; L241-R245 WeakPolarHBondContact O-CG 3.38Å; L241-R245 PolarHBondContact O-N 2.97Å; L241-R245 VanDerWaalsContact O-N 3.1Å; E242-R245 PolarHBondContact O-N 3Å; R245-A248 PolarHBondContact O-N 3.2Å; R245-G249 PolarHBondContact O-N 2.93Å
246H98.4Very high97.5Very high133 Ų13362.2 Ų62.262%0.61633%0.331SS*.Hα-helixtrans-65.2-44.7179.4179.777.4000111.7E242 E243 G249 T250E242-H246 VanDerWaalsContact O-CB 3.23Å; E242-H246 WeakPolarHBondContact O-CB 3.39Å; E242-H246 PolarHBondContact O-N 2.99Å; E243-H246 PolarHBondContact O-N 2.97Å; H246-G249 PolarHBondContact O-N 3.45Å; H246-T250 PolarHBondContact O-N 3.45Å; H246-T250 PolarHBondContact O-OG1 2.83Å; H246-T250 VanDerWaalsContact O-OG1 3.05Å
247L98.2Very high97.5Very high28 Ų2859.7 Ų59.715%0.14731%0.311CS..Hα-helixtrans-63.4-44.1176.3-175.662.8000111.1F203 V206 P207 L226 E243 G249 T250 L251F203-L247 HydrophobicContact CD2-CD2 4.12Å; F203-L247 HydrophobicContact CE1-CD2 4.34Å; F203-L247 HydrophobicContact CE2-CB 4.08Å; F203-L247 HydrophobicContact CE2-CD2 3.45Å; F203-L247 VanDerWaalsContact CE2-CD2 3.45Å; F203-L247 HydrophobicContact CE2-CG 4.4Å; F203-L247 HydrophobicContact CZ-CB 3.85Å; F203-L247 HydrophobicContact CZ-CD2 3.59Å; F203-L247 HydrophobicContact CZ-CG 4.33Å; V206-L247 HydrophobicContact CB-CD2 4.06Å; V206-L247 HydrophobicContact CG1-CD2 3.98Å; P207-L247 HydrophobicContact CG-CD1 4.19Å; P207-L247 HydrophobicContact CG-CD2 4.45Å; L226-L247 HydrophobicContact CD1-CG 4.45Å; E243-L247 WeakPolarHBondContact O-CB 3.36Å; E243-L247 PolarHBondContact O-N 3.05Å; L247-G249 VanDerWaalsContact C-N 3.33Å; L247-G249 PolarHBondContact O-N 2.91Å; L247-T250 PolarHBondContact O-N 2.92Å; L247-T250 VanDerWaalsContact O-N 3.16Å; L247-L251 HydrophobicContact CD1-CD1 3.92Å; L247-L251 HydrophobicContact CD1-CG 4.03Å; L247-L251 HydrophobicContact CD2-CD1 4.33Å; L247-L251 HydrophobicContact CG-CD1 3.83Å; L247-L251 HydrophobicContact CG-CG 4.26Å; L247-L251 WeakPolarHBondContact O-CB 3.21Å; L247-L251 WeakPolarHBondContact O-CG 3.3Å; L247-L251 PolarHBondContact O-N 3.33Å
248A97.4Very high97.5Very high3 Ų355.8 Ų55.83%0.02530%0.296CS..Hα-helixtrans-59.6-42.6176.600000112.7L226 G244 R245 L251 S252 C253 H255L226-A248 HydrophobicContact CD1-CB 3.83Å; L226-A248 HydrophobicContact CG-CB 4.39Å; G244-A248 WeakPolarHBondContact O-CB 3.49Å; G244-A248 PolarHBondContact O-N 3.49Å; R245-A248 PolarHBondContact O-N 3.2Å; A248-L251 PolarHBondContact O-N 2.82Å; A248-S252 PolarHBondContact O-N 3.02Å; A248-C253 PolarHBondContact O-N 3.3Å; A248-H255 HydrophobicContact CB-CB 3.62Å
249G97.2Very high97.5Very high56 Ų5650.9 Ų50.958%0.57727%0.274SS*.Hα-helixtrans-60.6-43.2173.600000112.7R245 H246 L247 S252R245-G249 PolarHBondContact O-N 2.93Å; H246-G249 PolarHBondContact O-N 3.45Å; L247-G249 VanDerWaalsContact C-N 3.33Å; L247-G249 PolarHBondContact O-N 2.91Å; G249-S252 PolarHBondContact O-N 3.44Å
250T97.2Very high97.4Very high94 Ų9451 Ų5158%0.57727%0.274SS*.Hα-helixtrans-65.9-35.5177.3-610000112.6H246 L247H246-T250 PolarHBondContact O-N 3.45Å; H246-T250 PolarHBondContact O-OG1 2.83Å; H246-T250 VanDerWaalsContact O-OG1 3.05Å; L247-T250 PolarHBondContact O-N 2.92Å; L247-T250 VanDerWaalsContact O-N 3.16Å
251L94.8Very high97.2Very high29 Ų2951.9 Ų51.915%0.15229%0.285CS..Hα-helixtrans-88.3-4.3-179.3-64.6-176.6000114.2V206 P207 L210 R214 L226 L247 A248V206-L251 HydrophobicContact CG1-CD1 3.99Å; P207-L251 HydrophobicContact CB-CD2 4.5Å; P207-L251 HydrophobicContact CG-CD1 4.46Å; L210-L251 HydrophobicContact CD2-CB 3.66Å; L210-L251 HydrophobicContact CD2-CD1 3.87Å; L210-L251 HydrophobicContact CD2-CD2 4.16Å; L210-L251 HydrophobicContact CD2-CG 4.1Å; R214-L251 PolarHBondContact NH1-O 2.9Å; R214-L251 PolarHBondContact NH2-O 3.41Å; L226-L251 HydrophobicContact CD1-CD1 4.35Å; L247-L251 HydrophobicContact CD1-CD1 3.92Å; L247-L251 HydrophobicContact CD1-CG 4.03Å; L247-L251 HydrophobicContact CD2-CD1 4.33Å; L247-L251 HydrophobicContact CG-CD1 3.83Å; L247-L251 HydrophobicContact CG-CG 4.26Å; L247-L251 WeakPolarHBondContact O-CB 3.21Å; L247-L251 WeakPolarHBondContact O-CG 3.3Å; L247-L251 PolarHBondContact O-N 3.33Å; A248-L251 PolarHBondContact O-N 2.82Å
252S93.9Very high97Very high99 Ų9954.7 Ų54.769%0.69230%0.299SS*.THydrogen-bonded Turntrans57.144.4-171.4-59.50000113.3A248 G249A248-S252 PolarHBondContact O-N 3.02Å; G249-S252 PolarHBondContact O-N 3.44Å
253C95.2Very high96.8Very high18 Ų1851.5 Ų51.512%0.12228%0.284CS..  trans-115163.2177.3-66.80000111.2L226 A248L226-C253 HydrophobicContact CD1-CB 4.4Å; L226-C253 HydrophobicContact CD2-CB 4.31Å; L226-C253 HydrophobicContact CG-CB 3.9Å; A248-C253 PolarHBondContact O-N 3.3Å
254K96.7Very high96.8Very high73 Ų7353 Ų5332%0.31729%0.291SS..EExtended strand (participates in β ladder)trans-80161.2165.8-61.8-65.1-173.71630110V224 I225 L226 Q276 L340V224-K254 PolarHBondContact O-N 3.1Å; I225-K254 HydrophobicContact CB-CB 4.42Å; I225-K254 HydrophobicContact CG1-CB 4.17Å; I225-K254 HydrophobicContact CG2-CB 4.08Å; L226-K254 PolarHBondContact N-O 2.83Å; K254-Q276 HydrophobicContact CG-CG 4.24Å; K254-L340 HydrophobicContact CB-CD2 4.16Å
