A0A024QZC1_HUMAN Loading...

CD2 antigen cytoplasmic tail-binding protein 2

Involved in pre-mRNA splicing as component of the U5 snRNP complex that is involved in spliceosome assembly.

AlphaFold DB (O95400), UniProt , Accession A0A024QZC1, Species HUMAN (Homo sapiens, Human), Gene CD2BP2, Length 341 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
1M43.7Very low49.3Very low233 Ų233165.3 Ų165.3100%1.14884%0.844SS**  0117.40-63-91.8-172.700107.6
2P46.1Very low48.2Very low130 Ų130157.1 Ų157.184%0.84483%0.831SS**  trans-73.7134.7179.9-521.6000110.4R4P2-R4 PolarHBondContact O-N 2.82Å
3K50.8Low47.6Very low211 Ų211156.7 Ų156.792%0.91783%0.829SS**  trans-65.5121.5-179.1-61.1177.1178.6179.70109.7K5K3-K5 PolarHBondContact O-N 3.29Å
4R57.2Low46.9Very low242 Ų242158.1 Ų158.191%0.91383%0.829SS**  trans-75.5116172.6-67.6173.1112.91731108P2P2-R4 PolarHBondContact O-N 2.82Å
5K58.3Low46.3Very low197 Ų197159.1 Ų159.186%0.85783%0.828SS**  trans-88.6111.6175.8-153.4172.4-175.8179.20106.9K3K3-K5 PolarHBondContact O-N 3.29Å
6V59.8Low46.1Very low111 Ų111158.7 Ų158.767%0.67383%0.827SS**PPolyproline II helixtrans-85.9117.4176.3176.20000107.3F8V6-F8 HydrophobicContact CG1-CD2 4.4Å; V6-F8 HydrophobicContact CG1-CE2 3.92Å; V6-F8 HydrophobicContact CG1-CZ 4.08Å
7T48.3Very low45.8Very low123 Ų123158.5 Ų158.576%0.75582%0.821SS**PPolyproline II helixtrans-100121.8174.346.60000108.4
8F51.2Low45.6Very low193 Ų193157.6 Ų157.685%0.84682%0.818SS**PPolyproline II helixtrans-83.6118.8171.5-68.5-89000108.5V6 G10V6-F8 HydrophobicContact CG1-CD2 4.4Å; V6-F8 HydrophobicContact CG1-CE2 3.92Å; V6-F8 HydrophobicContact CG1-CZ 4.08Å; F8-G10 PolarHBondContact O-N 2.88Å
9Q44.3Very low45.4Very low183 Ų183157.9 Ų157.986%0.85582%0.815SS**PPolyproline II helixtrans-74.4120175.4-177.676.334.500107.7V11Q9-V11 PolarHBondContact O-N 3.03Å
10G41.4Very low45.1Very low68 Ų68157.5 Ų157.570%0.70181%0.812SS**PPolyproline II helixtrans-59.4120.8176.300000111.5F8F8-G10 PolarHBondContact O-N 2.88Å
11V41.1Very low44.7Very low127 Ų127157.2 Ų157.277%0.7781%0.811SS**  trans-86.3110.1152.7143.10000104.8Q9Q9-V11 PolarHBondContact O-N 3.03Å
12G35.8Very low44.6Very low67 Ų67152 Ų15269%0.69179%0.791SS**  trans-78.6124.3160.800000107.2
13D40.3Very low44.1Very low152 Ų152150.6 Ų150.681%0.81378%0.782SS**  trans-123.8111.6149.4-92.7-47.1000104.8E15D13-E15 PolarHBondContact O-N 3.39Å
14E38.3Very low43.4Very low177 Ų177151 Ų15183%0.82778%0.784SS**  trans-74.2116.1-179.7-64.8174.7162.900107.9D16E14-D16 PolarHBondContact O-N 2.8Å; E14-D16 VanDerWaalsContact O-N 3.11Å
15E38.6Very low42.5Very low173 Ų173148.6 Ų148.681%0.80878%0.78SS**  trans23.675.4135.3-60.6171.5-172.900116.9D13 E17D13-E15 PolarHBondContact O-N 3.39Å; E15-E17 PolarHBondContact O-N 2.84Å
16D41.9Very low41.4Very low152 Ų152148 Ų14881%0.81378%0.778SS**  trans-86.482.8158.1-75.4-46.2000108.8E14 D18E14-D16 PolarHBondContact O-N 2.8Å; E14-D16 VanDerWaalsContact O-N 3.11Å; D16-D18 VanDerWaalsContact C-N 3.33Å; D16-D18 PolarHBondContact O-N 2.66Å; D16-D18 VanDerWaalsContact O-N 3.1Å
17E41.5Very low40Very low156 Ų156150.6 Ų150.673%0.72979%0.787SS**  trans-74.878169.9-63.7-172.9155.700110.6E15 E19E15-E17 PolarHBondContact O-N 2.84Å; E17-E19 PolarHBondContact O-N 2.94Å
18D41.6Very low39.5Very low142 Ų142151 Ų15176%0.75979%0.789SS**  trans-8389.2169.9-80.9-39.6000110.7D16 I20D16-D18 VanDerWaalsContact C-N 3.33Å; D16-D18 PolarHBondContact O-N 2.66Å; D16-D18 VanDerWaalsContact O-N 3.1Å; D18-I20 WeakPolarHBondContact O-CG1 3.47Å; D18-I20 PolarHBondContact O-N 3.29Å
19E41.8Very low38.8Very low164 Ų164148.1 Ų148.177%0.76678%0.782SS**  trans-59.495.8169.5-71-171.8156.700111.6E17 I21E17-E19 PolarHBondContact O-N 2.94Å; E19-I21 PolarHBondContact O-N 3.03Å; E19-I21 VanDerWaalsContact O-N 3.14Å
20I40.7Very low38.8Very low149 Ų149145.2 Ų145.276%0.76478%0.78SS**  trans-82.993.3174.4-34.8177.2000109.8D18 V22D18-I20 WeakPolarHBondContact O-CG1 3.47Å; D18-I20 PolarHBondContact O-N 3.29Å; I20-V22 HydrophobicContact CG2-CG2 4.14Å; I20-V22 PolarHBondContact O-N 2.98Å
21I36.3Very low38.6Very low152 Ų152148.7 Ų148.778%0.77979%0.787SS**  trans-69.8111.6173.8-59.7166.5000109.8E19E19-I21 PolarHBondContact O-N 3.03Å; E19-I21 VanDerWaalsContact O-N 3.14Å
22V40.5Very low38.5Very low122 Ų122147.1 Ų147.174%0.73979%0.787SS**  trans-124.1135171.1-160.10000110.2I20I20-V22 HydrophobicContact CG2-CG2 4.14Å; I20-V22 PolarHBondContact O-N 2.98Å
23P36.8Very low38.6Very low101 Ų101147.4 Ų147.466%0.65679%0.79SS**  trans-92.2142.7-153.427.2-17.5000114.3K25P23-K25 PolarHBondContact O-N 2.97Å
24K36.3Very low38.6Very low219 Ų219145.8 Ų145.895%0.95279%0.791SS**  trans-49.4110.5173.5-66.3172177.81690111.5
25K37.9Very low38.4Very low192 Ų192139.8 Ų139.884%0.83578%0.776SS**  trans-94.5123.1175.3-78.5178.7178.21670111.5P23P23-K25 PolarHBondContact O-N 2.97Å
26K35.2Very low38Very low185 Ų185133.9 Ų133.980%0.80476%0.762SS**  trans57.699.2138.2-63.9-154.5177.4-172.40120V28K26-V28 PolarHBondContact O-N 2.74Å
27L30.8Very low38.2Very low166 Ų166133.7 Ų133.787%0.86977%0.769SS**  -12.9114.9124.1-158.677000114.2
28V37.5Very low38.1Very low131 Ų131129.7 Ų129.779%0.79477%0.77SS**  trans-135122.2163.926.10000107.7K26K26-V28 PolarHBondContact O-N 2.74Å
29D36.9Very low38.2Very low132 Ų132125.5 Ų125.571%0.70675%0.752SS**  trans-63.9141.8-174.8-68.5-60.1000112.9V31D29-V31 PolarHBondContact O-N 2.98Å
30P42.7Very low38.7Very low123 Ų123129.6 Ų129.680%0.79976%0.76SS**  trans-74.298.8174.430.4-32.5000109.3A32P30-A32 PolarHBondContact O-N 3.18Å
31V38.5Very low39.3Very low141 Ų141129.8 Ų129.886%0.85576%0.756SS**  trans-66.6105.2166.170.70000107.8D29 G33D29-V31 PolarHBondContact O-N 2.98Å; V31-G33 PolarHBondContact O-N 3.4Å
32A38.7Very low40.1Very low94 Ų94130.8 Ų130.878%0.77775%0.754SS**  trans-60.686.6173.100000109.5P30 S34P30-A32 PolarHBondContact O-N 3.18Å; A32-S34 PolarHBondContact O-N 3.34Å
33G37.6Very low40.6Very low72 Ų72127.5 Ų127.574%0.74275%0.746SS**  trans-68.383.2169.600000109.9V31 G35V31-G33 PolarHBondContact O-N 3.4Å; G33-G35 VanDerWaalsContact C-N 3.32Å; G33-G35 PolarHBondContact O-N 3.42Å
34S39.9Very low41.6Very low119 Ų119131 Ų13183%0.83275%0.75SS**  trans-47.991164.4170.40000110.6A32 G36A32-S34 PolarHBondContact O-N 3.34Å; S34-G36 PolarHBondContact O-N 3.45Å
35G33.9Very low42.5Very low50 Ų50129.3 Ų129.352%0.51575%0.746SS.*  trans-76.3101.9170.200000109.2G33G33-G35 VanDerWaalsContact C-N 3.32Å; G33-G35 PolarHBondContact O-N 3.42Å
36G31.9Very low43.5Very low50 Ų50125 Ų12552%0.51574%0.74SS.*  trans-57.7159.3177.700000114.2S34 G38S34-G36 PolarHBondContact O-N 3.45Å; G36-G38 PolarHBondContact O-N 3.41Å
37P44.3Very low44.7Very low147 Ų147124.5 Ų124.596%0.95575%0.745SS**THydrogen-bonded Turntrans-72101.5-173.929.3-32.7000110.1
38G40.6Very low46.1Very low73 Ų73123.8 Ų123.875%0.75374%0.742SS**THydrogen-bonded Turntrans165.7-15173.100000117.3G36G36-G38 PolarHBondContact O-N 3.41Å
39S43.3Very low46.9Very low54 Ų54122.6 Ų122.638%0.37874%0.739SS.*  trans-97.5102.8-176.3-170.90000112.8F41S39-F41 PolarHBondContact O-N 3.29Å; S39-F41 WeakPolarHBondContact OG-CE1 3.47Å; S39-F41 WeakPolarHBondContact OG-CE2 3.26Å; S39-F41 WeakPolarHBondContact OG-CZ 3.36Å
40R53Low48.1Very low249 Ų249124 Ų12494%0.9475%0.747SS**  trans-80.518.6179.5-83.8171.679.3102.3-7.3114.5
41F53.4Low48.6Very low153 Ų153127 Ų12767%0.67175%0.75SS**  trans-129.865.117845.7-91.8000110.4S39S39-F41 PolarHBondContact O-N 3.29Å; S39-F41 WeakPolarHBondContact OG-CE1 3.47Å; S39-F41 WeakPolarHBondContact OG-CE2 3.26Å; S39-F41 WeakPolarHBondContact OG-CZ 3.36Å
42K51.5Low49.4Very low173 Ų173128 Ų12875%0.75275%0.746SS**  trans-98.583169.6-69.9-171.7-178.21780108.6
43G52.2Low50Low54 Ų54131.2 Ų131.256%0.55775%0.745SS**  trans170.858.318000000109.4H45G43-H45 PolarHBondContact O-N 3.01Å; G43-H45 VanDerWaalsContact O-N 3.17Å
