Z4YK23_MOUSE Loading...

WD repeat-containing protein 76

Specifically binds 5-hydroxymethylcytosine (5hmC), suggesting that it acts as a specific reader of 5hmC.

AlphaFold DB , UniProt , Accession Z4YK23, Species MOUSE (Mus musculus, Mouse), Gene Wdr76, Length 320 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M37.6Very low35.9Very low242 Ų242144.5 Ų144.5100%1.19282%0.816SS**  0123.20-77.3179.8-172.900108.5
2K35.3Very low35.9Very low202 Ų202145.8 Ų145.888%0.87882%0.818SS**  trans40.1114150.4-68.4175.1175.3176.30118.8
3A37Very low35.4Very low87 Ų87147.4 Ų147.472%0.71982%0.822SS**  68.7126.480.900000112.4
4L40.7Very low35.3Very low165 Ų165150.6 Ų150.686%0.86482%0.823SS**  -168143.172.7-72.4158.5000107.8
5S34.9Very low35Very low103 Ų103148.2 Ų148.272%0.7282%0.821SS**  cis81.7110.648.1177.60000116.7
6S40.7Very low34.6Very low115 Ų115146.1 Ų146.180%0.80482%0.82SS**  trans-171.9125134.554.10000107.1
7K36.6Very low34.3Very low197 Ų197144.4 Ų144.486%0.85781%0.813SS**  cis86.9130.824.3-130-171.4-168.7-170.50116.1
8A36.3Very low34Very low84 Ų84145.3 Ų145.369%0.69482%0.816SS**  trans107.7136.8160.900000116.4
9D33.1Very low33.6Very low139 Ų139141.7 Ų141.774%0.74381%0.807SS**  cis-171.7151.4-12.5-106.5-24.8000110.8
10S33.3Very low33.2Very low94 Ų94146.3 Ų146.366%0.65781%0.812SS**  trans37.3137.6144.369.80000121.8
11L29.8Very low33.1Very low161 Ų161144.9 Ų144.984%0.84381%0.808SS**  -160.9128.469.8-89.2162.1000112.9
12L35.4Very low32.7Very low161 Ų161141.7 Ų141.784%0.84379%0.79SS**  trans-89143.4160.4-82.2163.7000109.2
13L29.5Very low32.5Very low166 Ų166137 Ų13787%0.86978%0.782SS**  trans-128.3109.7160.6-107.8152.3000108.9
14K34Very low32.1Very low193 Ų193138.9 Ų138.984%0.83979%0.785SS**  trans-112.2145.6161.3-82.8-176.5175.3-179.60107.7
15S30.9Very low31.6Very low114 Ų114142 Ų14280%0.79779%0.786SS**  trans166.7158.5145.255.50000107.2
16S29.3Very low31.4Very low114 Ų114145.6 Ų145.680%0.79780%0.796SS**  cis-163.7155.3-16.71760000105.5
17V29.3Very low30.7Very low117 Ų117143.2 Ų143.271%0.70979%0.789SS**  trans-73.7142.2168.1174.30000109.5
18D27.4Very low30.4Very low161 Ų161140.4 Ų140.486%0.86179%0.791SS**  -173.7154.4122.6-97.8-23.8000114.5
19A28.1Very low30.1Very low78 Ų78146.4 Ų146.465%0.64580%0.801SS**  trans-75.6159.5-157.600000117.3
20Y25.3Very low29.9Very low233 Ų233151.4 Ų151.491%0.91481%0.81SS**  trans-150.4132.4131.9-99.1-78.2000111
21T30Very low29.6Very low117 Ų117153.6 Ų153.672%0.71882%0.819SS**  trans-63.3165.317042.60000111.3
22E30.7Very low29.7Very low175 Ų175150.5 Ų150.582%0.81881%0.811SS**  cis-172160.722.1-141174.7-170.500110.5
23S29.5Very low29.3Very low102 Ų102150 Ų15071%0.71381%0.809SS**  trans68.3134.9148-1380000119.3
24T28.4Very low29.4Very low127 Ų127147.1 Ų147.178%0.77980%0.803SS**  cis-156.3132.738.7-51.50000111.2
25R31.1Very low29.1Very low232 Ų232142.8 Ų142.888%0.87580%0.803SS**  trans-77.6151.5170-66.8174176.5-167.1-2.1110.6
26L29.7Very low29.1Very low178 Ų178143.6 Ų143.693%0.93280%0.803SS**  -157.8119.8129.4-85.9-172.3000110.1
27G26.8Very low29Very low64 Ų64146.2 Ų146.266%0.6681%0.808SS**PPolyproline II helixtrans-94.1171.8172.600000112.7
28P30.1Very low29Very low139 Ų139145.4 Ų145.490%0.90381%0.807SS**PPolyproline II helixtrans-86.4123.3-178.231.5-28.2000111.4
29K29.5Very low29.2Very low209 Ų209144.1 Ų144.191%0.90981%0.805SS**PPolyproline II helixtrans-93.3133.3166.7-88.7-176.2175.1179.60110.1
30R30.7Very low29.2Very low245 Ų245147.3 Ų147.393%0.92581%0.811SS**PPolyproline II helixtrans-74.1146.2161.2-70.7178.1171.7-177.3-3110.1
31T26.2Very low29.7Very low140 Ų140140.4 Ų140.486%0.85980%0.802SS**  trans-147.5142.614651.20000110.4
32S32.6Very low29.6Very low96 Ų96143.9 Ų143.967%0.67181%0.81SS**  trans-69.4153.4170.146.80000112.1
33D27Very low30Very low149 Ų149140.5 Ų140.580%0.79781%0.806SS**  172.5161.396-105.4-33.6000113.9
34S30.1Very low30.1Very low107 Ų107141 Ų14175%0.74881%0.809SS**  trans-52.9149.4-175.957.20000118.5
35A28.6Very low30.8Very low101 Ų101142.5 Ų142.584%0.83581%0.813SS**  -170.3128.7127.800000111.5
36T30.1Very low31.2Very low131 Ų131139 Ų13980%0.80481%0.806SS**  trans-67.6147.4165.446.20000111.8
37L27.5Very low32Very low170 Ų170138.3 Ų138.389%0.8980%0.804SS**  trans-171.4129.7137.3-99167.1000110.9
38S30.6Very low32.7Very low100 Ų100139.8 Ų139.870%0.69980%0.804SS**  trans-72.4158.5168.8440000112.6
39V31.6Very low33.7Very low134 Ų134137.1 Ų137.181%0.81279%0.794SS**  168.2148.1126.7162.70000110.2
40D27.3Very low34.4Very low144 Ų144132.7 Ų132.777%0.7779%0.786SS**  trans-65.3169-162.9-55.7-82.6000119.6
41A36.4Very low34.9Very low88 Ų88123.8 Ų123.873%0.72777%0.77SS**  trans63.5117.7140.800000119.2
42E28Very low36.2Very low190 Ų190124 Ų12489%0.88877%0.766SS**  -177.9147.788.4-85.4-162.1145.100110.8
43S38.8Very low37.3Very low104 Ų104126.7 Ų126.773%0.72777%0.773SS**  trans-68.7142.4172.761.50000111.4
44S30.5Very low38.7Very low112 Ų112126 Ų12678%0.78377%0.768SS**  trans-154.598.9150.6-720000108.5E46S44-E46 PolarHBondContact O-N 3.2Å
45D44.2Very low39.9Very low159 Ų159125.2 Ų125.285%0.8575%0.752SS**  trans-63.5113.7161.8-73.8-51.2000108.3
46E38.7Very low41.6Very low160 Ų160125.7 Ų125.775%0.74875%0.749SS**  trans-125.992.2163.8-77.9-67.3162.700108.2S44 S48S44-E46 PolarHBondContact O-N 3.2Å; E46-S48 PolarHBondContact O-N 3.12Å
47D47.5Very low43.6Very low163 Ų163123 Ų12387%0.87275%0.748SS**  trans-67.476168.4-162.111.9000108.8A49D47-A49 PolarHBondContact O-N 3.22Å
48S41Very low46.2Very low94 Ų94117.4 Ų117.466%0.65772%0.718SS**  trans-88.686.9175.3-79.50000110.2E46 P50E46-S48 PolarHBondContact O-N 3.12Å; S48-P50 WeakPolarHBondContact O-CD 3.35Å
49A50.6Low48.9Very low84 Ų84114.9 Ų114.969%0.69470%0.7SS**PPolyproline II helixtrans-58.5120.5158.800000108.8D47 G51D47-A49 PolarHBondContact O-N 3.22Å; A49-G51 PolarHBondContact O-N 3.27Å; A49-G51 VanDerWaalsContact O-N 3.11Å
50P43.9Very low51.5Low115 Ų115113.9 Ų113.975%0.74770%0.697SS**PPolyproline II helixtrans-65.7120.8178.723.5-29.9000109.5S48S48-P50 WeakPolarHBondContact O-CD 3.35Å
51G42.1Very low54.3Low58 Ų58115.2 Ų115.260%0.59869%0.692SS**PPolyproline II helixtrans-56.1160.7174.100000112.5A49 D53A49-G51 PolarHBondContact O-N 3.27Å; A49-G51 VanDerWaalsContact O-N 3.11Å; G51-D53 PolarHBondContact O-N 3.44Å
52L54Low56.6Low146 Ų146114.8 Ų114.876%0.76468%0.675SS**THydrogen-bonded Turntrans-62.816.5-161.5-87.6161.4000118.5
53D53.9Low59.6Low152 Ų152111 Ų11181%0.81365%0.653SS**THydrogen-bonded Turntrans-130.616.4-170.9-79.7-40000117.2G51G51-D53 PolarHBondContact O-N 3.44Å
54D56.7Low62Low133 Ų133112.4 Ų112.471%0.71165%0.646SS**  trans-104.831.3-176.4-133.910.8000115.5
55F56.7Low65Low91 Ų91113.8 Ų113.840%0.39963%0.634SS.*  trans-107.610.1-178.2-65.9-83.5000114.6G57 L58 R63 L66F55-G57 PolarHBondContact O-N 2.97Å; F55-G57 VanDerWaalsContact O-N 3.14Å; F55-L58 HydrophobicContact CD1-CD1 3.51Å; F55-L58 HydrophobicContact CE1-CD1 4.02Å; F55-L58 PolarHBondContact O-N 3.41Å; F55-R63 PolarHBondContact O-NH2 3.38Å; F55-R63 VanDerWaalsContact O-NH2 3.14Å; F55-L66 HydrophobicContact CE1-CD1 3.88Å
56S62.5Low67.2Low111 Ų111109.7 Ų109.778%0.77661%0.611SS**THydrogen-bonded Turntrans-64.8-17.4-174.157.60000113.9
57G72.9Confident69.8Low75 Ų75109.2 Ų109.277%0.77360%0.603SS**THydrogen-bonded Turntrans-102.5-3.917800000117.1F55F55-G57 PolarHBondContact O-N 2.97Å; F55-G57 VanDerWaalsContact O-N 3.14Å
58L82.2Confident71.9Confident53 Ų53105.2 Ų105.228%0.27758%0.582SS.*  trans-96140.7-170.2-72.1165.3000113.3F55 E62 R63 L66F55-L58 HydrophobicContact CD1-CD1 3.51Å; F55-L58 HydrophobicContact CE1-CD1 4.02Å; F55-L58 PolarHBondContact O-N 3.41Å; L58-E62 HydrophobicContact CB-CB 4.32Å; L58-E62 HydrophobicContact CD2-CB 4.07Å; L58-R63 HydrophobicContact CB-CG 4.08Å; L58-R63 PolarHBondContact O-NE 2.65Å; L58-R63 PolarHBondContact O-NH2 3.07Å; L58-L66 HydrophobicContact CD1-CD1 3.84Å
59S86.8Confident74.3Confident46 Ų46104.7 Ų104.732%0.32257%0.571SS.*  trans-65.5158177.569.50000112Y61 E62 R63S59-Y61 PolarHBondContact O-N 3.4Å; S59-Y61 VanDerWaalsContact O-N 3.14Å; S59-E62 WeakPolarHBondContact CB-OE2 3.46Å; S59-E62 PolarHBondContact N-OE2 2.68Å; S59-E62 PolarHBondContact O-N 3.46Å; S59-E62 VanDerWaalsContact O-N 3.13Å; S59-E62 VanDerWaalsContact OG-CG 3.31Å; S59-E62 WeakPolarHBondContact OG-CG 3.39Å; S59-E62 PolarHBondContact OG-N 3.42Å; S59-E62 PolarHBondContact OG-OE2 3.07Å; S59-R63 WeakPolarHBondContact O-CG 3.45Å; S59-R63 PolarHBondContact O-N 3.41Å; S59-R63 VanDerWaalsContact O-N 3.1Å
60P87.8Confident76.4Confident113 Ų113108.3 Ų108.373%0.73457%0.566SS**Hα-helixtrans-55.8-33.1179.1-25.934.3000113.8K64P60-K64 PolarHBondContact O-N 3.34Å
61Y84.7Confident78.7Confident172 Ų172108 Ų10868%0.67556%0.555SS**Hα-helixtrans-71-44.9177.6175.8-103.7000112.2S59 R63 K64 R65S59-Y61 PolarHBondContact O-N 3.4Å; S59-Y61 VanDerWaalsContact O-N 3.14Å; Y61-R63 VanDerWaalsContact C-N 3.32Å; Y61-R63 PolarHBondContact O-N 3.36Å; Y61-K64 PolarHBondContact O-N 2.94Å; Y61-K64 VanDerWaalsContact O-N 3.15Å; Y61-R65 WeakPolarHBondContact O-CB 3.49Å; Y61-R65 PolarHBondContact O-N 3.48Å
62E85.7Confident80.9Confident80 Ų80109.6 Ų109.637%0.37455%0.55SS..Hα-helixtrans-64.1-39.7179.7-72.2161.5150.700111.5L58 S59 K64 R65 L66L58-E62 HydrophobicContact CB-CB 4.32Å; L58-E62 HydrophobicContact CD2-CB 4.07Å; S59-E62 WeakPolarHBondContact CB-OE2 3.46Å; S59-E62 PolarHBondContact N-OE2 2.68Å; S59-E62 PolarHBondContact O-N 3.46Å; S59-E62 VanDerWaalsContact O-N 3.13Å; S59-E62 VanDerWaalsContact OG-CG 3.31Å; S59-E62 WeakPolarHBondContact OG-CG 3.39Å; S59-E62 PolarHBondContact OG-N 3.42Å; S59-E62 PolarHBondContact OG-OE2 3.07Å; E62-K64 VanDerWaalsContact C-N 3.32Å; E62-K64 PolarHBondContact O-N 3.05Å; E62-R65 PolarHBondContact O-N 3.4Å; E62-L66 WeakPolarHBondContact O-CB 3.49Å; E62-L66 WeakPolarHBondContact O-CG 3.5Å; E62-L66 PolarHBondContact O-N 2.95Å
63R89.7Confident82.5Confident110 Ų110105.3 Ų105.342%0.41554%0.535SS..Hα-helixtrans-59.4-43.4173-64.8-179.5-160.6-163.71.8111.7F55 L58 S59 Y61 R67F55-R63 PolarHBondContact O-NH2 3.38Å; F55-R63 VanDerWaalsContact O-NH2 3.14Å; L58-R63 HydrophobicContact CB-CG 4.08Å; L58-R63 PolarHBondContact O-NE 2.65Å; L58-R63 PolarHBondContact O-NH2 3.07Å; S59-R63 WeakPolarHBondContact O-CG 3.45Å; S59-R63 PolarHBondContact O-N 3.41Å; S59-R63 VanDerWaalsContact O-N 3.1Å; Y61-R63 VanDerWaalsContact C-N 3.32Å; Y61-R63 PolarHBondContact O-N 3.36Å; R63-R67 WeakPolarHBondContact O-CB 3.47Å; R63-R67 PolarHBondContact O-N 2.97Å
64K90.3Very high84.2Confident133 Ų133102.6 Ų102.658%0.57852%0.521SS*.Hα-helixtrans-67.1-40.7177.3-171.1173.6-175.8176.40111.8P60 Y61 E62 R67 N68P60-K64 PolarHBondContact O-N 3.34Å; Y61-K64 PolarHBondContact O-N 2.94Å; Y61-K64 VanDerWaalsContact O-N 3.15Å; E62-K64 VanDerWaalsContact C-N 3.32Å; E62-K64 PolarHBondContact O-N 3.05Å; K64-R67 PolarHBondContact O-N 3.18Å; K64-N68 PolarHBondContact O-N 3.44Å; K64-N68 PolarHBondContact O-OD1 3.01Å
65R93.9Very high85.8Confident142 Ų142101.9 Ų101.954%0.53651%0.511SS..Hα-helixtrans-63.2-46.5176.9-178179.4170-118.6-2.7111.3Y61 E62 R67 N68 I69Y61-R65 WeakPolarHBondContact O-CB 3.49Å; Y61-R65 PolarHBondContact O-N 3.48Å; E62-R65 PolarHBondContact O-N 3.4Å; R65-R67 VanDerWaalsContact C-N 3.33Å; R65-R67 PolarHBondContact O-N 2.92Å; R65-N68 PolarHBondContact O-N 3.43Å; R65-I69 HydrophobicContact CG-CD1 3.99Å; R65-I69 VanDerWaalsContact O-CG1 3.3Å; R65-I69 WeakPolarHBondContact O-CG1 3.39Å; R65-I69 PolarHBondContact O-N 3.19Å
66L90.8Very high87Confident72 Ų72103.7 Ų103.738%0.37752%0.519SS..Hα-helixtrans-65.2-37.2178.2-71.4172.3000111.9F55 L58 E62 I69 R70F55-L66 HydrophobicContact CE1-CD1 3.88Å; L58-L66 HydrophobicContact CD1-CD1 3.84Å; E62-L66 WeakPolarHBondContact O-CB 3.49Å; E62-L66 WeakPolarHBondContact O-CG 3.5Å; E62-L66 PolarHBondContact O-N 2.95Å; L66-I69 HydrophobicContact CD2-CD1 4.49Å; L66-I69 PolarHBondContact O-N 3.23Å; L66-R70 WeakPolarHBondContact O-CB 3.46Å; L66-R70 PolarHBondContact O-N 3.4Å
67R92.4Very high88Confident151 Ų151101.9 Ų101.957%0.5751%0.511SS*.Hα-helixtrans-60.9-47.1172.2-169-179.4-61150.21.4111.8R63 K64 R65 I69 R70 E71R63-R67 WeakPolarHBondContact O-CB 3.47Å; R63-R67 PolarHBondContact O-N 2.97Å; K64-R67 PolarHBondContact O-N 3.18Å; R65-R67 VanDerWaalsContact C-N 3.33Å; R65-R67 PolarHBondContact O-N 2.92Å; R67-I69 VanDerWaalsContact C-N 3.34Å; R67-I69 PolarHBondContact O-N 3.32Å; R67-R70 PolarHBondContact O-N 3.38Å; R67-E71 WeakPolarHBondContact CG-OE1 3.47Å; R67-E71 WeakPolarHBondContact O-CB 3.39Å; R67-E71 WeakPolarHBondContact O-CG 3.44Å; R67-E71 PolarHBondContact O-N 3.1Å
68N91.5Very high88.6Confident79 Ų79102.3 Ų102.342%0.42250%0.502SS..Hα-helixtrans-61.5-41.2175.9-7510.9000112.2K64 R65 R70 E71 N72K64-N68 PolarHBondContact O-N 3.44Å; K64-N68 PolarHBondContact O-OD1 3.01Å; R65-N68 PolarHBondContact O-N 3.43Å; N68-R70 VanDerWaalsContact C-N 3.33Å; N68-E71 PolarHBondContact O-N 3.09Å; N68-N72 WeakPolarHBondContact O-CB 3.46Å; N68-N72 PolarHBondContact O-N 3.44Å
69I91.6Very high88.5Confident83 Ų83103.4 Ų103.443%0.42651%0.508SS..Hα-helixtrans-62.1-44.3176.9-70165.9000110.1R65 L66 R67 N72 A73R65-I69 HydrophobicContact CG-CD1 3.99Å; R65-I69 VanDerWaalsContact O-CG1 3.3Å; R65-I69 WeakPolarHBondContact O-CG1 3.39Å; R65-I69 PolarHBondContact O-N 3.19Å; L66-I69 HydrophobicContact CD2-CD1 4.49Å; L66-I69 PolarHBondContact O-N 3.23Å; R67-I69 VanDerWaalsContact C-N 3.34Å; R67-I69 PolarHBondContact O-N 3.32Å; I69-N72 PolarHBondContact O-N 2.84Å; I69-A73 WeakPolarHBondContact O-CB 3.33Å; I69-A73 PolarHBondContact O-N 2.95Å
70R93.4Very high87.8Confident159 Ų159106.7 Ų106.760%0.652%0.518SS*.Hα-helixtrans-65.2-44.6178.5-172.4176.9-176.7173.41.4112.3L66 R67 N68 N72 A73 N74L66-R70 WeakPolarHBondContact O-CB 3.46Å; L66-R70 PolarHBondContact O-N 3.4Å; R67-R70 PolarHBondContact O-N 3.38Å; N68-R70 VanDerWaalsContact C-N 3.33Å; R70-N72 VanDerWaalsContact C-N 3.34Å; R70-N72 PolarHBondContact O-N 3.45Å; R70-A73 PolarHBondContact O-N 3.25Å; R70-N74 WeakPolarHBondContact O-CB 3.33Å; R70-N74 VanDerWaalsContact O-CG 3.27Å; R70-N74 PolarHBondContact O-N 3.08Å
71E92.9Very high86.8Confident108 Ų108105.8 Ų105.851%0.50551%0.507SS..Hα-helixtrans-62.1-42.4176.6-74.8172-169.300111.4R67 N68 N74 F75R67-E71 WeakPolarHBondContact CG-OE1 3.47Å; R67-E71 WeakPolarHBondContact O-CB 3.39Å; R67-E71 WeakPolarHBondContact O-CG 3.44Å; R67-E71 PolarHBondContact O-N 3.1Å; N68-E71 PolarHBondContact O-N 3.09Å; E71-N74 PolarHBondContact O-N 3.39Å; E71-F75 WeakPolarHBondContact O-CB 3.37Å; E71-F75 PolarHBondContact O-N 3.33Å
72N88.1Confident85.7Confident93 Ų93101.2 Ų101.250%0.49751%0.505SS..Hα-helixtrans-63.5-44.8174.8-73.2-8.3000111.6N68 I69 R70 N74 F75 F76N68-N72 WeakPolarHBondContact O-CB 3.46Å; N68-N72 PolarHBondContact O-N 3.44Å; I69-N72 PolarHBondContact O-N 2.84Å; R70-N72 VanDerWaalsContact C-N 3.34Å; R70-N72 PolarHBondContact O-N 3.45Å; N72-N74 VanDerWaalsContact C-N 3.35Å; N72-N74 PolarHBondContact O-N 3.1Å; N72-F75 WeakPolarHBondContact O-CB 3.31Å; N72-F75 PolarHBondContact O-N 3.34Å; N72-F76 HydrophobicContact CB-CE2 4.49Å; N72-F76 WeakPolarHBondContact O-CD2 3.44Å; N72-F76 PolarHBondContact O-N 3.41Å