255H98.3Very high96.7Very high28 Ų2855 Ų5513%0.1330%0.302CS..EExtended strand (participates in β ladder)trans-137.6136.2176.7-174-95000111.1F195 L226 G244 A248F195-H255 AromaticContact CE1-NE2 3.95Å; F195-H255 AromaticContact CZ-NE2 3.63Å; L226-H255 WeakPolarHBondContact O-CA 3.35Å; G244-H255 VanDerWaalsContact C-CD2 3.42Å; G244-H255 VanDerWaalsContact CA-NE2 3.34Å; G244-H255 WeakPolarHBondContact CA-NE2 3.34Å; G244-H255 PolarHBondContact O-CD2 3.32Å; G244-H255 VanDerWaalsContact O-CD2 3.3Å; A248-H255 HydrophobicContact CB-CB 3.62Å
256I98.6Very high96.7Very high13 Ų1348.8 Ų48.87%0.06728%0.28CS..EExtended strand (participates in β ladder)trans-142.8143.2170.9-167.8180000108.7I225 L226 V227 G228 T258 N265 E268 L269 L340I225-I256 HydrophobicContact CG2-CG2 4.07Å; L226-I256 PolarHBondContact O-N 2.84Å; L226-I256 VanDerWaalsContact O-N 3.08Å; V227-I256 WeakPolarHBondContact CA-O 3.4Å; V227-I256 HydrophobicContact CG2-CG2 4.39Å; G228-I256 PolarHBondContact N-O 2.9Å; I256-T258 HydrophobicContact CD1-CG2 4.42Å; I256-T258 HydrophobicContact CG1-CG2 4.43Å; I256-T258 HydrophobicContact CG2-CG2 4.27Å; I256-N265 HydrophobicContact CD1-CB 3.82Å; I256-N265 HydrophobicContact CG1-CB 4.15Å; I256-E268 HydrophobicContact CD1-CB 4.05Å; I256-L269 HydrophobicContact CD1-CB 4.13Å; I256-L269 HydrophobicContact CG2-CB 4.27Å; I256-L269 HydrophobicContact CG2-CD1 3.67Å; I256-L269 HydrophobicContact CG2-CG 4.46Å; I256-L340 HydrophobicContact CB-CD1 4.14Å; I256-L340 HydrophobicContact CD1-CD1 3.91Å; I256-L340 HydrophobicContact CG1-CD1 4.08Å
257E98.6Very high96.5Very high22 Ų2250 Ų5010%0.10328%0.279CS..EExtended strand (participates in β ladder)trans-99.8136.7168.1-70.6-168.2168.500109.6G228 R237 L241 N265G228-E257 CarbonylContact O-C 3.59Å; G228-E257 WeakPolarHBondContact O-CA 3.27Å; R237-E257 IonicContact CZ-OE1 2.71Å; R237-E257 IonicContact CZ-OE2 3.98Å; R237-E257 IonicContact NH1-OE1 3.83Å; R237-E257 PolarHBondContact NH1-OE1 3.5Å; R237-E257 IonicContact NH1-OE2 3.6Å; R237-E257 PolarHBondContact NH1-OE2 2.92Å; R237-E257 IonicContact NH2-OE1 3.57Å; R237-E257 IonicContact NH2-OE2 3.53Å; R237-E257 PolarHBondContact NH2-OE2 3.46Å; L241-E257 VanDerWaalsContact CA-OE1 3.29Å; L241-E257 WeakPolarHBondContact CA-OE1 3.3Å; L241-E257 WeakPolarHBondContact CB-OE1 3.49Å; L241-E257 HydrophobicContact CD1-CG 3.78Å; E257-N265 WeakPolarHBondContact O-CB 3.35Å; E257-N265 PolarHBondContact O-ND2 2.78Å
258T98.6Very high96.4Very high0 Ų052.9 Ų52.90%029%0.292CS..  trans-131.1158.2-176.1600000111.6V227 G228 N229 K230 S231 I256 H264 N265 L269V227-T258 HydrophobicContact CG1-CG2 3.97Å; V227-T258 WeakPolarHBondContact CG1-OG1 2.99Å; G228-T258 PolarHBondContact O-N 3.45Å; N229-T258 CarbonylContact C-O 3.38Å; N229-T258 WeakPolarHBondContact CA-O 3.29Å; N229-T258 PolarHBondContact OD1-O 2.77Å; N229-T258 PolarHBondContact OD1-OG1 2.72Å; K230-T258 PolarHBondContact N-O 3.14Å; S231-T258 PolarHBondContact N-O 2.78Å; S231-T258 VanDerWaalsContact OG-C 3.28Å; S231-T258 PolarHBondContact OG-O 3.33Å; S231-T258 VanDerWaalsContact OG-O 3.12Å; I256-T258 HydrophobicContact CD1-CG2 4.42Å; I256-T258 HydrophobicContact CG1-CG2 4.43Å; I256-T258 HydrophobicContact CG2-CG2 4.27Å; T258-H264 VanDerWaalsContact CA-O 3.32Å; T258-H264 WeakPolarHBondContact CA-O 3.14Å; T258-H264 WeakPolarHBondContact CB-O 3.21Å; T258-N265 HydrophobicContact CG2-CB 4.01Å; T258-N265 WeakPolarHBondContact CG2-O 3.38Å; T258-L269 HydrophobicContact CG2-CB 4.28Å; T258-L269 HydrophobicContact CG2-CD2 4.09Å
259S98Very high96.4Very high1 Ų152.8 Ų52.81%0.00729%0.291CS..BIsolated β-bridgetrans-124.5107.4159178.40000108.1D232 A261 L262 H263 H264D232-S259 WeakPolarHBondContact OD1-CB 3.3Å; D232-S259 PolarHBondContact OD1-OG 3.46Å; S259-A261 PolarHBondContact O-N 3.19Å; S259-L262 PolarHBondContact O-N 3.18Å; S259-L262 PolarHBondContact OG-N 3.12Å; S259-L262 VanDerWaalsContact OG-N 3.1Å; S259-H263 CarbonylContact O-C 3.6Å; S259-H263 WeakPolarHBondContact O-CA 3.39Å; S259-H263 PolarHBondContact O-N 3.41Å; S259-H264 PolarHBondContact N-O 3.03Å; S259-H264 PolarHBondContact O-N 3.03Å
260A95.6Very high96.4Very high2 Ų250.2 Ų50.22%0.01726%0.263CS..THydrogen-bonded Turntrans-59-40170.800000111.3T129 L130 T133 N229 L262 H263T129-A260 HydrophobicContact CG2-CB 3.79Å; L130-A260 HydrophobicContact CB-CB 4.17Å; L130-A260 HydrophobicContact CD1-CB 4.13Å; T133-A260 PolarHBondContact OG1-O 3.29Å; N229-A260 PolarHBondContact OD1-N 2.98Å; A260-L262 PolarHBondContact O-N 3.14Å; A260-H263 PolarHBondContact O-N 3.47Å
261A94.2Very high96.4Very high65 Ų6546.7 Ų46.754%0.53724%0.241SC..THydrogen-bonded Turntrans-67.4-30.1-178.400000114.2S259S259-A261 PolarHBondContact O-N 3.19Å