44K57.1Low50.6Low174 Ų174135.7 Ų135.776%0.75775%0.751SS**  trans-72.8108.6163-46.4-154.1-174.7-170.80103.3S46K44-S46 VanDerWaalsContact C-N 3.33Å; K44-S46 PolarHBondContact O-N 3.17Å
45H56.4Low51Low184 Ų184136.6 Ų136.685%0.85275%0.747SS**  trans-50.5107167.1-66.2-85.1000106G43 L47G43-H45 PolarHBondContact O-N 3.01Å; G43-H45 VanDerWaalsContact O-N 3.17Å; H45-L47 PolarHBondContact O-N 3.21Å
46S57.2Low51.6Low102 Ų102142.1 Ų142.171%0.71377%0.765SS**  trans-64.6105.7176.2-59.60000106K44 D48K44-S46 VanDerWaalsContact C-N 3.33Å; K44-S46 PolarHBondContact O-N 3.17Å; S46-D48 PolarHBondContact O-N 3.26Å
47L60.5Low52.5Low174 Ų174146.1 Ų146.191%0.91177%0.774SS**SBendtrans-63.767.6163.4-172151.1000107.4H45H45-L47 PolarHBondContact O-N 3.21Å
48D61.1Low52.6Low150 Ų150142.3 Ų142.380%0.80276%0.762SS**  trans-151.224.2-179.7-138.819.4000110.3S46S46-D48 PolarHBondContact O-N 3.26Å
49S54.7Low53Low107 Ų107142.9 Ų142.975%0.74877%0.767SS**  trans-11453.1170.9-152.30000107.9
50D61.6Low53.4Low160 Ų160143.5 Ų143.586%0.85677%0.771SS**  trans-123.313.4171.5-152.825.6000110.9E52D50-E52 VanDerWaalsContact C-N 3.33Å
51E53.2Low53.4Low187 Ų187136.7 Ų136.787%0.87476%0.762SS**  trans-98.759.1161.5-84.7-173.216300108E53E51-E53 PolarHBondContact O-N 3.15Å
52E55.9Low53.8Low162 Ų162137.7 Ų137.776%0.75777%0.766SS**  trans-82.3105.1150.3-71.8-70.8157.400104D50 D54D50-E52 VanDerWaalsContact C-N 3.33Å; E52-D54 PolarHBondContact O-N 2.99Å
53E49.8Very low54.5Low162 Ų162134.7 Ų134.776%0.75775%0.751SS**  trans-28.2121.5172.7-80.7163.6144.300110.7E51 D55E51-E53 PolarHBondContact O-N 3.15Å; E53-D55 PolarHBondContact O-N 2.93Å
54D50.7Low55.7Low165 Ų165138 Ų13888%0.88276%0.756SS**  trans-58.579.7160.3-71.2-56.6000107.1E52 D56E52-D54 PolarHBondContact O-N 2.99Å; D54-D56 PolarHBondContact O-N 2.67Å
55D49.3Very low56.9Low138 Ų138133.3 Ų133.374%0.73874%0.738SS**  trans-62.396.1164-82.8-35.5000105.3E53 D57E53-D55 PolarHBondContact O-N 2.93Å; D55-D57 PolarHBondContact O-N 2.79Å
56D46.1Very low58.1Low167 Ų167126.9 Ų126.989%0.89371%0.71SS**  trans-62.734.2176.6-165.426.7000112.1D54 G58D54-D56 PolarHBondContact O-N 2.67Å; D56-G58 PolarHBondContact O-N 3.32Å
57D50.4Low59.2Low134 Ų134123.9 Ų123.972%0.71769%0.692SS**SBendtrans-98.480.6177.3-153.666.5000109.2D55 G59D55-D57 PolarHBondContact O-N 2.79Å; D57-G59 PolarHBondContact O-N 2.92Å
58G47.8Very low59.9Low67 Ų67119.5 Ų119.569%0.69168%0.676SS**THydrogen-bonded Turntrans60.331.3143.400000118.9D56 S60D56-G58 PolarHBondContact O-N 3.32Å; G58-S60 PolarHBondContact O-N 2.76Å
59G47.4Very low60.7Low84 Ų84120.3 Ų120.387%0.86668%0.675SS**THydrogen-bonded Turntrans57.85.6155.500000119.5D57D57-G59 PolarHBondContact O-N 2.92Å
60S52Low62.1Low67 Ų67119.6 Ų119.647%0.46966%0.662SS.*  trans-103.64.7-178.977.90000114G58G58-S60 PolarHBondContact O-N 2.76Å
61S53.4Low63Low107 Ų107113.1 Ų113.175%0.74863%0.628SS**THydrogen-bonded Turntrans-93.6-1.6-166.7590000115.8
62K61Low64.3Low174 Ų174112.9 Ų112.976%0.75763%0.627SS**THydrogen-bonded Turntrans-76.1-31.3176.2-166.8173.1-179.6175.90112.5
63Y66.3Low65.5Low109 Ų109107.9 Ų107.943%0.42762%0.619SS.*THydrogen-bonded Turntrans-140.4122.8174.4-63.1-81.7000105.7I65 F108Y63-I65 WeakPolarHBondContact O-CG1 3.47Å; Y63-I65 PolarHBondContact O-N 3.02Å; Y63-F108 HydrophobicContact CD1-CE2 4.43Å; Y63-F108 HydrophobicContact CD1-CZ 4.17Å; Y63-F108 HydrophobicContact CE1-CZ 4.21Å; Y63-F108 HydrophobicContact CG-CE2 4.41Å; Y63-F108 HydrophobicContact CG-CZ 4.35Å
64D78.9Confident67Low123 Ų123104.4 Ų104.466%0.65860%0.603SS**THydrogen-bonded Turntrans-64.6100.6178.4-162.514.7000108.1L66 D102 A103D64-L66 PolarHBondContact O-N 2.85Å; D64-D102 CarbonylContact O-C 3.51Å; D64-D102 WeakPolarHBondContact O-CA 3.19Å; D64-A103 HydrophobicContact CB-CB 4.15Å; D64-A103 PolarHBondContact O-N 2.84Å
65I81.1Confident68.6Low76 Ų76102.4 Ų102.439%0.3959%0.588SS.*BIsolated β-bridgetrans-72.7121.2-174.7-60.2178000107.9Y63 A67 H100 F101Y63-I65 WeakPolarHBondContact O-CG1 3.47Å; Y63-I65 PolarHBondContact O-N 3.02Å; I65-A67 PolarHBondContact O-N 2.84Å; I65-H100 HydrophobicContact CG2-CB 3.88Å; I65-F101 WeakPolarHBondContact CA-O 3.49Å
66L81.9Confident70.1Confident50 Ų50100 Ų10026%0.26259%0.587SS.*PPolyproline II helixtrans-63.9134.9176.7-71.8178.5000111.1D64 D70 F101 D102 A103D64-L66 PolarHBondContact O-N 2.85Å; L66-D70 HydrophobicContact CD2-CB 4.07Å; L66-F101 HydrophobicContact CB-CB 4.37Å; L66-F101 HydrophobicContact CD1-CB 4.16Å; L66-F101 PolarHBondContact N-O 3.5Å; L66-D102 WeakPolarHBondContact CD1-O 3.45Å; L66-D102 WeakPolarHBondContact CG-O 3.22Å; L66-A103 HydrophobicContact CD2-CB 4.29Å
67A80.3Confident71.7Confident39 Ų3995.8 Ų95.832%0.32258%0.576SS.*PPolyproline II helixtrans-77.4157.8173.300000110.6I65 E69 D70I65-A67 PolarHBondContact O-N 2.84Å; A67-E69 HydrophobicContact CB-CG 3.84Å; A67-E69 PolarHBondContact O-N 2.84Å; A67-D70 PolarHBondContact N-OD2 2.78Å; A67-D70 VanDerWaalsContact N-OD2 3.12Å; A67-D70 PolarHBondContact O-N 3.21Å
68S74.9Confident73.1Confident82 Ų8293.3 Ų93.357%0.57357%0.566SS**THydrogen-bonded Turntrans-59.5-18.917758.10000114.3Q74S68-Q74 PolarHBondContact O-NE2 3.37Å
69E79.1Confident74.6Confident167 Ų16795.2 Ų95.278%0.7856%0.559SS**THydrogen-bonded Turntrans-82.7-22.2177.558.9-174.5-179.900113.7A67 V71A67-E69 HydrophobicContact CB-CG 3.84Å; A67-E69 PolarHBondContact O-N 2.84Å; E69-V71 VanDerWaalsContact C-N 3.26Å; E69-V71 PolarHBondContact O-N 3.23Å
70D83.2Confident76Confident92 Ų9296.4 Ų96.449%0.49255%0.552SS.*THydrogen-bonded Turntrans-81.1-11177.9-58.4-42.1000112.3L66 A67 E72L66-D70 HydrophobicContact CD2-CB 4.07Å; A67-D70 PolarHBondContact N-OD2 2.78Å; A67-D70 VanDerWaalsContact N-OD2 3.12Å; A67-D70 PolarHBondContact O-N 3.21Å; D70-E72 PolarHBondContact O-N 2.77Å
71V81.1Confident77.5Confident24 Ų2496.1 Ų96.115%0.14555%0.55CS..  trans-82.4102.1-177.7178.10000110.4E69 Q74 L92 M96E69-V71 VanDerWaalsContact C-N 3.26Å; E69-V71 PolarHBondContact O-N 3.23Å; V71-Q74 HydrophobicContact CG1-CG 4.05Å; V71-L92 HydrophobicContact CG1-CB 4.33Å; V71-L92 HydrophobicContact CG1-CD1 3.25Å; V71-L92 HydrophobicContact CG1-CG 4.39Å; V71-M96 HydrophobicContact CG2-CE 4.17Å; V71-M96 HydrophobicContact CG2-SD 4.13Å
72E79.9Confident78.7Confident182 Ų18297.2 Ų97.285%0.8554%0.543SS*.THydrogen-bonded Turntrans-78.1151.4175.7-62.1-171.9171.500112.9D70D70-E72 PolarHBondContact O-N 2.77Å
73G81Confident79.7Confident56 Ų5693 Ų9358%0.57755%0.549SS*.THydrogen-bonded Turntrans86.613.916900000116.6E75G73-E75 PolarHBondContact O-N 3.34Å
74Q82.3Confident80.4Confident90 Ų9091.2 Ų91.242%0.42156%0.564SS.*PPolyproline II helixtrans-63.8121.4176.6-62.8178.211.700111.7S68 V71S68-Q74 PolarHBondContact O-NE2 3.37Å; V71-Q74 HydrophobicContact CG1-CG 4.05Å
75E83.3Confident80.7Confident122 Ų12290.2 Ų90.257%0.5756%0.562SS**PPolyproline II helixtrans-95.4158.3176.7-63.5-164.1161.800112.6G73 F90 N91G73-E75 PolarHBondContact O-N 3.34Å; E75-F90 PolarHBondContact N-O 3.39Å; E75-N91 WeakPolarHBondContact O-CB 3.42Å
76A80.6Confident80.8Confident88 Ų8897.3 Ų97.373%0.72758%0.584SS**PPolyproline II helixtrans-71.4148.5171.900000110.9T78A76-T78 PolarHBondContact O-N 3.38Å
77A79.7Confident80.9Confident78 Ų7898 Ų9865%0.64559%0.587SS**PPolyproline II helixtrans-53.912417900000112.1P89A77-P89 HydrophobicContact CB-CB 4.15Å; A77-P89 HydrophobicContact CB-CG 4.22Å
78T79.4Confident81Confident83 Ų83100.8 Ų100.851%0.50960%0.6SS.*  trans-77.7-170.9177.1-41.30000110.9A76A76-T78 PolarHBondContact O-N 3.38Å
79L80.8Confident81.5Confident106 Ų10698.6 Ų98.656%0.55558%0.584SS**  trans-54.7131.8172.1-60.7177.7000110.5S81L79-S81 VanDerWaalsContact C-N 3.25Å; L79-S81 PolarHBondContact O-N 3.32Å