73A88.2Confident84.5Confident55 Ų55103.4 Ų103.446%0.45552%0.515SS..Hα-helixtrans-60-45.2177.400000111.5I69 R70 F75 F76 A77I69-A73 WeakPolarHBondContact O-CB 3.33Å; I69-A73 PolarHBondContact O-N 2.95Å; R70-A73 PolarHBondContact O-N 3.25Å; A73-F75 PolarHBondContact O-N 3.14Å; A73-F76 PolarHBondContact O-N 2.86Å; A73-A77 WeakPolarHBondContact O-CB 3.13Å; A73-A77 PolarHBondContact O-N 3.03Å
74N90.3Very high83Confident96 Ų96101.6 Ų101.651%0.51352%0.516SS..Hα-helixtrans-63.1-41175.8-71.3-8.8000112.1R70 E71 N72 A77 S78R70-N74 WeakPolarHBondContact O-CB 3.33Å; R70-N74 VanDerWaalsContact O-CG 3.27Å; R70-N74 PolarHBondContact O-N 3.08Å; E71-N74 PolarHBondContact O-N 3.39Å; N72-N74 VanDerWaalsContact C-N 3.35Å; N72-N74 PolarHBondContact O-N 3.1Å; N74-A77 PolarHBondContact O-N 3.41Å; N74-S78 WeakPolarHBondContact O-CB 3.44Å; N74-S78 PolarHBondContact O-N 3.37Å
75F88.9Confident81.5Confident118 Ų118100.3 Ų100.352%0.51852%0.515SS..Hα-helixtrans-60.7-47.2175.2178.1-102.4000111.1E71 N72 A73 A77 S78 L79E71-F75 WeakPolarHBondContact O-CB 3.37Å; E71-F75 PolarHBondContact O-N 3.33Å; N72-F75 WeakPolarHBondContact O-CB 3.31Å; N72-F75 PolarHBondContact O-N 3.34Å; A73-F75 PolarHBondContact O-N 3.14Å; F75-A77 PolarHBondContact O-N 2.64Å; F75-S78 PolarHBondContact O-N 2.83Å; F75-S78 PolarHBondContact O-OG 3.34Å; F75-L79 HydrophobicContact CD1-CD1 4.05Å; F75-L79 HydrophobicContact CE1-CD1 3.58Å; F75-L79 HydrophobicContact CE1-CG 4.44Å; F75-L79 HydrophobicContact CZ-CD1 3.93Å; F75-L79 HydrophobicContact CZ-CD2 4.49Å; F75-L79 HydrophobicContact CZ-CG 4.45Å; F75-L79 WeakPolarHBondContact O-CG 3.2Å; F75-L79 PolarHBondContact O-N 3.23Å
76F81.9Confident79.7Confident129 Ų12997.9 Ų97.957%0.56652%0.516SS*.Hα-helixtrans-66.2-36.3177.2-74.8-64.9000113.2N72 A73 S78 L79N72-F76 HydrophobicContact CB-CE2 4.49Å; N72-F76 WeakPolarHBondContact O-CD2 3.44Å; N72-F76 PolarHBondContact O-N 3.41Å; A73-F76 PolarHBondContact O-N 2.86Å; F76-S78 VanDerWaalsContact C-N 3.33Å; F76-L79 HydrophobicContact CD1-CD1 4.3Å; F76-L79 PolarHBondContact O-N 3.05Å
77A84.6Confident78Confident73 Ų7398.6 Ų98.660%0.60353%0.527SS*.Hα-helixtrans-62.9-40.6172.900000111.5A73 N74 F75 L79 Q80A73-A77 WeakPolarHBondContact O-CB 3.13Å; A73-A77 PolarHBondContact O-N 3.03Å; N74-A77 PolarHBondContact O-N 3.41Å; F75-A77 PolarHBondContact O-N 2.64Å; A77-L79 PolarHBondContact O-N 3.44Å; A77-Q80 PolarHBondContact O-N 3.43Å
78S84.1Confident76.3Confident84 Ų8497.2 Ų97.259%0.58753%0.53SS*.Hα-helixtrans-66.3-22.1178.476.90000114.2N74 F75 F76 Q80N74-S78 WeakPolarHBondContact O-CB 3.44Å; N74-S78 PolarHBondContact O-N 3.37Å; F75-S78 PolarHBondContact O-N 2.83Å; F75-S78 PolarHBondContact O-OG 3.34Å; F76-S78 VanDerWaalsContact C-N 3.33Å; S78-Q80 VanDerWaalsContact C-N 3.27Å; S78-Q80 PolarHBondContact O-N 3.38Å
79L80.3Confident74.3Confident75 Ų7599.7 Ų99.739%0.39354%0.543SS..THydrogen-bonded Turntrans-80.1-5.7178.7-68.3172.2000113.2F75 F76 A77 L81F75-L79 HydrophobicContact CD1-CD1 4.05Å; F75-L79 HydrophobicContact CE1-CD1 3.58Å; F75-L79 HydrophobicContact CE1-CG 4.44Å; F75-L79 HydrophobicContact CZ-CD1 3.93Å; F75-L79 HydrophobicContact CZ-CD2 4.49Å; F75-L79 HydrophobicContact CZ-CG 4.45Å; F75-L79 WeakPolarHBondContact O-CG 3.2Å; F75-L79 PolarHBondContact O-N 3.23Å; F76-L79 HydrophobicContact CD1-CD1 4.3Å; F76-L79 PolarHBondContact O-N 3.05Å; A77-L79 PolarHBondContact O-N 3.44Å; L79-L81 HydrophobicContact CB-CD1 4.08Å; L79-L81 HydrophobicContact CB-CD2 4.48Å; L79-L81 HydrophobicContact CB-CG 3.8Å; L79-L81 HydrophobicContact CD1-CD1 4.24Å; L79-L81 PolarHBondContact O-N 3.31Å
80Q72.9Confident72.4Confident116 Ų116101 Ų10154%0.54255%0.554SS.*THydrogen-bonded Turntrans48.327.1176.9-68.2177.2-17.900114.3A77 S78 A82 E83 T84A77-Q80 PolarHBondContact O-N 3.43Å; S78-Q80 VanDerWaalsContact C-N 3.27Å; S78-Q80 PolarHBondContact O-N 3.38Å; Q80-A82 VanDerWaalsContact C-N 3.26Å; Q80-A82 PolarHBondContact O-N 3.49Å; Q80-E83 WeakPolarHBondContact CG-OE2 3.36Å; Q80-E83 PolarHBondContact O-N 3.27Å; Q80-E83 VanDerWaalsContact O-N 3.08Å; Q80-T84 PolarHBondContact O-N 3.27Å; Q80-T84 VanDerWaalsContact O-N 3.1Å
81L65.6Low70.2Confident93 Ų9396.3 Ų96.349%0.48756%0.555SS.*Hα-helixtrans-65-32.7-172.2-66.8174.6000111.9L79 T84 L85L79-L81 HydrophobicContact CB-CD1 4.08Å; L79-L81 HydrophobicContact CB-CD2 4.48Å; L79-L81 HydrophobicContact CB-CG 3.8Å; L79-L81 HydrophobicContact CD1-CD1 4.24Å; L79-L81 PolarHBondContact O-N 3.31Å; L81-T84 WeakPolarHBondContact CA-OG1 3.44Å; L81-T84 PolarHBondContact O-N 3.45Å; L81-T84 PolarHBondContact O-OG1 2.89Å; L81-L85 WeakPolarHBondContact O-CG 3.38Å; L81-L85 PolarHBondContact O-N 3.21Å; L81-L85 VanDerWaalsContact O-N 3.09Å
82A61.8Low68Low77 Ų7796.3 Ų96.364%0.63656%0.562SS**Hα-helixtrans-64.8-39.6174.800000112.3Q80 L85 V86Q80-A82 VanDerWaalsContact C-N 3.26Å; Q80-A82 PolarHBondContact O-N 3.49Å; A82-L85 PolarHBondContact O-N 2.96Å; A82-V86 WeakPolarHBondContact O-CG2 3.06Å; A82-V86 PolarHBondContact O-N 3.48Å; A82-V86 VanDerWaalsContact O-N 3.1Å
83E61.6Low65.8Low126 Ų12696.1 Ų96.159%0.58957%0.574SS**Hα-helixtrans-69.3-38.7177.5-67.9177.1159.400111.6Q80 L85 V86 S87Q80-E83 WeakPolarHBondContact CG-OE2 3.36Å; Q80-E83 PolarHBondContact O-N 3.27Å; Q80-E83 VanDerWaalsContact O-N 3.08Å; E83-L85 VanDerWaalsContact C-N 3.32Å; E83-L85 PolarHBondContact O-N 3.45Å; E83-V86 PolarHBondContact O-N 2.99Å; E83-S87 PolarHBondContact O-N 3.29Å
84T58.6Low63.5Low72 Ų7299.2 Ų99.244%0.44259%0.591SS.*Hα-helixtrans-66.5-32.3175.763.90000113Q80 L81 L88Q80-T84 PolarHBondContact O-N 3.27Å; Q80-T84 VanDerWaalsContact O-N 3.1Å; L81-T84 WeakPolarHBondContact CA-OG1 3.44Å; L81-T84 PolarHBondContact O-N 3.45Å; L81-T84 PolarHBondContact O-OG1 2.89Å; T84-L88 WeakPolarHBondContact O-CB 3.48Å; T84-L88 PolarHBondContact O-N 2.92Å
85L57.6Low60.8Low106 Ų10699.4 Ų99.456%0.55560%0.599SS**Hα-helixtrans-72.4-38174.6-77.6173000112.5L81 A82 E83 L88 L89L81-L85 WeakPolarHBondContact O-CG 3.38Å; L81-L85 PolarHBondContact O-N 3.21Å; L81-L85 VanDerWaalsContact O-N 3.09Å; A82-L85 PolarHBondContact O-N 2.96Å; E83-L85 VanDerWaalsContact C-N 3.32Å; E83-L85 PolarHBondContact O-N 3.45Å; L85-L88 PolarHBondContact O-N 3.25Å; L85-L89 WeakPolarHBondContact O-CB 3.43Å; L85-L89 PolarHBondContact O-N 3.19Å
86V57.7Low58.7Low90 Ų9099.9 Ų99.955%0.54561%0.614SS.*Hα-helixtrans-66.7-40.2174174.20000110.8A82 E83 L88 L89 V90A82-V86 WeakPolarHBondContact O-CG2 3.06Å; A82-V86 PolarHBondContact O-N 3.48Å; A82-V86 VanDerWaalsContact O-N 3.1Å; E83-V86 PolarHBondContact O-N 2.99Å; V86-L88 PolarHBondContact O-N 2.99Å; V86-L89 PolarHBondContact O-N 2.94Å; V86-V90 HydrophobicContact CG1-CG2 4.42Å; V86-V90 WeakPolarHBondContact O-CG2 3.35Å; V86-V90 PolarHBondContact O-N 3.1Å
87S55Low57.1Low88 Ų8898.5 Ų98.562%0.61562%0.62SS**Hα-helixtrans-62.8-39.9174.2-1740000112.6E83 L89 G91E83-S87 PolarHBondContact O-N 3.29Å; S87-L89 VanDerWaalsContact C-N 3.34Å; S87-G91 PolarHBondContact O-N 3.09Å
88L55.6Low55.1Low122 Ų122102.2 Ų102.264%0.63963%0.629SS**Hα-helixtrans-66.7-32.1173.3-87160.7000113.1T84 L85 V86 V92T84-L88 WeakPolarHBondContact O-CB 3.48Å; T84-L88 PolarHBondContact O-N 2.92Å; L85-L88 PolarHBondContact O-N 3.25Å; V86-L88 PolarHBondContact O-N 2.99Å; L88-V92 WeakPolarHBondContact O-CG2 3.33Å
89L50.6Low53.6Low131 Ų131104.7 Ų104.769%0.68664%0.635SS**Hα-helixtrans-76.1-37.5177.7-94.9151.8000112.8L85 V86 S87 V92L85-L89 WeakPolarHBondContact O-CB 3.43Å; L85-L89 PolarHBondContact O-N 3.19Å; V86-L89 PolarHBondContact O-N 2.94Å; S87-L89 VanDerWaalsContact C-N 3.34Å; L89-V92 PolarHBondContact O-N 3.07Å
90V50.1Low52.3Low109 Ų109106.1 Ų106.166%0.66165%0.652SS**Hα-helixtrans-71.3-30.9177.4175.90000111.7V86 V92V86-V90 HydrophobicContact CG1-CG2 4.42Å; V86-V90 WeakPolarHBondContact O-CG2 3.35Å; V86-V90 PolarHBondContact O-N 3.1Å; V90-V92 PolarHBondContact O-N 3.35Å
91G47.1Very low51.1Low61 Ų61103.3 Ų103.363%0.62965%0.649SS**THydrogen-bonded Turntrans-70.5-9.9176.300000115.9S87S87-G91 PolarHBondContact O-N 3.09Å
92V47.3Very low50.3Low108 Ų108101.8 Ų101.866%0.65565%0.649SS**THydrogen-bonded Turntrans-90.3-11.3-177.6173.70000112.7L88 L89 V90 C94L88-V92 WeakPolarHBondContact O-CG2 3.33Å; L89-V92 PolarHBondContact O-N 3.07Å; V90-V92 PolarHBondContact O-N 3.35Å; V92-C94 VanDerWaalsContact C-N 3.25Å; V92-C94 PolarHBondContact O-N 3.4Å
93A41.7Very low49.7Very low89 Ų89107.8 Ų107.874%0.73666%0.655SS**THydrogen-bonded Turntrans-76.40.9-177.100000115.3
94C40.1Very low49.1Very low120 Ų120108.1 Ų108.181%0.81166%0.66SS**THydrogen-bonded Turntrans-122.26.9-176.8-910000117.2V92V92-C94 VanDerWaalsContact C-N 3.25Å; V92-C94 PolarHBondContact O-N 3.4Å
95C34.7Very low48.7Very low100 Ų100113 Ų11368%0.67667%0.671SS**  trans-141.2111.2174.7-62.80000111.5
96P44.1Very low48.1Very low129 Ų129110.4 Ų110.484%0.83867%0.67SS**SBendtrans-77.8129.7164.331.5-26.6000107.8
97S48.2Very low47.5Very low99 Ų99113.8 Ų113.869%0.69268%0.681SS**  trans86.4103.6-174.5-174.10000114.6
98L43.6Very low47.3Very low151 Ų151116.2 Ų116.279%0.79169%0.686SS**  -179.6127.5120.5-93.1153.2000111.8S100L98-S100 PolarHBondContact O-N 3.2Å; L98-S100 VanDerWaalsContact O-N 3.12Å
99N51.9Low47.1Very low136 Ų136119.3 Ų119.373%0.72769%0.694SS**  trans-49.7103.5176.6-69.2-43.2000114A102N99-A102 HydrophobicContact CB-CB 4.32Å
100S53Low47.2Very low105 Ų105121.6 Ų121.673%0.73470%0.698SS**THydrogen-bonded Turntrans-79.7-20.7174.355.50000113.7L98 A102L98-S100 PolarHBondContact O-N 3.2Å; L98-S100 VanDerWaalsContact O-N 3.12Å; S100-A102 VanDerWaalsContact C-N 3.31Å; S100-A102 PolarHBondContact O-N 2.98Å
101A47.1Very low46.8Very low58 Ų58127.8 Ų127.848%0.47971%0.71SS.*Hα-helixtrans-75.7-14.5177.800000114.3
102A49.5Very low46.8Very low60 Ų60133.1 Ų133.150%0.49672%0.719SS.*Hα-helixtrans-85.6-29.2-17900000113.2N99 S100 R105 G106N99-A102 HydrophobicContact CB-CB 4.32Å; S100-A102 VanDerWaalsContact C-N 3.31Å; S100-A102 PolarHBondContact O-N 2.98Å; A102-R105 PolarHBondContact O-N 2.56Å; A102-G106 PolarHBondContact O-N 3.47Å
103R49.4Very low46.5Very low204 Ų204132.6 Ų132.677%0.7772%0.72SS**Hα-helixtrans-71.6-31.9-178.9-78.5-178.8174.6172.2-1.1113.2R105 G106R103-R105 VanDerWaalsContact C-N 3.33Å; R103-R105 PolarHBondContact O-N 3.19Å; R103-G106 PolarHBondContact O-N 2.82Å
104L48.6Very low46.4Very low132 Ų132133.8 Ų133.869%0.69172%0.72SS**Hα-helixtrans-68.9-31.3176.5-133.892.3000112.6
105R49.3Very low46.7Very low176 Ų176137.5 Ų137.566%0.66473%0.725SS**Hα-helixtrans-79.5-22.3178.3-72-171.2-86.5-1074.1113.4A102 R103A102-R105 PolarHBondContact O-N 2.56Å; R103-R105 VanDerWaalsContact C-N 3.33Å; R103-R105 PolarHBondContact O-N 3.19Å
106G45.2Very low47.5Very low51 Ų51137 Ų13753%0.52672%0.723SS.*Hα-helixtrans-73.5-31.2174.200000113.9A102 R103 I108 K109A102-G106 PolarHBondContact O-N 3.47Å; R103-G106 PolarHBondContact O-N 2.82Å; G106-I108 VanDerWaalsContact C-N 3.27Å; G106-I108 PolarHBondContact O-N 3.36Å; G106-K109 PolarHBondContact O-N 3.22Å
107M45.4Very low47.7Very low160 Ų160141 Ų14179%0.78873%0.727SS**THydrogen-bonded Turntrans-74.6-15179.4-70.3175.768.700113.8
108I50.1Low47.8Very low140 Ų140147.2 Ų147.272%0.71874%0.736SS**THydrogen-bonded Turntrans-88.4-18.1178.5-62.1169000111.3G106G106-I108 VanDerWaalsContact C-N 3.27Å; G106-I108 PolarHBondContact O-N 3.36Å
109K52.3Low48.3Very low187 Ų187149.9 Ų149.981%0.81374%0.741SS**SBendtrans-114.450.4179.8-69.4-170.6177.5-175.80113G106G106-K109 PolarHBondContact O-N 3.22Å
110K52.9Low48Very low178 Ų178154.7 Ų154.777%0.77475%0.749SS**  trans-169.694.4149.6-130.7176.5178.3179.20110
111R41.2Very low47.9Very low240 Ų240155.5 Ų155.591%0.90675%0.751SS**  trans-139.683.6158.4-158.4177.8-171.4-172.73.4107.7S113R111-S113 PolarHBondContact O-N 3.33Å
112E47.3Very low48.1Very low173 Ų173162.8 Ų162.881%0.80877%0.772SS**PPolyproline II helixtrans-64.1122.5158.1-73172.6176.700106.9
113S40.6Very low47.9Very low97 Ų97169.6 Ų169.668%0.67879%0.791SS**PPolyproline II helixtrans-70.6132.4176.551.50000109.9R111 E115R111-S113 PolarHBondContact O-N 3.33Å; S113-E115 PolarHBondContact O-N 3.19Å
114P39.9Very low48Very low114 Ų114168.7 Ų168.774%0.7479%0.792SS**PPolyproline II helixtrans-71.7121.3167.827.8-29.1000109.2S116P114-S116 PolarHBondContact O-N 2.93Å
115E47.4Very low48.2Very low197 Ų197170.8 Ų170.892%0.92180%0.799SS**  trans-63.693.3169-72.2-172.4149.200109.7S113S113-E115 PolarHBondContact O-N 3.19Å
116S50.9Low48.3Very low91 Ų91168.6 Ų168.664%0.63680%0.8SS**  trans-119.3108.1162.563.80000108.8P114 R118P114-S116 PolarHBondContact O-N 2.93Å; S116-R118 VanDerWaalsContact C-N 3.28Å; S116-R118 PolarHBondContact O-N 3.43Å
117K48.7Very low48.9Very low212 Ų212174.8 Ų174.892%0.92282%0.816SS**  trans-68.483.9174.9-69-179.3-179.61750109.5K119K117-K119 PolarHBondContact O-N 3.05Å
118R49.1Very low49Very low230 Ų230174.3 Ų174.387%0.86882%0.815SS**PPolyproline II helixtrans-73.6116.3163.2-90.5-177.7170.1174.6-2.1109S116 R120S116-R118 VanDerWaalsContact C-N 3.28Å; S116-R118 PolarHBondContact O-N 3.43Å; R118-R120 PolarHBondContact O-N 3.44Å
119K54.9Low49.4Very low206 Ų206170.9 Ų170.990%0.89681%0.814SS**PPolyproline II helixtrans-60.3120.7167.1-74.5-175.6177.5178.80108.5K117K117-K119 PolarHBondContact O-N 3.05Å
120R45.3Very low49.7Very low237 Ų237167.6 Ų167.689%0.89481%0.813SS**PPolyproline II helixtrans-63.5130.8173.5-69.8-177174.5-171.7-1.2109R118R118-R120 PolarHBondContact O-N 3.44Å
121P50.6Low49.9Very low122 Ų122170.8 Ų170.879%0.79282%0.82SS**PPolyproline II helixtrans-64.6136.9166.826.3-30.3000108.9K123P121-K123 PolarHBondContact O-N 3.17Å; P121-K123 VanDerWaalsContact O-N 3.07Å
122K51.8Low51.2Low211 Ų211167.8 Ų167.892%0.91781%0.809SS**  trans-60.3113.3174.5-71.7-176177.3-1770108.2K124K122-K124 PolarHBondContact O-N 3.23Å
123K44.9Very low52.7Low203 Ų203162.7 Ų162.788%0.88379%0.792SS**  trans-66.1117.3173.7-159.8178.1-176-174.10106.7P121 E125P121-K123 PolarHBondContact O-N 3.17Å; P121-K123 VanDerWaalsContact O-N 3.07Å; K123-E125 PolarHBondContact O-N 2.66Å
124K50.9Low54Low185 Ų185162.3 Ų162.380%0.80478%0.781SS**  trans-58.4124.5164-76.5-176.6176.3-177.80106.6K122 N126K122-K124 PolarHBondContact O-N 3.23Å; K124-N126 VanDerWaalsContact C-N 3.25Å; K124-N126 PolarHBondContact O-N 3.48Å
125E53.8Low55.6Low177 Ų177167.4 Ų167.483%0.82779%0.785SS**  trans-68.887.6177.1-166.9166-146.600107.7K123K123-E125 PolarHBondContact O-N 2.66Å
126N50.8Low56.8Low130 Ų130164.5 Ų164.570%0.69578%0.775SS**  trans-86.2104.1159.4-69.6-6.7000104.9K124 I128K124-N126 VanDerWaalsContact C-N 3.25Å; K124-N126 PolarHBondContact O-N 3.48Å; N126-I128 PolarHBondContact O-N 2.91Å
127E57.7Low57.8Low181 Ų181164.6 Ų164.685%0.84677%0.768SS**  trans-57.184.1168.1-70.6-177.3152.100109.5
128I48.7Very low58.9Low150 Ų150161.7 Ų161.777%0.76976%0.756SS**  trans-120.888.9162.2-52.5173.7000104N126N126-I128 PolarHBondContact O-N 2.91Å