262L95.1Very high96.4Very high119 Ų11945.3 Ų45.362%0.62323%0.233SC*.THydrogen-bonded Turntrans-105.810.9176-56.7-171.7000113.3D232 S259 A260 H264D232-L262 HydrophobicContact CB-CD1 3.5Å; D232-L262 HydrophobicContact CB-CG 3.97Å; S259-L262 PolarHBondContact O-N 3.18Å; S259-L262 PolarHBondContact OG-N 3.12Å; S259-L262 VanDerWaalsContact OG-N 3.1Å; A260-L262 PolarHBondContact O-N 3.14Å; L262-H264 PolarHBondContact O-N 3.48Å
263H94.3Very high96.6Very high91 Ų9140.6 Ų40.642%0.42120%0.2SC..THydrogen-bonded Turntrans51.825.1-173.7-53.1-99.3000114.2T133 S259 A260 T266T133-H263 WeakPolarHBondContact CG2-ND1 3.49Å; S259-H263 CarbonylContact O-C 3.6Å; S259-H263 WeakPolarHBondContact O-CA 3.39Å; S259-H263 PolarHBondContact O-N 3.41Å; A260-H263 PolarHBondContact O-N 3.47Å; H263-T266 PolarHBondContact O-OG1 2.9Å
264H96.5Very high96.6Very high95 Ų9539.8 Ų39.844%0.4420%0.195SC..BIsolated β-bridgetrans-85.5126.7-175.3-177.154.8000111.3T258 S259 L262 T266T258-H264 VanDerWaalsContact CA-O 3.32Å; T258-H264 WeakPolarHBondContact CA-O 3.14Å; T258-H264 WeakPolarHBondContact CB-O 3.21Å; S259-H264 PolarHBondContact N-O 3.03Å; S259-H264 PolarHBondContact O-N 3.03Å; L262-H264 PolarHBondContact O-N 3.48Å; H264-T266 PolarHBondContact O-N 3.05Å; H264-T266 VanDerWaalsContact O-N 3.1Å
265N97.3Very high96.5Very high43 Ų4338 Ų3823%0.2319%0.186CC..THydrogen-bonded Turntrans58.212.8-178.2-59.6-22000114.8I256 E257 T258 E268 L269I256-N265 HydrophobicContact CD1-CB 3.82Å; I256-N265 HydrophobicContact CG1-CB 4.15Å; E257-N265 WeakPolarHBondContact O-CB 3.35Å; E257-N265 PolarHBondContact O-ND2 2.78Å; T258-N265 HydrophobicContact CG2-CB 4.01Å; T258-N265 WeakPolarHBondContact CG2-O 3.38Å; N265-E268 VanDerWaalsContact C-OE2 3.31Å; N265-E268 WeakPolarHBondContact CA-OE2 3.28Å; N265-L269 WeakPolarHBondContact O-CB 3.44Å; N265-L269 PolarHBondContact O-N 3.48Å; N265-L269 VanDerWaalsContact O-N 3.1Å
266T95.9Very high96.4Very high12 Ų1237.3 Ų37.37%0.07418%0.183CC..Hα-helixtrans-72.9-42.9-177.556.80000110.9L130 T133 H263 H264 L269 F270L130-T266 HydrophobicContact CD1-CG2 3.78Å; T133-T266 HydrophobicContact CG2-CG2 3.99Å; H263-T266 PolarHBondContact O-OG1 2.9Å; H264-T266 PolarHBondContact O-N 3.05Å; H264-T266 VanDerWaalsContact O-N 3.1Å; T266-L269 WeakPolarHBondContact O-CB 3.49Å; T266-L269 PolarHBondContact O-N 2.95Å; T266-F270 WeakPolarHBondContact O-CD2 3.47Å; T266-F270 PolarHBondContact O-N 3.09Å
267R94.3Very high96.1Very high159 Ų15936.8 Ų36.860%0.618%0.18SC*.Hα-helixtrans-60.2-50.5174.9177.6179.7173.1167.21.1110.9L269 F270 E271R267-L269 PolarHBondContact O-N 3.26Å; R267-F270 PolarHBondContact O-N 3.4Å; R267-E271 HydrophobicContact CG-CG 4.3Å; R267-E271 IonicContact CZ-OE1 3.14Å; R267-E271 VanDerWaalsContact CZ-OE1 3.24Å; R267-E271 IonicContact NE-OE1 3.34Å; R267-E271 PolarHBondContact NE-OE1 3.49Å; R267-E271 IonicContact NH2-OE1 2.73Å; R267-E271 PolarHBondContact NH2-OE1 3.07Å; R267-E271 WeakPolarHBondContact O-CG 3.31Å; R267-E271 PolarHBondContact O-N 2.8Å
268E96.8Very high95.8Very high89 Ų8938.2 Ų38.242%0.41618%0.184SC..Hα-helixtrans-58.9-32.7-179.8-65.678.4-179.700112I256 N265 G272I256-E268 HydrophobicContact CD1-CB 4.05Å; N265-E268 VanDerWaalsContact C-OE2 3.31Å; N265-E268 WeakPolarHBondContact CA-OE2 3.28Å; E268-G272 VanDerWaalsContact O-CA 3.32Å; E268-G272 WeakPolarHBondContact O-CA 3.22Å; E268-G272 PolarHBondContact O-N 2.74Å
269L98.1Very high95.4Very high0 Ų042 Ų420%021%0.205CC..Hα-helixtrans-66.1-43.8172.3168.464.5000112.9L130 L192 I225 V227 I256 T258 N265 T266 R267 G272 A273L130-L269 HydrophobicContact CD1-CD2 4.19Å; L130-L269 HydrophobicContact CD2-CD2 3.75Å; L130-L269 HydrophobicContact CG-CD2 4.36Å; L192-L269 HydrophobicContact CD1-CD1 3.98Å; L192-L269 HydrophobicContact CD1-CD2 4.06Å; L192-L269 HydrophobicContact CD1-CG 3.96Å; L192-L269 HydrophobicContact CD2-CD1 3.87Å; L192-L269 HydrophobicContact CG-CD1 4.46Å; I225-L269 HydrophobicContact CD1-CD1 4.49Å; I225-L269 HydrophobicContact CG2-CD1 4.02Å; V227-L269 HydrophobicContact CG1-CD2 3.81Å; V227-L269 HydrophobicContact CG2-CD1 3.52Å; V227-L269 HydrophobicContact CG2-CD2 3.96Å; V227-L269 HydrophobicContact CG2-CG 4.43Å; I256-L269 HydrophobicContact CD1-CB 4.13Å; I256-L269 HydrophobicContact CG2-CB 4.27Å; I256-L269 HydrophobicContact CG2-CD1 3.67Å; I256-L269 HydrophobicContact CG2-CG 4.46Å; T258-L269 HydrophobicContact CG2-CB 4.28Å; T258-L269 HydrophobicContact CG2-CD2 4.09Å; N265-L269 WeakPolarHBondContact O-CB 3.44Å; N265-L269 PolarHBondContact O-N 3.48Å; N265-L269 VanDerWaalsContact O-N 3.1Å; T266-L269 WeakPolarHBondContact O-CB 3.49Å; T266-L269 PolarHBondContact O-N 2.95Å; R267-L269 PolarHBondContact O-N 3.26Å; L269-G272 CarbonylContact O-C 3.48Å; L269-G272 VanDerWaalsContact O-CA 3.28Å; L269-G272 WeakPolarHBondContact O-CA 3.5Å; L269-G272 PolarHBondContact O-N 2.89Å; L269-A273 PolarHBondContact O-N 2.92Å