80P76.9Confident81.8Confident110 Ų11096.7 Ų96.771%0.71457%0.573SS**SBendtrans-67.7-24.1-173.525.4-34.6000113.6I87P80-I87 PolarHBondContact O-N 2.62Å
81S82Confident81.9Confident60 Ų6093.1 Ų93.142%0.4255%0.554SS.*EExtended strand (participates in β ladder)trans-155.5137.1174.5-177.10000111.2L79 V85L79-S81 VanDerWaalsContact C-N 3.25Å; L79-S81 PolarHBondContact O-N 3.32Å; S81-V85 WeakPolarHBondContact CA-O 3.34Å; S81-V85 WeakPolarHBondContact CB-O 3.34Å; S81-V85 PolarHBondContact OG-O 3.13Å
82E79Confident82.1Confident131 Ų13193.5 Ų93.561%0.61256%0.555SS**EExtended strand (participates in β ladder)trans-123.8130.4167.2-170.9149.4-177.600109G84 V85 I87E82-G84 PolarHBondContact O-N 3.18Å; E82-V85 PolarHBondContact N-O 2.95Å; E82-V85 VanDerWaalsContact N-O 3.14Å; E82-V85 PolarHBondContact O-N 3.29Å; E82-I87 HydrophobicContact CB-CD1 3.7Å
83G82.3Confident82.3Confident86 Ų8691 Ų9189%0.88754%0.543SS*.THydrogen-bonded Turntrans62.217177.900000116V85G83-V85 VanDerWaalsContact C-N 3.35Å
84G81.3Confident82.5Confident71 Ų7193.1 Ų93.173%0.73254%0.538SS*.THydrogen-bonded Turntrans871.6-175.700000114.5E82E82-G84 PolarHBondContact O-N 3.18Å
85V85.6Confident82.7Confident101 Ų10192 Ų9261%0.61253%0.533SS*.EExtended strand (participates in β ladder)trans-93134.1169.7-175.20000108.1S81 E82 G83S81-V85 WeakPolarHBondContact CA-O 3.34Å; S81-V85 WeakPolarHBondContact CB-O 3.34Å; S81-V85 PolarHBondContact OG-O 3.13Å; E82-V85 PolarHBondContact N-O 2.95Å; E82-V85 VanDerWaalsContact N-O 3.14Å; E82-V85 PolarHBondContact O-N 3.29Å; G83-V85 VanDerWaalsContact C-N 3.35Å
86R82.1Confident82.7Confident226 Ų22688.9 Ų88.985%0.85352%0.519SS*.EExtended strand (participates in β ladder)trans-75.6131.6172.3-64.2179.9-1731661.2108.1
87I83.5Confident82.8Confident63 Ų6392.4 Ų92.432%0.32352%0.521SS..PPolyproline II helixtrans-100.8118.7177.6-58.6174.5000107.3P80 E82P80-I87 PolarHBondContact O-N 2.62Å; E82-I87 HydrophobicContact CB-CD1 3.7Å
88T83Confident83Confident98 Ų9893.3 Ų93.360%0.60151%0.512SS*.PPolyproline II helixtrans-78.4128168.345.90000108.5
89P84.8Confident83.5Confident36 Ų3689.5 Ų89.523%0.23449%0.488CS..PPolyproline II helixtrans-74.6148.3177.532.5-35000111A77 N91A77-P89 HydrophobicContact CB-CB 4.15Å; A77-P89 HydrophobicContact CB-CG 4.22Å; P89-N91 PolarHBondContact O-N 3.38Å
90F86.6Confident83.8Confident128 Ų12887 Ų8756%0.56147%0.474SS*.SBendtrans-81.567.9178-166.7-105.6000110.9E75E75-F90 PolarHBondContact N-O 3.39Å
91N84.1Confident84.3Confident17 Ų1783.7 Ų83.79%0.09145%0.448CS..SBendtrans-123.31-179.171.50.2000114E75 P89 Q93E75-N91 WeakPolarHBondContact O-CB 3.42Å; P89-N91 PolarHBondContact O-N 3.38Å; N91-Q93 HydrophobicContact CB-CG 4.34Å; N91-Q93 PolarHBondContact ND2-OE1 3.1Å; N91-Q93 PolarHBondContact O-N 3Å; N91-Q93 WeakPolarHBondContact OD1-CB 3.34Å; N91-Q93 PolarHBondContact OD1-N 3.37Å; N91-Q93 VanDerWaalsContact OD1-N 3.16Å
92L85.6Confident84.6Confident31 Ų3181 Ų8116%0.16243%0.429CS..  trans56.912.2178.4-66.7165.6000114.8V71 E95 M96 F101V71-L92 HydrophobicContact CG1-CB 4.33Å; V71-L92 HydrophobicContact CG1-CD1 3.25Å; V71-L92 HydrophobicContact CG1-CG 4.39Å; L92-E95 VanDerWaalsContact CA-OE2 3.23Å; L92-E95 WeakPolarHBondContact CA-OE2 3.27Å; L92-E95 HydrophobicContact CD2-CB 4.24Å; L92-E95 HydrophobicContact CD2-CG 4.21Å; L92-M96 VanDerWaalsContact O-CB 3.31Å; L92-M96 WeakPolarHBondContact O-CB 3.29Å; L92-M96 WeakPolarHBondContact O-CG 3.42Å; L92-M96 PolarHBondContact O-N 3.14Å; L92-F101 HydrophobicContact CD2-CE2 4.33Å; L92-F101 HydrophobicContact CD2-CZ 4.03Å
93Q83.7Confident84.9Confident129 Ų12977.4 Ų77.460%0.60342%0.422SS*.Hα-helixtrans-70.2-40.4-175.5-72.7-179.9-18.100112.3N91 E97N91-Q93 HydrophobicContact CB-CG 4.34Å; N91-Q93 PolarHBondContact ND2-OE1 3.1Å; N91-Q93 PolarHBondContact O-N 3Å; N91-Q93 WeakPolarHBondContact OD1-CB 3.34Å; N91-Q93 PolarHBondContact OD1-N 3.37Å; N91-Q93 VanDerWaalsContact OD1-N 3.16Å; Q93-E97 PolarHBondContact O-N 2.88Å; Q93-E97 VanDerWaalsContact O-N 3.14Å
94E85.4Confident85Confident101 Ų10180 Ų8047%0.47242%0.416SS..Hα-helixtrans-68.8-43.6178.3-173.4168.8-179.300109.7M96 E97 E98E94-M96 PolarHBondContact O-N 2.8Å; E94-E97 PolarHBondContact O-N 3.18Å; E94-E98 WeakPolarHBondContact O-CB 2.83Å; E94-E98 WeakPolarHBondContact O-CG 3.4Å; E94-E98 PolarHBondContact O-N 3.47Å
95E86.7Confident85.1Confident67 Ų6779 Ų7931%0.31341%0.405SS..Hα-helixtrans-63.2-43.4178-64.583.3168.500111.8L92 E97 E98 G99 F101 Y107L92-E95 VanDerWaalsContact CA-OE2 3.23Å; L92-E95 WeakPolarHBondContact CA-OE2 3.27Å; L92-E95 HydrophobicContact CD2-CB 4.24Å; L92-E95 HydrophobicContact CD2-CG 4.21Å; E95-E97 VanDerWaalsContact C-N 3.3Å; E95-E97 PolarHBondContact O-N 2.87Å; E95-E98 PolarHBondContact O-N 3.13Å; E95-G99 CarbonylContact O-C 3.28Å; E95-G99 WeakPolarHBondContact O-CA 3.35Å; E95-G99 PolarHBondContact O-N 3.26Å; E95-F101 HydrophobicContact CB-CE2 4.05Å; E95-F101 HydrophobicContact CB-CZ 4.25Å; E95-Y107 HydrophobicContact CB-CE2 4.14Å; E95-Y107 WeakPolarHBondContact O-CE2 3.36Å; E95-Y107 PolarHBondContact O-OH 2.86Å
96M83Confident85.3Confident56 Ų5678.3 Ų78.328%0.27640%0.398SS..Hα-helixtrans-71.3-19.6176.8-69-169.689.600114.1V71 L92 E94 G99V71-M96 HydrophobicContact CG2-CE 4.17Å; V71-M96 HydrophobicContact CG2-SD 4.13Å; L92-M96 VanDerWaalsContact O-CB 3.31Å; L92-M96 WeakPolarHBondContact O-CB 3.29Å; L92-M96 WeakPolarHBondContact O-CG 3.42Å; L92-M96 PolarHBondContact O-N 3.14Å; E94-M96 PolarHBondContact O-N 2.8Å; M96-G99 CarbonylContact C-O 3.44Å; M96-G99 VanDerWaalsContact C-O 3.28Å; M96-G99 WeakPolarHBondContact CA-O 3.46Å
97E83.7Confident85.6Confident163 Ų16371.5 Ų71.576%0.76237%0.373SS*.Hα-helixtrans-82.2-45.3171.3-177.6174.9-174.500110.6Q93 E94 E95 G99Q93-E97 PolarHBondContact O-N 2.88Å; Q93-E97 VanDerWaalsContact O-N 3.14Å; E94-E97 PolarHBondContact O-N 3.18Å; E95-E97 VanDerWaalsContact C-N 3.3Å; E95-E97 PolarHBondContact O-N 2.87Å; E97-G99 VanDerWaalsContact C-N 3.28Å; E97-G99 PolarHBondContact O-N 2.7Å
98E84.7Confident85.7Confident97 Ų9771.7 Ų71.745%0.45337%0.372SS..Hα-helixtrans-75.7-16.9-178.8-68.7-174.2-176.400113.2E94 E95 Y107 L109 N110E94-E98 WeakPolarHBondContact O-CB 2.83Å; E94-E98 WeakPolarHBondContact O-CG 3.4Å; E94-E98 PolarHBondContact O-N 3.47Å; E95-E98 PolarHBondContact O-N 3.13Å; E98-Y107 VanDerWaalsContact C-OH 3.29Å; E98-Y107 WeakPolarHBondContact CB-OH 3.32Å; E98-L109 HydrophobicContact CB-CD1 3.97Å; E98-L109 WeakPolarHBondContact O-CD1 3.43Å; E98-N110 WeakPolarHBondContact O-CA 3.36Å; E98-N110 VanDerWaalsContact O-CB 3.27Å; E98-N110 WeakPolarHBondContact O-CB 3.23Å; E98-N110 PolarHBondContact O-N 3.41Å
99G88.9Confident85.9Confident2 Ų271.8 Ų71.82%0.02137%0.368CS..EExtended strand (participates in β ladder)trans-167.9-170.4-173.700000113E95 M96 E97 Y107 F108 N110E95-G99 CarbonylContact O-C 3.28Å; E95-G99 WeakPolarHBondContact O-CA 3.35Å; E95-G99 PolarHBondContact O-N 3.26Å; M96-G99 CarbonylContact C-O 3.44Å; M96-G99 VanDerWaalsContact C-O 3.28Å; M96-G99 WeakPolarHBondContact CA-O 3.46Å; E97-G99 VanDerWaalsContact C-N 3.28Å; E97-G99 PolarHBondContact O-N 2.7Å; G99-Y107 WeakPolarHBondContact CA-OH 3.42Å; G99-Y107 PolarHBondContact N-OH 3.33Å; G99-Y107 VanDerWaalsContact N-OH 3.15Å; G99-F108 CarbonylContact C-O 3.43Å; G99-F108 WeakPolarHBondContact CA-O 3.39Å; G99-N110 WeakPolarHBondContact CA-ND2 3.35Å
100H86.5Confident85.7Confident55 Ų5573 Ų7326%0.25537%0.372SS..EExtended strand (participates in β ladder)trans-138.7151.7-179.853.5-83.2000110.9I65 F108 N110I65-H100 HydrophobicContact CG2-CB 3.88Å; H100-F108 PolarHBondContact N-O 2.82Å; H100-F108 PolarHBondContact ND1-O 3.42Å; H100-F108 WeakPolarHBondContact NE2-CB 3.28Å; H100-F108 AromaticContact NE2-CG 3.92Å; H100-F108 PolarHBondContact O-N 2.79Å; H100-N110 PolarHBondContact CE1-OD1 2.9Å; H100-N110 PolarHBondContact ND1-OD1 3.16Å