129G58.7Low60.2Low68 Ų68152.7 Ų152.770%0.70173%0.726SS**  trans-50.2139.6178.800000110.8R131G129-R131 PolarHBondContact O-N 3.44Å; G129-R131 VanDerWaalsContact O-N 3.12Å
130C57.4Low60.9Low117 Ų117146.6 Ų146.679%0.79170%0.703SS**  trans-54.5120.5172.6-1740000108.7R132C130-R132 PolarHBondContact O-N 3.31Å
131R57.6Low61.9Low245 Ų245140.7 Ų140.793%0.92570%0.696SS**  trans-62.9102.8-179.6-172.7-179.5-177.2-127.41.7109.2G129G129-R131 PolarHBondContact O-N 3.44Å; G129-R131 VanDerWaalsContact O-N 3.12Å
132R68.7Low63.1Low178 Ų178142.5 Ų142.567%0.67270%0.698SS**  trans-80.7144.9172.4-69.3-176.5178.9174.50.1109.8C130 L137C130-R132 PolarHBondContact O-N 3.31Å; R132-L137 HydrophobicContact CB-CD1 4.2Å; R132-L137 HydrophobicContact CB-CD2 4.18Å; R132-L137 HydrophobicContact CB-CG 4.11Å
133S78Confident63.6Low66 Ų66135 Ų13546%0.46268%0.68SS.*  trans-65.8142.7175.9650000110.2R135 L136 L137S133-R135 PolarHBondContact O-N 3.28Å; S133-L136 PolarHBondContact O-N 3.5Å; S133-L136 WeakPolarHBondContact OG-CD1 2.95Å; S133-L136 WeakPolarHBondContact OG-CG 3.46Å; S133-L137 PolarHBondContact O-N 3.06Å
134M68.3Low65.1Low88 Ų88129.8 Ų129.843%0.43367%0.666SS.*THydrogen-bonded Turntrans-61.1-27.8-177.3-67.4-178.265.600113L137 K138 V139 D140M134-L137 CarbonylContact O-C 3.38Å; M134-L137 WeakPolarHBondContact O-CA 3.4Å; M134-L137 PolarHBondContact O-N 3.42Å; M134-L137 VanDerWaalsContact O-N 3.11Å; M134-K138 PolarHBondContact O-N 3.12Å; M134-V139 HydrophobicContact CE-CB 4.01Å; M134-V139 HydrophobicContact CE-CG1 3.77Å; M134-V139 PolarHBondContact O-N 3.16Å; M134-D140 WeakPolarHBondContact CE-O 3.36Å
135R73.5Confident65.9Low221 Ų221125.6 Ų125.683%0.83466%0.659SS**THydrogen-bonded Turntrans-59.2-46.5170.9-176.9-175.9-68.5142.4-2.3112.1S133 L137 K138S133-R135 PolarHBondContact O-N 3.28Å; R135-L137 PolarHBondContact O-N 2.96Å; R135-K138 PolarHBondContact O-N 3.19Å; R135-K138 VanDerWaalsContact O-N 3.1Å
136L72.6Confident66.4Low136 Ų136121.2 Ų121.271%0.71264%0.641SS**THydrogen-bonded Turntrans-68.7-22.1177.4-68.1174.4000112S133S133-L136 PolarHBondContact O-N 3.5Å; S133-L136 WeakPolarHBondContact OG-CD1 2.95Å; S133-L136 WeakPolarHBondContact OG-CG 3.46Å
137L71.1Confident67.3Low93 Ų93120.5 Ų120.549%0.48764%0.643SS.*THydrogen-bonded Turntrans-88.8-2.8174.4-61.3172.7000113.1R132 S133 M134 R135 V139R132-L137 HydrophobicContact CB-CD1 4.2Å; R132-L137 HydrophobicContact CB-CD2 4.18Å; R132-L137 HydrophobicContact CB-CG 4.11Å; S133-L137 PolarHBondContact O-N 3.06Å; M134-L137 CarbonylContact O-C 3.38Å; M134-L137 WeakPolarHBondContact O-CA 3.4Å; M134-L137 PolarHBondContact O-N 3.42Å; M134-L137 VanDerWaalsContact O-N 3.11Å; R135-L137 PolarHBondContact O-N 2.96Å; L137-V139 HydrophobicContact CB-CG2 3.88Å; L137-V139 VanDerWaalsContact O-CG2 3.32Å; L137-V139 WeakPolarHBondContact O-CG2 3.22Å; L137-V139 PolarHBondContact O-N 3.31Å
138K72.1Confident67.6Low152 Ų152116.5 Ų116.566%0.66164%0.641SS**THydrogen-bonded Turntrans53.737.4-174.8-59.5-178.8175.9-176.90113.6M134 R135 L146M134-K138 PolarHBondContact O-N 3.12Å; R135-K138 PolarHBondContact O-N 3.19Å; R135-K138 VanDerWaalsContact O-N 3.1Å; K138-L146 PolarHBondContact O-N 3.38Å
139V77Confident68.2Low40 Ų40113.7 Ų113.724%0.24264%0.635CS.*BIsolated β-bridgetrans-113.1133.1-180-169.20000109.6M134 L137 G143M134-V139 HydrophobicContact CE-CB 4.01Å; M134-V139 HydrophobicContact CE-CG1 3.77Å; M134-V139 PolarHBondContact O-N 3.16Å; L137-V139 HydrophobicContact CB-CG2 3.88Å; L137-V139 VanDerWaalsContact O-CG2 3.32Å; L137-V139 WeakPolarHBondContact O-CG2 3.22Å; L137-V139 PolarHBondContact O-N 3.31Å; V139-G143 WeakPolarHBondContact CG1-O 3.43Å
140D68.7Low68.1Low78 Ų78116 Ų11642%0.41764%0.638SS.*  trans-72.6161.9174.5-109.4-3.4000111.8M134 L142 G143 V144 L146M134-D140 WeakPolarHBondContact CE-O 3.36Å; D140-L142 PolarHBondContact O-N 2.72Å; D140-G143 PolarHBondContact O-N 3.3Å; D140-V144 PolarHBondContact N-O 2.89Å; D140-V144 VanDerWaalsContact N-O 3.17Å; D140-L146 HydrophobicContact CB-CD2 4.27Å; D140-L146 VanDerWaalsContact CG-CD2 3.49Å; D140-L146 WeakPolarHBondContact OD2-CD2 3.28Å
141P67.9Low67.8Low114 Ų114116.7 Ų116.774%0.7464%0.639SS**THydrogen-bonded Turntrans-57.9-13.7-176.722.9-33.4000114.7
142L74.2Confident67.7Low159 Ų159112.5 Ų112.583%0.83263%0.63SS**THydrogen-bonded Turntrans-95.27.5174.6-61179.1000114.3D140 V144D140-L142 PolarHBondContact O-N 2.72Å; L142-V144 VanDerWaalsContact C-N 3.29Å; L142-V144 PolarHBondContact O-N 3.39Å
143G63.8Low66.6Low54 Ų54109.6 Ų109.656%0.55763%0.634SS**SBendtrans81.23.7175.700000115V139 D140V139-G143 WeakPolarHBondContact CG1-O 3.43Å; D140-G143 PolarHBondContact O-N 3.3Å
144V74.8Confident64.9Low94 Ų94112.1 Ų112.157%0.5765%0.646SS**PPolyproline II helixtrans-86.2133.8-179.6-173.90000109.8D140 L142 L146D140-V144 PolarHBondContact N-O 2.89Å; D140-V144 VanDerWaalsContact N-O 3.17Å; L142-V144 VanDerWaalsContact C-N 3.29Å; L142-V144 PolarHBondContact O-N 3.39Å; V144-L146 PolarHBondContact O-N 3.48Å
145S69.3Low63.7Low96 Ų96115 Ų11567%0.67166%0.663SS**BIsolated β-bridgetrans-63.4123.2173.3510000109.8
146L63.3Low62.2Low85 Ų85110.3 Ų110.345%0.44566%0.659SS.*PPolyproline II helixtrans-64.2141.2175.7-73.1170.7000110.2K138 D140 V144K138-L146 PolarHBondContact O-N 3.38Å; D140-L146 HydrophobicContact CB-CD2 4.27Å; D140-L146 VanDerWaalsContact CG-CD2 3.49Å; D140-L146 WeakPolarHBondContact OD2-CD2 3.28Å; V144-L146 PolarHBondContact O-N 3.48Å
147P69.7Low61Low115 Ų115112 Ų11275%0.74766%0.663SS**PPolyproline II helixtrans-56.4145.3170.323.7-31.3000109.3S149P147-S149 PolarHBondContact O-N 2.89Å; P147-S149 VanDerWaalsContact O-N 3.08Å
148A64.8Low59.7Low97 Ų97116.3 Ų116.380%0.80268%0.681SS**PPolyproline II helixtrans-51.8123.3174.500000108.1
149S61.6Low58.7Low91 Ų91117.2 Ų117.264%0.63669%0.687SS**PPolyproline II helixtrans-48.8130.9172.349.30000107.4P147 T151P147-S149 PolarHBondContact O-N 2.89Å; P147-S149 VanDerWaalsContact O-N 3.08Å; S149-T151 PolarHBondContact O-N 3.28Å; S149-T151 VanDerWaalsContact O-N 3.13Å
150P56.4Low57.6Low118 Ų118122.2 Ų122.277%0.76671%0.708SS**PPolyproline II helixtrans-49.4130.9173.222-31.5000106.5Q152P150-Q152 PolarHBondContact O-N 2.9Å
151T51Low57.1Low131 Ų131123 Ų12380%0.80471%0.712SS**  trans-35.3112.2175-53.30000106.3S149 P153S149-T151 PolarHBondContact O-N 3.28Å; S149-T151 VanDerWaalsContact O-N 3.13Å; T151-P153 VanDerWaalsContact O-N 3.09Å
152Q54.9Low57.2Low157 Ų157122.8 Ų122.873%0.73471%0.71SS**  trans-46.3129.5171.6-78-176.9-37.300104.4P150 T154P150-Q152 PolarHBondContact O-N 2.9Å; Q152-T154 PolarHBondContact O-N 3.38Å
153P45.5Very low57Low116 Ų116120.5 Ų120.575%0.75370%0.698SS**  trans-47.5120.9168.821.1-29.8000104T151 L155T151-P153 VanDerWaalsContact O-N 3.09Å; P153-L155 PolarHBondContact O-N 2.62Å
154T42.3Very low57.7Low119 Ų119120 Ų12073%0.7368%0.683SS**  trans-33.5117.3170.4-57.50000104.1Q152 V156Q152-T154 PolarHBondContact O-N 3.38Å; T154-V156 PolarHBondContact O-N 2.99Å
155L43.9Very low57.7Low149 Ų149119.4 Ų119.478%0.7868%0.681SS**  trans-49.1104.1169.7-72.6171.5000102.4P153 E157P153-L155 PolarHBondContact O-N 2.62Å; L155-E157 PolarHBondContact O-N 3.38Å
156V40.7Very low57.9Low123 Ų123120 Ų12075%0.74568%0.682SS**  trans-52.1111.2162.9175.5000099.2T154 E158T154-V156 PolarHBondContact O-N 2.99Å; V156-E158 PolarHBondContact O-N 2.87Å
157E48.7Very low58.5Low171 Ų171117 Ų11780%0.79967%0.673SS**  trans-42.2101.8173.4-68170.7160.800103.5L155 E159L155-E157 PolarHBondContact O-N 3.38Å; E157-E159 VanDerWaalsContact C-N 3.26Å; E157-E159 PolarHBondContact O-N 2.67Å
158E44.3Very low59.2Low184 Ų184116.4 Ų116.486%0.8667%0.669SS**  trans-58.6108.9176.9-78.6-175163.600101.3V156 E160V156-E158 PolarHBondContact O-N 2.87Å; E158-E160 PolarHBondContact O-N 3.35Å
159E49.8Very low60.3Low170 Ų170113.6 Ų113.679%0.79464%0.64SS**  trans-17.9103.1-171.6-72.3174136.400109.3E157 N161E157-E159 VanDerWaalsContact C-N 3.26Å; E157-E159 PolarHBondContact O-N 2.67Å; E159-N161 PolarHBondContact O-N 3.13Å
160E54Low61.4Low146 Ų146115.7 Ų115.768%0.68264%0.64SS**  trans-57.4100.9169.3-81.7-154.5126.100104.7E158 P162 R277E158-E160 PolarHBondContact O-N 3.35Å; E160-P162 VanDerWaalsContact O-CD 3.23Å; E160-P162 WeakPolarHBondContact O-CD 3.49Å; E160-R277 IonicContact OE1-NH2 3.61Å; E160-R277 PolarHBondContact OE1-NH2 3.38Å; E160-R277 VanDerWaalsContact OE1-NH2 3.11Å
161N59.3Low62.9Low93 Ų93110.4 Ų110.450%0.49761%0.605SS.*  trans-50.3113.4174.5-75.6-39.5000104.9E159 L163E159-N161 PolarHBondContact O-N 3.13Å; N161-L163 PolarHBondContact O-N 3.07Å
162P68.5Low64.5Low110 Ų110109.4 Ų109.471%0.71459%0.594SS**PPolyproline II helixtrans-55.6136.1-171.718.6-29.9000107.8E160 L164E160-P162 VanDerWaalsContact O-CD 3.23Å; E160-P162 WeakPolarHBondContact O-CD 3.49Å; P162-L164 PolarHBondContact O-N 2.79Å
163L71.4Confident65.9Low111 Ų111102.9 Ų102.958%0.58157%0.565SS**PPolyproline II helixtrans-52.9135.6176-65.7175.1000108.2N161 D298N161-L163 PolarHBondContact O-N 3.07Å; L163-D298 HydrophobicContact CD2-CB 3.74Å
164L77.9Confident67.7Low44 Ų44100.5 Ų100.523%0.2354%0.544CS..PPolyproline II helixtrans-58.4147.5172.1-69.9173.5000108.9P162 L169 A274P162-L164 PolarHBondContact O-N 2.79Å; L164-L169 HydrophobicContact CD1-CD2 3.94Å; L164-A274 WeakPolarHBondContact CD1-O 3.48Å
165P75.1Confident69.4Low81 Ų8197.8 Ų97.853%0.52653%0.525SS..PPolyproline II helixtrans-54.1135.7-174.722.2-33.7000110.4G167P165-G167 PolarHBondContact O-N 2.84Å
166P73.1Confident70.6Confident108 Ų10892.2 Ų92.270%0.70149%0.494SS*.SBendtrans-64.8127174.426.4-32.3000108.8E313P166-E313 WeakPolarHBondContact CA-OE2 3.43Å
167G76.5Confident71.5Confident24 Ų2493.8 Ų93.825%0.24750%0.499CS..SBendtrans131.5-175-179.900000114.6P165 L169P165-G167 PolarHBondContact O-N 2.84Å; G167-L169 PolarHBondContact O-N 3.48Å
168P84.7Confident72Confident102 Ų10293.7 Ų93.766%0.66250%0.504SS*.  trans-67.2121.3-177.4-12.326.2000110.4V310P168-V310 HydrophobicContact CB-CG1 3.41Å; P168-V310 VanDerWaalsContact CB-CG1 3.41Å
169L86.7Confident72.9Confident37 Ų3785.7 Ų85.719%0.19447%0.468CS..EExtended strand (participates in β ladder)trans-107.2122.7179.9-17670.7000109.8L164 G167 Y273 V310 F311L164-L169 HydrophobicContact CD1-CD2 3.94Å; G167-L169 PolarHBondContact O-N 3.48Å; L169-Y273 WeakPolarHBondContact CD2-O 3.24Å; L169-V310 CarbonylContact O-C 3.52Å; L169-V310 WeakPolarHBondContact O-CA 3.46Å; L169-F311 HydrophobicContact CB-CB 4.26Å; L169-F311 PolarHBondContact N-O 2.63Å; L169-F311 PolarHBondContact O-N 2.81Å
170E85.1Confident74Confident135 Ų13580.7 Ų80.763%0.63145%0.452SS*.EExtended strand (participates in β ladder)trans-64.1143.4-179.9-64.6-174.2177.700112I172E170-I172 HydrophobicContact CB-CD1 4.15Å; E170-I172 HydrophobicContact CB-CG1 3.9Å; E170-I172 PolarHBondContact O-N 3.27Å
171M86.9Confident75.3Confident8 Ų879.9 Ų79.94%0.03945%0.448CS..  trans-75.276.9174.3-65.3-174.590.700110.3L187 L258 F272 F306 A309 F311M171-L187 HydrophobicContact CB-CD1 4.48Å; M171-L187 HydrophobicContact CE-CD2 4.27Å; M171-L187 HydrophobicContact SD-CD1 4.33Å; M171-L187 HydrophobicContact SD-CD2 4.12Å; M171-L258 HydrophobicContact CE-CD1 4.15Å; M171-F272 HydrophobicContact CB-CD1 3.88Å; M171-F272 HydrophobicContact CB-CE1 3.73Å; M171-F272 HydrophobicContact CB-CZ 4.38Å; M171-F272 HydrophobicContact CE-CD2 4.19Å; M171-F272 HydrophobicContact CE-CE2 4.09Å; M171-F272 HydrophobicContact CE-CZ 4.31Å; M171-F272 WeakPolarHBondContact O-CE1 3.44Å; M171-F306 HydrophobicContact CE-CD1 3.77Å; M171-F306 HydrophobicContact CE-CE1 3.76Å; M171-F306 HydrophobicContact SD-CD1 4.11Å; M171-A309 HydrophobicContact CB-CB 4.41Å; M171-A309 WeakPolarHBondContact CB-O 3.32Å; M171-A309 VanDerWaalsContact CG-O 3.31Å; M171-A309 WeakPolarHBondContact CG-O 3.5Å; M171-A309 PolarHBondContact N-O 3.34Å; M171-F311 HydrophobicContact CB-CE2 4.25Å; M171-F311 HydrophobicContact CE-CE1 4Å; M171-F311 HydrophobicContact CE-CE2 3.9Å; M171-F311 HydrophobicContact CE-CZ 3.45Å; M171-F311 VanDerWaalsContact CE-CZ 3.45Å; M171-F311 HydrophobicContact CG-CD2 3.75Å; M171-F311 HydrophobicContact CG-CE2 3.52Å; M171-F311 HydrophobicContact CG-CG 4.46Å; M171-F311 HydrophobicContact CG-CZ 4.05Å; M171-F311 HydrophobicContact SD-CE2 4.5Å; M171-F311 HydrophobicContact SD-CZ 4.47Å
172I84.9Confident76.4Confident110 Ų11079.7 Ų79.756%0.56445%0.447SS*.  trans-92.9121.9178.8-57.3171.6000109.6E170 F272E170-I172 HydrophobicContact CB-CD1 4.15Å; E170-I172 HydrophobicContact CB-CG1 3.9Å; E170-I172 PolarHBondContact O-N 3.27Å; I172-F272 WeakPolarHBondContact O-CD1 3.22Å
173P85Confident77.1Confident20 Ų2075 Ų7513%0.1342%0.416CS..BIsolated β-bridgetrans-76.6131.1-179.233.8-34.9000110.2N175 L183 Y270 V271 F272P173-N175 VanDerWaalsContact C-N 3.34Å; P173-L183 HydrophobicContact CB-CD1 3.77Å; P173-L183 HydrophobicContact CG-CD1 3.48Å; P173-L183 VanDerWaalsContact CG-CD1 3.48Å; P173-Y270 HydrophobicContact CB-CD1 4.12Å; P173-V271 CarbonylContact C-O 3.58Å; P173-V271 WeakPolarHBondContact CA-O 3.48Å; P173-F272 HydrophobicContact CB-CE1 4.3Å
174E82.6Confident77.7Confident66 Ų6675 Ų7531%0.30841%0.411SS..SBendtrans-79.8-19.9176-166.5-167.2157.800112.5K230 Q255 V271 Y273E174-K230 IonicContact OE1-NZ 3.63Å; E174-K230 PolarHBondContact OE1-NZ 3.43Å; E174-Q255 PolarHBondContact OE2-NE2 2.78Å; E174-V271 PolarHBondContact N-O 3.21Å; E174-Y273 WeakPolarHBondContact OE2-CD2 3.37Å; E174-Y273 WeakPolarHBondContact OE2-CE2 3.43Å
175N79.4Confident78.1Confident62 Ų6275.5 Ų75.533%0.33242%0.421SS..SBendtrans-95-7.2-171.665-34.1000114.1P173 M269 V271P173-N175 VanDerWaalsContact C-N 3.34Å; N175-M269 PolarHBondContact ND2-O 3.3Å; N175-V271 PolarHBondContact OD1-N 3.39Å
176Q68.9Low78.6Confident31 Ų3172.3 Ų72.315%0.14540%0.401CS..  trans-146.2106.8-177.4-59.6-173.3-6.700111.2S179 D267Q176-S179 WeakPolarHBondContact CB-OG 3.38Å; Q176-S179 PolarHBondContact OE1-OG 3.46Å; Q176-D267 PolarHBondContact NE2-OD1 2.87Å
177D59.6Low79.3Confident157 Ų15767.3 Ų67.384%0.8437%0.368SS*.SBendtrans-78.6-21.6-176.5-66.2-41.1000113.6
178D58.2Low79.8Confident169 Ų16972.4 Ų72.490%0.90438%0.384SS*.SBendtrans-115.63.8-169.7-69.1-42000115.1
179S63.5Low80Confident16 Ų1669 Ų6911%0.11236%0.36CS..  trans-111.629.8-164.272.30000115.7Q176 E181 L182 L183Q176-S179 WeakPolarHBondContact CB-OG 3.38Å; Q176-S179 PolarHBondContact OE1-OG 3.46Å; S179-E181 PolarHBondContact O-N 2.89Å; S179-L182 PolarHBondContact O-N 3.24Å; S179-L183 PolarHBondContact O-N 3.43Å
180S73.1Confident80Confident64 Ų6467.5 Ų67.545%0.44835%0.352SS..Hα-helixtrans-45.9-41.1178.3143.90000113.2L183 K184S180-L183 PolarHBondContact O-N 3.21Å; S180-K184 WeakPolarHBondContact O-CB 3.34Å; S180-K184 VanDerWaalsContact O-CG 3.24Å; S180-K184 WeakPolarHBondContact O-CG 3.47Å; S180-K184 PolarHBondContact O-N 2.97Å; S180-K184 VanDerWaalsContact OG-CE 3.28Å; S180-K184 WeakPolarHBondContact OG-CE 3.41Å; S180-K184 PolarHBondContact OG-NZ 2.94Å