270F96.9Very high94.9Very high2 Ų244 Ų441%0.00921%0.212CC..Hα-helixtrans-79-37.6-177.1-69.2-69.2000112.6L130 F134 L165 V167 L192 T266 R267 G272 A273 V274L130-F270 HydrophobicContact CD1-CE2 4.44Å; L130-F270 HydrophobicContact CG-CE2 4.37Å; L130-F270 HydrophobicContact CG-CZ 4.15Å; F134-F270 HydrophobicContact CB-CD2 4.05Å; F134-F270 HydrophobicContact CB-CE1 4.41Å; F134-F270 HydrophobicContact CB-CE2 3.54Å; F134-F270 HydrophobicContact CB-CZ 3.73Å; F134-F270 HydrophobicContact CD2-CB 4.03Å; F134-F270 AromaticContact CD2-CD1 3.97Å; F134-F270 HydrophobicContact CD2-CD1 3.97Å; F134-F270 AromaticContact CD2-CD2 3.36Å; F134-F270 HydrophobicContact CD2-CD2 3.36Å; F134-F270 HydrophobicContact CD2-CE1 4.3Å; F134-F270 AromaticContact CD2-CE2 3.78Å; F134-F270 HydrophobicContact CD2-CE2 3.78Å; F134-F270 AromaticContact CD2-CG 3.49Å; F134-F270 HydrophobicContact CD2-CG 3.49Å; F134-F270 VanDerWaalsContact CD2-CG 3.49Å; F134-F270 HydrophobicContact CD2-CZ 4.22Å; F134-F270 HydrophobicContact CE2-CB 3.94Å; F134-F270 HydrophobicContact CE2-CD1 4.24Å; F134-F270 HydrophobicContact CE2-CD2 4.15Å; F134-F270 AromaticContact CE2-CG 3.84Å; F134-F270 HydrophobicContact CE2-CG 3.84Å; F134-F270 HydrophobicContact CG-CD1 4.35Å; F134-F270 AromaticContact CG-CD2 3.98Å; F134-F270 HydrophobicContact CG-CD2 3.98Å; F134-F270 HydrophobicContact CG-CE1 4.24Å; F134-F270 AromaticContact CG-CE2 3.91Å; F134-F270 HydrophobicContact CG-CE2 3.91Å; F134-F270 HydrophobicContact CG-CG 4.24Å; F134-F270 HydrophobicContact CG-CZ 4.03Å; L165-F270 HydrophobicContact CD1-CB 4Å; V167-F270 HydrophobicContact CG1-CE1 4.19Å; V167-F270 HydrophobicContact CG2-CD1 3.97Å; V167-F270 HydrophobicContact CG2-CE1 3.59Å; V167-F270 HydrophobicContact CG2-CZ 4.44Å; L192-F270 HydrophobicContact CD1-CD1 4.22Å; L192-F270 HydrophobicContact CD1-CE1 3.78Å; L192-F270 HydrophobicContact CD1-CZ 4.44Å; T266-F270 WeakPolarHBondContact O-CD2 3.47Å; T266-F270 PolarHBondContact O-N 3.09Å; R267-F270 PolarHBondContact O-N 3.4Å; F270-G272 PolarHBondContact O-N 3.04Å; F270-A273 PolarHBondContact O-N 2.98Å; F270-V274 PolarHBondContact O-N 3.24Å
271E96.1Very high94.5Very high21 Ų2147.4 Ų47.410%0.09822%0.224CC..Hα-helixtrans-59.3-43.1164.7-57.2-167.1-175.100109.9I156 V158 R267 A273 V274 R275I156-E271 HydrophobicContact CD1-CG 4.16Å; V158-E271 HydrophobicContact CG1-CB 4.24Å; V158-E271 HydrophobicContact CG2-CB 4.24Å; V158-E271 HydrophobicContact CG2-CG 4.07Å; R267-E271 HydrophobicContact CG-CG 4.3Å; R267-E271 IonicContact CZ-OE1 3.14Å; R267-E271 VanDerWaalsContact CZ-OE1 3.24Å; R267-E271 IonicContact NE-OE1 3.34Å; R267-E271 PolarHBondContact NE-OE1 3.49Å; R267-E271 IonicContact NH2-OE1 2.73Å; R267-E271 PolarHBondContact NH2-OE1 3.07Å; R267-E271 WeakPolarHBondContact O-CG 3.31Å; R267-E271 PolarHBondContact O-N 2.8Å; E271-A273 PolarHBondContact O-N 2.57Å; E271-V274 WeakPolarHBondContact O-CB 3.46Å; E271-V274 PolarHBondContact O-N 2.9Å; E271-R275 VanDerWaalsContact CB-NH1 3.28Å; E271-R275 PolarHBondContact O-N 3.04Å; E271-R275 IonicContact OE2-CZ 3.66Å; E271-R275 IonicContact OE2-NH1 3.91Å; E271-R275 PolarHBondContact OE2-NH1 3.38Å; E271-R275 IonicContact OE2-NH2 3.03Å; E271-R275 PolarHBondContact OE2-NH2 3Å
272G96.2Very high93.7Very high0 Ų046.2 Ų46.20%022%0.218CC..Hα-helixtrans-37.4-57.3165.300000114.8E268 L269 F270 Q276 L340E268-G272 VanDerWaalsContact O-CA 3.32Å; E268-G272 WeakPolarHBondContact O-CA 3.22Å; E268-G272 PolarHBondContact O-N 2.74Å; L269-G272 CarbonylContact O-C 3.48Å; L269-G272 VanDerWaalsContact O-CA 3.28Å; L269-G272 WeakPolarHBondContact O-CA 3.5Å; L269-G272 PolarHBondContact O-N 2.89Å; F270-G272 PolarHBondContact O-N 3.04Å; G272-Q276 VanDerWaalsContact O-CG 3.29Å; G272-Q276 WeakPolarHBondContact O-CG 3.42Å; G272-Q276 PolarHBondContact O-N 3.12Å; G272-Q276 VanDerWaalsContact O-N 3.12Å; G272-L340 WeakPolarHBondContact CA-OXT 3.41Å; G272-L340 PolarHBondContact N-OXT 2.81Å
273A96.6Very high92.4Very high0 Ų046.3 Ų46.30%022%0.216CC..Hα-helixtrans-60.4-46.7179.400000111.6V117 A190 L192 L269 F270 E271 Q276 I277V117-A273 HydrophobicContact CG2-CB 4.02Å; A190-A273 HydrophobicContact CB-CB 4.34Å; L192-A273 HydrophobicContact CD2-CB 4.37Å; L269-A273 PolarHBondContact O-N 2.92Å; F270-A273 PolarHBondContact O-N 2.98Å; E271-A273 PolarHBondContact O-N 2.57Å; A273-Q276 PolarHBondContact O-N 2.99Å; A273-I277 WeakPolarHBondContact O-CD1 3.46Å; A273-I277 VanDerWaalsContact O-CG1 3.25Å; A273-I277 WeakPolarHBondContact O-CG1 3.41Å; A273-I277 PolarHBondContact O-N 3.44Å
274V95.6Very high90.8Very high0 Ų046.3 Ų46.30%023%0.226CC..Hα-helixtrans-62-47.7-179173.60000111.7F115 V158 V163 L165 F270 E271 Q276 I277 R278F115-V274 HydrophobicContact CD2-CG1 4.17Å; F115-V274 HydrophobicContact CD2-CG2 4.13Å; F115-V274 HydrophobicContact CE2-CG1 3.95Å; V158-V274 HydrophobicContact CB-CB 4.44Å; V158-V274 HydrophobicContact CB-CG1 3.97Å; V158-V274 HydrophobicContact CG1-CB 4.2Å; V158-V274 HydrophobicContact CG1-CG1 3.93Å; V158-V274 HydrophobicContact CG2-CB 4.06Å; V158-V274 HydrophobicContact CG2-CG1 4Å; V158-V274 HydrophobicContact CG2-CG2 4.21Å; V163-V274 HydrophobicContact CG1-CG1 4.42Å; V163-V274 HydrophobicContact CG2-CG1 4.09Å; V163-V274 HydrophobicContact CG2-CG2 3.94Å; L165-V274 HydrophobicContact CD1-CG2 3.68Å; L165-V274 HydrophobicContact CD2-CG2 3.9Å; L165-V274 HydrophobicContact CG-CG2 3.78Å; F270-V274 PolarHBondContact O-N 3.24Å; E271-V274 WeakPolarHBondContact O-CB 3.46Å; E271-V274 PolarHBondContact O-N 2.9Å; V274-Q276 VanDerWaalsContact C-N 3.3Å; V274-Q276 PolarHBondContact O-N 3.14Å; V274-I277 PolarHBondContact O-N 2.8Å; V274-R278 HydrophobicContact CG1-CG 4.41Å; V274-R278 WeakPolarHBondContact O-CG 3.2Å; V274-R278 PolarHBondContact O-N 3.44Å