101F87.9Confident85.2Confident39 Ų3974.8 Ų74.817%0.17138%0.375CS..EExtended strand (participates in β ladder)trans-100.4139.2175.3-69.4-94000109.6I65 L66 L92 E95 N106 Y107I65-F101 WeakPolarHBondContact CA-O 3.49Å; L66-F101 HydrophobicContact CB-CB 4.37Å; L66-F101 HydrophobicContact CD1-CB 4.16Å; L66-F101 PolarHBondContact N-O 3.5Å; L92-F101 HydrophobicContact CD2-CE2 4.33Å; L92-F101 HydrophobicContact CD2-CZ 4.03Å; E95-F101 HydrophobicContact CB-CE2 4.05Å; E95-F101 HydrophobicContact CB-CZ 4.25Å; F101-N106 VanDerWaalsContact CA-O 3.3Å; F101-N106 WeakPolarHBondContact CA-O 3.47Å; F101-Y107 HydrophobicContact CD1-CD2 4.33Å; F101-Y107 HydrophobicContact CD2-CD2 4.08Å; F101-Y107 AromaticContact CE1-CD2 3.96Å; F101-Y107 HydrophobicContact CE1-CD2 3.96Å; F101-Y107 HydrophobicContact CE1-CG 4.27Å; F101-Y107 AromaticContact CE2-CD2 3.67Å; F101-Y107 HydrophobicContact CE2-CD2 3.67Å; F101-Y107 HydrophobicContact CE2-CE2 4.1Å; F101-Y107 HydrophobicContact CG-CD2 4.39Å; F101-Y107 AromaticContact CZ-CD2 3.61Å; F101-Y107 HydrophobicContact CZ-CD2 3.61Å; F101-Y107 HydrophobicContact CZ-CE2 4.32Å; F101-Y107 HydrophobicContact CZ-CG 4.21Å
102D87.7Confident84.4Confident3 Ų381.1 Ų81.12%0.01641%0.409CS..BIsolated β-bridgetrans-85.5167.9165.767.313.6000111.3D64 L66 D104 G105 N106 F108D64-D102 CarbonylContact O-C 3.51Å; D64-D102 WeakPolarHBondContact O-CA 3.19Å; L66-D102 WeakPolarHBondContact CD1-O 3.45Å; L66-D102 WeakPolarHBondContact CG-O 3.22Å; D102-D104 PolarHBondContact O-N 3.12Å; D102-D104 VanDerWaalsContact O-N 3.14Å; D102-D104 WeakPolarHBondContact OD1-CA 3.4Å; D102-D104 WeakPolarHBondContact OD1-CB 3.43Å; D102-D104 PolarHBondContact OD1-N 2.76Å; D102-D104 VanDerWaalsContact OD1-N 3.1Å; D102-G105 PolarHBondContact O-N 2.81Å; D102-G105 PolarHBondContact OD1-N 3.49Å; D102-N106 PolarHBondContact N-O 3.48Å; D102-N106 WeakPolarHBondContact OD1-CA 3.15Å; D102-N106 WeakPolarHBondContact OD1-CB 3.17Å; D102-N106 PolarHBondContact OD1-N 3.5Å; D102-N106 WeakPolarHBondContact OD2-CB 3.4Å; D102-N106 PolarHBondContact OD2-ND2 2.74Å; D102-F108 HydrophobicContact CB-CE2 3.87Å; D102-F108 VanDerWaalsContact OD2-CE2 3.32Å; D102-F108 WeakPolarHBondContact OD2-CE2 3.5Å
103A85Confident83.6Confident57 Ų5783.5 Ų83.547%0.47143%0.433SS..THydrogen-bonded Turntrans-59.9-18.917600000114.4D64 L66 G105D64-A103 HydrophobicContact CB-CB 4.15Å; D64-A103 PolarHBondContact O-N 2.84Å; L66-A103 HydrophobicContact CD2-CB 4.29Å; A103-G105 VanDerWaalsContact C-N 3.31Å
104D86.2Confident82.9Confident141 Ų14181.6 Ų81.675%0.75442%0.424SS*.THydrogen-bonded Turntrans-84.4-6.7175.1-67.9-38.5000112.5D102D102-D104 PolarHBondContact O-N 3.12Å; D102-D104 VanDerWaalsContact O-N 3.14Å; D102-D104 WeakPolarHBondContact OD1-CA 3.4Å; D102-D104 WeakPolarHBondContact OD1-CB 3.43Å; D102-D104 PolarHBondContact OD1-N 2.76Å; D102-D104 VanDerWaalsContact OD1-N 3.1Å
105G82.3Confident82.4Confident49 Ų4982.8 Ų82.851%0.50543%0.432SS..  trans85.912-179.500000114.8D102 A103D102-G105 PolarHBondContact O-N 2.81Å; D102-G105 PolarHBondContact OD1-N 3.49Å; A103-G105 VanDerWaalsContact C-N 3.31Å
106N89.1Confident81.6Confident87 Ų8787.4 Ų87.447%0.46545%0.447SS..  trans-77.3138.9172.4-55.1-49.2000110.7F101 D102 F108F101-N106 VanDerWaalsContact CA-O 3.3Å; F101-N106 WeakPolarHBondContact CA-O 3.47Å; D102-N106 PolarHBondContact N-O 3.48Å; D102-N106 WeakPolarHBondContact OD1-CA 3.15Å; D102-N106 WeakPolarHBondContact OD1-CB 3.17Å; D102-N106 PolarHBondContact OD1-N 3.5Å; D102-N106 WeakPolarHBondContact OD2-CB 3.4Å; D102-N106 PolarHBondContact OD2-ND2 2.74Å; N106-F108 HydrophobicContact CB-CE2 3.98Å; N106-F108 HydrophobicContact CB-CZ 4.23Å
107Y88.5Confident81.5Confident83 Ų8388.9 Ų88.933%0.32546%0.456SS..EExtended strand (participates in β ladder)trans-95.8126.3175.9179.8-114.4000111.9E95 E98 G99 F101 L109E95-Y107 HydrophobicContact CB-CE2 4.14Å; E95-Y107 WeakPolarHBondContact O-CE2 3.36Å; E95-Y107 PolarHBondContact O-OH 2.86Å; E98-Y107 VanDerWaalsContact C-OH 3.29Å; E98-Y107 WeakPolarHBondContact CB-OH 3.32Å; G99-Y107 WeakPolarHBondContact CA-OH 3.42Å; G99-Y107 PolarHBondContact N-OH 3.33Å; G99-Y107 VanDerWaalsContact N-OH 3.15Å; F101-Y107 HydrophobicContact CD1-CD2 4.33Å; F101-Y107 HydrophobicContact CD2-CD2 4.08Å; F101-Y107 AromaticContact CE1-CD2 3.96Å; F101-Y107 HydrophobicContact CE1-CD2 3.96Å; F101-Y107 HydrophobicContact CE1-CG 4.27Å; F101-Y107 AromaticContact CE2-CD2 3.67Å; F101-Y107 HydrophobicContact CE2-CD2 3.67Å; F101-Y107 HydrophobicContact CE2-CE2 4.1Å; F101-Y107 HydrophobicContact CG-CD2 4.39Å; F101-Y107 AromaticContact CZ-CD2 3.61Å; F101-Y107 HydrophobicContact CZ-CD2 3.61Å; F101-Y107 HydrophobicContact CZ-CE2 4.32Å; F101-Y107 HydrophobicContact CZ-CG 4.21Å; Y107-L109 HydrophobicContact CE1-CB 4.15Å; Y107-L109 HydrophobicContact CE1-CD1 4.04Å
108F85.7Confident81.5Confident67 Ų6785.7 Ų85.729%0.29445%0.452SS..EExtended strand (participates in β ladder)trans-111.3108174.8-63.5-83000110.3Y63 G99 H100 D102 N106 N110Y63-F108 HydrophobicContact CD1-CE2 4.43Å; Y63-F108 HydrophobicContact CD1-CZ 4.17Å; Y63-F108 HydrophobicContact CE1-CZ 4.21Å; Y63-F108 HydrophobicContact CG-CE2 4.41Å; Y63-F108 HydrophobicContact CG-CZ 4.35Å; G99-F108 CarbonylContact C-O 3.43Å; G99-F108 WeakPolarHBondContact CA-O 3.39Å; H100-F108 PolarHBondContact N-O 2.82Å; H100-F108 PolarHBondContact ND1-O 3.42Å; H100-F108 WeakPolarHBondContact NE2-CB 3.28Å; H100-F108 AromaticContact NE2-CG 3.92Å; H100-F108 PolarHBondContact O-N 2.79Å; D102-F108 HydrophobicContact CB-CE2 3.87Å; D102-F108 VanDerWaalsContact OD2-CE2 3.32Å; D102-F108 WeakPolarHBondContact OD2-CE2 3.5Å; N106-F108 HydrophobicContact CB-CE2 3.98Å; N106-F108 HydrophobicContact CB-CZ 4.23Å; F108-N110 PolarHBondContact O-N 3.07Å
109L87.6Confident81.4Confident99 Ų9990.3 Ų90.352%0.51847%0.465SS..EExtended strand (participates in β ladder)trans-67.4125.8174.4-172.477.5000110.6E98 Y107 R111E98-L109 HydrophobicContact CB-CD1 3.97Å; E98-L109 WeakPolarHBondContact O-CD1 3.43Å; Y107-L109 HydrophobicContact CE1-CB 4.15Å; Y107-L109 HydrophobicContact CE1-CD1 4.04Å; L109-R111 PolarHBondContact O-N 3.28Å; L109-R111 VanDerWaalsContact O-N 3.15Å
110N81.1Confident81Confident61 Ų6193 Ų9333%0.32648%0.479SS..  trans-70.7106.4171.8-61.5-28.3000108.6E98 G99 H100 F108 D112E98-N110 WeakPolarHBondContact O-CA 3.36Å; E98-N110 VanDerWaalsContact O-CB 3.27Å; E98-N110 WeakPolarHBondContact O-CB 3.23Å; E98-N110 PolarHBondContact O-N 3.41Å; G99-N110 WeakPolarHBondContact CA-ND2 3.35Å; H100-N110 PolarHBondContact CE1-OD1 2.9Å; H100-N110 PolarHBondContact ND1-OD1 3.16Å; F108-N110 PolarHBondContact O-N 3.07Å; N110-D112 PolarHBondContact O-N 3.03Å
111R74.9Confident80.7Confident166 Ų16695.6 Ų95.663%0.62649%0.494SS*.  trans-82.556.1179.8-63-178.767.3108.58.3111.5L109 A113L109-R111 PolarHBondContact O-N 3.28Å; L109-R111 VanDerWaalsContact O-N 3.15Å; R111-A113 VanDerWaalsContact C-N 3.34Å
112D67.8Low80.3Confident151 Ų151100 Ų10081%0.80752%0.52SS*.  trans-70.2-38.1177.7-64.9-15.9000110.7N110 Q114N110-D112 PolarHBondContact O-N 3.03Å; D112-Q114 PolarHBondContact O-N 3.19Å
113A69.7Low80.1Confident80 Ų80102.2 Ų102.266%0.66153%0.531SS*.SBendtrans-87.383.617400000110.2R111 I115R111-A113 VanDerWaalsContact C-N 3.34Å; A113-I115 PolarHBondContact O-N 3.49Å
114Q68.4Low79.8Confident90 Ų90103.8 Ų103.842%0.42153%0.532SS..  trans-71.174.9169-176.467.28800110.1D112 R116D112-Q114 PolarHBondContact O-N 3.19Å; Q114-R116 HydrophobicContact CG-CG 4.24Å; Q114-R116 PolarHBondContact O-N 3.32Å
115I74.3Confident79.5Confident125 Ų125104.7 Ų104.764%0.64152%0.524SS*.  trans-71.1122161.4-57.3173.9000105.6A113A113-I115 PolarHBondContact O-N 3.49Å