181E80.6Confident80Confident129 Ų12961.7 Ų61.760%0.60333%0.327SS*.Hα-helixtrans-71.2-36.6-179.3-66.1-55.8128.500113.4S179 K184 A185S179-E181 PolarHBondContact O-N 2.89Å; E181-K184 PolarHBondContact O-N 2.88Å; E181-K184 IonicContact OE1-NZ 3.67Å; E181-K184 PolarHBondContact OE1-NZ 3.23Å; E181-A185 WeakPolarHBondContact O-CB 3.27Å; E181-A185 PolarHBondContact O-N 2.98Å
182L82.4Confident80Confident89 Ų8965.4 Ų65.447%0.46635%0.345SS..Hα-helixtrans-68.7-39.5174.8-65.8178.5000110.8S179 A185 S186 Y270S179-L182 PolarHBondContact O-N 3.24Å; L182-A185 PolarHBondContact O-N 3.13Å; L182-S186 WeakPolarHBondContact O-CB 3.2Å; L182-S186 PolarHBondContact O-N 3.47Å; L182-Y270 PolarHBondContact O-OH 2.81Å
183L83.3Confident79.9Confident13 Ų1361.2 Ų61.27%0.06832%0.323CS..Hα-helixtrans-64.4-44.5174175.7141.3000112P173 S179 S180 A185 S186 L187 Y270 F272P173-L183 HydrophobicContact CB-CD1 3.77Å; P173-L183 HydrophobicContact CG-CD1 3.48Å; P173-L183 VanDerWaalsContact CG-CD1 3.48Å; S179-L183 PolarHBondContact O-N 3.43Å; S180-L183 PolarHBondContact O-N 3.21Å; L183-A185 VanDerWaalsContact C-N 3.28Å; L183-A185 PolarHBondContact O-N 2.93Å; L183-S186 WeakPolarHBondContact CA-OG 3.05Å; L183-S186 PolarHBondContact O-N 2.6Å; L183-S186 PolarHBondContact O-OG 2.92Å; L183-L187 HydrophobicContact CD2-CD1 3.51Å; L183-L187 HydrophobicContact CD2-CG 4.21Å; L183-L187 HydrophobicContact CG-CD1 4.07Å; L183-L187 HydrophobicContact CG-CG 4.28Å; L183-L187 WeakPolarHBondContact O-CB 3.46Å; L183-L187 VanDerWaalsContact O-CG 3.31Å; L183-L187 WeakPolarHBondContact O-CG 3.49Å; L183-L187 PolarHBondContact O-N 3.24Å; L183-Y270 HydrophobicContact CB-CD1 4.32Å; L183-Y270 HydrophobicContact CB-CE1 3.87Å; L183-Y270 HydrophobicContact CD1-CD1 3.84Å; L183-Y270 HydrophobicContact CD1-CE1 4.24Å; L183-Y270 HydrophobicContact CD1-CG 4.36Å; L183-Y270 HydrophobicContact CG-CD1 4.43Å; L183-Y270 HydrophobicContact CG-CE1 4.43Å; L183-F272 HydrophobicContact CD1-CE1 3.77Å; L183-F272 HydrophobicContact CD1-CZ 3.9Å
184K84.6Confident79.4Confident111 Ų11160.8 Ų60.848%0.48332%0.32SS..Hα-helixtrans-61.1-41.3174.9-73.5171.8-166.4167.90111.2S180 E181 K188S180-K184 WeakPolarHBondContact O-CB 3.34Å; S180-K184 VanDerWaalsContact O-CG 3.24Å; S180-K184 WeakPolarHBondContact O-CG 3.47Å; S180-K184 PolarHBondContact O-N 2.97Å; S180-K184 VanDerWaalsContact OG-CE 3.28Å; S180-K184 WeakPolarHBondContact OG-CE 3.41Å; S180-K184 PolarHBondContact OG-NZ 2.94Å; E181-K184 PolarHBondContact O-N 2.88Å; E181-K184 IonicContact OE1-NZ 3.67Å; E181-K184 PolarHBondContact OE1-NZ 3.23Å; K184-K188 WeakPolarHBondContact O-CB 3.45Å; K184-K188 PolarHBondContact O-N 3.3Å
185A86.1Confident78.9Confident53 Ų5365 Ų6544%0.43834%0.34SS..Hα-helixtrans-63.6-41.9175.500000111.6E181 L182 L183 K188 T189E181-A185 WeakPolarHBondContact O-CB 3.27Å; E181-A185 PolarHBondContact O-N 2.98Å; L182-A185 PolarHBondContact O-N 3.13Å; L183-A185 VanDerWaalsContact C-N 3.28Å; L183-A185 PolarHBondContact O-N 2.93Å; A185-K188 PolarHBondContact O-N 3.14Å; A185-T189 WeakPolarHBondContact O-CG2 3.36Å; A185-T189 PolarHBondContact O-N 2.95Å
186S86.1Confident78Confident14 Ų1466 Ų6610%0.09835%0.349CS..Hα-helixtrans-66.5-50.2177.475.20000110.8L182 L183 K188 T189 W190 Y270L182-S186 WeakPolarHBondContact O-CB 3.2Å; L182-S186 PolarHBondContact O-N 3.47Å; L183-S186 WeakPolarHBondContact CA-OG 3.05Å; L183-S186 PolarHBondContact O-N 2.6Å; L183-S186 PolarHBondContact O-OG 2.92Å; S186-K188 PolarHBondContact O-N 3.5Å; S186-T189 WeakPolarHBondContact O-CA 3.48Å; S186-T189 WeakPolarHBondContact O-CB 3.36Å; S186-T189 PolarHBondContact O-N 3.42Å; S186-T189 PolarHBondContact O-OG1 2.93Å; S186-W190 PolarHBondContact O-N 3.31Å; S186-Y270 VanDerWaalsContact CB-CE2 3.48Å; S186-Y270 WeakPolarHBondContact OG-CE2 3.48Å
187L87.5Confident77.4Confident4 Ų467.9 Ų67.92%0.02137%0.365CS..Hα-helixtrans-57.9-37.6175.8-68.9-178.2000112.4M171 L183 W190 A191 L258 F306 A309M171-L187 HydrophobicContact CB-CD1 4.48Å; M171-L187 HydrophobicContact CE-CD2 4.27Å; M171-L187 HydrophobicContact SD-CD1 4.33Å; M171-L187 HydrophobicContact SD-CD2 4.12Å; L183-L187 HydrophobicContact CD2-CD1 3.51Å; L183-L187 HydrophobicContact CD2-CG 4.21Å; L183-L187 HydrophobicContact CG-CD1 4.07Å; L183-L187 HydrophobicContact CG-CG 4.28Å; L183-L187 WeakPolarHBondContact O-CB 3.46Å; L183-L187 VanDerWaalsContact O-CG 3.31Å; L183-L187 WeakPolarHBondContact O-CG 3.49Å; L183-L187 PolarHBondContact O-N 3.24Å; L187-W190 WeakPolarHBondContact O-CB 3.4Å; L187-W190 PolarHBondContact O-N 3.26Å; L187-A191 PolarHBondContact O-N 2.9Å; L187-L258 HydrophobicContact CD2-CD1 4.28Å; L187-F306 HydrophobicContact CD2-CB 4.3Å; L187-F306 HydrophobicContact CD2-CD1 3.8Å; L187-F306 HydrophobicContact CD2-CG 4.47Å; L187-A309 HydrophobicContact CD1-CB 3.41Å; L187-A309 VanDerWaalsContact CD1-CB 3.41Å
188K87.2Confident77.1Confident131 Ų13167.3 Ų67.357%0.5736%0.362SS*.Hα-helixtrans-62.2-42.8171.7-173.4178.2-179.1-172.60112.1K184 A185 S186 W190 A191 E192K184-K188 WeakPolarHBondContact O-CB 3.45Å; K184-K188 PolarHBondContact O-N 3.3Å; A185-K188 PolarHBondContact O-N 3.14Å; S186-K188 PolarHBondContact O-N 3.5Å; K188-W190 VanDerWaalsContact C-N 3.32Å; K188-W190 PolarHBondContact O-N 3.42Å; K188-A191 PolarHBondContact O-N 3.11Å; K188-E192 WeakPolarHBondContact CE-OE1 3.4Å; K188-E192 HydrophobicContact CG-CG 4.39Å; K188-E192 WeakPolarHBondContact O-CB 3.33Å; K188-E192 VanDerWaalsContact O-CG 3.31Å; K188-E192 WeakPolarHBondContact O-CG 3.31Å; K188-E192 PolarHBondContact O-N 2.92Å
189T87.4Confident76.9Confident29 Ų2967.4 Ų67.418%0.17836%0.357CS..Hα-helixtrans-62.8-39.617458.90000111.4A185 S186 A191 E192 M193A185-T189 WeakPolarHBondContact O-CG2 3.36Å; A185-T189 PolarHBondContact O-N 2.95Å; S186-T189 WeakPolarHBondContact O-CA 3.48Å; S186-T189 WeakPolarHBondContact O-CB 3.36Å; S186-T189 PolarHBondContact O-N 3.42Å; S186-T189 PolarHBondContact O-OG1 2.93Å; T189-A191 PolarHBondContact O-N 3.21Å; T189-E192 PolarHBondContact O-N 2.78Å; T189-M193 WeakPolarHBondContact O-CB 3.35Å; T189-M193 WeakPolarHBondContact O-CG 3.47Å; T189-M193 PolarHBondContact O-N 3.39Å
190W87.1Confident76.5Confident6 Ų676 Ų762%0.02339%0.392CS..Hα-helixtrans-61.1-44.1174.4-76.356.5000111.9S186 L187 K188 M193 S194 L246 L258 F284 F306S186-W190 PolarHBondContact O-N 3.31Å; L187-W190 WeakPolarHBondContact O-CB 3.4Å; L187-W190 PolarHBondContact O-N 3.26Å; K188-W190 VanDerWaalsContact C-N 3.32Å; K188-W190 PolarHBondContact O-N 3.42Å; W190-M193 PolarHBondContact O-N 2.87Å; W190-S194 PolarHBondContact O-N 3.39Å; W190-L246 HydrophobicContact CD2-CB 4.44Å; W190-L246 HydrophobicContact CD2-CD1 3.77Å; W190-L246 HydrophobicContact CE3-CB 4.46Å; W190-L246 HydrophobicContact CE3-CD1 4.18Å; W190-L246 HydrophobicContact CG-CD1 3.92Å; W190-L246 HydrophobicContact CH2-CB 3.74Å; W190-L246 HydrophobicContact CZ2-CB 3.7Å; W190-L246 HydrophobicContact CZ2-CD1 4.41Å; W190-L246 HydrophobicContact CZ2-CD2 4.1Å; W190-L246 HydrophobicContact CZ2-CG 4.28Å; W190-L246 HydrophobicContact CZ3-CB 4.13Å; W190-L258 HydrophobicContact CD2-CD1 4.5Å; W190-L258 HydrophobicContact CE3-CD1 4.46Å; W190-L258 HydrophobicContact CH2-CB 3.91Å; W190-L258 HydrophobicContact CH2-CD1 4.32Å; W190-L258 HydrophobicContact CH2-CD2 3.65Å; W190-L258 HydrophobicContact CH2-CG 4.14Å; W190-L258 HydrophobicContact CZ2-CB 3.75Å; W190-L258 HydrophobicContact CZ2-CD1 4.34Å; W190-L258 HydrophobicContact CZ2-CD2 4.34Å; W190-L258 HydrophobicContact CZ2-CG 4.35Å; W190-L258 HydrophobicContact CZ3-CD1 4.36Å; W190-L258 HydrophobicContact CZ3-CD2 3.81Å; W190-F284 HydrophobicContact CE3-CE1 4.37Å; W190-F284 HydrophobicContact CH2-CZ 4.47Å; W190-F284 AromaticContact CZ3-CE1 3.85Å; W190-F284 HydrophobicContact CZ3-CE1 3.85Å; W190-F284 AromaticContact CZ3-CZ 3.72Å; W190-F284 HydrophobicContact CZ3-CZ 3.72Å; W190-F306 HydrophobicContact CB-CB 4.1Å; W190-F306 HydrophobicContact CB-CD2 4.24Å; W190-F306 HydrophobicContact CB-CG 4.1Å; W190-F306 HydrophobicContact CE3-CD1 4.3Å; W190-F306 AromaticContact CE3-CD2 4Å; W190-F306 HydrophobicContact CE3-CD2 4Å; W190-F306 AromaticContact CE3-CE1 3.93Å; W190-F306 HydrophobicContact CE3-CE1 3.93Å; W190-F306 AromaticContact CE3-CE2 3.67Å; W190-F306 HydrophobicContact CE3-CE2 3.67Å; W190-F306 HydrophobicContact CE3-CG 4.33Å; W190-F306 AromaticContact CE3-CZ 3.59Å; W190-F306 HydrophobicContact CE3-CZ 3.59Å; W190-F306 HydrophobicContact CZ3-CE1 4.25Å; W190-F306 HydrophobicContact CZ3-CE2 4.15Å; W190-F306 AromaticContact CZ3-CZ 3.76Å; W190-F306 HydrophobicContact CZ3-CZ 3.76Å
191A86.6Confident75.4Confident13 Ų1377.6 Ų77.611%0.10740%0.4CS..Hα-helixtrans-65.3-42.5175.800000112.5L187 K188 T189 M193 S194L187-A191 PolarHBondContact O-N 2.9Å; K188-A191 PolarHBondContact O-N 3.11Å; T189-A191 PolarHBondContact O-N 3.21Å; A191-M193 VanDerWaalsContact C-N 3.35Å; A191-M193 PolarHBondContact O-N 2.84Å; A191-S194 WeakPolarHBondContact O-CB 3.03Å; A191-S194 PolarHBondContact O-N 2.73Å; A191-S194 PolarHBondContact O-OG 2.93Å
192E86.8Confident74.2Confident86 Ų8681.3 Ų81.340%0.40241%0.414SS..Hα-helixtrans-63.7-40176.4-74.4172.5-179.300111.9K188 T189 S194 Q195 T196K188-E192 WeakPolarHBondContact CE-OE1 3.4Å; K188-E192 HydrophobicContact CG-CG 4.39Å; K188-E192 WeakPolarHBondContact O-CB 3.33Å; K188-E192 VanDerWaalsContact O-CG 3.31Å; K188-E192 WeakPolarHBondContact O-CG 3.31Å; K188-E192 PolarHBondContact O-N 2.92Å; T189-E192 PolarHBondContact O-N 2.78Å; E192-S194 PolarHBondContact O-N 2.84Å; E192-Q195 PolarHBondContact O-N 3.28Å; E192-T196 PolarHBondContact O-N 2.76Å
193M81.8Confident73.1Confident22 Ų2284.4 Ų84.411%0.10842%0.424CS..Hα-helixtrans-65.5-18.7177.8-67.9-64.3161.300112.9T189 W190 A191 T196 V243 R244 L246T189-M193 WeakPolarHBondContact O-CB 3.35Å; T189-M193 WeakPolarHBondContact O-CG 3.47Å; T189-M193 PolarHBondContact O-N 3.39Å; W190-M193 PolarHBondContact O-N 2.87Å; A191-M193 VanDerWaalsContact C-N 3.35Å; A191-M193 PolarHBondContact O-N 2.84Å; M193-T196 PolarHBondContact O-OG1 3.5Å; M193-V243 HydrophobicContact CE-CG1 4.26Å; M193-V243 HydrophobicContact SD-CB 3.9Å; M193-V243 HydrophobicContact SD-CG1 4.14Å; M193-R244 HydrophobicContact CE-CG 3.84Å; M193-R244 HydrophobicContact SD-CB 4.48Å; M193-R244 HydrophobicContact SD-CG 4.19Å; M193-L246 HydrophobicContact CB-CD1 4.32Å; M193-L246 HydrophobicContact CG-CD1 4.38Å
194S75.6Confident72Confident11 Ų1187 Ų878%0.07745%0.453CS..Hα-helixtrans-74.8-27.9173.379.20000113.2W190 A191 E192 S197 A290W190-S194 PolarHBondContact O-N 3.39Å; A191-S194 WeakPolarHBondContact O-CB 3.03Å; A191-S194 PolarHBondContact O-N 2.73Å; A191-S194 PolarHBondContact O-OG 2.93Å; E192-S194 PolarHBondContact O-N 2.84Å; S194-S197 PolarHBondContact O-OG 2.83Å; S194-A290 VanDerWaalsContact CB-N 3.27Å
195Q70.8Confident71.1Confident154 Ų15490 Ų9072%0.7247%0.474SS*.Hα-helixtrans-88.1-23.6-173.7-61.2-178.37.300113.2E192 S197E192-Q195 PolarHBondContact O-N 3.28Å; Q195-S197 PolarHBondContact O-N 2.76Å
196T61.4Low70.4Confident84 Ų8491.4 Ų91.452%0.51548%0.48SS..G310 helixtrans-79.53.4-172.153.60000114.8E192 M193 N198E192-T196 PolarHBondContact O-N 2.76Å; M193-T196 PolarHBondContact O-OG1 3.5Å; T196-N198 PolarHBondContact O-N 3.34Å
197S56.1Low70.4Confident71 Ų7194.1 Ų94.150%0.49750%0.499SS..G310 helixtrans-87.43.8-167.861.50000116.5S194 Q195S194-S197 PolarHBondContact O-OG 2.83Å; Q195-S197 PolarHBondContact O-N 2.76Å
198N53.6Low70.5Confident145 Ų145100.4 Ų100.478%0.77553%0.532SS*.G310 helixtrans-97.3-9.7-175.4-93.1-39.1000116.4T196 K200T196-N198 PolarHBondContact O-N 3.34Å; N198-K200 PolarHBondContact O-N 2.83Å; N198-K200 VanDerWaalsContact O-N 3.07Å
199E53.8Low70.7Confident171 Ų171102.3 Ų102.380%0.79954%0.54SS*.  trans-82.791.4169.5-69.7-140.9154.300109.4T201E199-T201 PolarHBondContact O-N 3.26Å; E199-T201 PolarHBondContact O-OG1 2.73Å
200K54.7Low70.7Confident195 Ų195102.9 Ų102.985%0.84855%0.545SS*.  trans-60.574.1164.8-66.8-179.8-177.5175.70109.4N198 K202N198-K200 PolarHBondContact O-N 2.83Å; N198-K200 VanDerWaalsContact O-N 3.07Å; K200-K202 PolarHBondContact O-N 2.89Å
201T49.8Very low70.9Confident98 Ų98108.5 Ų108.560%0.60157%0.567SS**  trans-61.3115.9157.610.20000104.3E199 K203E199-T201 PolarHBondContact O-N 3.26Å; E199-T201 PolarHBondContact O-OG1 2.73Å; T201-K203 PolarHBondContact O-N 2.87Å
202K54.7Low71.2Confident208 Ų208115.3 Ų115.390%0.90459%0.594SS**  trans-64.270.3171.2-68.6177.3179.4174.50107.8K200 G204K200-K202 PolarHBondContact O-N 2.89Å; K202-G204 VanDerWaalsContact C-N 3.33Å; K202-G204 PolarHBondContact O-N 3.25Å
203K59.7Low71.4Confident153 Ų153113.8 Ų113.867%0.66560%0.596SS**  trans-61.4104.7165.2-102.3176.6-178.7164.70104.4T201 L205 E242T201-K203 PolarHBondContact O-N 2.87Å; K203-L205 PolarHBondContact O-N 2.96Å; K203-E242 IonicContact NZ-OE2 3.01Å
204G60.3Low71.7Confident67 Ų67118 Ų11869%0.69162%0.62SS**PPolyproline II helixtrans-49.8135.6176.300000108.6K202 S206K202-G204 VanDerWaalsContact C-N 3.33Å; K202-G204 PolarHBondContact O-N 3.25Å; G204-S206 PolarHBondContact O-N 3.26Å
205L65.4Low72.4Confident175 Ų175121.5 Ų121.592%0.91664%0.637SS**PPolyproline II helixtrans-46.3118.3176.2-71.5166.8000108.2K203 S207K203-L205 PolarHBondContact O-N 2.96Å; L205-S207 PolarHBondContact O-N 2.77Å
206S71.5Confident73.4Confident82 Ų82119 Ų11957%0.57364%0.637SS**PPolyproline II helixtrans-56.4127.3175.955.40000107.2G204 I208 S210G204-S206 PolarHBondContact O-N 3.26Å; S206-I208 PolarHBondContact O-N 2.94Å; S206-S210 WeakPolarHBondContact CB-OG 3.45Å
207S87.4Confident74.6Confident71 Ų71117.7 Ų117.750%0.49764%0.639SS.*PPolyproline II helixtrans-54.5142.3-177.368.90000109.5L205 K209 S210 Y211L205-S207 PolarHBondContact O-N 2.77Å; S207-K209 PolarHBondContact O-N 2.82Å; S207-S210 PolarHBondContact N-OG 2.82Å; S207-S210 WeakPolarHBondContact O-CA 3.34Å; S207-S210 WeakPolarHBondContact O-CB 3.36Å; S207-S210 PolarHBondContact O-N 2.87Å; S207-S210 PolarHBondContact O-OG 3.2Å; S207-S210 PolarHBondContact OG-N 2.94Å; S207-S210 PolarHBondContact OG-OG 3.35Å; S207-Y211 PolarHBondContact O-N 3.4Å; S207-Y211 VanDerWaalsContact O-N 3.14Å
208I90Very high76.1Confident136 Ų136121.3 Ų121.370%0.69765%0.65SS**Hα-helixtrans-51.5-29.7178.2-172.360.8000112.5S206 Y211 K212S206-I208 PolarHBondContact O-N 2.94Å; I208-Y211 HydrophobicContact CD1-CD1 4.24Å; I208-Y211 PolarHBondContact O-N 3.2Å; I208-K212 WeakPolarHBondContact O-CB 3.27Å; I208-K212 PolarHBondContact O-N 2.82Å
209K89.9Confident77.8Confident171 Ų171120.1 Ų120.174%0.74365%0.648SS**Hα-helixtrans-63.8-44.9174.6-169.5176-177.8179.40112.4S207 K212 A213S207-K209 PolarHBondContact O-N 2.82Å; K209-K212 PolarHBondContact O-N 3.33Å; K209-A213 PolarHBondContact O-N 2.84Å; K209-A213 VanDerWaalsContact O-N 3.09Å
210S88.8Confident79.4Confident41 Ų41118.9 Ų118.929%0.28765%0.645SS.*Hα-helixtrans-66.2-39.6175.663.30000112.4S206 S207 A213 N214S206-S210 WeakPolarHBondContact CB-OG 3.45Å; S207-S210 PolarHBondContact N-OG 2.82Å; S207-S210 WeakPolarHBondContact O-CA 3.34Å; S207-S210 WeakPolarHBondContact O-CB 3.36Å; S207-S210 PolarHBondContact O-N 2.87Å; S207-S210 PolarHBondContact O-OG 3.2Å; S207-S210 PolarHBondContact OG-N 2.94Å; S207-S210 PolarHBondContact OG-OG 3.35Å; S210-A213 PolarHBondContact O-N 2.88Å; S210-N214 PolarHBondContact O-N 3.12Å