275R95.4Very high89Confident36 Ų3649.6 Ų49.614%0.13623%0.234CC..Hα-helixtrans-60.4-42.1177.6-59.4-160.3-17678.48.9110.8V158 D159 E271 I277 R278 L279 L340V158-R275 HydrophobicContact CG1-CG 3.86Å; D159-R275 VanDerWaalsContact CG-NE 3.27Å; D159-R275 IonicContact OD1-CZ 3.45Å; D159-R275 VanDerWaalsContact OD1-CZ 3.24Å; D159-R275 IonicContact OD1-NE 3.55Å; D159-R275 PolarHBondContact OD1-NE 3Å; D159-R275 IonicContact OD1-NH2 3.36Å; D159-R275 PolarHBondContact OD1-NH2 3.22Å; D159-R275 WeakPolarHBondContact OD2-CD 3.47Å; D159-R275 IonicContact OD2-NE 3.24Å; D159-R275 PolarHBondContact OD2-NE 2.79Å; E271-R275 VanDerWaalsContact CB-NH1 3.28Å; E271-R275 PolarHBondContact O-N 3.04Å; E271-R275 IonicContact OE2-CZ 3.66Å; E271-R275 IonicContact OE2-NH1 3.91Å; E271-R275 PolarHBondContact OE2-NH1 3.38Å; E271-R275 IonicContact OE2-NH2 3.03Å; E271-R275 PolarHBondContact OE2-NH2 3Å; R275-I277 PolarHBondContact O-N 2.87Å; R275-R278 PolarHBondContact O-N 3.49Å; R275-L279 WeakPolarHBondContact O-CB 3.48Å; R275-L279 WeakPolarHBondContact O-CD1 3.26Å; R275-L279 WeakPolarHBondContact O-CG 3.37Å; R275-L279 PolarHBondContact O-N 3.02Å; R275-L340 VanDerWaalsContact CB-OXT 3.26Å; R275-L340 WeakPolarHBondContact CB-OXT 3.01Å; R275-L340 WeakPolarHBondContact CD-OXT 3.26Å; R275-L340 WeakPolarHBondContact CG-OXT 2.96Å; R275-L340 PolarHBondContact NH1-O 3.48Å; R275-L340 PolarHBondContact NH1-OXT 3.39Å; R275-L340 VanDerWaalsContact NH1-OXT 3.11Å
276Q94.8Very high87.1Confident13 Ų1351.5 Ų51.56%0.06126%0.257CS..Hα-helixtrans-65.9-35.5176.7-66.5-57.8-6300113.6P223 I225 K254 G272 A273 V274 R280 V339P223-Q276 HydrophobicContact CB-CB 4.01Å; I225-Q276 HydrophobicContact CD1-CG 4.33Å; K254-Q276 HydrophobicContact CG-CG 4.24Å; G272-Q276 VanDerWaalsContact O-CG 3.29Å; G272-Q276 WeakPolarHBondContact O-CG 3.42Å; G272-Q276 PolarHBondContact O-N 3.12Å; G272-Q276 VanDerWaalsContact O-N 3.12Å; A273-Q276 PolarHBondContact O-N 2.99Å; V274-Q276 VanDerWaalsContact C-N 3.3Å; V274-Q276 PolarHBondContact O-N 3.14Å; Q276-R280 WeakPolarHBondContact O-CG 3.25Å; Q276-R280 PolarHBondContact O-N 2.89Å; Q276-V339 PolarHBondContact NE2-O 3.38Å
277I93.4Very high85.1Confident2 Ų254.2 Ų54.21%0.0129%0.287CS..Hα-helixtrans-66.5-50.8174.3-64.1158.4000110.5F115 D189 A190 P223 A273 V274 R275 L279 R280 R281F115-I277 HydrophobicContact CB-CD1 3.91Å; F115-I277 HydrophobicContact CD1-CB 4.31Å; F115-I277 HydrophobicContact CD1-CD1 4.02Å; F115-I277 HydrophobicContact CD1-CG2 3.57Å; F115-I277 HydrophobicContact CE1-CB 4.32Å; F115-I277 HydrophobicContact CE1-CG2 3.46Å; F115-I277 VanDerWaalsContact CE1-CG2 3.46Å; F115-I277 HydrophobicContact CG-CD1 4.02Å; F115-I277 HydrophobicContact CZ-CG2 4.37Å; D189-I277 HydrophobicContact CB-CD1 3.65Å; D189-I277 HydrophobicContact CB-CG1 3.97Å; D189-I277 HydrophobicContact CB-CG2 4.14Å; A190-I277 HydrophobicContact CB-CD1 3.8Å; A190-I277 HydrophobicContact CB-CG1 3.81Å; P223-I277 HydrophobicContact CB-CG1 4.36Å; P223-I277 HydrophobicContact CG-CB 4.5Å; P223-I277 HydrophobicContact CG-CG1 3.93Å; A273-I277 WeakPolarHBondContact O-CD1 3.46Å; A273-I277 VanDerWaalsContact O-CG1 3.25Å; A273-I277 WeakPolarHBondContact O-CG1 3.41Å; A273-I277 PolarHBondContact O-N 3.44Å; V274-I277 PolarHBondContact O-N 2.8Å; R275-I277 PolarHBondContact O-N 2.87Å; I277-L279 VanDerWaalsContact C-N 3.32Å; I277-L279 PolarHBondContact O-N 2.96Å; I277-R280 PolarHBondContact O-N 3.44Å; I277-R280 VanDerWaalsContact O-N 3.15Å; I277-R281 HydrophobicContact CG2-CG 4.21Å; I277-R281 PolarHBondContact O-N 3.07Å
278R92.2Very high82.9Confident52 Ų5249.7 Ų49.720%0.19629%0.29CS..Hα-helixtrans-54.4-47.3177.9-75.1176.3168.3158.9-1.5111.7F115 V158 D159 E161 V274 R275 R280 R281 G282F115-R278 HydrophobicContact CZ-CG 4.33Å; V158-R278 PolarHBondContact O-NH1 3.46Å; D159-R278 IonicContact OD2-NH1 3.66Å; E161-R278 IonicContact OE2-CZ 2.77Å; E161-R278 IonicContact OE2-NE 3.82Å; E161-R278 PolarHBondContact OE2-NE 3.18Å; E161-R278 IonicContact OE2-NH1 2.83Å; E161-R278 IonicContact OE2-NH2 2.84Å; E161-R278 PolarHBondContact OE2-NH2 3.02Å; V274-R278 HydrophobicContact CG1-CG 4.41Å; V274-R278 WeakPolarHBondContact O-CG 3.2Å; V274-R278 PolarHBondContact O-N 3.44Å; R275-R278 PolarHBondContact O-N 3.49Å; R278-R280 VanDerWaalsContact C-N 3.3Å; R278-R280 PolarHBondContact O-N 2.87Å; R278-R281 PolarHBondContact O-N 3.06Å; R278-G282 PolarHBondContact O-N 3.1Å