116R71.8Confident79.3Confident165 Ų165107.3 Ų107.362%0.62353%0.53SS*.  trans-92.2115.3174.6-76-74.4157.486.42.6107.7Q114Q114-R116 HydrophobicContact CG-CG 4.24Å; Q114-R116 PolarHBondContact O-N 3.32Å
117D80.4Confident78.8Confident87 Ų87109.7 Ų109.747%0.46554%0.537SS..  trans-77.4124.3178.4-64.5-25000109.2W119 L120 D121D117-W119 PolarHBondContact O-N 2.92Å; D117-L120 HydrophobicContact CB-CB 4.5Å; D117-L120 HydrophobicContact CB-CD1 4.29Å; D117-L120 HydrophobicContact CB-CG 4.09Å; D117-L120 PolarHBondContact O-N 3.45Å; D117-D121 PolarHBondContact O-N 3.19Å
118S83.3Confident78.1Confident95 Ų95110 Ų11066%0.66454%0.543SS*.THydrogen-bonded Turntrans-59.8-12.9175.8-53.90000113.4N122S118-N122 PolarHBondContact O-ND2 3.18Å
119W82.7Confident77.6Confident195 Ų195117.6 Ų117.674%0.73957%0.57SS**THydrogen-bonded Turntrans-79.3-35.4171.4-177.941.8000112.9D117 D121 N122D117-W119 PolarHBondContact O-N 2.92Å; W119-D121 VanDerWaalsContact C-N 3.28Å; W119-D121 PolarHBondContact O-N 2.99Å; W119-N122 PolarHBondContact O-N 2.88Å
120L79.8Confident77Confident58 Ų58120.4 Ų120.430%0.30458%0.581SS.*G310 helixtrans-71-26.1177.5-66-179.5000112.5D117 N122 I123 W125D117-L120 HydrophobicContact CB-CB 4.5Å; D117-L120 HydrophobicContact CB-CD1 4.29Å; D117-L120 HydrophobicContact CB-CG 4.09Å; D117-L120 PolarHBondContact O-N 3.45Å; L120-N122 PolarHBondContact O-N 2.81Å; L120-I123 HydrophobicContact CD2-CD1 3.95Å; L120-I123 WeakPolarHBondContact O-CB 3.35Å; L120-I123 PolarHBondContact O-N 3.49Å; L120-I123 VanDerWaalsContact O-N 3.09Å; L120-W125 HydrophobicContact CD2-CZ2 4.24Å
121D80Confident76.2Confident109 Ų109122.5 Ų122.558%0.58358%0.584SS**G310 helixtrans-65.6-23.1178.8-68.9-19.7000112.9D117 W119 I123D117-D121 PolarHBondContact O-N 3.19Å; W119-D121 VanDerWaalsContact C-N 3.28Å; W119-D121 PolarHBondContact O-N 2.99Å; D121-I123 VanDerWaalsContact C-N 3.25Å; D121-I123 PolarHBondContact O-N 3.03Å
122N80.5Confident76.2Confident133 Ų133117.8 Ų117.871%0.71158%0.575SS**G310 helixtrans-85.21.7177-58.7-48000112.7S118 W119 L120S118-N122 PolarHBondContact O-ND2 3.18Å; W119-N122 PolarHBondContact O-N 2.88Å; L120-N122 PolarHBondContact O-N 2.81Å
123I82.7Confident76Confident49 Ų49117.4 Ų117.425%0.25158%0.58SS.*  trans-102.6116.9-176.7-56.8179.9000110.4L120 D121 W125 I128L120-I123 HydrophobicContact CD2-CD1 3.95Å; L120-I123 WeakPolarHBondContact O-CB 3.35Å; L120-I123 PolarHBondContact O-N 3.49Å; L120-I123 VanDerWaalsContact O-N 3.09Å; D121-I123 VanDerWaalsContact C-N 3.25Å; D121-I123 PolarHBondContact O-N 3.03Å; I123-W125 HydrophobicContact CG2-CD2 4.46Å; I123-W125 HydrophobicContact CG2-CZ2 4.48Å; I123-W125 PolarHBondContact O-N 3.22Å; I123-I128 HydrophobicContact CG2-CD1 3.35Å
124D79.4Confident75.9Confident90 Ų90117.3 Ų117.348%0.48159%0.588SS.*  trans-81.890.1175.7-74.6-32.8000111.7V126 K127 I128D124-V126 PolarHBondContact O-N 3.41Å; D124-V126 VanDerWaalsContact O-N 3.11Å; D124-K127 HydrophobicContact CB-CB 4.21Å; D124-K127 HydrophobicContact CB-CD 3.82Å; D124-K127 HydrophobicContact CB-CG 3.97Å; D124-K127 PolarHBondContact O-N 2.72Å; D124-K127 VanDerWaalsContact OD2-CE 3.26Å; D124-K127 WeakPolarHBondContact OD2-CE 3.33Å; D124-K127 IonicContact OD2-NZ 2.75Å; D124-K127 PolarHBondContact OD2-NZ 2.95Å; D124-I128 PolarHBondContact O-N 2.85Å
125W79.5Confident75.6Confident159 Ų159118.2 Ų118.260%0.60259%0.592SS**Hα-helixtrans-56.3-29.2179.5-59.398.5000114.6L120 I123 I128 R129L120-W125 HydrophobicContact CD2-CZ2 4.24Å; I123-W125 HydrophobicContact CG2-CD2 4.46Å; I123-W125 HydrophobicContact CG2-CZ2 4.48Å; I123-W125 PolarHBondContact O-N 3.22Å; W125-I128 HydrophobicContact CE3-CD1 4.25Å; W125-I128 PolarHBondContact O-N 3.33Å; W125-R129 WeakPolarHBondContact O-CB 3.42Å; W125-R129 PolarHBondContact O-N 2.86Å
126V78.8Confident74.8Confident104 Ų104123.4 Ų123.463%0.6360%0.603SS**Hα-helixtrans-63.7-44176.5178.40000110.8D124 I128 R129 E130D124-V126 PolarHBondContact O-N 3.41Å; D124-V126 VanDerWaalsContact O-N 3.11Å; V126-I128 VanDerWaalsContact C-N 3.27Å; V126-I128 PolarHBondContact O-N 3.46Å; V126-R129 PolarHBondContact O-N 3.37Å; V126-E130 WeakPolarHBondContact O-CG 3.36Å; V126-E130 PolarHBondContact O-N 3.46Å
127K77.7Confident74.1Confident137 Ų137119.9 Ų119.960%0.59659%0.594SS**Hα-helixtrans-65.4-34.3178-66.5179.9-176.8156.70111.6D124 R131D124-K127 HydrophobicContact CB-CB 4.21Å; D124-K127 HydrophobicContact CB-CD 3.82Å; D124-K127 HydrophobicContact CB-CG 3.97Å; D124-K127 PolarHBondContact O-N 2.72Å; D124-K127 VanDerWaalsContact OD2-CE 3.26Å; D124-K127 WeakPolarHBondContact OD2-CE 3.33Å; D124-K127 IonicContact OD2-NZ 2.75Å; D124-K127 PolarHBondContact OD2-NZ 2.95Å; K127-R131 PolarHBondContact O-N 2.94Å
128I73.6Confident72.9Confident91 Ų91119.5 Ų119.547%0.46760%0.603SS.*Hα-helixtrans-70.6-44.4176.7-61.1173.8000110.6I123 D124 W125 V126 E130 R131I123-I128 HydrophobicContact CG2-CD1 3.35Å; D124-I128 PolarHBondContact O-N 2.85Å; W125-I128 HydrophobicContact CE3-CD1 4.25Å; W125-I128 PolarHBondContact O-N 3.33Å; V126-I128 VanDerWaalsContact C-N 3.27Å; V126-I128 PolarHBondContact O-N 3.46Å; I128-E130 VanDerWaalsContact C-N 3.35Å; I128-E130 PolarHBondContact O-N 3.32Å; I128-R131 PolarHBondContact O-N 3.48Å
129R76.1Confident71.4Confident225 Ų225116.7 Ų116.785%0.84958%0.583SS**Hα-helixtrans-70.9-30.4-177.4-164.9166.377.1158.33.2113.1W125 V126 R131W125-R129 WeakPolarHBondContact O-CB 3.42Å; W125-R129 PolarHBondContact O-N 2.86Å; V126-R129 PolarHBondContact O-N 3.37Å; R129-R131 VanDerWaalsContact C-N 3.33Å
130E74.5Confident69.9Low159 Ų159110 Ų11074%0.74356%0.562SS**Hα-helixtrans-80.1-11.4174.8-67.8-156.5-179.900113.7V126 I128 P132V126-E130 WeakPolarHBondContact O-CG 3.36Å; V126-E130 PolarHBondContact O-N 3.46Å; I128-E130 VanDerWaalsContact C-N 3.35Å; I128-E130 PolarHBondContact O-N 3.32Å; E130-P132 WeakPolarHBondContact O-CD 3.32Å
131R64.7Low68.6Low104 Ų104111.5 Ų111.539%0.39258%0.577SS.*SBendtrans-69114.3173.3-87.7-178.8-173.9-174.70.4109.2K127 I128 R129 D140K127-R131 PolarHBondContact O-N 2.94Å; I128-R131 PolarHBondContact O-N 3.48Å; R129-R131 VanDerWaalsContact C-N 3.33Å; R131-D140 IonicContact CZ-OD1 3.64Å; R131-D140 IonicContact CZ-OD2 2.68Å; R131-D140 IonicContact NH1-OD1 2.73Å; R131-D140 IonicContact NH1-OD2 3.6Å; R131-D140 PolarHBondContact NH1-OD2 2.57Å; R131-D140 IonicContact NH2-OD1 3.64Å; R131-D140 PolarHBondContact NH2-OD1 2.88Å; R131-D140 IonicContact NH2-OD2 3.68Å
132P73.8Confident67.2Low68 Ų68113.1 Ų113.144%0.44258%0.581SS.*  trans-65.1144.6179.125.2-31.4000110.8E130 G134 Q135E130-P132 WeakPolarHBondContact O-CD 3.32Å; P132-G134 PolarHBondContact O-N 2.93Å; P132-Q135 HydrophobicContact CG-CB 3.89Å; P132-Q135 PolarHBondContact O-N 3.27Å
133P64.2Low65.8Low142 Ų142110.9 Ų110.992%0.92257%0.566SS**THydrogen-bonded Turntrans-62.6104.9179.426.1-33.4000109.4
134G66.8Low64.3Low79 Ų79116 Ų11681%0.81459%0.589SS**THydrogen-bonded Turntrans129.5-18.1-177.400000114.1P132 R136P132-G134 PolarHBondContact O-N 2.93Å; G134-R136 VanDerWaalsContact C-N 3.29Å; G134-R136 PolarHBondContact O-N 3.12Å
135Q63.1Low63Low108 Ų108119.2 Ų119.251%0.50561%0.606SS.*  trans-94.258.9174-154.5171.551.800110.2P132 Q137P132-Q135 HydrophobicContact CG-CB 3.89Å; P132-Q135 PolarHBondContact O-N 3.27Å; Q135-Q137 VanDerWaalsContact C-N 3.29Å; Q135-Q137 HydrophobicContact CG-CG 4.32Å; Q135-Q137 PolarHBondContact O-N 3.22Å; Q135-Q137 VanDerWaalsContact O-N 3.09Å
136R57.1Low61.8Low235 Ų235116.3 Ų116.389%0.88761%0.611SS**  trans-68.9100.9153.1-81.1-171.6179.495.90.2104.8G134 A138G134-R136 VanDerWaalsContact C-N 3.29Å; G134-R136 PolarHBondContact O-N 3.12Å; R136-A138 PolarHBondContact O-N 2.91Å; R136-A138 VanDerWaalsContact O-N 3.14Å