211Y89.5Confident80.9Confident124 Ų124112 Ų11249%0.48662%0.622SS.*Hα-helixtrans-62.5-45.3175.2178.9-108000111.9S207 I208 A213 N214 L215S207-Y211 PolarHBondContact O-N 3.4Å; S207-Y211 VanDerWaalsContact O-N 3.14Å; I208-Y211 HydrophobicContact CD1-CD1 4.24Å; I208-Y211 PolarHBondContact O-N 3.2Å; Y211-A213 VanDerWaalsContact C-N 3.31Å; Y211-A213 PolarHBondContact O-N 2.6Å; Y211-N214 PolarHBondContact O-N 2.86Å; Y211-L215 HydrophobicContact CD1-CD1 3.96Å; Y211-L215 HydrophobicContact CD1-CG 4.39Å; Y211-L215 HydrophobicContact CE1-CD1 3.38Å; Y211-L215 HydrophobicContact CE1-CG 3.99Å; Y211-L215 HydrophobicContact CE2-CD2 4.34Å; Y211-L215 HydrophobicContact CE2-CG 4.3Å; Y211-L215 PolarHBondContact O-N 3.26Å
212K92.8Very high82.5Confident156 Ų156116.4 Ų116.468%0.67864%0.636SS**Hα-helixtrans-59.7-41.2175.8-174.7177.9179.2179.40112.1I208 K209 L215 S216I208-K212 WeakPolarHBondContact O-CB 3.27Å; I208-K212 PolarHBondContact O-N 2.82Å; K209-K212 PolarHBondContact O-N 3.33Å; K212-L215 PolarHBondContact O-N 3.23Å; K212-S216 PolarHBondContact O-N 2.9Å; K212-S216 PolarHBondContact O-OG 2.84Å
213A91.1Very high83.6Confident54 Ų54110 Ų11045%0.44662%0.622SS.*Hα-helixtrans-63-43176.200000111.7K209 S210 Y211 L215 S216 G217K209-A213 PolarHBondContact O-N 2.84Å; K209-A213 VanDerWaalsContact O-N 3.09Å; S210-A213 PolarHBondContact O-N 2.88Å; Y211-A213 VanDerWaalsContact C-N 3.31Å; Y211-A213 PolarHBondContact O-N 2.6Å; A213-L215 PolarHBondContact O-N 3.43Å; A213-S216 WeakPolarHBondContact CA-OG 3.4Å; A213-S216 PolarHBondContact O-N 3.33Å; A213-S216 PolarHBondContact O-OG 3.16Å; A213-G217 PolarHBondContact O-N 3.47Å; A213-G217 VanDerWaalsContact O-N 3.16Å
214N89.8Confident84.5Confident112 Ų112106.2 Ų106.260%0.59961%0.611SS**Hα-helixtrans-62.6-43.3176.6-69.1-11000111.9S210 Y211 S216 G217 M218S210-N214 PolarHBondContact O-N 3.12Å; Y211-N214 PolarHBondContact O-N 2.86Å; N214-S216 VanDerWaalsContact C-N 3.33Å; N214-S216 PolarHBondContact O-N 2.93Å; N214-G217 PolarHBondContact O-N 3.49Å; N214-G217 VanDerWaalsContact O-N 3.12Å; N214-M218 PolarHBondContact O-N 3Å
215L90Very high85.7Confident83 Ų83107.2 Ų107.244%0.43560%0.604SS.*Hα-helixtrans-60.6-41.8175.7-72.7-178.8000112.2Y211 K212 A213 G217 M218Y211-L215 HydrophobicContact CD1-CD1 3.96Å; Y211-L215 HydrophobicContact CD1-CG 4.39Å; Y211-L215 HydrophobicContact CE1-CD1 3.38Å; Y211-L215 HydrophobicContact CE1-CG 3.99Å; Y211-L215 HydrophobicContact CE2-CD2 4.34Å; Y211-L215 HydrophobicContact CE2-CG 4.3Å; Y211-L215 PolarHBondContact O-N 3.26Å; K212-L215 PolarHBondContact O-N 3.23Å; A213-L215 PolarHBondContact O-N 3.43Å; L215-G217 PolarHBondContact O-N 2.81Å; L215-M218 HydrophobicContact CD2-SD 3.86Å; L215-M218 PolarHBondContact O-N 3.36Å
216S90.7Very high86.5Confident103 Ų103102.1 Ų102.172%0.7257%0.572SS**Hα-helixtrans-67.6-20.6177.557.70000113.8K212 A213 N214K212-S216 PolarHBondContact O-N 2.9Å; K212-S216 PolarHBondContact O-OG 2.84Å; A213-S216 WeakPolarHBondContact CA-OG 3.4Å; A213-S216 PolarHBondContact O-N 3.33Å; A213-S216 PolarHBondContact O-OG 3.16Å; N214-S216 VanDerWaalsContact C-N 3.33Å; N214-S216 PolarHBondContact O-N 2.93Å
217G86.8Confident87.3Confident55 Ų55105.4 Ų105.457%0.56758%0.576SS**THydrogen-bonded Turntrans-92.3-1176.800000114.6A213 N214 L215 V219A213-G217 PolarHBondContact O-N 3.47Å; A213-G217 VanDerWaalsContact O-N 3.16Å; N214-G217 PolarHBondContact O-N 3.49Å; N214-G217 VanDerWaalsContact O-N 3.12Å; L215-G217 PolarHBondContact O-N 2.81Å; G217-V219 PolarHBondContact O-N 3.32Å; G217-V219 VanDerWaalsContact O-N 3.14Å
218M88.2Confident87.2Confident147 Ų147102.3 Ų102.372%0.72456%0.555SS**  trans-71.7108179.1-72.6-176.671.300110.3N214 L215N214-M218 PolarHBondContact O-N 3Å; L215-M218 HydrophobicContact CD2-SD 3.86Å; L215-M218 PolarHBondContact O-N 3.36Å
219V88.4Confident87.1Confident120 Ų12096 Ų9673%0.72752%0.523SS*.  trans-118.5132.7175.8179.80000108.9G217G217-V219 PolarHBondContact O-N 3.32Å; G217-V219 VanDerWaalsContact O-N 3.14Å
220I88.8Confident86.9Confident146 Ų14694 Ų9475%0.74951%0.514SS*.  trans-80.9119.1172.5-57.4174.8000107.4V225I220-V225 HydrophobicContact CG2-CG2 3.31Å
221S86Confident86.7Confident51 Ų5193.5 Ų93.536%0.35751%0.514SS..  trans-117.5156.5175.967.60000110.5A223 T224 V225S221-A223 PolarHBondContact O-N 3.28Å; S221-T224 PolarHBondContact N-OG1 3.33Å; S221-T224 PolarHBondContact O-N 2.86Å; S221-T224 PolarHBondContact O-OG1 3.06Å; S221-T224 WeakPolarHBondContact OG-CG2 3.38Å; S221-T224 PolarHBondContact OG-OG1 2.58Å; S221-T224 VanDerWaalsContact OG-OG1 3.05Å; S221-V225 WeakPolarHBondContact O-CG2 3.38Å; S221-V225 PolarHBondContact O-N 3Å
222E82.9Confident86.7Confident190 Ų19091 Ų9189%0.88852%0.52SS*.G310 helixtrans-58.6-32.4177.1-65.9-178.3171.700112.1T224 V225E222-T224 PolarHBondContact O-N 3.35Å; E222-V225 PolarHBondContact O-N 3.19Å
223A77.4Confident86.8Confident74 Ų7488 Ų8861%0.61251%0.51SS*.G310 helixtrans-64.9-25.317500000113.5S221S221-A223 PolarHBondContact O-N 3.28Å
224T78.4Confident86.9Confident72 Ų7286.9 Ų86.944%0.44250%0.499SS..G310 helixtrans-99.2-7.8-177.954.20000113.9S221 E222 W259S221-T224 PolarHBondContact N-OG1 3.33Å; S221-T224 PolarHBondContact O-N 2.86Å; S221-T224 PolarHBondContact O-OG1 3.06Å; S221-T224 WeakPolarHBondContact OG-CG2 3.38Å; S221-T224 PolarHBondContact OG-OG1 2.58Å; S221-T224 VanDerWaalsContact OG-OG1 3.05Å; E222-T224 PolarHBondContact O-N 3.35Å; T224-W259 WeakPolarHBondContact O-CH2 3.34Å
225V84.9Confident87.1Confident88 Ų8882.1 Ų82.153%0.53347%0.474SS..  trans-103.5124.4-179.9176.70000109I220 S221 E222I220-V225 HydrophobicContact CG2-CG2 3.31Å; S221-V225 WeakPolarHBondContact O-CG2 3.38Å; S221-V225 PolarHBondContact O-N 3Å; E222-V225 PolarHBondContact O-N 3.19Å
226R84.1Confident87.4Confident68 Ų6882.3 Ų82.326%0.25748%0.479SS..  trans-138.5149174.8-71.2-165.2-177.3-1724.4112.6V228 W259 Q264 S265R226-V228 PolarHBondContact O-N 2.81Å; R226-W259 HydrophobicContact CB-CZ2 4.15Å; R226-W259 HydrophobicContact CG-CZ2 4.34Å; R226-Q264 PolarHBondContact NH2-O 3.35Å; R226-S265 PolarHBondContact NH1-O 3.43Å; R226-S265 PolarHBondContact NH2-O 2.94Å
227K87.3Confident87.6Confident151 Ų15177.9 Ų77.966%0.65745%0.449SS*.  trans-86.6101173.1-176.9173.3-179.4178.70109.2T229 K230 M269K227-T229 WeakPolarHBondContact CE-O 3.3Å; K227-T229 VanDerWaalsContact CG-O 3.32Å; K227-T229 WeakPolarHBondContact CG-O 3.48Å; K227-K230 WeakPolarHBondContact CE-O 3.38Å; K227-K230 PolarHBondContact NZ-O 3.22Å; K227-M269 VanDerWaalsContact O-CE 3.25Å; K227-M269 WeakPolarHBondContact O-CE 3.39Å
228V86.2Confident87.9Confident7 Ų781 Ų814%0.04245%0.452CS..  trans-79.6-25.5-174.9-178.50000113.5R226 A249 W259 M269 V271R226-V228 PolarHBondContact O-N 2.81Å; V228-A249 HydrophobicContact CB-CB 4.45Å; V228-A249 HydrophobicContact CG1-CB 3.93Å; V228-W259 HydrophobicContact CG1-CB 4.41Å; V228-W259 HydrophobicContact CG2-CB 4.19Å; V228-W259 HydrophobicContact CG2-CD2 4.12Å; V228-W259 HydrophobicContact CG2-CE3 3.95Å; V228-W259 HydrophobicContact CG2-CG 4.26Å; V228-M269 WeakPolarHBondContact O-CE 3.47Å; V228-V271 VanDerWaalsContact O-CG2 3.26Å; V228-V271 WeakPolarHBondContact O-CG2 3.29Å
229T86.9Confident88Confident4 Ų474.5 Ų74.53%0.02542%0.42CS..  trans-138.4154.7178.653.70000110.4K227 G231 A251 Q255K227-T229 WeakPolarHBondContact CE-O 3.3Å; K227-T229 VanDerWaalsContact CG-O 3.32Å; K227-T229 WeakPolarHBondContact CG-O 3.48Å; T229-G231 VanDerWaalsContact C-N 3.32Å; T229-G231 PolarHBondContact OG1-O 3.14Å; T229-A251 HydrophobicContact CG2-CB 4.01Å; T229-Q255 HydrophobicContact CG2-CB 4.47Å
230K84.9Confident88Confident129 Ų12972.3 Ų72.356%0.56141%0.408SS*.SBendtrans-66.1-39.4177.8-67.5-178.6-177.6172.20110.9E174 K227E174-K230 IonicContact OE1-NZ 3.63Å; E174-K230 PolarHBondContact OE1-NZ 3.43Å; K227-K230 WeakPolarHBondContact CE-O 3.38Å; K227-K230 PolarHBondContact NZ-O 3.22Å
231G85.5Confident87.9Confident29 Ų2966.1 Ų66.130%0.29938%0.378SS..SBendtrans-90.4175.4177.700000114.9T229T229-G231 VanDerWaalsContact C-N 3.32Å; T229-G231 PolarHBondContact OG1-O 3.14Å
232A90.6Very high87.6Confident73 Ų7370.7 Ų70.760%0.60339%0.393SS*.  trans-64.8131.8176.200000111.2A251 K252A232-A251 WeakPolarHBondContact O-CA 3.18Å; A232-K252 PolarHBondContact O-N 2.87Å
233I94Very high87.6Confident91 Ų9166.5 Ų66.547%0.46738%0.38SS..EExtended strand (participates in β ladder)trans-71.9128.6177.6-60.1171.4000108.7S235 V236 A249 G250I233-S235 WeakPolarHBondContact CG2-O 3.39Å; I233-V236 HydrophobicContact CG2-CG2 3.62Å; I233-A249 HydrophobicContact CD1-CB 4.37Å; I233-A249 HydrophobicContact CG2-CB 4.17Å; I233-G250 CarbonylContact C-O 3.53Å; I233-G250 WeakPolarHBondContact CA-O 3.16Å
234S93.4Very high88Confident31 Ų3166.4 Ų66.422%0.21736%0.364CS..EExtended strand (participates in β ladder)trans-106.4-36.9-177.947.50000113G250 Y278 V279S234-G250 PolarHBondContact N-O 3.45Å; S234-G250 VanDerWaalsContact OG-C 3.28Å; S234-G250 PolarHBondContact OG-O 3.2Å; S234-Y278 VanDerWaalsContact CB-OH 3.24Å; S234-Y278 WeakPolarHBondContact CB-OH 3.41Å; S234-V279 VanDerWaalsContact CB-O 3.29Å; S234-V279 WeakPolarHBondContact CB-O 3.46Å; S234-V279 PolarHBondContact OG-O 2.85Å
235S94.3Very high88.5Confident12 Ų1266.6 Ų66.68%0.08437%0.366CS..EExtended strand (participates in β ladder)trans-142.2150.3-175.952.40000110I233 A249 G250 V279I233-S235 WeakPolarHBondContact CG2-O 3.39Å; S235-A249 CarbonylContact O-C 3.47Å; S235-A249 WeakPolarHBondContact O-CA 3.37Å; S235-G250 PolarHBondContact N-O 3.47Å; S235-G250 PolarHBondContact O-N 3.01Å; S235-V279 PolarHBondContact OG-O 3.36Å
236V95.3Very high88.8Confident87 Ų8762.5 Ų62.553%0.52734%0.34SS..EExtended strand (participates in β ladder)trans-139.8138.7178.5179.50000108.5I233 V247 A248 A249I233-V236 HydrophobicContact CG2-CG2 3.62Å; V236-V247 HydrophobicContact CG1-CG1 3.68Å; V236-A248 CarbonylContact C-O 3.45Å; V236-A248 WeakPolarHBondContact CA-O 3.26Å; V236-A249 HydrophobicContact CG2-CB 4.47Å
237A95.1Very high89.2Confident11 Ų1159.9 Ų59.99%0.09133%0.332CS..EExtended strand (participates in β ladder)trans-128.8139.417300000110.1A248 L282 F284 L292A237-A248 HydrophobicContact CB-CB 4.47Å; A237-A248 PolarHBondContact N-O 3.25Å; A237-A248 PolarHBondContact O-N 3.07Å; A237-L282 HydrophobicContact CB-CB 3.84Å; A237-F284 HydrophobicContact CB-CD2 3.8Å; A237-F284 HydrophobicContact CB-CE2 3.64Å; A237-L292 HydrophobicContact CB-CD1 4.46Å
238L92.9Very high89.5Confident119 Ų11952.7 Ų52.762%0.62330%0.301SS*.EExtended strand (participates in β ladder)trans-102.4131173.4-64.2176.9000109.1V247 F284L238-V247 HydrophobicContact CD2-CB 4.33Å; L238-V247 HydrophobicContact CD2-CG1 4.14Å; L238-V247 HydrophobicContact CD2-CG2 3.63Å; L238-F284 VanDerWaalsContact C-CE2 3.46Å; L238-F284 VanDerWaalsContact O-CD2 3.28Å; L238-F284 WeakPolarHBondContact O-CD2 3.33Å
239H91.6Very high89.9Confident12 Ų1252.5 Ų52.56%0.05630%0.3CS..  trans-69140.8174.8-174.7-96.9000109.8S241 L246 F284 P289H239-S241 WeakPolarHBondContact ND1-CB 3.19Å; H239-S241 PolarHBondContact ND1-N 3.41Å; H239-S241 PolarHBondContact O-N 2.88Å; H239-L246 HydrophobicContact CB-CB 3.7Å; H239-L246 HydrophobicContact CB-CD1 4.49Å; H239-L246 PolarHBondContact N-O 3.08Å; H239-F284 HydrophobicContact CB-CD2 4.39Å; H239-F284 HydrophobicContact CB-CE1 4.27Å; H239-F284 HydrophobicContact CB-CE2 4.06Å; H239-F284 HydrophobicContact CB-CZ 3.99Å; H239-F284 AromaticContact CD2-CD1 3.74Å; H239-F284 AromaticContact CD2-CE1 3.77Å; H239-P289 PolarHBondContact CD2-O 3.11Å; H239-P289 WeakPolarHBondContact NE2-CB 2.98Å; H239-P289 PolarHBondContact NE2-O 3.45Å
240P88.4Confident90.3Very high74 Ų7452.3 Ų52.348%0.48130%0.299SS..  trans-74.38.3-175.231.1-38000115P289P240-P289 HydrophobicContact CG-CB 3.72Å; P240-P289 HydrophobicContact CG-CG 4.05Å
241S85.3Confident90.8Very high16 Ų1646.1 Ų46.111%0.11227%0.272CS..  trans-69135.6-179.7176.80000111.7H239 V243 R244H239-S241 WeakPolarHBondContact ND1-CB 3.19Å; H239-S241 PolarHBondContact ND1-N 3.41Å; H239-S241 PolarHBondContact O-N 2.88Å; S241-V243 PolarHBondContact OG-N 2.87Å; S241-V243 VanDerWaalsContact OG-N 3.17Å; S241-R244 PolarHBondContact OG-N 2.91Å
242E80.5Confident91.1Very high146 Ų14651.6 Ų51.668%0.68229%0.288SS*.SBendtrans-84.3-14.3173-62.2-168.7-174.500113.4K203K203-E242 IonicContact NZ-OE2 3.01Å
243V83.2Confident91.1Very high102 Ų10249.9 Ų49.962%0.61827%0.271SS*.SBendtrans-90.7-41.2-172.5-177.50000110.9M193 S241M193-V243 HydrophobicContact CE-CG1 4.26Å; M193-V243 HydrophobicContact SD-CB 3.9Å; M193-V243 HydrophobicContact SD-CG1 4.14Å; S241-V243 PolarHBondContact OG-N 2.87Å; S241-V243 VanDerWaalsContact OG-N 3.17Å
244R85.6Confident90.9Very high72 Ų7245.6 Ų45.627%0.27225%0.249SC..SBendtrans-131.7138.1178.3-65.6-164.9-177.5-174.55.7111.1M193 S241 L246 D260 T262M193-R244 HydrophobicContact CE-CG 3.84Å; M193-R244 HydrophobicContact SD-CB 4.48Å; M193-R244 HydrophobicContact SD-CG 4.19Å; S241-R244 PolarHBondContact OG-N 2.91Å; R244-L246 HydrophobicContact CB-CD2 4.14Å; R244-L246 HydrophobicContact CB-CG 4.17Å; R244-L246 PolarHBondContact O-N 3.34Å; R244-D260 IonicContact CZ-OD2 3.85Å; R244-D260 IonicContact NH1-OD2 3.95Å; R244-D260 PolarHBondContact NH1-OD2 3.3Å; R244-T262 HydrophobicContact CB-CG2 3.89Å; R244-T262 WeakPolarHBondContact CD-OG1 3.12Å; R244-T262 HydrophobicContact CG-CG2 3.98Å
245T88.7Confident90.9Very high77 Ų7744.2 Ų44.247%0.47224%0.239SC..  trans-85.494.6173.8-43.20000109L261T245-L261 HydrophobicContact CG2-CD1 3.44Å; T245-L261 VanDerWaalsContact CG2-CD1 3.44Å; T245-L261 WeakPolarHBondContact O-CB 3.38Å; T245-L261 PolarHBondContact O-N 3.18Å; T245-L261 VanDerWaalsContact O-N 3.13Å
246L90.4Very high90.9Very high1 Ų143.7 Ų43.71%0.00524%0.235CC..EExtended strand (participates in β ladder)trans-99.7134.4177-52.4173.9000109.6W190 M193 H239 R244 D260W190-L246 HydrophobicContact CD2-CB 4.44Å; W190-L246 HydrophobicContact CD2-CD1 3.77Å; W190-L246 HydrophobicContact CE3-CB 4.46Å; W190-L246 HydrophobicContact CE3-CD1 4.18Å; W190-L246 HydrophobicContact CG-CD1 3.92Å; W190-L246 HydrophobicContact CH2-CB 3.74Å; W190-L246 HydrophobicContact CZ2-CB 3.7Å; W190-L246 HydrophobicContact CZ2-CD1 4.41Å; W190-L246 HydrophobicContact CZ2-CD2 4.1Å; W190-L246 HydrophobicContact CZ2-CG 4.28Å; W190-L246 HydrophobicContact CZ3-CB 4.13Å; M193-L246 HydrophobicContact CB-CD1 4.32Å; M193-L246 HydrophobicContact CG-CD1 4.38Å; H239-L246 HydrophobicContact CB-CB 3.7Å; H239-L246 HydrophobicContact CB-CD1 4.49Å; H239-L246 PolarHBondContact N-O 3.08Å; R244-L246 HydrophobicContact CB-CD2 4.14Å; R244-L246 HydrophobicContact CB-CG 4.17Å; R244-L246 PolarHBondContact O-N 3.34Å; L246-D260 HydrophobicContact CD2-CB 3.74Å; L246-D260 VanDerWaalsContact CD2-CG 3.44Å