279L91.1Very high80.3Confident81 Ų8154.2 Ų54.242%0.42431%0.311SS..Hα-helixtrans-57.8-38179.1-76.7168.2000113R275 I277 Q283 V339R275-L279 WeakPolarHBondContact O-CB 3.48Å; R275-L279 WeakPolarHBondContact O-CD1 3.26Å; R275-L279 WeakPolarHBondContact O-CG 3.37Å; R275-L279 PolarHBondContact O-N 3.02Å; I277-L279 VanDerWaalsContact C-N 3.32Å; I277-L279 PolarHBondContact O-N 2.96Å; L279-Q283 WeakPolarHBondContact O-CG 2.99Å; L279-Q283 PolarHBondContact O-N 2.8Å; L279-Q283 PolarHBondContact O-NE2 2.77Å; L279-V339 HydrophobicContact CD1-CG1 4Å
280R87.7Confident77.6Confident41 Ų4163.9 Ų63.916%0.15535%0.347CS..Hα-helixtrans-82.9-40-179.2-63.3-175.8-160.8-145.411.1112.4D221 L222 Q276 I277 R278 G282 Q283 S284D221-R280 WeakPolarHBondContact O-CD 3.18Å; D221-R280 IonicContact OD1-CZ 3.15Å; D221-R280 IonicContact OD1-NH1 2.68Å; D221-R280 PolarHBondContact OD1-NH1 3.05Å; D221-R280 VanDerWaalsContact OD2-CD 3.23Å; D221-R280 WeakPolarHBondContact OD2-CD 3.32Å; D221-R280 WeakPolarHBondContact OD2-CG 3.33Å; D221-R280 IonicContact OD2-NE 2.73Å; D221-R280 IonicContact OD2-NH1 2.86Å; L222-R280 VanDerWaalsContact O-CZ 3.24Å; L222-R280 PolarHBondContact O-NH1 3.32Å; L222-R280 PolarHBondContact O-NH2 2.85Å; Q276-R280 WeakPolarHBondContact O-CG 3.25Å; Q276-R280 PolarHBondContact O-N 2.89Å; I277-R280 PolarHBondContact O-N 3.44Å; I277-R280 VanDerWaalsContact O-N 3.15Å; R278-R280 VanDerWaalsContact C-N 3.3Å; R278-R280 PolarHBondContact O-N 2.87Å; R280-G282 VanDerWaalsContact C-N 3.26Å; R280-G282 PolarHBondContact O-N 3.38Å; R280-Q283 PolarHBondContact O-N 2.88Å; R280-S284 PolarHBondContact O-N 2.86Å; R280-S284 VanDerWaalsContact O-N 3.11Å; R280-S284 PolarHBondContact O-OG 3.21Å
281R86.1Confident75Confident74 Ų7469.3 Ų69.328%0.27938%0.383SS..Hα-helixtrans-57.4-38.8171.1-72.3-172.7177.8-1685.5111.8D112 F115 D189 I277 R278 R285D112-R281 IonicContact OD1-CZ 3.46Å; D112-R281 IonicContact OD1-NH1 3.77Å; D112-R281 PolarHBondContact OD1-NH1 3.36Å; F115-R281 VanDerWaalsContact CE1-CZ 3.48Å; D189-R281 IonicContact OD1-CZ 3.91Å; D189-R281 IonicContact OD1-NE 2.67Å; D189-R281 IonicContact OD1-NH2 2.84Å; D189-R281 PolarHBondContact OD1-NH2 2.83Å; D189-R281 IonicContact OD2-NH2 3.73Å; I277-R281 HydrophobicContact CG2-CG 4.21Å; I277-R281 PolarHBondContact O-N 3.07Å; R278-R281 PolarHBondContact O-N 3.06Å; R281-R285 PolarHBondContact O-N 3.34Å
282G77.4Confident72.5Confident40 Ų4075.6 Ų75.641%0.41241%0.412SS..Hα-helixtrans-66-42.4175.300000114R278 R280 R285 A286R278-G282 PolarHBondContact O-N 3.1Å; R280-G282 VanDerWaalsContact C-N 3.26Å; R280-G282 PolarHBondContact O-N 3.38Å; G282-R285 PolarHBondContact O-N 2.66Å; G282-A286 PolarHBondContact O-N 2.75Å
283Q67Low70.1Confident121 Ų12180.9 Ų80.957%0.56545%0.446SS*.Hα-helixtrans-64.8-41178.1-76.7169.885.100112.5L279 R280 R285 A286 G287L279-Q283 WeakPolarHBondContact O-CG 2.99Å; L279-Q283 PolarHBondContact O-N 2.8Å; L279-Q283 PolarHBondContact O-NE2 2.77Å; R280-Q283 PolarHBondContact O-N 2.88Å; Q283-R285 VanDerWaalsContact C-N 3.25Å; Q283-R285 PolarHBondContact O-N 3.12Å; Q283-A286 PolarHBondContact O-N 3.19Å; Q283-A286 VanDerWaalsContact O-N 3.15Å; Q283-G287 PolarHBondContact O-N 2.83Å
284S60.9Low67.3Low92 Ų9284.4 Ų84.464%0.64348%0.483SS*.Hα-helixtrans-60.5-32.7175.9-60.40000113.2R280R280-S284 PolarHBondContact O-N 2.86Å; R280-S284 VanDerWaalsContact O-N 3.11Å; R280-S284 PolarHBondContact O-OG 3.21Å
285R58.6Low64.8Low163 Ų16389.9 Ų89.962%0.61552%0.522SS*.Hα-helixtrans-72.5-38174.8-76.5176.9160.5152.7-2.7112.3D112 R281 G282 Q283D112-R285 IonicContact OD2-NH1 3.25Å; D112-R285 PolarHBondContact OD2-NH1 3.01Å; R281-R285 PolarHBondContact O-N 3.34Å; G282-R285 PolarHBondContact O-N 2.66Å; Q283-R285 VanDerWaalsContact C-N 3.25Å; Q283-R285 PolarHBondContact O-N 3.12Å
286A57.7Low62.8Low84 Ų8493.7 Ų93.769%0.69455%0.551SS**Hα-helixtrans-72.5-25.7-179.100000114.1G282 Q283G282-A286 PolarHBondContact O-N 2.75Å; Q283-A286 PolarHBondContact O-N 3.19Å; Q283-A286 VanDerWaalsContact O-N 3.15Å
287G53.3Low60.4Low69 Ų69102.5 Ų102.571%0.71159%0.592SS**THydrogen-bonded Turntrans-79.2-11.1179.200000115.7Q283Q283-G287 PolarHBondContact O-N 2.83Å
288G48.5Very low57.9Low64 Ų64105.6 Ų105.666%0.6662%0.624SS**SBendtrans-86.5-15.8-170.200000116.4R290G288-R290 PolarHBondContact O-N 2.85Å
289Q43Very low55.7Low183 Ų183109.6 Ų109.686%0.85566%0.657SS**  trans-100.477.7-179.6-72.6-176.90.700111.6P291Q289-P291 WeakPolarHBondContact O-CD 3.26Å
290R41.1Very low53.4Low203 Ų203110.3 Ų110.377%0.76667%0.674SS**  trans-77.4118.9155.2177.1176.1171.6172.2-6107.1G288 E292G288-R290 PolarHBondContact O-N 2.85Å; R290-E292 PolarHBondContact O-N 2.85Å; R290-E292 VanDerWaalsContact O-N 3.15Å
291P42.5Very low51.7Low117 Ų117113.8 Ų113.876%0.7670%0.703SS**  trans-67.5115.617426.4-32000109.1Q289Q289-P291 WeakPolarHBondContact O-CD 3.26Å
292E43.9Very low49.9Very low152 Ų152116.4 Ų116.471%0.7173%0.729SS**  trans-64.2130.1169.3-78.1-61.8122.100109.6R290 G294R290-E292 PolarHBondContact O-N 2.85Å; R290-E292 VanDerWaalsContact O-N 3.15Å; E292-G294 VanDerWaalsContact C-N 3.29Å; E292-G294 PolarHBondContact O-N 2.84Å