137Q57.4Low60.4Low90 Ų90117.5 Ų117.542%0.42161%0.613SS.*  trans-60.7122.1170-62.6-176.39.400105.7Q135 S139 D140Q135-Q137 VanDerWaalsContact C-N 3.29Å; Q135-Q137 HydrophobicContact CG-CG 4.32Å; Q135-Q137 PolarHBondContact O-N 3.22Å; Q135-Q137 VanDerWaalsContact O-N 3.09Å; Q137-S139 WeakPolarHBondContact CB-OG 3Å; Q137-S139 PolarHBondContact O-N 3.47Å; Q137-S139 VanDerWaalsContact O-N 3.08Å; Q137-S139 PolarHBondContact OE1-OG 3.14Å; Q137-D140 WeakPolarHBondContact O-CB 3.36Å; Q137-D140 PolarHBondContact O-N 3.01Å
138A54.8Low59.1Low79 Ų79114.2 Ų114.265%0.65362%0.617SS**Hα-helixtrans-57.3-18.8171.400000111.4R136 D140 S141R136-A138 PolarHBondContact O-N 2.91Å; R136-A138 VanDerWaalsContact O-N 3.14Å; A138-D140 VanDerWaalsContact C-N 3.31Å; A138-D140 PolarHBondContact O-N 3.43Å; A138-S141 PolarHBondContact O-N 2.87Å
139S52.3Low58.2Low37 Ų37114.9 Ų114.926%0.25962%0.619SS.*Hα-helixtrans-67.1-26.7170.866.20000113.3Q137 S141 E142 E143Q137-S139 WeakPolarHBondContact CB-OG 3Å; Q137-S139 PolarHBondContact O-N 3.47Å; Q137-S139 VanDerWaalsContact O-N 3.08Å; Q137-S139 PolarHBondContact OE1-OG 3.14Å; S139-S141 PolarHBondContact O-N 3.16Å; S139-E142 CarbonylContact O-C 3.43Å; S139-E142 PolarHBondContact O-N 3.31Å; S139-E142 VanDerWaalsContact O-N 3.08Å; S139-E143 WeakPolarHBondContact CB-OE1 3.41Å; S139-E143 WeakPolarHBondContact O-CB 3.34Å; S139-E143 WeakPolarHBondContact O-CG 3.21Å; S139-E143 PolarHBondContact O-N 3.42Å; S139-E143 PolarHBondContact OG-OE1 2.95Å
140D51.8Low57.3Low54 Ų54109 Ų10929%0.28961%0.608SS.*Hα-helixtrans-65-33.8177.5-146.547.7000110.7R131 Q137 A138 E142 E144R131-D140 IonicContact CZ-OD1 3.64Å; R131-D140 IonicContact CZ-OD2 2.68Å; R131-D140 IonicContact NH1-OD1 2.73Å; R131-D140 IonicContact NH1-OD2 3.6Å; R131-D140 PolarHBondContact NH1-OD2 2.57Å; R131-D140 IonicContact NH2-OD1 3.64Å; R131-D140 PolarHBondContact NH2-OD1 2.88Å; R131-D140 IonicContact NH2-OD2 3.68Å; Q137-D140 WeakPolarHBondContact O-CB 3.36Å; Q137-D140 PolarHBondContact O-N 3.01Å; A138-D140 VanDerWaalsContact C-N 3.31Å; A138-D140 PolarHBondContact O-N 3.43Å; D140-E142 VanDerWaalsContact C-N 3.34Å; D140-E144 PolarHBondContact O-N 3.16Å
141S52.5Low56.7Low89 Ų89105.8 Ų105.862%0.62260%0.603SS**Hα-helixtrans-70.1-30.1174.1-58.30000112.8A138 S139A138-S141 PolarHBondContact O-N 2.87Å; S139-S141 PolarHBondContact O-N 3.16Å
142E50Low57Low143 Ų143105.1 Ų105.167%0.66861%0.605SS**Hα-helixtrans-87.2-28176.5-62.5-17616300112.1S139 D140 S146S139-E142 CarbonylContact O-C 3.43Å; S139-E142 PolarHBondContact O-N 3.31Å; S139-E142 VanDerWaalsContact O-N 3.08Å; D140-E142 VanDerWaalsContact C-N 3.34Å; E142-S146 WeakPolarHBondContact O-CB 3.5Å; E142-S146 PolarHBondContact O-N 2.91Å
143E50.5Low57.5Low86 Ų86104.9 Ų104.940%0.40261%0.605SS.*Hα-helixtrans-73.5-43.7177.5-75176-141.300109.8S139 D145 S146 L147S139-E143 WeakPolarHBondContact CB-OE1 3.41Å; S139-E143 WeakPolarHBondContact O-CB 3.34Å; S139-E143 WeakPolarHBondContact O-CG 3.21Å; S139-E143 PolarHBondContact O-N 3.42Å; S139-E143 PolarHBondContact OG-OE1 2.95Å; E143-D145 PolarHBondContact O-N 3.18Å; E143-S146 CarbonylContact O-C 3.55Å; E143-S146 PolarHBondContact O-N 3.29Å; E143-L147 HydrophobicContact CB-CD1 4.02Å; E143-L147 HydrophobicContact CB-CG 4Å; E143-L147 WeakPolarHBondContact O-CA 3.18Å; E143-L147 WeakPolarHBondContact O-CB 3.37Å; E143-L147 WeakPolarHBondContact O-CD1 3.42Å; E143-L147 WeakPolarHBondContact O-CG 3.2Å; E143-L147 PolarHBondContact O-N 3.35Å
144E51.7Low58.4Low157 Ų157100 Ų10073%0.73458%0.577SS**Hα-helixtrans-59-33.9175.7-71.6-148.9148.300113.3D140 S146D140-E144 PolarHBondContact O-N 3.16Å; E144-S146 VanDerWaalsContact C-N 3.35Å
145D51.6Low59.4Low157 Ų15799.5 Ų99.584%0.8455%0.553SS**Hα-helixtrans-78-17174.7-77.3-24.2000113.6E143E143-D145 PolarHBondContact O-N 3.18Å
146S53.7Low60.6Low99 Ų9996.1 Ų96.169%0.69254%0.544SS*.Hα-helixtrans-127.96.6-169-160.90000114.7E142 E143 E144 G148E142-S146 WeakPolarHBondContact O-CB 3.5Å; E142-S146 PolarHBondContact O-N 2.91Å; E143-S146 CarbonylContact O-C 3.55Å; E143-S146 PolarHBondContact O-N 3.29Å; E144-S146 VanDerWaalsContact C-N 3.35Å; S146-G148 PolarHBondContact O-N 3.08Å
147L50.1Low62.2Low129 Ų12985 Ų8568%0.67550%0.502SS*.SBendtrans-75.885.6179.8-83.4163.5000110.5E143E143-L147 HydrophobicContact CB-CD1 4.02Å; E143-L147 HydrophobicContact CB-CG 4Å; E143-L147 WeakPolarHBondContact O-CA 3.18Å; E143-L147 WeakPolarHBondContact O-CB 3.37Å; E143-L147 WeakPolarHBondContact O-CD1 3.42Å; E143-L147 WeakPolarHBondContact O-CG 3.2Å; E143-L147 PolarHBondContact O-N 3.35Å
148G50.6Low63.7Low67 Ų6780.8 Ų80.869%0.69148%0.482SS*.SBendtrans108.80.5141.400000118.1S146 T150S146-G148 PolarHBondContact O-N 3.08Å; G148-T150 PolarHBondContact O-N 2.84Å
149Q55.7Low65.5Low106 Ų10682.3 Ų82.350%0.49548%0.476SS..  trans-83.2100.8172.6-96.3151.925.700110.5S151 Q208Q149-S151 VanDerWaalsContact C-N 3.29Å; Q149-S151 WeakPolarHBondContact O-CA 3.45Å; Q149-S151 PolarHBondContact O-N 3.35Å; Q149-Q208 HydrophobicContact CB-CG 3.96Å; Q149-Q208 HydrophobicContact CG-CG 3.65Å
150T55.8Low67.2Low100 Ų10081.3 Ų81.361%0.61347%0.471SS*.  trans-46.198.7163.651.70000107.6G148 M152 Q208G148-T150 PolarHBondContact O-N 2.84Å; T150-M152 PolarHBondContact O-N 2.89Å; T150-M152 WeakPolarHBondContact OG1-CE 3.18Å; T150-Q208 PolarHBondContact O-OE1 2.87Å
151S62Low69.1Low92 Ų9278.7 Ų78.764%0.64346%0.457SS*.  trans-77.381.3-165.763.10000108Q149 R212Q149-S151 VanDerWaalsContact C-N 3.29Å; Q149-S151 WeakPolarHBondContact O-CA 3.45Å; Q149-S151 PolarHBondContact O-N 3.35Å; S151-R212 VanDerWaalsContact CB-NH2 3.33Å; S151-R212 PolarHBondContact O-NH2 2.87Å
152M71Confident70.9Confident91 Ų9175.8 Ų75.845%0.44844%0.435SS..  trans-51.2144.3176.5-65.2-66.9143.600109.2T150 A156 L157 R212T150-M152 PolarHBondContact O-N 2.89Å; T150-M152 WeakPolarHBondContact OG1-CE 3.18Å; M152-A156 HydrophobicContact CB-CB 4.3Å; M152-L157 HydrophobicContact CB-CD2 3.91Å; M152-L157 HydrophobicContact CB-CG 4.02Å; M152-R212 PolarHBondContact O-NH2 2.88Å
153S85.1Confident72.8Confident63 Ų6377 Ų7744%0.44144%0.44SS..  trans-52.4147.1178.467.70000110.6Q155 A156 L157S153-Q155 PolarHBondContact O-N 2.87Å; S153-Q155 VanDerWaalsContact O-N 3.08Å; S153-A156 PolarHBondContact O-N 3.16Å; S153-A156 WeakPolarHBondContact OG-CB 3.42Å; S153-A156 PolarHBondContact OG-N 3.44Å; S153-L157 PolarHBondContact O-N 3.47Å
154A82.4Confident74.6Confident39 Ų3974.6 Ų74.632%0.32243%0.43SS..Hα-helixtrans-54.7-33.4-178.200000112.2L158 L232A154-L158 WeakPolarHBondContact O-CD1 3.39Å; A154-L158 VanDerWaalsContact O-CG 3.31Å; A154-L158 WeakPolarHBondContact O-CG 3.39Å; A154-L158 PolarHBondContact O-N 3.19Å; A154-L158 VanDerWaalsContact O-N 3.08Å; A154-L232 HydrophobicContact CB-CD2 3.9Å
155Q87.2Confident76.5Confident69 Ų6967.4 Ų67.432%0.32240%0.396SS..Hα-helixtrans-64.3-49.3174.2-66.5165.1-2600111.6S153 L157 L158 E159 L229 L232S153-Q155 PolarHBondContact O-N 2.87Å; S153-Q155 VanDerWaalsContact O-N 3.08Å; Q155-L157 VanDerWaalsContact C-N 3.3Å; Q155-L157 PolarHBondContact O-N 3.34Å; Q155-L158 WeakPolarHBondContact O-CB 3.49Å; Q155-L158 PolarHBondContact O-N 3.24Å; Q155-L158 VanDerWaalsContact O-N 3.16Å; Q155-E159 WeakPolarHBondContact O-CG 3.44Å; Q155-E159 PolarHBondContact O-N 3.5Å; Q155-L229 HydrophobicContact CB-CD1 3.98Å; Q155-L229 HydrophobicContact CG-CD1 4.15Å; Q155-L232 HydrophobicContact CG-CB 4.47Å
156A89.4Confident78.3Confident36 Ų3663.9 Ų63.930%0.29838%0.377SS..Hα-helixtrans-62.1-36.2177.900000112.7M152 S153 G160M152-A156 HydrophobicContact CB-CB 4.3Å; S153-A156 PolarHBondContact O-N 3.16Å; S153-A156 WeakPolarHBondContact OG-CB 3.42Å; S153-A156 PolarHBondContact OG-N 3.44Å; A156-G160 PolarHBondContact O-N 3.2Å