247V92.6Very high90.8Very high13 Ų1339.5 Ų39.58%0.07921%0.21CC..EExtended strand (participates in β ladder)trans-125.6131.3-175.2-171.90000109.6V236 L238 W259 L261V236-V247 HydrophobicContact CG1-CG1 3.68Å; L238-V247 HydrophobicContact CD2-CB 4.33Å; L238-V247 HydrophobicContact CD2-CG1 4.14Å; L238-V247 HydrophobicContact CD2-CG2 3.63Å; V247-W259 HydrophobicContact CB-CB 4.48Å; V247-W259 HydrophobicContact CB-CE3 4.39Å; V247-W259 HydrophobicContact CG2-CE3 4.42Å; V247-W259 PolarHBondContact N-O 3.43Å; V247-W259 PolarHBondContact O-N 3.27Å; V247-L261 HydrophobicContact CG2-CD1 3.54Å; V247-L261 HydrophobicContact CG2-CG 4.22Å
248A94.2Very high90.7Very high0 Ų039.1 Ų39.10%021%0.207CC..EExtended strand (participates in β ladder)trans-106.8134.9166.600000109.3V236 A237 G257 L258 L282 F284 L292V236-A248 CarbonylContact C-O 3.45Å; V236-A248 WeakPolarHBondContact CA-O 3.26Å; A237-A248 HydrophobicContact CB-CB 4.47Å; A237-A248 PolarHBondContact N-O 3.25Å; A237-A248 PolarHBondContact O-N 3.07Å; A248-G257 CarbonylContact C-O 3.45Å; A248-G257 WeakPolarHBondContact CA-O 3.31Å; A248-L258 HydrophobicContact CB-CD2 3.79Å; A248-L282 HydrophobicContact CB-CD1 4.27Å; A248-F284 HydrophobicContact CB-CE2 4.16Å; A248-F284 HydrophobicContact CB-CZ 3.83Å; A248-L292 HydrophobicContact CB-CD1 4.13Å; A248-L292 HydrophobicContact CB-CD2 3.85Å
249A95.4Very high90.6Very high3 Ų335.3 Ų35.33%0.02518%0.184CC..EExtended strand (participates in β ladder)trans-128.5127.4179.500000110.1V228 I233 S235 V236 I256 G257 L282V228-A249 HydrophobicContact CB-CB 4.45Å; V228-A249 HydrophobicContact CG1-CB 3.93Å; I233-A249 HydrophobicContact CD1-CB 4.37Å; I233-A249 HydrophobicContact CG2-CB 4.17Å; S235-A249 CarbonylContact O-C 3.47Å; S235-A249 WeakPolarHBondContact O-CA 3.37Å; V236-A249 HydrophobicContact CG2-CB 4.47Å; A249-I256 CarbonylContact O-C 3.57Å; A249-I256 WeakPolarHBondContact O-CA 3.43Å; A249-G257 PolarHBondContact N-O 2.62Å; A249-G257 PolarHBondContact O-N 2.79Å; A249-L282 VanDerWaalsContact C-CD1 3.49Å
250G95.3Very high90.5Very high0 Ų035 Ų350%018%0.183CC..EExtended strand (participates in β ladder)trans-97.3142.917700000109.6I233 S234 S235I233-G250 CarbonylContact C-O 3.53Å; I233-G250 WeakPolarHBondContact CA-O 3.16Å; S234-G250 PolarHBondContact N-O 3.45Å; S234-G250 VanDerWaalsContact OG-C 3.28Å; S234-G250 PolarHBondContact OG-O 3.2Å; S235-G250 PolarHBondContact N-O 3.47Å; S235-G250 PolarHBondContact O-N 3.01Å
251A94.5Very high90.4Very high0 Ų034.9 Ų34.90%018%0.178CC..EExtended strand (participates in β ladder)trans-112.3161.3179.200000112.6T229 A232 S253 G254 Q255 V279T229-A251 HydrophobicContact CG2-CB 4.01Å; A232-A251 WeakPolarHBondContact O-CA 3.18Å; A251-S253 PolarHBondContact O-N 2.99Å; A251-G254 PolarHBondContact O-N 2.96Å; A251-G254 VanDerWaalsContact O-N 3.12Å; A251-Q255 HydrophobicContact CB-CB 4.13Å; A251-Q255 PolarHBondContact N-O 2.89Å; A251-V279 PolarHBondContact O-N 3.49Å
252K92.4Very high90.1Very high144 Ų14437.5 Ų37.563%0.62619%0.193SC*.THydrogen-bonded Turntrans-61.4-24.4171.8179.2161.8-174.5-171.50114.1A232 G254 Y278A232-K252 PolarHBondContact O-N 2.87Å; K252-G254 VanDerWaalsContact C-N 3.26Å; K252-G254 PolarHBondContact O-N 3.04Å; K252-Y278 HydrophobicContact CB-CD2 3.63Å; K252-Y278 HydrophobicContact CB-CE2 4.29Å; K252-Y278 HydrophobicContact CD-CD2 4.26Å; K252-Y278 HydrophobicContact CG-CD2 3.73Å; K252-Y278 WeakPolarHBondContact O-CA 3.49Å; K252-Y278 PolarHBondContact O-N 3.41Å
253S89.9Confident89.9Confident37 Ų3734.7 Ų34.726%0.25918%0.18SC..THydrogen-bonded Turntrans-77.9-3.6176.443.80000114.2A251 Q255A251-S253 PolarHBondContact O-N 2.99Å; S253-Q255 VanDerWaalsContact C-N 3.27Å; S253-Q255 PolarHBondContact OG-OE1 3.47Å
254G90.3Very high89.2Confident0 Ų038.1 Ų38.10%019%0.189CC..SBendtrans84.91.4-172.900000114.5A251 K252 A274 H275 R277A251-G254 PolarHBondContact O-N 2.96Å; A251-G254 VanDerWaalsContact O-N 3.12Å; K252-G254 VanDerWaalsContact C-N 3.26Å; K252-G254 PolarHBondContact O-N 3.04Å; G254-A274 PolarHBondContact O-N 3.05Å; G254-H275 CarbonylContact C-O 3.53Å; G254-H275 WeakPolarHBondContact CA-O 3.33Å; G254-H275 PolarHBondContact O-N 2.71Å; G254-H275 VanDerWaalsContact O-N 3.11Å; G254-R277 WeakPolarHBondContact CA-O 3.4Å; G254-R277 PolarHBondContact N-O 2.99Å
255Q93.3Very high88.3Confident3 Ų336.7 Ų36.71%0.01419%0.19CC..EExtended strand (participates in β ladder)trans-73.6142.3172.4-68.1166.9-32.400111.1E174 T229 A251 S253 V271 F272 Y273E174-Q255 PolarHBondContact OE2-NE2 2.78Å; T229-Q255 HydrophobicContact CG2-CB 4.47Å; A251-Q255 HydrophobicContact CB-CB 4.13Å; A251-Q255 PolarHBondContact N-O 2.89Å; S253-Q255 VanDerWaalsContact C-N 3.27Å; S253-Q255 PolarHBondContact OG-OE1 3.47Å; Q255-V271 HydrophobicContact CB-CG1 3.88Å; Q255-V271 HydrophobicContact CG-CG1 4.02Å; Q255-F272 CarbonylContact C-O 3.57Å; Q255-F272 WeakPolarHBondContact CA-O 3.4Å; Q255-Y273 HydrophobicContact CG-CD1 4.43Å; Q255-Y273 HydrophobicContact CG-CD2 3.95Å; Q255-Y273 HydrophobicContact CG-CE1 4.13Å; Q255-Y273 HydrophobicContact CG-CE2 3.65Å; Q255-Y273 HydrophobicContact CG-CG 4.35Å
256I94.4Very high87.3Confident0 Ų041.1 Ų41.10%021%0.205CC..EExtended strand (participates in β ladder)trans-116.8118168.3-59.8178.7000107.3A249 L258 F272 A274 V279 L282 L292 F311A249-I256 CarbonylContact O-C 3.57Å; A249-I256 WeakPolarHBondContact O-CA 3.43Å; I256-L258 HydrophobicContact CG2-CD2 4.48Å; I256-F272 PolarHBondContact N-O 2.93Å; I256-F272 WeakPolarHBondContact O-CD2 3.35Å; I256-F272 PolarHBondContact O-N 3.28Å; I256-A274 HydrophobicContact CD1-CB 3.44Å; I256-A274 VanDerWaalsContact CD1-CB 3.44Å; I256-A274 HydrophobicContact CG1-CB 3.97Å; I256-V279 HydrophobicContact CG1-CG2 4.22Å; I256-L282 HydrophobicContact CD1-CD2 3.95Å; I256-L282 HydrophobicContact CG1-CD2 4.37Å; I256-L282 HydrophobicContact CG2-CD1 4.39Å; I256-L292 HydrophobicContact CG2-CD2 4.1Å; I256-F311 HydrophobicContact CD1-CE1 4.09Å; I256-F311 HydrophobicContact CD1-CZ 4.45Å
257G93.3Very high86.2Confident0 Ų044.7 Ų44.70%023%0.225CC..EExtended strand (participates in β ladder)trans-97.1136.5172.900000111.7A248 A249 Y270A248-G257 CarbonylContact C-O 3.45Å; A248-G257 WeakPolarHBondContact CA-O 3.31Å; A249-G257 PolarHBondContact N-O 2.62Å; A249-G257 PolarHBondContact O-N 2.79Å; G257-Y270 CarbonylContact C-O 3.54Å; G257-Y270 WeakPolarHBondContact CA-O 3.42Å
258L92.3Very high85.4Confident3 Ų344.2 Ų44.22%0.01622%0.222CC..EExtended strand (participates in β ladder)trans-106.1138.5169.1-58.9-175.3000109.3M171 L187 W190 A248 I256 M269 Y270 F272 L292 F306M171-L258 HydrophobicContact CE-CD1 4.15Å; L187-L258 HydrophobicContact CD2-CD1 4.28Å; W190-L258 HydrophobicContact CD2-CD1 4.5Å; W190-L258 HydrophobicContact CE3-CD1 4.46Å; W190-L258 HydrophobicContact CH2-CB 3.91Å; W190-L258 HydrophobicContact CH2-CD1 4.32Å; W190-L258 HydrophobicContact CH2-CD2 3.65Å; W190-L258 HydrophobicContact CH2-CG 4.14Å; W190-L258 HydrophobicContact CZ2-CB 3.75Å; W190-L258 HydrophobicContact CZ2-CD1 4.34Å; W190-L258 HydrophobicContact CZ2-CD2 4.34Å; W190-L258 HydrophobicContact CZ2-CG 4.35Å; W190-L258 HydrophobicContact CZ3-CD1 4.36Å; W190-L258 HydrophobicContact CZ3-CD2 3.81Å; A248-L258 HydrophobicContact CB-CD2 3.79Å; I256-L258 HydrophobicContact CG2-CD2 4.48Å; L258-M269 WeakPolarHBondContact O-CA 3.33Å; L258-Y270 PolarHBondContact N-O 2.73Å; L258-Y270 PolarHBondContact O-N 3.04Å; L258-F272 HydrophobicContact CB-CE2 4.29Å; L258-F272 HydrophobicContact CD1-CD2 4.31Å; L258-F272 HydrophobicContact CD1-CE2 3.52Å; L258-F272 HydrophobicContact CD1-CZ 4.31Å; L258-F272 HydrophobicContact CG-CD2 4.13Å; L258-F272 HydrophobicContact CG-CE2 3.66Å; L258-L292 HydrophobicContact CD2-CD2 4.31Å; L258-F306 HydrophobicContact CD1-CD1 4.13Å; L258-F306 HydrophobicContact CD1-CE1 3.6Å; L258-F306 HydrophobicContact CD2-CE1 4.12Å; L258-F306 HydrophobicContact CD2-CZ 4.36Å
259W91.3Very high85.1Confident38 Ų3845.5 Ų45.514%0.14423%0.229CC..EExtended strand (participates in β ladder)trans-139.7122.3-178.5-178.730000111.1T224 R226 V228 V247 L261T224-W259 WeakPolarHBondContact O-CH2 3.34Å; R226-W259 HydrophobicContact CB-CZ2 4.15Å; R226-W259 HydrophobicContact CG-CZ2 4.34Å; V228-W259 HydrophobicContact CG1-CB 4.41Å; V228-W259 HydrophobicContact CG2-CB 4.19Å; V228-W259 HydrophobicContact CG2-CD2 4.12Å; V228-W259 HydrophobicContact CG2-CE3 3.95Å; V228-W259 HydrophobicContact CG2-CG 4.26Å; V247-W259 HydrophobicContact CB-CB 4.48Å; V247-W259 HydrophobicContact CB-CE3 4.39Å; V247-W259 HydrophobicContact CG2-CE3 4.42Å; V247-W259 PolarHBondContact N-O 3.43Å; V247-W259 PolarHBondContact O-N 3.27Å; W259-L261 HydrophobicContact CD2-CD2 4.13Å; W259-L261 HydrophobicContact CD2-CG 4.16Å; W259-L261 HydrophobicContact CE3-CD2 4.03Å; W259-L261 HydrophobicContact CE3-CG 4.15Å; W259-L261 HydrophobicContact CH2-CD2 3.21Å; W259-L261 HydrophobicContact CH2-CG 4.2Å; W259-L261 HydrophobicContact CZ2-CD2 3.27Å; W259-L261 HydrophobicContact CZ2-CG 4.17Å; W259-L261 HydrophobicContact CZ3-CD2 3.59Å; W259-L261 HydrophobicContact CZ3-CG 4.16Å
260D89.5Confident84.8Confident6 Ų645.9 Ų45.93%0.03223%0.229CC..EExtended strand (participates in β ladder)trans-91.8112.6167.2-171.1-15.7000109.5R244 L246 T262 A268R244-D260 IonicContact CZ-OD2 3.85Å; R244-D260 IonicContact NH1-OD2 3.95Å; R244-D260 PolarHBondContact NH1-OD2 3.3Å; L246-D260 HydrophobicContact CD2-CB 3.74Å; L246-D260 VanDerWaalsContact CD2-CG 3.44Å; D260-T262 VanDerWaalsContact C-N 3.28Å; D260-T262 VanDerWaalsContact CG-OG1 3.31Å; D260-T262 PolarHBondContact O-N 2.81Å; D260-T262 WeakPolarHBondContact OD1-CB 3.33Å; D260-T262 PolarHBondContact OD1-N 2.76Å; D260-T262 PolarHBondContact OD1-OG1 2.78Å; D260-T262 PolarHBondContact OD2-OG1 2.8Å; D260-A268 HydrophobicContact CB-CB 4.46Å; D260-A268 PolarHBondContact N-O 3.21Å; D260-A268 VanDerWaalsContact N-O 3.12Å
261L85.7Confident84.6Confident72 Ų7246.1 Ų46.138%0.37723%0.231SC..THydrogen-bonded Turntrans-73.5-18.7178.3-79.8160.6000113.3T245 V247 W259 Q263T245-L261 HydrophobicContact CG2-CD1 3.44Å; T245-L261 VanDerWaalsContact CG2-CD1 3.44Å; T245-L261 WeakPolarHBondContact O-CB 3.38Å; T245-L261 PolarHBondContact O-N 3.18Å; T245-L261 VanDerWaalsContact O-N 3.13Å; V247-L261 HydrophobicContact CG2-CD1 3.54Å; V247-L261 HydrophobicContact CG2-CG 4.22Å; W259-L261 HydrophobicContact CD2-CD2 4.13Å; W259-L261 HydrophobicContact CD2-CG 4.16Å; W259-L261 HydrophobicContact CE3-CD2 4.03Å; W259-L261 HydrophobicContact CE3-CG 4.15Å; W259-L261 HydrophobicContact CH2-CD2 3.21Å; W259-L261 HydrophobicContact CH2-CG 4.2Å; W259-L261 HydrophobicContact CZ2-CD2 3.27Å; W259-L261 HydrophobicContact CZ2-CG 4.17Å; W259-L261 HydrophobicContact CZ3-CD2 3.59Å; W259-L261 HydrophobicContact CZ3-CG 4.16Å; L261-Q263 VanDerWaalsContact C-N 3.31Å
262T80.2Confident84.5Confident70 Ų7046.1 Ų46.143%0.42923%0.231SC..THydrogen-bonded Turntrans-79.2-20.7-177.3670000112.4R244 D260R244-T262 HydrophobicContact CB-CG2 3.89Å; R244-T262 WeakPolarHBondContact CD-OG1 3.12Å; R244-T262 HydrophobicContact CG-CG2 3.98Å; D260-T262 VanDerWaalsContact C-N 3.28Å; D260-T262 VanDerWaalsContact CG-OG1 3.31Å; D260-T262 PolarHBondContact O-N 2.81Å; D260-T262 WeakPolarHBondContact OD1-CB 3.33Å; D260-T262 PolarHBondContact OD1-N 2.76Å; D260-T262 PolarHBondContact OD1-OG1 2.78Å; D260-T262 PolarHBondContact OD2-OG1 2.8Å
263Q75.7Confident84.4Confident87 Ų8744.3 Ų44.341%0.40722%0.221SC..  trans-101.3117-178.1-169.3173.81200110.1L261 S265 A268L261-Q263 VanDerWaalsContact C-N 3.31Å; Q263-S265 VanDerWaalsContact C-N 3.3Å; Q263-S265 VanDerWaalsContact CG-OG 3.27Å; Q263-S265 WeakPolarHBondContact CG-OG 3.24Å; Q263-S265 PolarHBondContact NE2-OG 3.3Å; Q263-S265 VanDerWaalsContact NE2-OG 3.16Å; Q263-S265 PolarHBondContact O-N 3.01Å; Q263-A268 HydrophobicContact CB-CB 3.73Å; Q263-A268 HydrophobicContact CG-CB 3.95Å
264Q67.3Low84.4Confident174 Ų17442.5 Ų42.581%0.81321%0.208SC*.  trans-81.5-2.1-179.5-71.1-176.52.300113.9R226R226-Q264 PolarHBondContact NH2-O 3.35Å
265S68Low84.4Confident42 Ų4242.5 Ų42.529%0.29421%0.208SC..SBendtrans-75.3149.7178.260.30000111.7R226 Q263 D267 A268R226-S265 PolarHBondContact NH1-O 3.43Å; R226-S265 PolarHBondContact NH2-O 2.94Å; Q263-S265 VanDerWaalsContact C-N 3.3Å; Q263-S265 VanDerWaalsContact CG-OG 3.27Å; Q263-S265 WeakPolarHBondContact CG-OG 3.24Å; Q263-S265 PolarHBondContact NE2-OG 3.3Å; Q263-S265 VanDerWaalsContact NE2-OG 3.16Å; Q263-S265 PolarHBondContact O-N 3.01Å; S265-D267 PolarHBondContact O-N 2.81Å; S265-A268 WeakPolarHBondContact O-CB 3.28Å; S265-A268 PolarHBondContact O-N 2.81Å
266E66.8Low84.3Confident170 Ų17042.9 Ų42.979%0.79421%0.211SC*.THydrogen-bonded Turntrans-58.4-26.5176.1-69.2-176.3171.700112.2A268E266-A268 VanDerWaalsContact C-N 3.26Å; E266-A268 PolarHBondContact O-N 3.2Å
267D68.3Low84Confident76 Ų7647.4 Ų47.441%0.40623%0.228SC..THydrogen-bonded Turntrans-76.42-179.1-58.7-37.4000116.1Q176 S265 M269 Y270Q176-D267 PolarHBondContact NE2-OD1 2.87Å; S265-D267 PolarHBondContact O-N 2.81Å; D267-M269 PolarHBondContact O-N 3.21Å; D267-Y270 PolarHBondContact O-OH 3.45Å
268A76.2Confident84Confident3 Ų351.2 Ų51.23%0.02524%0.243CC..SBendtrans-81.714.2-177.600000114.3D260 Q263 S265 E266D260-A268 HydrophobicContact CB-CB 4.46Å; D260-A268 PolarHBondContact N-O 3.21Å; D260-A268 VanDerWaalsContact N-O 3.12Å; Q263-A268 HydrophobicContact CB-CB 3.73Å; Q263-A268 HydrophobicContact CG-CB 3.95Å; S265-A268 WeakPolarHBondContact O-CB 3.28Å; S265-A268 PolarHBondContact O-N 2.81Å; E266-A268 VanDerWaalsContact C-N 3.26Å; E266-A268 PolarHBondContact O-N 3.2Å
269M86.8Confident84.1Confident28 Ų2851.1 Ų51.114%0.13824%0.242CC..EExtended strand (participates in β ladder)trans-131.8133.5-172.5174-170.9151.100110.2N175 K227 V228 L258 D267 V271N175-M269 PolarHBondContact ND2-O 3.3Å; K227-M269 VanDerWaalsContact O-CE 3.25Å; K227-M269 WeakPolarHBondContact O-CE 3.39Å; V228-M269 WeakPolarHBondContact O-CE 3.47Å; L258-M269 WeakPolarHBondContact O-CA 3.33Å; D267-M269 PolarHBondContact O-N 3.21Å; M269-V271 HydrophobicContact CE-CG2 3.26Å
270Y89.6Confident84.2Confident11 Ų1151.5 Ų51.54%0.04325%0.251CS..EExtended strand (participates in β ladder)trans-131.6138.4176.4-58.7-78.6000109.8P173 L182 L183 S186 G257 L258 D267 F272P173-Y270 HydrophobicContact CB-CD1 4.12Å; L182-Y270 PolarHBondContact O-OH 2.81Å; L183-Y270 HydrophobicContact CB-CD1 4.32Å; L183-Y270 HydrophobicContact CB-CE1 3.87Å; L183-Y270 HydrophobicContact CD1-CD1 3.84Å; L183-Y270 HydrophobicContact CD1-CE1 4.24Å; L183-Y270 HydrophobicContact CD1-CG 4.36Å; L183-Y270 HydrophobicContact CG-CD1 4.43Å; L183-Y270 HydrophobicContact CG-CE1 4.43Å; S186-Y270 VanDerWaalsContact CB-CE2 3.48Å; S186-Y270 WeakPolarHBondContact OG-CE2 3.48Å; G257-Y270 CarbonylContact C-O 3.54Å; G257-Y270 WeakPolarHBondContact CA-O 3.42Å; L258-Y270 PolarHBondContact N-O 2.73Å; L258-Y270 PolarHBondContact O-N 3.04Å; D267-Y270 PolarHBondContact O-OH 3.45Å; Y270-F272 VanDerWaalsContact CB-CZ 3.46Å; Y270-F272 HydrophobicContact CG-CZ 4.28Å