293P45Very low48.4Very low111 Ų111119.6 Ų119.672%0.72175%0.751SS**  trans-77.979.217832.3-33.9000110.5S295P293-S295 PolarHBondContact O-N 3.45Å
294G38.9Very low47.4Very low75 Ų75125.5 Ų125.577%0.77377%0.769SS**  trans-69.6114.2170.100000111.9E292E292-G294 VanDerWaalsContact C-N 3.29Å; E292-G294 PolarHBondContact O-N 2.84Å
295S43.4Very low47Very low115 Ų115133 Ų13380%0.80478%0.783SS**  trans-77.2146157.4-57.30000108.4P293P293-S295 PolarHBondContact O-N 3.45Å
296P52.4Low46.4Very low115 Ų115132 Ų13275%0.74779%0.785SS**  -142.316968.734.9-15.2000116.9
297E44.4Very low46Very low198 Ų198131.9 Ų131.993%0.92578%0.779SS**  trans21.5114.2157.5-63-177114.400120.9
298G41.1Very low46.1Very low67 Ų67136.1 Ų136.169%0.69178%0.784SS**  trans-179.8138.5161.500000111.5
299P45.1Very low46.7Very low136 Ų136138 Ų13888%0.88378%0.783SS**PPolyproline II helixtrans-72.6141.4-173.528.9-34.3000112.8
300A44.1Very low47.3Very low96 Ų96135.4 Ų135.479%0.79377%0.769SS**PPolyproline II helixtrans-73.4140-168.500000114.6
301P50.8Low47.9Very low115 Ų115134 Ų13475%0.74777%0.769SS**PPolyproline II helixtrans-79.9158.7166.133.7-33.8000111.8
302P49.3Very low48.5Very low128 Ų128130.9 Ų130.983%0.83175%0.753SS**PPolyproline II helixtrans-70.8148.3-169.427.2-35.3000114.4R304P302-R304 PolarHBondContact O-N 2.84Å
303A45.5Very low49.1Very low107 Ų107131.9 Ų131.988%0.88476%0.755SS**  trans-60.1115.7-173.100000113.8
304R45.7Very low49.9Very low246 Ų246136.6 Ų136.693%0.92876%0.758SS**  trans-77.8121.3173.2-156.6173.2-171.61752.3109.6P302 E306P302-R304 PolarHBondContact O-N 2.84Å; R304-E306 PolarHBondContact O-N 3.23Å
305R53.1Low50.7Low248 Ų248140.1 Ų140.194%0.93675%0.753SS**  trans-43.2124.3-176.7-73.5173.1160.6-177.3-7113.3
306E44.6Very low51.5Low144 Ų144140.4 Ų140.467%0.67374%0.744SS**  trans-67137166.2-70.9-153.1115.600110.9R304 K310R304-E306 PolarHBondContact O-N 3.23Å; E306-K310 IonicContact OE1-NZ 2.72Å; E306-K310 PolarHBondContact OE1-NZ 2.87Å
307S51.3Low51.5Low80 Ų80138.4 Ų138.456%0.55974%0.738SS**  trans-73.3145.4176.353.70000111.9T309 K310S307-T309 PolarHBondContact O-N 3.16Å; S307-K310 PolarHBondContact O-N 3.49Å
308L53.8Low51.9Low158 Ų158136 Ų13683%0.82773%0.731SS**THydrogen-bonded Turntrans-59.3-9.9-170-72.5160.6000115.3
309T62Low52.5Low104 Ų104138.2 Ų138.264%0.63873%0.726SS**Hα-helixtrans-76.8-28.7-176.154.50000113.9S307S307-T309 PolarHBondContact O-N 3.16Å
310K55.2Low52.7Low128 Ų128137.5 Ų137.556%0.55772%0.719SS**Hα-helixtrans-74.3-37.4177.2-77.4-175.8-176.41750113E306 S307 K313 R314E306-K310 IonicContact OE1-NZ 2.72Å; E306-K310 PolarHBondContact OE1-NZ 2.87Å; S307-K310 PolarHBondContact O-N 3.49Å; K310-K313 PolarHBondContact O-N 3.33Å; K310-R314 PolarHBondContact O-N 3.5Å
311K53Low52.5Low175 Ų175138.3 Ų138.376%0.76172%0.717SS**Hα-helixtrans-67.7-40.5-176.9-147.9170.8-174.1177.80111.3K313 R314 F315K311-K313 VanDerWaalsContact C-N 3.33Å; K311-K313 PolarHBondContact O-N 3.46Å; K311-R314 PolarHBondContact O-N 3.05Å; K311-F315 PolarHBondContact O-N 3.16Å
312A55.3Low52.5Low51 Ų51144.2 Ų144.242%0.42172%0.724SS.*Hα-helixtrans-59.5-39.7171.700000112.8R314 F315 L316A312-R314 PolarHBondContact O-N 2.55Å; A312-F315 PolarHBondContact O-N 2.86Å; A312-L316 WeakPolarHBondContact O-CG 3.35Å; A312-L316 PolarHBondContact O-N 3.46Å
313K57.9Low51.9Low172 Ų172145.7 Ų145.775%0.74873%0.725SS**Hα-helixtrans-67.8-31.3-177.6-146.8173.3-1721790113.4K310 K311K310-K313 PolarHBondContact O-N 3.33Å; K311-K313 VanDerWaalsContact C-N 3.33Å; K311-K313 PolarHBondContact O-N 3.46Å
314R60.2Low51.4Low210 Ų210145.2 Ų145.279%0.79272%0.721SS**Hα-helixtrans-76.5-33.8170.3-78-176.1173.7165.7-1.5112.8K310 K311 A312 A317K310-R314 PolarHBondContact O-N 3.5Å; K311-R314 PolarHBondContact O-N 3.05Å; A312-R314 PolarHBondContact O-N 2.55Å; R314-A317 PolarHBondContact O-N 3.06Å
315F55.8Low50.9Low150 Ų150143.1 Ų143.166%0.65872%0.718SS**Hα-helixtrans-68.7-41.4179-155-96.3000112.2K311 A312 A317 N318 L319K311-F315 PolarHBondContact O-N 3.16Å; A312-F315 PolarHBondContact O-N 2.86Å; F315-A317 VanDerWaalsContact C-N 3.27Å; F315-A317 PolarHBondContact O-N 2.9Å; F315-N318 PolarHBondContact O-N 2.8Å; F315-L319 HydrophobicContact CD1-CD1 4.15Å; F315-L319 HydrophobicContact CE1-CD1 4.01Å
316L60Low50.6Low121 Ų121140.8 Ų140.863%0.63472%0.715SS**Hα-helixtrans-67.8-22.6176.5-68.8173.1000113.9A312 N318A312-L316 WeakPolarHBondContact O-CG 3.35Å; A312-L316 PolarHBondContact O-N 3.46Å; L316-N318 PolarHBondContact O-N 2.95Å
317A54.2Low50.3Low73 Ų73144 Ų14460%0.60373%0.727SS**THydrogen-bonded Turntrans-69.4-21.5177.300000113.4R314 F315R314-A317 PolarHBondContact O-N 3.06Å; F315-A317 VanDerWaalsContact C-N 3.27Å; F315-A317 PolarHBondContact O-N 2.9Å
318N52.3Low49.8Very low146 Ų146150 Ų15078%0.78174%0.744SS**THydrogen-bonded Turntrans-97.25-176.6-70.31.8000113.7F315 L316F315-N318 PolarHBondContact O-N 2.8Å; L316-N318 PolarHBondContact O-N 2.95Å