157L89.6Confident79.8Confident1 Ų163.3 Ų63.31%0.00537%0.371CS..Hα-helixtrans-64.1-45173.7-68.4174000111.8M152 S153 Q155 G160 L161 L205 Q208 M209M152-L157 HydrophobicContact CB-CD2 3.91Å; M152-L157 HydrophobicContact CB-CG 4.02Å; S153-L157 PolarHBondContact O-N 3.47Å; Q155-L157 VanDerWaalsContact C-N 3.3Å; Q155-L157 PolarHBondContact O-N 3.34Å; L157-G160 PolarHBondContact O-N 3.43Å; L157-L161 WeakPolarHBondContact O-CG 3.15Å; L157-L161 PolarHBondContact O-N 3.22Å; L157-L205 HydrophobicContact CD2-CD2 3.5Å; L157-L205 VanDerWaalsContact CD2-CD2 3.5Å; L157-Q208 HydrophobicContact CD1-CB 4.07Å; L157-Q208 HydrophobicContact CD2-CB 3.85Å; L157-M209 HydrophobicContact CB-CE 3.9Å
158L90.3Very high81.4Confident2 Ų267.6 Ų67.61%0.0138%0.378CS..Hα-helixtrans-63.6-44.6177.3-76.7161.3000111.4A154 Q155 L161 L162 M209 L225 R228 L229 L232A154-L158 WeakPolarHBondContact O-CD1 3.39Å; A154-L158 VanDerWaalsContact O-CG 3.31Å; A154-L158 WeakPolarHBondContact O-CG 3.39Å; A154-L158 PolarHBondContact O-N 3.19Å; A154-L158 VanDerWaalsContact O-N 3.08Å; Q155-L158 WeakPolarHBondContact O-CB 3.49Å; Q155-L158 PolarHBondContact O-N 3.24Å; Q155-L158 VanDerWaalsContact O-N 3.16Å; L158-L161 PolarHBondContact O-N 3.03Å; L158-L162 WeakPolarHBondContact O-CB 3.32Å; L158-L162 WeakPolarHBondContact O-CG 3.4Å; L158-L162 PolarHBondContact O-N 2.96Å; L158-M209 HydrophobicContact CD2-CE 3.74Å; L158-M209 HydrophobicContact CD2-SD 4.3Å; L158-M209 HydrophobicContact CG-CE 3.79Å; L158-L225 HydrophobicContact CD2-CB 4.12Å; L158-L225 HydrophobicContact CD2-CD2 3.52Å; L158-L225 HydrophobicContact CD2-CG 4.42Å; L158-R228 HydrophobicContact CD1-CG 4.18Å; L158-R228 HydrophobicContact CD2-CG 4.43Å; L158-L229 HydrophobicContact CB-CB 4.29Å; L158-L229 HydrophobicContact CB-CD1 4.08Å; L158-L229 HydrophobicContact CD1-CB 4.34Å; L158-L229 HydrophobicContact CD1-CD1 4.37Å; L158-L232 HydrophobicContact CD1-CD2 4.35Å
159E91.4Very high83.2Confident112 Ų11265.8 Ų65.852%0.52335%0.352SS..Hα-helixtrans-60.8-45.3176.2-73.1172.6-172.600111.7Q155 L161 L162 E163 L229Q155-E159 WeakPolarHBondContact O-CG 3.44Å; Q155-E159 PolarHBondContact O-N 3.5Å; E159-L161 PolarHBondContact O-N 3.4Å; E159-L162 PolarHBondContact O-N 3.01Å; E159-E163 PolarHBondContact O-N 3.44Å; E159-L229 HydrophobicContact CG-CD1 4.17Å; E159-L229 HydrophobicContact CG-CD2 3.61Å
160G89.7Confident84.9Confident15 Ų1563 Ų6316%0.15534%0.342CS..Hα-helixtrans-62.5-4017600000113.2A156 L157 L164A156-G160 PolarHBondContact O-N 3.2Å; L157-G160 PolarHBondContact O-N 3.43Å; G160-L164 WeakPolarHBondContact O-CG 3.17Å; G160-L164 PolarHBondContact O-N 3.47Å
161L91.1Very high86.5Confident0 Ų058.2 Ų58.20%031%0.313CS..Hα-helixtrans-64.3-43.8173.1-75.6179.5000111.3L157 L158 E159 E163 L164 L165 L202 L205 M209 L225L157-L161 WeakPolarHBondContact O-CG 3.15Å; L157-L161 PolarHBondContact O-N 3.22Å; L158-L161 PolarHBondContact O-N 3.03Å; E159-L161 PolarHBondContact O-N 3.4Å; L161-E163 VanDerWaalsContact C-N 3.31Å; L161-E163 PolarHBondContact O-N 3.21Å; L161-L164 PolarHBondContact O-N 2.9Å; L161-L165 HydrophobicContact CB-CD1 4.41Å; L161-L165 WeakPolarHBondContact O-CD1 3.29Å; L161-L165 WeakPolarHBondContact O-CG 3.49Å; L161-L165 PolarHBondContact O-N 2.97Å; L161-L165 VanDerWaalsContact O-N 3.16Å; L161-L202 HydrophobicContact CD2-CD1 3.55Å; L161-L205 HydrophobicContact CD2-CB 3.84Å; L161-L205 HydrophobicContact CG-CB 4.2Å; L161-M209 HydrophobicContact CD1-CE 3.28Å; L161-M209 HydrophobicContact CD1-SD 3.63Å; L161-M209 HydrophobicContact CG-CE 4.31Å; L161-L225 HydrophobicContact CB-CD1 4.21Å; L161-L225 HydrophobicContact CD1-CD1 4.33Å; L161-L225 HydrophobicContact CD1-CD2 4.26Å
162L89.8Confident87.8Confident28 Ų2855.2 Ų55.215%0.14729%0.294CS..Hα-helixtrans-62.8-35.8-179.3-74.7169.9000112.9L158 E159 L164 R222 L225 A226 L229L158-L162 WeakPolarHBondContact O-CB 3.32Å; L158-L162 WeakPolarHBondContact O-CG 3.4Å; L158-L162 PolarHBondContact O-N 2.96Å; E159-L162 PolarHBondContact O-N 3.01Å; L162-L164 VanDerWaalsContact C-N 3.3Å; L162-L164 PolarHBondContact O-N 3.33Å; L162-R222 HydrophobicContact CD2-CB 4.47Å; L162-R222 HydrophobicContact CD2-CG 3.57Å; L162-R222 WeakPolarHBondContact CD2-O 3.44Å; L162-L225 HydrophobicContact CD2-CB 3.82Å; L162-L225 HydrophobicContact CG-CB 4.23Å; L162-A226 HydrophobicContact CD1-CB 4.23Å; L162-A226 HydrophobicContact CD2-CB 3.98Å; L162-L229 HydrophobicContact CD1-CB 4.44Å; L162-L229 HydrophobicContact CD1-CD2 3.72Å
163E90.2Very high88.7Confident169 Ų16951.9 Ų51.979%0.7928%0.282SS*.Hα-helixtrans-65.2-34.1176.5-168.4-175.6163.300112.3E159 L161E159-E163 PolarHBondContact O-N 3.44Å; L161-E163 VanDerWaalsContact C-N 3.31Å; L161-E163 PolarHBondContact O-N 3.21Å
164L88.5Confident88.8Confident35 Ų3548.9 Ų48.918%0.18326%0.261CS..Hα-helixtrans-87.4-17.3-176.4-63.4175.9000113.8G160 L161 L162 R198 R201 L202 L205G160-L164 WeakPolarHBondContact O-CG 3.17Å; G160-L164 PolarHBondContact O-N 3.47Å; L161-L164 PolarHBondContact O-N 2.9Å; L162-L164 VanDerWaalsContact C-N 3.3Å; L162-L164 PolarHBondContact O-N 3.33Å; L164-R198 HydrophobicContact CD2-CB 4.44Å; L164-R198 HydrophobicContact CD2-CG 4.1Å; L164-R201 HydrophobicContact CD1-CB 4.25Å; L164-L202 HydrophobicContact CB-CD1 4.09Å; L164-L202 HydrophobicContact CD1-CB 4.01Å; L164-L202 HydrophobicContact CD1-CD1 4.2Å; L164-L205 HydrophobicContact CD1-CD1 4.13Å
165L91.3Very high89.2Confident6 Ų648.9 Ų48.93%0.03126%0.255CS..PPolyproline II helixtrans-91.8137.5-175.8-71168.1000113.5L161 V171 A174 R222 L225L161-L165 HydrophobicContact CB-CD1 4.41Å; L161-L165 WeakPolarHBondContact O-CD1 3.29Å; L161-L165 WeakPolarHBondContact O-CG 3.49Å; L161-L165 PolarHBondContact O-N 2.97Å; L161-L165 VanDerWaalsContact O-N 3.16Å; L165-V171 HydrophobicContact CD1-CG2 3.98Å; L165-V171 HydrophobicContact CD2-CG2 4.19Å; L165-A174 HydrophobicContact CD2-CB 3.41Å; L165-A174 VanDerWaalsContact CD2-CB 3.41Å; L165-R222 HydrophobicContact CB-CB 4.16Å; L165-R222 HydrophobicContact CB-CG 4.33Å; L165-R222 HydrophobicContact CD1-CB 4.5Å; L165-L225 HydrophobicContact CD1-CD1 3.27Å
166L88.5Confident89.1Confident83 Ų8354.4 Ų54.444%0.43527%0.273SS..PPolyproline II helixtrans-76.9161170.1-70.4161.7000111.7R168 E169L166-R168 PolarHBondContact O-N 3Å; L166-E169 HydrophobicContact CB-CB 4.01Å; L166-E169 VanDerWaalsContact CB-OE2 3.32Å; L166-E169 WeakPolarHBondContact CB-OE2 3.39Å; L166-E169 PolarHBondContact N-OE2 3.12Å; L166-E169 WeakPolarHBondContact O-CB 3.45Å; L166-E169 PolarHBondContact O-N 2.99Å
167P86.9Confident88.9Confident86 Ų8657.5 Ų57.556%0.55828%0.277SS*.THydrogen-bonded Turntrans-54.8135.2172.6-2434.4000111.9E169P167-E169 PolarHBondContact O-N 3.39Å
168R83.9Confident88.6Confident220 Ų22058.4 Ų58.483%0.8328%0.282SS*.THydrogen-bonded Turntrans56.911.6-178.3-56-17864.9-175.20.6115.9L166L166-R168 PolarHBondContact O-N 3Å
169E88.4Confident88Confident28 Ų2860 Ų6013%0.13130%0.3CS..  trans-86.8148.1175.6-163.8177.3-149.500110.6L166 P167 G173 A174 R177 T221 R222L166-E169 HydrophobicContact CB-CB 4.01Å; L166-E169 VanDerWaalsContact CB-OE2 3.32Å; L166-E169 WeakPolarHBondContact CB-OE2 3.39Å; L166-E169 PolarHBondContact N-OE2 3.12Å; L166-E169 WeakPolarHBondContact O-CB 3.45Å; L166-E169 PolarHBondContact O-N 2.99Å; P167-E169 PolarHBondContact O-N 3.39Å; E169-G173 VanDerWaalsContact OE1-C 3.3Å; E169-A174 HydrophobicContact CG-CB 4.35Å; E169-A174 VanDerWaalsContact OE1-CA 3.29Å; E169-A174 WeakPolarHBondContact OE1-CA 3.47Å; E169-A174 PolarHBondContact OE1-N 2.72Å; E169-R177 IonicContact OE1-CZ 3.37Å; E169-R177 IonicContact OE1-NE 3.69Å; E169-R177 PolarHBondContact OE1-NE 2.82Å; E169-R177 IonicContact OE1-NH2 2.9Å; E169-R177 IonicContact OE2-CZ 3.5Å; E169-R177 IonicContact OE2-NE 3.42Å; E169-R177 PolarHBondContact OE2-NE 3.28Å; E169-R177 IonicContact OE2-NH2 3.98Å; E169-R177 PolarHBondContact OE2-NH2 2.94Å; E169-T221 WeakPolarHBondContact O-CA 3.46Å; E169-R222 PolarHBondContact O-N 2.79Å; E169-R222 VanDerWaalsContact O-N 3.12Å