271V91.8Very high84.4Confident4 Ų454.1 Ų54.12%0.02427%0.269CS..EExtended strand (participates in β ladder)trans-119.2124.8178-174.40000109P173 E174 N175 V228 Q255 M269P173-V271 CarbonylContact C-O 3.58Å; P173-V271 WeakPolarHBondContact CA-O 3.48Å; E174-V271 PolarHBondContact N-O 3.21Å; N175-V271 PolarHBondContact OD1-N 3.39Å; V228-V271 VanDerWaalsContact O-CG2 3.26Å; V228-V271 WeakPolarHBondContact O-CG2 3.29Å; Q255-V271 HydrophobicContact CB-CG1 3.88Å; Q255-V271 HydrophobicContact CG-CG1 4.02Å; M269-V271 HydrophobicContact CE-CG2 3.26Å
272F91.4Very high84.9Confident1 Ų151.2 Ų51.20%0.00425%0.254CS..EExtended strand (participates in β ladder)trans-115.7145.3-177.6-55.9-74.7000110.8M171 I172 P173 L183 Q255 I256 L258 Y270 F311M171-F272 HydrophobicContact CB-CD1 3.88Å; M171-F272 HydrophobicContact CB-CE1 3.73Å; M171-F272 HydrophobicContact CB-CZ 4.38Å; M171-F272 HydrophobicContact CE-CD2 4.19Å; M171-F272 HydrophobicContact CE-CE2 4.09Å; M171-F272 HydrophobicContact CE-CZ 4.31Å; M171-F272 WeakPolarHBondContact O-CE1 3.44Å; I172-F272 WeakPolarHBondContact O-CD1 3.22Å; P173-F272 HydrophobicContact CB-CE1 4.3Å; L183-F272 HydrophobicContact CD1-CE1 3.77Å; L183-F272 HydrophobicContact CD1-CZ 3.9Å; Q255-F272 CarbonylContact C-O 3.57Å; Q255-F272 WeakPolarHBondContact CA-O 3.4Å; I256-F272 PolarHBondContact N-O 2.93Å; I256-F272 WeakPolarHBondContact O-CD2 3.35Å; I256-F272 PolarHBondContact O-N 3.28Å; L258-F272 HydrophobicContact CB-CE2 4.29Å; L258-F272 HydrophobicContact CD1-CD2 4.31Å; L258-F272 HydrophobicContact CD1-CE2 3.52Å; L258-F272 HydrophobicContact CD1-CZ 4.31Å; L258-F272 HydrophobicContact CG-CD2 4.13Å; L258-F272 HydrophobicContact CG-CE2 3.66Å; Y270-F272 VanDerWaalsContact CB-CZ 3.46Å; Y270-F272 HydrophobicContact CG-CZ 4.28Å; F272-F311 HydrophobicContact CB-CE2 3.67Å; F272-F311 HydrophobicContact CB-CZ 3.92Å; F272-F311 HydrophobicContact CD1-CE2 4.48Å; F272-F311 HydrophobicContact CD2-CZ 4.41Å; F272-F311 HydrophobicContact CG-CE2 4.03Å; F272-F311 HydrophobicContact CG-CZ 4.18Å
273Y90.6Very high85.6Confident105 Ų10550.9 Ų50.941%0.41226%0.255SS..EExtended strand (participates in β ladder)trans-93.294.4167.3-103.7-82.9000109.4L169 E174 Q255L169-Y273 WeakPolarHBondContact CD2-O 3.24Å; E174-Y273 WeakPolarHBondContact OE2-CD2 3.37Å; E174-Y273 WeakPolarHBondContact OE2-CE2 3.43Å; Q255-Y273 HydrophobicContact CG-CD1 4.43Å; Q255-Y273 HydrophobicContact CG-CD2 3.95Å; Q255-Y273 HydrophobicContact CG-CE1 4.13Å; Q255-Y273 HydrophobicContact CG-CE2 3.65Å; Q255-Y273 HydrophobicContact CG-CG 4.35Å
274A89.8Confident86.5Confident0 Ų047.6 Ų47.60%024%0.239CC..  trans-95.8-26.4177.600000112.5L164 G254 I256 R302 F311L164-A274 WeakPolarHBondContact CD1-O 3.48Å; G254-A274 PolarHBondContact O-N 3.05Å; I256-A274 HydrophobicContact CD1-CB 3.44Å; I256-A274 VanDerWaalsContact CD1-CB 3.44Å; I256-A274 HydrophobicContact CG1-CB 3.97Å; A274-R302 WeakPolarHBondContact O-CD 3.46Å; A274-R302 PolarHBondContact O-NE 2.69Å; A274-R302 PolarHBondContact O-NH1 2.66Å; A274-F311 HydrophobicContact CB-CD1 4.06Å; A274-F311 HydrophobicContact CB-CD2 4.09Å; A274-F311 HydrophobicContact CB-CE1 4.03Å; A274-F311 HydrophobicContact CB-CE2 4.04Å; A274-F311 HydrophobicContact CB-CG 4.09Å; A274-F311 HydrophobicContact CB-CZ 4.01Å
275H91.1Very high87.6Confident0 Ų040.1 Ų40.10%021%0.206CC..  trans-134.8156.6-174.9-67.9-75.6000111.1G254 V279 S294 S296 D298 T300 R302G254-H275 CarbonylContact C-O 3.53Å; G254-H275 WeakPolarHBondContact CA-O 3.33Å; G254-H275 PolarHBondContact O-N 2.71Å; G254-H275 VanDerWaalsContact O-N 3.11Å; H275-V279 HydrophobicContact CB-CG2 4.33Å; H275-S294 VanDerWaalsContact NE2-CB 3.33Å; H275-S294 WeakPolarHBondContact NE2-CB 3.32Å; H275-S294 PolarHBondContact NE2-OG 2.96Å; H275-S296 WeakPolarHBondContact ND1-CB 3.49Å; H275-D298 VanDerWaalsContact CB-OD2 3.26Å; H275-D298 WeakPolarHBondContact CB-OD2 3.02Å; H275-D298 IonicContact CG-OD2 2.67Å; H275-D298 IonicContact ND1-OD1 2.91Å; H275-D298 IonicContact ND1-OD2 3.11Å; H275-D298 PolarHBondContact ND1-OD2 3.15Å; H275-T300 PolarHBondContact CE1-OG1 3.14Å; H275-T300 PolarHBondContact ND1-OG1 2.88Å; H275-T300 VanDerWaalsContact ND1-OG1 3.14Å; H275-R302 PolarHBondContact ND1-NH1 2.67Å; H275-R302 VanDerWaalsContact ND1-NH1 3.19Å
276S89.6Confident88.5Confident11 Ų1144.1 Ų44.18%0.07723%0.231CC..SBendtrans-90.8-13.8174.963.80000113.1D298S276-D298 PolarHBondContact N-OD2 3.37Å
277R89.7Confident89.4Confident95 Ų9542.1 Ų42.136%0.35823%0.231SC..SBendtrans-130.8179.3-178.7-62-171.1-176.2-111.37.6111.5E160 G254 V279 S296 D298E160-R277 IonicContact OE1-NH2 3.61Å; E160-R277 PolarHBondContact OE1-NH2 3.38Å; E160-R277 VanDerWaalsContact OE1-NH2 3.11Å; G254-R277 WeakPolarHBondContact CA-O 3.4Å; G254-R277 PolarHBondContact N-O 2.99Å; R277-V279 PolarHBondContact O-N 3.22Å; R277-S296 PolarHBondContact O-OG 3.26Å; R277-D298 HydrophobicContact CB-CB 4.06Å; R277-D298 HydrophobicContact CG-CB 4.08Å
278Y91.6Very high90.3Very high80 Ų8041.1 Ų41.131%0.31423%0.225SC..  trans-52.1123.3-176.8174.7-89.3000112.9S234 K252 S280 S296 Y297S234-Y278 VanDerWaalsContact CB-OH 3.24Å; S234-Y278 WeakPolarHBondContact CB-OH 3.41Å; K252-Y278 HydrophobicContact CB-CD2 3.63Å; K252-Y278 HydrophobicContact CB-CE2 4.29Å; K252-Y278 HydrophobicContact CD-CD2 4.26Å; K252-Y278 HydrophobicContact CG-CD2 3.73Å; K252-Y278 WeakPolarHBondContact O-CA 3.49Å; K252-Y278 PolarHBondContact O-N 3.41Å; Y278-S280 VanDerWaalsContact CE1-CA 3.49Å; Y278-S280 PolarHBondContact O-N 3.01Å; Y278-S296 WeakPolarHBondContact O-CA 3.35Å; Y278-S296 PolarHBondContact O-OG 3.12Å; Y278-Y297 AromaticContact CD1-CD2 3.56Å; Y278-Y297 HydrophobicContact CD1-CD2 3.56Å; Y278-Y297 AromaticContact CD1-CE2 3.65Å; Y278-Y297 HydrophobicContact CD1-CE2 3.65Å; Y278-Y297 HydrophobicContact CE1-CD2 4.34Å; Y278-Y297 AromaticContact CE1-CE2 3.97Å; Y278-Y297 HydrophobicContact CE1-CE2 3.97Å; Y278-Y297 HydrophobicContact CG-CD2 4.4Å; Y278-Y297 PolarHBondContact O-N 2.95Å; Y278-Y297 VanDerWaalsContact O-N 3.08Å
279V94.8Very high90.8Very high0 Ų041.6 Ų41.60%023%0.228CC..EExtended strand (participates in β ladder)trans-76.8106.1172.5-172.80000109S234 S235 A251 I256 H275 R277 L282 L295S234-V279 VanDerWaalsContact CB-O 3.29Å; S234-V279 WeakPolarHBondContact CB-O 3.46Å; S234-V279 PolarHBondContact OG-O 2.85Å; S235-V279 PolarHBondContact OG-O 3.36Å; A251-V279 PolarHBondContact O-N 3.49Å; I256-V279 HydrophobicContact CG1-CG2 4.22Å; H275-V279 HydrophobicContact CB-CG2 4.33Å; R277-V279 PolarHBondContact O-N 3.22Å; V279-L282 HydrophobicContact CG1-CD2 3.85Å; V279-L282 HydrophobicContact CG1-CG 3.95Å; V279-L295 CarbonylContact C-O 3.53Å; V279-L295 WeakPolarHBondContact CA-O 3.33Å
280S93.8Very high90.9Very high47 Ų4740.5 Ų40.533%0.32922%0.223SC..EExtended strand (participates in β ladder)trans-78.8-35.9-174.864.80000113.2Y278 L295Y278-S280 VanDerWaalsContact CE1-CA 3.49Å; Y278-S280 PolarHBondContact O-N 3.01Å; S280-L295 PolarHBondContact N-O 3.34Å; S280-L295 PolarHBondContact OG-O 2.77Å
281C93.6Very high91Very high60 Ų6042.6 Ų42.641%0.40523%0.233SC..EExtended strand (participates in β ladder)trans-146.7143.9-177.5-164.20000110.9L295C281-L295 HydrophobicContact CB-CB 4.14Å; C281-L295 HydrophobicContact CB-CD1 4.1Å; C281-L295 PolarHBondContact N-O 2.55Å; C281-L295 PolarHBondContact O-N 2.95Å
282L95.8Very high91.2Very high11 Ų1142.4 Ų42.46%0.05823%0.232CC..EExtended strand (participates in β ladder)trans-127.4137.7170.3-72.8177.8000108.5A237 A248 A249 I256 V279 L292 L293 S294A237-L282 HydrophobicContact CB-CB 3.84Å; A248-L282 HydrophobicContact CB-CD1 4.27Å; A249-L282 VanDerWaalsContact C-CD1 3.49Å; I256-L282 HydrophobicContact CD1-CD2 3.95Å; I256-L282 HydrophobicContact CG1-CD2 4.37Å; I256-L282 HydrophobicContact CG2-CD1 4.39Å; V279-L282 HydrophobicContact CG1-CD2 3.85Å; V279-L282 HydrophobicContact CG1-CG 3.95Å; L282-L292 HydrophobicContact CB-CD1 4.39Å; L282-L292 HydrophobicContact CD2-CD1 4.37Å; L282-L292 HydrophobicContact CD2-CD2 4.34Å; L282-L292 HydrophobicContact CD2-CG 4.38Å; L282-L293 WeakPolarHBondContact CA-O 3.19Å; L282-S294 VanDerWaalsContact CD2-CB 3.47Å
283S95.1Very high91.3Very high64 Ų6445.3 Ų45.345%0.44825%0.248SC..EExtended strand (participates in β ladder)trans-152.4132.3177.2-162.30000111.4L293S283-L293 PolarHBondContact N-O 3.24Å; S283-L293 PolarHBondContact O-N 3.12Å
284F94.3Very high91.5Very high17 Ų1740.3 Ų40.38%0.07523%0.228CC..EExtended strand (participates in β ladder)trans-77.9139.1169.6-67.7-84.1000109.8W190 A237 L238 H239 A248 H291 L292 F306W190-F284 HydrophobicContact CE3-CE1 4.37Å; W190-F284 HydrophobicContact CH2-CZ 4.47Å; W190-F284 AromaticContact CZ3-CE1 3.85Å; W190-F284 HydrophobicContact CZ3-CE1 3.85Å; W190-F284 AromaticContact CZ3-CZ 3.72Å; W190-F284 HydrophobicContact CZ3-CZ 3.72Å; A237-F284 HydrophobicContact CB-CD2 3.8Å; A237-F284 HydrophobicContact CB-CE2 3.64Å; L238-F284 VanDerWaalsContact C-CE2 3.46Å; L238-F284 VanDerWaalsContact O-CD2 3.28Å; L238-F284 WeakPolarHBondContact O-CD2 3.33Å; H239-F284 HydrophobicContact CB-CD2 4.39Å; H239-F284 HydrophobicContact CB-CE1 4.27Å; H239-F284 HydrophobicContact CB-CE2 4.06Å; H239-F284 HydrophobicContact CB-CZ 3.99Å; H239-F284 AromaticContact CD2-CD1 3.74Å; H239-F284 AromaticContact CD2-CE1 3.77Å; A248-F284 HydrophobicContact CB-CE2 4.16Å; A248-F284 HydrophobicContact CB-CZ 3.83Å; F284-H291 WeakPolarHBondContact CA-O 3.34Å; F284-L292 HydrophobicContact CD1-CB 4.32Å; F284-L292 HydrophobicContact CD1-CD1 4.08Å; F284-L292 HydrophobicContact CD2-CD1 4.29Å; F284-L292 HydrophobicContact CE1-CB 4.23Å; F284-L292 HydrophobicContact CE1-CD1 3.94Å; F284-L292 HydrophobicContact CE2-CD1 4.15Å; F284-L292 HydrophobicContact CG-CD1 4.26Å; F284-L292 HydrophobicContact CZ-CD1 3.97Å; F284-F306 HydrophobicContact CD1-CE2 4.19Å; F284-F306 AromaticContact CE1-CE2 3.65Å; F284-F306 HydrophobicContact CE1-CE2 3.65Å; F284-F306 AromaticContact CE1-CZ 3.83Å; F284-F306 HydrophobicContact CE1-CZ 3.83Å
285S90.3Very high91.8Very high18 Ų1844 Ų4413%0.12625%0.247CC..  trans-67.5129.3176.3172.70000110.4T287 N288 H291S285-T287 PolarHBondContact O-N 3.25Å; S285-T287 PolarHBondContact OG-N 3.31Å; S285-T287 PolarHBondContact OG-OG1 3.36Å; S285-N288 WeakPolarHBondContact CB-O 3.43Å; S285-N288 CarbonylContact O-C 3.26Å; S285-N288 VanDerWaalsContact O-C 3.26Å; S285-N288 PolarHBondContact OG-N 3.3Å; S285-H291 PolarHBondContact N-O 2.83Å
286P87Confident91.9Very high125 Ų12544.6 Ų44.681%0.81225%0.251SS*.SBendtrans-70.8-20.9177.629-34.9000112.6
287T86Confident91.9Very high129 Ų12952.2 Ų52.279%0.79128%0.28SS*.SBendtrans-89.4-32.2178.958.40000112.2S285S285-T287 PolarHBondContact O-N 3.25Å; S285-T287 PolarHBondContact OG-N 3.31Å; S285-T287 PolarHBondContact OG-OG1 3.36Å
288N87.3Confident91.8Very high54 Ų5448.5 Ų48.529%0.28927%0.267SS..  trans-135.597.6174-173.2-2.5000109.8S285 A290 H291S285-N288 WeakPolarHBondContact CB-O 3.43Å; S285-N288 CarbonylContact O-C 3.26Å; S285-N288 VanDerWaalsContact O-C 3.26Å; S285-N288 PolarHBondContact OG-N 3.3Å; N288-A290 PolarHBondContact O-N 2.8Å; N288-A290 WeakPolarHBondContact OD1-CB 3.12Å; N288-A290 PolarHBondContact OD1-N 2.8Å; N288-A290 VanDerWaalsContact OD1-N 3.1Å; N288-H291 PolarHBondContact ND2-CD2 2.93Å; N288-H291 PolarHBondContact ND2-NE2 3.46Å; N288-H291 PolarHBondContact O-N 3.3Å
289P86.1Confident91.7Very high14 Ų1445.9 Ų45.99%0.09127%0.265CS..THydrogen-bonded Turntrans-64.2-14.1-178.7-19.130.1000114.3H239 P240 H291H239-P289 PolarHBondContact CD2-O 3.11Å; H239-P289 WeakPolarHBondContact NE2-CB 2.98Å; H239-P289 PolarHBondContact NE2-O 3.45Å; P240-P289 HydrophobicContact CG-CB 3.72Å; P240-P289 HydrophobicContact CG-CG 4.05Å; P289-H291 PolarHBondContact O-N 2.81Å
290A89.4Confident91.5Very high4 Ų446.5 Ų46.53%0.03327%0.268CS..THydrogen-bonded Turntrans-73.1-9.317300000113.3S194 N288 F306S194-A290 VanDerWaalsContact CB-N 3.27Å; N288-A290 PolarHBondContact O-N 2.8Å; N288-A290 WeakPolarHBondContact OD1-CB 3.12Å; N288-A290 PolarHBondContact OD1-N 2.8Å; N288-A290 VanDerWaalsContact OD1-N 3.1Å; A290-F306 WeakPolarHBondContact O-CD2 3.44Å; A290-F306 PolarHBondContact O-N 3.14Å; A290-F306 VanDerWaalsContact O-N 3.13Å
291H92.7Very high91.4Very high55 Ų5546.5 Ų46.526%0.25526%0.264SS..EExtended strand (participates in β ladder)trans-103.2125.8179.8-68.8-165.9000110.6F284 S285 N288 P289 G304 D305F284-H291 WeakPolarHBondContact CA-O 3.34Å; S285-H291 PolarHBondContact N-O 2.83Å; N288-H291 PolarHBondContact ND2-CD2 2.93Å; N288-H291 PolarHBondContact ND2-NE2 3.46Å; N288-H291 PolarHBondContact O-N 3.3Å; P289-H291 PolarHBondContact O-N 2.81Å; H291-G304 CarbonylContact C-O 3.6Å; H291-G304 WeakPolarHBondContact CA-O 3.17Å; H291-D305 IonicContact CD2-OD1 3.97Å; H291-D305 IonicContact NE2-OD1 3.8Å
292L94.7Very high91.4Very high1 Ų143.8 Ų43.81%0.00525%0.245CC..EExtended strand (participates in β ladder)trans-108.5116.4172.2176.867.5000109.6A237 A248 I256 L258 L282 F284 C303 G304 F306A237-L292 HydrophobicContact CB-CD1 4.46Å; A248-L292 HydrophobicContact CB-CD1 4.13Å; A248-L292 HydrophobicContact CB-CD2 3.85Å; I256-L292 HydrophobicContact CG2-CD2 4.1Å; L258-L292 HydrophobicContact CD2-CD2 4.31Å; L282-L292 HydrophobicContact CB-CD1 4.39Å; L282-L292 HydrophobicContact CD2-CD1 4.37Å; L282-L292 HydrophobicContact CD2-CD2 4.34Å; L282-L292 HydrophobicContact CD2-CG 4.38Å; F284-L292 HydrophobicContact CD1-CB 4.32Å; F284-L292 HydrophobicContact CD1-CD1 4.08Å; F284-L292 HydrophobicContact CD2-CD1 4.29Å; F284-L292 HydrophobicContact CE1-CB 4.23Å; F284-L292 HydrophobicContact CE1-CD1 3.94Å; F284-L292 HydrophobicContact CE2-CD1 4.15Å; F284-L292 HydrophobicContact CG-CD1 4.26Å; F284-L292 HydrophobicContact CZ-CD1 3.97Å; L292-C303 CarbonylContact O-C 3.48Å; L292-C303 WeakPolarHBondContact O-CA 3.35Å; L292-G304 PolarHBondContact N-O 3.17Å; L292-G304 PolarHBondContact O-N 3.18Å; L292-F306 HydrophobicContact CB-CE1 4.49Å; L292-F306 HydrophobicContact CB-CE2 4.02Å; L292-F306 HydrophobicContact CB-CZ 3.6Å; L292-F306 HydrophobicContact CD2-CZ 4.05Å; L292-F306 HydrophobicContact CG-CZ 4.42Å
293L94.8Very high91.3Very high62 Ų6243.8 Ų43.833%0.32525%0.247SC..EExtended strand (participates in β ladder)trans-86.5131.2172.7-62.8174.3000109.8L282 S283 L301 R302 C303L282-L293 WeakPolarHBondContact CA-O 3.19Å; S283-L293 PolarHBondContact N-O 3.24Å; S283-L293 PolarHBondContact O-N 3.12Å; L293-L301 HydrophobicContact CB-CD1 4.48Å; L293-R302 WeakPolarHBondContact CA-O 3.25Å; L293-C303 HydrophobicContact CD2-CB 3.81Å
294S95.1Very high91.2Very high0 Ų040.8 Ų40.80%023%0.225CC..EExtended strand (participates in β ladder)trans-126.2127.7176.860.60000111.3H275 L282 L301 R302H275-S294 VanDerWaalsContact NE2-CB 3.33Å; H275-S294 WeakPolarHBondContact NE2-CB 3.32Å; H275-S294 PolarHBondContact NE2-OG 2.96Å; L282-S294 VanDerWaalsContact CD2-CB 3.47Å; S294-L301 WeakPolarHBondContact O-CA 3.32Å; S294-R302 PolarHBondContact N-O 3.26Å; S294-R302 PolarHBondContact O-N 3.14Å; S294-R302 PolarHBondContact OG-O 3.11Å