319L53.6Low48.9Very low114 Ų114151.2 Ų151.260%0.59775%0.745SS**  trans-11619.3-169.6-98.4165000114.9F315F315-L319 HydrophobicContact CD1-CD1 4.15Å; F315-L319 HydrophobicContact CE1-CD1 4.01Å
320V49.6Very low47.6Very low122 Ų122157.8 Ų157.874%0.73976%0.758SS**  trans-108.8109.8177.2-176.40000110.9
321P40Very low46.8Very low113 Ų113157.1 Ų157.173%0.73477%0.77SS**  trans-67.6142172.8-17.531.2000111.9N323P321-N323 PolarHBondContact O-N 2.84Å; P321-N323 VanDerWaalsContact O-N 3.15Å
322R50.5Low46.3Very low238 Ų238160.5 Ų160.590%0.89878%0.778SS**SBendtrans-72.9101.3169.5-77.1176.4166159.1-5.9110.3
323N36.1Very low45.5Very low160 Ų160161.8 Ų161.886%0.85678%0.783SS**  trans158.8108.4136.5-84.1-19.1000112P321P321-N323 PolarHBondContact O-N 2.84Å; P321-N323 VanDerWaalsContact O-N 3.15Å
324A34.4Very low44.8Very low96 Ų96159.4 Ų159.479%0.79379%0.787SS**  trans177.1127.9139.100000112.6
325K35.7Very low44Very low203 Ų203157.6 Ų157.688%0.88379%0.787SS**  trans27.5107.4143.8-59.1179.5-178178.40119.2
326F46.4Very low43.1Very low199 Ų199155 Ų15587%0.87378%0.78SS**  trans25.798.8133.4-106.2-95.5000118.3
327F39.8Very low42.6Very low211 Ų211155.8 Ų155.893%0.92578%0.784SS**  trans-157.276.1142.4-102.4-71.1000109.5Q329F327-Q329 PolarHBondContact O-N 2.74Å
328K39.2Very low42Very low206 Ų206156.3 Ų156.390%0.89678%0.784SS**  trans-88.194.2175.1-155.8170.5-173.3179.30110.1R330K328-R330 PolarHBondContact O-N 3.25Å
329Q36Very low41.4Very low184 Ų184151.8 Ų151.886%0.8676%0.761SS**  trans-18.7108.2166.2-171.6172.1-1700114F327 S331F327-Q329 PolarHBondContact O-N 2.74Å; Q329-S331 PolarHBondContact O-N 3.5Å
330R34.4Very low40.8Very low241 Ų241147.2 Ų147.291%0.90974%0.737SS**PPolyproline II helixtrans-58.6124.4174-95.3175.8158171.5-8.5110.1K328 R332K328-R330 PolarHBondContact O-N 3.25Å; R330-R332 PolarHBondContact O-N 2.81Å
331S38.1Very low40.4Very low115 Ų115148.5 Ų148.580%0.80474%0.737SS**PPolyproline II helixtrans-62.7116164.7-57.20000110Q329Q329-S331 PolarHBondContact O-N 3.5Å
332R42.3Very low40.4Very low246 Ų246150.4 Ų150.493%0.92874%0.738SS**PPolyproline II helixtrans-68.9141.1151.1-60.3176.4174.3-176.4-3.9105.7R330R330-R332 PolarHBondContact O-N 2.81Å
333S38.3Very low39.9Very low77 Ų77145.5 Ų145.554%0.53873%0.729SS.*  cis-139.1135.833.31780000112.5H335 D336S333-H335 PolarHBondContact OG-N 2.66Å; S333-D336 PolarHBondContact OG-N 2.69Å
334C42.8Very low40.1Very low123 Ų123144.6 Ų144.683%0.83172%0.721SS**SBendtrans-105.119.2162.4-54.50000111.6
335H44.6Very low40.4Very low172 Ų172147.7 Ų147.780%0.79672%0.717SS**  trans-114.5-3.7-172.8-84.964.4000113.5S333 L337S333-H335 PolarHBondContact OG-N 2.66Å; H335-L337 PolarHBondContact O-N 3.05Å
336D37.2Very low40.8Very low94 Ų94144 Ų14450%0.50371%0.706SS.*  trans-91.788.9-176.5-147.8-18.3000111.4S333 S338 V339S333-D336 PolarHBondContact OG-N 2.69Å; D336-S338 VanDerWaalsContact CG-OG 3.28Å; D336-S338 PolarHBondContact O-N 3.05Å; D336-S338 VanDerWaalsContact OD1-CB 3.31Å; D336-S338 WeakPolarHBondContact OD1-CB 2.96Å; D336-S338 PolarHBondContact OD1-N 3.4Å; D336-S338 PolarHBondContact OD1-OG 3.45Å; D336-V339 HydrophobicContact CB-CG2 4.45Å
337L48.9Very low40.4Very low138 Ų138140.1 Ų140.172%0.72369%0.694SS**G310 helixtrans-72.5-4.6172.7-67.1173.6000112.5H335 V339 L340H335-L337 PolarHBondContact O-N 3.05Å; L337-V339 PolarHBondContact O-N 3.41Å; L337-L340 HydrophobicContact CD2-CD1 3.93Å; L337-L340 PolarHBondContact O-N 3.44Å
338S40.9Very low40.4Very low85 Ų85134.6 Ų134.659%0.59468%0.676SS**G310 helixtrans-73.5-317274.40000114.1D336D336-S338 VanDerWaalsContact CG-OG 3.28Å; D336-S338 PolarHBondContact O-N 3.05Å; D336-S338 VanDerWaalsContact OD1-CB 3.31Å; D336-S338 WeakPolarHBondContact OD1-CB 2.96Å; D336-S338 PolarHBondContact OD1-N 3.4Å; D336-S338 PolarHBondContact OD1-OG 3.45Å
339V39.5Very low40.5Very low50 Ų50128.7 Ų128.730%0.30366%0.657SS.*G310 helixtrans-118.815.4179.6-156.40000112Q276 L279 D336 L337Q276-V339 PolarHBondContact NE2-O 3.38Å; L279-V339 HydrophobicContact CD1-CG1 4Å; D336-V339 HydrophobicContact CB-CG2 4.45Å; L337-V339 PolarHBondContact O-N 3.41Å
340L42.8Very low40.9Very low19 Ų19123.6 Ų123.610%0.09964%0.639CS.*  trans-89.40143.2-64.7176.1000104.7K254 I256 G272 R275 L337K254-L340 HydrophobicContact CB-CD2 4.16Å; I256-L340 HydrophobicContact CB-CD1 4.14Å; I256-L340 HydrophobicContact CD1-CD1 3.91Å; I256-L340 HydrophobicContact CG1-CD1 4.08Å; G272-L340 WeakPolarHBondContact CA-OXT 3.41Å; G272-L340 PolarHBondContact N-OXT 2.81Å; R275-L340 VanDerWaalsContact CB-OXT 3.26Å; R275-L340 WeakPolarHBondContact CB-OXT 3.01Å; R275-L340 WeakPolarHBondContact CD-OXT 3.26Å; R275-L340 WeakPolarHBondContact CG-OXT 2.96Å; R275-L340 PolarHBondContact NH1-O 3.48Å; R275-L340 PolarHBondContact NH1-OXT 3.39Å; R275-L340 VanDerWaalsContact NH1-OXT 3.11Å; L337-L340 HydrophobicContact CD2-CD1 3.93Å; L337-L340 PolarHBondContact O-N 3.44Å

Retrieved 340 of 340 residues in 300.5 ms (Link to these results)