295L94.3Very high91.1Very high77 Ų7741.3 Ų41.340%0.40323%0.229SC..EExtended strand (participates in β ladder)trans-110.6136.4177.4-74.8169.8000109.5V279 S280 C281 L301V279-L295 CarbonylContact C-O 3.53Å; V279-L295 WeakPolarHBondContact CA-O 3.33Å; S280-L295 PolarHBondContact N-O 3.34Å; S280-L295 PolarHBondContact OG-O 2.77Å; C281-L295 HydrophobicContact CB-CB 4.14Å; C281-L295 HydrophobicContact CB-CD1 4.1Å; C281-L295 PolarHBondContact N-O 2.55Å; C281-L295 PolarHBondContact O-N 2.95Å; L295-L301 HydrophobicContact CD2-CB 3.83Å; L295-L301 HydrophobicContact CD2-CD1 3.34Å; L295-L301 HydrophobicContact CD2-CG 4.09Å; L295-L301 HydrophobicContact CG-CD1 3.72Å
296S93.4Very high91.1Very high12 Ų1240.6 Ų40.68%0.08422%0.223CC..EExtended strand (participates in β ladder)trans-134.5158.6-178.2170.10000112.3H275 R277 Y278 D298 G299 T300H275-S296 WeakPolarHBondContact ND1-CB 3.49Å; R277-S296 PolarHBondContact O-OG 3.26Å; Y278-S296 WeakPolarHBondContact O-CA 3.35Å; Y278-S296 PolarHBondContact O-OG 3.12Å; S296-D298 WeakPolarHBondContact CB-OD1 3.26Å; S296-D298 PolarHBondContact O-N 3.19Å; S296-D298 PolarHBondContact OG-N 3.42Å; S296-D298 PolarHBondContact OG-OD1 3.25Å; S296-D298 VanDerWaalsContact OG-OD1 3.06Å; S296-D298 PolarHBondContact OG-OD2 3.13Å; S296-D298 VanDerWaalsContact OG-OD2 3.07Å; S296-G299 PolarHBondContact O-N 3.44Å; S296-T300 PolarHBondContact N-O 2.72Å
297Y90.8Very high91.2Very high171 Ų17138.7 Ų38.767%0.67121%0.213SC*.THydrogen-bonded Turntrans-74.1-1.8172.7-86.3-105.3000113.4Y278 G299Y278-Y297 AromaticContact CD1-CD2 3.56Å; Y278-Y297 HydrophobicContact CD1-CD2 3.56Å; Y278-Y297 AromaticContact CD1-CE2 3.65Å; Y278-Y297 HydrophobicContact CD1-CE2 3.65Å; Y278-Y297 HydrophobicContact CE1-CD2 4.34Å; Y278-Y297 AromaticContact CE1-CE2 3.97Å; Y278-Y297 HydrophobicContact CE1-CE2 3.97Å; Y278-Y297 HydrophobicContact CG-CD2 4.4Å; Y278-Y297 PolarHBondContact O-N 2.95Å; Y278-Y297 VanDerWaalsContact O-N 3.08Å; Y297-G299 PolarHBondContact O-N 2.86Å
298D87.2Confident91.2Very high17 Ų1735.6 Ų35.69%0.09120%0.197CC..THydrogen-bonded Turntrans-73-0.916761.514.3000112.5L163 H275 S276 R277 S296 T300 R302L163-D298 HydrophobicContact CD2-CB 3.74Å; H275-D298 VanDerWaalsContact CB-OD2 3.26Å; H275-D298 WeakPolarHBondContact CB-OD2 3.02Å; H275-D298 IonicContact CG-OD2 2.67Å; H275-D298 IonicContact ND1-OD1 2.91Å; H275-D298 IonicContact ND1-OD2 3.11Å; H275-D298 PolarHBondContact ND1-OD2 3.15Å; S276-D298 PolarHBondContact N-OD2 3.37Å; R277-D298 HydrophobicContact CB-CB 4.06Å; R277-D298 HydrophobicContact CG-CB 4.08Å; S296-D298 WeakPolarHBondContact CB-OD1 3.26Å; S296-D298 PolarHBondContact O-N 3.19Å; S296-D298 PolarHBondContact OG-N 3.42Å; S296-D298 PolarHBondContact OG-OD1 3.25Å; S296-D298 VanDerWaalsContact OG-OD1 3.06Å; S296-D298 PolarHBondContact OG-OD2 3.13Å; S296-D298 VanDerWaalsContact OG-OD2 3.07Å; D298-T300 VanDerWaalsContact C-N 3.29Å; D298-T300 WeakPolarHBondContact OD1-CB 3.07Å; D298-T300 PolarHBondContact OD1-N 3.1Å; D298-T300 PolarHBondContact OD1-OG1 3.42Å; D298-T300 PolarHBondContact OD2-OG1 3.3Å; D298-R302 IonicContact OD2-NH1 2.98Å
299G88.6Confident91.3Very high26 Ų2634.5 Ų34.527%0.26820%0.196SC..SBendtrans80.79.4-179.200000113S296 Y297 S316 D317S296-G299 PolarHBondContact O-N 3.44Å; Y297-G299 PolarHBondContact O-N 2.86Å; G299-S316 CarbonylContact O-C 3.56Å; G299-S316 VanDerWaalsContact O-CA 3.27Å; G299-S316 WeakPolarHBondContact O-CA 3.49Å; G299-D317 PolarHBondContact O-N 2.85Å
300T90.6Very high91.6Very high12 Ų1235.5 Ų35.57%0.07420%0.201CC..EExtended strand (participates in β ladder)trans-108.8140.9-178.869.10000112.1H275 S296 D298 R302H275-T300 PolarHBondContact CE1-OG1 3.14Å; H275-T300 PolarHBondContact ND1-OG1 2.88Å; H275-T300 VanDerWaalsContact ND1-OG1 3.14Å; S296-T300 PolarHBondContact N-O 2.72Å; D298-T300 VanDerWaalsContact C-N 3.29Å; D298-T300 WeakPolarHBondContact OD1-CB 3.07Å; D298-T300 PolarHBondContact OD1-N 3.1Å; D298-T300 PolarHBondContact OD1-OG1 3.42Å; D298-T300 PolarHBondContact OD2-OG1 3.3Å; T300-R302 PolarHBondContact OG1-NH1 2.98Å
301L92.9Very high91.7Very high47 Ų4735.3 Ų35.325%0.24620%0.2CC..EExtended strand (participates in β ladder)trans-104.8117.7164.917269.1000107.5L293 S294 L295 V314 G315L293-L301 HydrophobicContact CB-CD1 4.48Å; S294-L301 WeakPolarHBondContact O-CA 3.32Å; L295-L301 HydrophobicContact CD2-CB 3.83Å; L295-L301 HydrophobicContact CD2-CD1 3.34Å; L295-L301 HydrophobicContact CD2-CG 4.09Å; L295-L301 HydrophobicContact CG-CD1 3.72Å; L301-V314 HydrophobicContact CD2-CB 4.16Å; L301-V314 HydrophobicContact CD2-CG1 4.2Å; L301-V314 HydrophobicContact CG-CB 4.31Å; L301-V314 PolarHBondContact O-N 3.36Å; L301-G315 PolarHBondContact N-O 2.83Å; L301-G315 PolarHBondContact O-N 3.4Å
302R92.9Very high91.6Very high3 Ų338.3 Ų38.31%0.01121%0.214CC..EExtended strand (participates in β ladder)trans-110.4147.7173.6-70.3-174.1174.288.614.9111.3A274 H275 L293 S294 D298 T300 E312 E313A274-R302 WeakPolarHBondContact O-CD 3.46Å; A274-R302 PolarHBondContact O-NE 2.69Å; A274-R302 PolarHBondContact O-NH1 2.66Å; H275-R302 PolarHBondContact ND1-NH1 2.67Å; H275-R302 VanDerWaalsContact ND1-NH1 3.19Å; L293-R302 WeakPolarHBondContact CA-O 3.25Å; S294-R302 PolarHBondContact N-O 3.26Å; S294-R302 PolarHBondContact O-N 3.14Å; S294-R302 PolarHBondContact OG-O 3.11Å; D298-R302 IonicContact OD2-NH1 2.98Å; T300-R302 PolarHBondContact OG1-NH1 2.98Å; R302-E312 CarbonylContact C-O 3.53Å; R302-E312 WeakPolarHBondContact CA-O 2.94Å; R302-E313 HydrophobicContact CG-CB 4.47Å; R302-E313 IonicContact NH2-OE2 3.5Å
303C93.9Very high91.5Very high12 Ų1240.2 Ų40.28%0.08122%0.223CC..EExtended strand (participates in β ladder)trans-115.6109.2172.4-178.50000108.3L292 L293 D305 F311 E312 V314L292-C303 CarbonylContact O-C 3.48Å; L292-C303 WeakPolarHBondContact O-CA 3.35Å; L293-C303 HydrophobicContact CD2-CB 3.81Å; C303-D305 PolarHBondContact O-N 3.22Å; C303-F311 WeakPolarHBondContact O-CA 3.31Å; C303-E312 PolarHBondContact N-O 3.17Å; C303-E312 PolarHBondContact O-N 2.9Å; C303-V314 HydrophobicContact CB-CG2 3.45Å; C303-V314 VanDerWaalsContact CB-CG2 3.45Å
304G93.4Very high91.2Very high0 Ų041.6 Ų41.60%023%0.233CC..EExtended strand (participates in β ladder)trans-79.4112.8170.100000110.3H291 L292 V310 F311H291-G304 CarbonylContact C-O 3.6Å; H291-G304 WeakPolarHBondContact CA-O 3.17Å; L292-G304 PolarHBondContact N-O 3.17Å; L292-G304 PolarHBondContact O-N 3.18Å; G304-V310 WeakPolarHBondContact CA-O 2.93Å; G304-F311 VanDerWaalsContact CA-CD1 3.44Å
305D92.4Very high90.6Very high29 Ų2943 Ų4316%0.15525%0.248CC..EExtended strand (participates in β ladder)trans-96.1113.6169.5171.619000109.4H291 C303 S307 S308 A309 V310H291-D305 IonicContact CD2-OD1 3.97Å; H291-D305 IonicContact NE2-OD1 3.8Å; C303-D305 PolarHBondContact O-N 3.22Å; D305-S307 PolarHBondContact O-N 3.05Å; D305-S307 WeakPolarHBondContact OD1-CB 3.46Å; D305-S307 PolarHBondContact OD1-N 2.93Å; D305-S307 PolarHBondContact OD1-OG 2.67Å; D305-S307 PolarHBondContact OD2-OG 3.33Å; D305-S308 WeakPolarHBondContact CB-OG 3.37Å; D305-S308 WeakPolarHBondContact OD2-CB 3.34Å; D305-S308 PolarHBondContact OD2-N 3.02Å; D305-S308 PolarHBondContact OD2-OG 3.1Å; D305-A309 WeakPolarHBondContact O-CA 3.23Å; D305-A309 PolarHBondContact O-N 2.99Å; D305-V310 PolarHBondContact N-O 2.85Å; D305-V310 PolarHBondContact O-N 3.11Å
306F90.2Very high90.1Very high2 Ų241.8 Ų41.81%0.00925%0.246CC..THydrogen-bonded Turntrans-71.3-17.8-179.8-53.8-60.8000113M171 L187 W190 L258 F284 A290 L292M171-F306 HydrophobicContact CE-CD1 3.77Å; M171-F306 HydrophobicContact CE-CE1 3.76Å; M171-F306 HydrophobicContact SD-CD1 4.11Å; L187-F306 HydrophobicContact CD2-CB 4.3Å; L187-F306 HydrophobicContact CD2-CD1 3.8Å; L187-F306 HydrophobicContact CD2-CG 4.47Å; W190-F306 HydrophobicContact CB-CB 4.1Å; W190-F306 HydrophobicContact CB-CD2 4.24Å; W190-F306 HydrophobicContact CB-CG 4.1Å; W190-F306 HydrophobicContact CE3-CD1 4.3Å; W190-F306 AromaticContact CE3-CD2 4Å; W190-F306 HydrophobicContact CE3-CD2 4Å; W190-F306 AromaticContact CE3-CE1 3.93Å; W190-F306 HydrophobicContact CE3-CE1 3.93Å; W190-F306 AromaticContact CE3-CE2 3.67Å; W190-F306 HydrophobicContact CE3-CE2 3.67Å; W190-F306 HydrophobicContact CE3-CG 4.33Å; W190-F306 AromaticContact CE3-CZ 3.59Å; W190-F306 HydrophobicContact CE3-CZ 3.59Å; W190-F306 HydrophobicContact CZ3-CE1 4.25Å; W190-F306 HydrophobicContact CZ3-CE2 4.15Å; W190-F306 AromaticContact CZ3-CZ 3.76Å; W190-F306 HydrophobicContact CZ3-CZ 3.76Å; L258-F306 HydrophobicContact CD1-CD1 4.13Å; L258-F306 HydrophobicContact CD1-CE1 3.6Å; L258-F306 HydrophobicContact CD2-CE1 4.12Å; L258-F306 HydrophobicContact CD2-CZ 4.36Å; F284-F306 HydrophobicContact CD1-CE2 4.19Å; F284-F306 AromaticContact CE1-CE2 3.65Å; F284-F306 HydrophobicContact CE1-CE2 3.65Å; F284-F306 AromaticContact CE1-CZ 3.83Å; F284-F306 HydrophobicContact CE1-CZ 3.83Å; A290-F306 WeakPolarHBondContact O-CD2 3.44Å; A290-F306 PolarHBondContact O-N 3.14Å; A290-F306 VanDerWaalsContact O-N 3.13Å; L292-F306 HydrophobicContact CB-CE1 4.49Å; L292-F306 HydrophobicContact CB-CE2 4.02Å; L292-F306 HydrophobicContact CB-CZ 3.6Å; L292-F306 HydrophobicContact CD2-CZ 4.05Å; L292-F306 HydrophobicContact CG-CZ 4.42Å
307S88.3Confident89.3Confident85 Ų8548.3 Ų48.359%0.59428%0.28SS*.THydrogen-bonded Turntrans-78-4017972.20000112.2D305D305-S307 PolarHBondContact O-N 3.05Å; D305-S307 WeakPolarHBondContact OD1-CB 3.46Å; D305-S307 PolarHBondContact OD1-N 2.93Å; D305-S307 PolarHBondContact OD1-OG 2.67Å; D305-S307 PolarHBondContact OD2-OG 3.33Å
308S86.6Confident87.9Confident65 Ų6548 Ų4846%0.45529%0.285SS..THydrogen-bonded Turntrans-88.6-14.3173.757.20000113.3D305D305-S308 WeakPolarHBondContact CB-OG 3.37Å; D305-S308 WeakPolarHBondContact OD2-CB 3.34Å; D305-S308 PolarHBondContact OD2-N 3.02Å; D305-S308 PolarHBondContact OD2-OG 3.1Å
309A89.6Confident86.1Confident31 Ų3156.6 Ų56.626%0.25632%0.324SS..THydrogen-bonded Turntrans61.340.9-175.900000112.9M171 L187 D305M171-A309 HydrophobicContact CB-CB 4.41Å; M171-A309 WeakPolarHBondContact CB-O 3.32Å; M171-A309 VanDerWaalsContact CG-O 3.31Å; M171-A309 WeakPolarHBondContact CG-O 3.5Å; M171-A309 PolarHBondContact N-O 3.34Å; L187-A309 HydrophobicContact CD1-CB 3.41Å; L187-A309 VanDerWaalsContact CD1-CB 3.41Å; D305-A309 WeakPolarHBondContact O-CA 3.23Å; D305-A309 PolarHBondContact O-N 2.99Å
310V91.3Very high83.5Confident34 Ų3463.6 Ų63.621%0.20638%0.38CS..EExtended strand (participates in β ladder)trans-135139.7-175.5177.60000111.1P168 L169 G304 D305P168-V310 HydrophobicContact CB-CG1 3.41Å; P168-V310 VanDerWaalsContact CB-CG1 3.41Å; L169-V310 CarbonylContact O-C 3.52Å; L169-V310 WeakPolarHBondContact O-CA 3.46Å; G304-V310 WeakPolarHBondContact CA-O 2.93Å; D305-V310 PolarHBondContact N-O 2.85Å; D305-V310 PolarHBondContact O-N 3.11Å
311F91.6Very high83.2Confident1 Ų166.2 Ų66.20%0.00440%0.395CS..EExtended strand (participates in β ladder)trans-91.4104.9164.9-65.1-74.4000109.7L169 M171 I256 F272 A274 C303 G304L169-F311 HydrophobicContact CB-CB 4.26Å; L169-F311 PolarHBondContact N-O 2.63Å; L169-F311 PolarHBondContact O-N 2.81Å; M171-F311 HydrophobicContact CB-CE2 4.25Å; M171-F311 HydrophobicContact CE-CE1 4Å; M171-F311 HydrophobicContact CE-CE2 3.9Å; M171-F311 HydrophobicContact CE-CZ 3.45Å; M171-F311 VanDerWaalsContact CE-CZ 3.45Å; M171-F311 HydrophobicContact CG-CD2 3.75Å; M171-F311 HydrophobicContact CG-CE2 3.52Å; M171-F311 HydrophobicContact CG-CG 4.46Å; M171-F311 HydrophobicContact CG-CZ 4.05Å; M171-F311 HydrophobicContact SD-CE2 4.5Å; M171-F311 HydrophobicContact SD-CZ 4.47Å; I256-F311 HydrophobicContact CD1-CE1 4.09Å; I256-F311 HydrophobicContact CD1-CZ 4.45Å; F272-F311 HydrophobicContact CB-CE2 3.67Å; F272-F311 HydrophobicContact CB-CZ 3.92Å; F272-F311 HydrophobicContact CD1-CE2 4.48Å; F272-F311 HydrophobicContact CD2-CZ 4.41Å; F272-F311 HydrophobicContact CG-CE2 4.03Å; F272-F311 HydrophobicContact CG-CZ 4.18Å; A274-F311 HydrophobicContact CB-CD1 4.06Å; A274-F311 HydrophobicContact CB-CD2 4.09Å; A274-F311 HydrophobicContact CB-CE1 4.03Å; A274-F311 HydrophobicContact CB-CE2 4.04Å; A274-F311 HydrophobicContact CB-CG 4.09Å; A274-F311 HydrophobicContact CB-CZ 4.01Å; C303-F311 WeakPolarHBondContact O-CA 3.31Å; G304-F311 VanDerWaalsContact CA-CD1 3.44Å
312E91.6Very high82.7Confident117 Ų11767.2 Ų67.255%0.54740%0.403SS..EExtended strand (participates in β ladder)trans-87.3134.4175.6-171.4176.1-173.200110.6R302 C303 V314R302-E312 CarbonylContact C-O 3.53Å; R302-E312 WeakPolarHBondContact CA-O 2.94Å; C303-E312 PolarHBondContact N-O 3.17Å; C303-E312 PolarHBondContact O-N 2.9Å; E312-V314 PolarHBondContact O-N 3.27Å
313E91.1Very high82.1Confident42 Ų4270.8 Ų70.820%0.19643%0.425CS..EExtended strand (participates in β ladder)trans-76.8114.1170.3-173179.1146.800110P166 R302 S316P166-E313 WeakPolarHBondContact CA-OE2 3.43Å; R302-E313 HydrophobicContact CG-CB 4.47Å; R302-E313 IonicContact NH2-OE2 3.5Å; E313-S316 WeakPolarHBondContact OE1-CB 3.37Å; E313-S316 PolarHBondContact OE1-OG 3.13Å
314V89Confident81.4Confident90 Ų9074.2 Ų74.255%0.54545%0.445SS..EExtended strand (participates in β ladder)trans-94.6-28.3-176.9179.70000111.6L301 C303 E312L301-V314 HydrophobicContact CD2-CB 4.16Å; L301-V314 HydrophobicContact CD2-CG1 4.2Å; L301-V314 HydrophobicContact CG-CB 4.31Å; L301-V314 PolarHBondContact O-N 3.36Å; C303-V314 HydrophobicContact CB-CG2 3.45Å; C303-V314 VanDerWaalsContact CB-CG2 3.45Å; E312-V314 PolarHBondContact O-N 3.27Å
315G84Confident80.6Confident31 Ų3178.9 Ų78.932%0.3247%0.473SS..EExtended strand (participates in β ladder)trans-163.3146.9176.300000111.6L301L301-G315 PolarHBondContact N-O 2.83Å; L301-G315 PolarHBondContact O-N 3.4Å
316S83.6Confident79.9Confident51 Ų5182.2 Ų82.236%0.35749%0.494SS..EExtended strand (participates in β ladder)trans-131.6139172.232.40000110.1G299 E313 Q318G299-S316 CarbonylContact O-C 3.56Å; G299-S316 VanDerWaalsContact O-CA 3.27Å; G299-S316 WeakPolarHBondContact O-CA 3.49Å; E313-S316 WeakPolarHBondContact OE1-CB 3.37Å; E313-S316 PolarHBondContact OE1-OG 3.13Å; S316-Q318 PolarHBondContact O-N 2.87Å
317D75.1Confident79.1Confident149 Ų14987.9 Ų87.980%0.79753%0.528SS*.  trans-75.365.2167.1-83.6-19.1000108.6G299 E319G299-D317 PolarHBondContact O-N 2.85Å; D317-E319 PolarHBondContact O-N 2.87Å
318Q62.3Low78.4Confident164 Ų16488.2 Ų88.277%0.76652%0.523SS*.  trans-82.295.2157.4-85-179.6-0.800106.9S316 A320S316-Q318 PolarHBondContact O-N 2.87Å; Q318-A320 PolarHBondContact O-N 3.08Å
319E50Low77.7Confident198 Ų19890.1 Ų90.193%0.92553%0.529SS*.  trans-52122.8165-79.9-176.8147.600109D317D317-E319 PolarHBondContact O-N 2.87Å
320A33.8Very low76.7Confident173 Ų17395.5 Ų95.5100%1.4355%0.554SS**  trans-80.90168.500000111.3Q318Q318-A320 PolarHBondContact O-N 3.08Å

Retrieved 320 of 320 residues in 106.8 ms (Link to these results)