170T91.5Very high86.9Confident48 Ų4858.3 Ų58.329%0.29431%0.305SS..BIsolated β-bridgetrans-91.5157.4169.958.50000110.7A172 G173 A174 E220 T221T170-A172 VanDerWaalsContact C-N 3.27Å; T170-A172 PolarHBondContact O-N 3.08Å; T170-G173 CarbonylContact O-C 3.41Å; T170-G173 WeakPolarHBondContact O-CA 3.44Å; T170-G173 PolarHBondContact O-N 3.02Å; T170-G173 PolarHBondContact OG1-N 3.46Å; T170-G173 VanDerWaalsContact OG1-N 3.09Å; T170-A174 PolarHBondContact O-N 2.87Å; T170-E220 WeakPolarHBondContact CA-O 3.21Å; T170-T221 HydrophobicContact CG2-CG2 3.87Å
171V89Confident85.2Confident0 Ų067.6 Ų67.60%034%0.335CS..Hα-helixtrans-55.9-42.2175.8175.20000111.5L165 G173 A174 L175 A206 V217 Y218 E220 L225L165-V171 HydrophobicContact CD1-CG2 3.98Å; L165-V171 HydrophobicContact CD2-CG2 4.19Å; V171-G173 VanDerWaalsContact C-N 3.32Å; V171-G173 PolarHBondContact O-N 2.64Å; V171-A174 PolarHBondContact O-N 2.89Å; V171-L175 HydrophobicContact CG1-CD1 4.28Å; V171-L175 WeakPolarHBondContact O-CG 3.34Å; V171-L175 PolarHBondContact O-N 2.9Å; V171-A206 HydrophobicContact CG1-CB 4.2Å; V171-V217 WeakPolarHBondContact CB-O 3.38Å; V171-V217 WeakPolarHBondContact CG2-O 3.35Å; V171-Y218 HydrophobicContact CG1-CD1 4.18Å; V171-E220 PolarHBondContact N-O 2.84Å; V171-L225 HydrophobicContact CG2-CD1 4.08Å
172A89.8Confident83.1Confident29 Ų2971.2 Ų71.224%0.2437%0.373CS..Hα-helixtrans-63.6-35.4173.400000113.1T170 R176 Y218T170-A172 VanDerWaalsContact C-N 3.27Å; T170-A172 PolarHBondContact O-N 3.08Å; A172-R176 VanDerWaalsContact O-CB 3.3Å; A172-R176 WeakPolarHBondContact O-CB 3.23Å; A172-R176 PolarHBondContact O-N 2.98Å; A172-Y218 WeakPolarHBondContact CB-O 3.31Å; A172-Y218 PolarHBondContact N-O 3.02Å
173G89.2Confident80.9Confident20 Ų2074.1 Ų74.121%0.20641%0.409CS..Hα-helixtrans-63.6-44.517300000112E169 T170 V171 R176 R177E169-G173 VanDerWaalsContact OE1-C 3.3Å; T170-G173 CarbonylContact O-C 3.41Å; T170-G173 WeakPolarHBondContact O-CA 3.44Å; T170-G173 PolarHBondContact O-N 3.02Å; T170-G173 PolarHBondContact OG1-N 3.46Å; T170-G173 VanDerWaalsContact OG1-N 3.09Å; V171-G173 VanDerWaalsContact C-N 3.32Å; V171-G173 PolarHBondContact O-N 2.64Å; G173-R176 WeakPolarHBondContact O-CB 3.14Å; G173-R176 PolarHBondContact O-N 2.99Å; G173-R177 WeakPolarHBondContact O-CB 3.22Å; G173-R177 PolarHBondContact O-N 2.75Å
174A87.9Confident78.7Confident0 Ų069.1 Ų69.10%040%0.403CS..Hα-helixtrans-66.1-42.7177.700000112.3L165 E169 T170 V171 R176 R177 L178 L202L165-A174 HydrophobicContact CD2-CB 3.41Å; L165-A174 VanDerWaalsContact CD2-CB 3.41Å; E169-A174 HydrophobicContact CG-CB 4.35Å; E169-A174 VanDerWaalsContact OE1-CA 3.29Å; E169-A174 WeakPolarHBondContact OE1-CA 3.47Å; E169-A174 PolarHBondContact OE1-N 2.72Å; T170-A174 PolarHBondContact O-N 2.87Å; V171-A174 PolarHBondContact O-N 2.89Å; A174-R176 VanDerWaalsContact C-N 3.31Å; A174-R176 PolarHBondContact O-N 3.38Å; A174-R177 PolarHBondContact O-N 3.25Å; A174-L178 VanDerWaalsContact O-CB 3.3Å; A174-L178 WeakPolarHBondContact O-CB 3.42Å; A174-L178 VanDerWaalsContact O-CG 3.29Å; A174-L178 WeakPolarHBondContact O-CG 3.29Å; A174-L178 PolarHBondContact O-N 3.29Å; A174-L202 HydrophobicContact CB-CD2 3.65Å
175L89Confident76.5Confident39 Ų3978 Ų7820%0.20444%0.44CS..Hα-helixtrans-60-42.1171.9-74.7168.5000111.3V171 G179 L199 L202 Y218V171-L175 HydrophobicContact CG1-CD1 4.28Å; V171-L175 WeakPolarHBondContact O-CG 3.34Å; V171-L175 PolarHBondContact O-N 2.9Å; L175-G179 VanDerWaalsContact O-CA 3.27Å; L175-G179 WeakPolarHBondContact O-CA 3.21Å; L175-G179 PolarHBondContact O-N 3.49Å; L175-L199 HydrophobicContact CD2-CD2 4.11Å; L175-L202 HydrophobicContact CD2-CB 4.27Å; L175-L202 HydrophobicContact CD2-CD2 3.76Å; L175-L202 HydrophobicContact CD2-CG 3.99Å; L175-L202 HydrophobicContact CG-CD2 3.73Å; L175-L202 HydrophobicContact CG-CG 4.21Å; L175-Y218 HydrophobicContact CD1-CD1 3.83Å; L175-Y218 HydrophobicContact CD1-CE1 3.56Å
176R87Confident74.2Confident186 Ų18680.9 Ų80.970%0.70247%0.471SS*.Hα-helixtrans-65.3-43.1176.1-172.5-177.5-53.3-82.2-5.9112.2A172 G173 A174 A180A172-R176 VanDerWaalsContact O-CB 3.3Å; A172-R176 WeakPolarHBondContact O-CB 3.23Å; A172-R176 PolarHBondContact O-N 2.98Å; G173-R176 WeakPolarHBondContact O-CB 3.14Å; G173-R176 PolarHBondContact O-N 2.99Å; A174-R176 VanDerWaalsContact C-N 3.31Å; A174-R176 PolarHBondContact O-N 3.38Å; R176-A180 WeakPolarHBondContact O-CA 3.38Å; R176-A180 WeakPolarHBondContact O-CB 3.43Å; R176-A180 PolarHBondContact O-N 3.3Å
177R84.7Confident72.1Confident100 Ų10088.7 Ų88.738%0.37750%0.495SS..Hα-helixtrans-65.2-45.9179.6172.3177.853.185.5-7.5111.8E169 G173 A174E169-R177 IonicContact OE1-CZ 3.37Å; E169-R177 IonicContact OE1-NE 3.69Å; E169-R177 PolarHBondContact OE1-NE 2.82Å; E169-R177 IonicContact OE1-NH2 2.9Å; E169-R177 IonicContact OE2-CZ 3.5Å; E169-R177 IonicContact OE2-NE 3.42Å; E169-R177 PolarHBondContact OE2-NE 3.28Å; E169-R177 IonicContact OE2-NH2 3.98Å; E169-R177 PolarHBondContact OE2-NH2 2.94Å; G173-R177 WeakPolarHBondContact O-CB 3.22Å; G173-R177 PolarHBondContact O-N 2.75Å; A174-R177 PolarHBondContact O-N 3.25Å
178L82.4Confident70Confident20 Ų2095 Ų9511%0.10551%0.514CS..Hα-helixtrans-74.4-33.8-179.5-68.4170.9000111.2A174 R198 L199 L202A174-L178 VanDerWaalsContact O-CB 3.3Å; A174-L178 WeakPolarHBondContact O-CB 3.42Å; A174-L178 VanDerWaalsContact O-CG 3.29Å; A174-L178 WeakPolarHBondContact O-CG 3.29Å; A174-L178 PolarHBondContact O-N 3.29Å; L178-R198 HydrophobicContact CD1-CB 4.17Å; L178-R198 HydrophobicContact CD2-CB 4.37Å; L178-L199 HydrophobicContact CB-CD1 4.36Å; L178-L199 HydrophobicContact CB-CD2 3.21Å; L178-L199 HydrophobicContact CB-CG 3.54Å; L178-L199 HydrophobicContact CD1-CD2 4.25Å; L178-L199 HydrophobicContact CG-CD2 4.37Å; L178-L199 WeakPolarHBondContact O-CD1 3.45Å; L178-L202 HydrophobicContact CD1-CD2 4.02Å
179G77.6Confident68Low37 Ų3786.7 Ų86.738%0.38150%0.496SS..Hα-helixtrans-96.4-0.7-173.200000114.8L175 R181L175-G179 VanDerWaalsContact O-CA 3.27Å; L175-G179 WeakPolarHBondContact O-CA 3.21Å; L175-G179 PolarHBondContact O-N 3.49Å; G179-R181 PolarHBondContact O-N 3.24Å
180A68.7Low65.9Low76 Ų7691.7 Ų91.763%0.62853%0.531SS*.  trans-66.775.1174.600000111.1R176R176-A180 WeakPolarHBondContact O-CA 3.38Å; R176-A180 WeakPolarHBondContact O-CB 3.43Å; R176-A180 PolarHBondContact O-N 3.3Å
181R54.4Low63.7Low209 Ų20991.5 Ų91.579%0.78954%0.539SS*.SBendtrans-108.6-7.2167.7-90.6-177.7147-151.5-5113.6G179G179-R181 PolarHBondContact O-N 3.24Å
182G46.9Very low61.6Low77 Ų7796.6 Ų96.679%0.79456%0.563SS**SBendtrans-138.3-10.6-171.600000118.6G184G182-G184 PolarHBondContact O-N 2.93Å
183G44.1Very low59.5Low89 Ų89100.9 Ų100.992%0.91859%0.588SS**SBendtrans-88.44.4-165.800000117.7
184G43.8Very low57.9Low63 Ų63101.8 Ų101.865%0.64959%0.591SS**SBendtrans-162.6123.8-174.700000112.3G182 G186G182-G184 PolarHBondContact O-N 2.93Å; G184-G186 PolarHBondContact O-N 3.09Å; G184-G186 VanDerWaalsContact O-N 3.07Å
185K42.6Very low57.1Low221 Ų221102.6 Ų102.696%0.96160%0.596SS**SBendtrans-39.7111.2174.4-77.1168.3166.5167.50111.8
186G42Very low56.8Low67 Ų67103.9 Ų103.969%0.69161%0.607SS**SBendtrans94.186.116100000114.7G184G184-G186 PolarHBondContact O-N 3.09Å; G184-G186 VanDerWaalsContact O-N 3.07Å
187R44Very low56.8Low248 Ų248100.8 Ų100.894%0.93660%0.601SS**  178.691.4127.2-94.9159.3179.1-159.8-0.7107.5G189R187-G189 PolarHBondContact O-N 3.17Å
188K44.2Very low56.9Low218 Ų218100.2 Ų100.295%0.94860%0.599SS**  trans-66.667.4157.3-75.6-177174.8178.80108
189G41Very low57.2Low45 Ų45101.2 Ų101.246%0.46460%0.604SS.*  trans-74.8135.2161.600000107.1R187 G191R187-G189 PolarHBondContact O-N 3.17Å; G189-G191 PolarHBondContact O-N 2.99Å
190P44Very low57.8Low133 Ų133105 Ų10586%0.86462%0.616SS**  trans-69.869.2163.930.6-30.9000107.5Q192P190-Q192 PolarHBondContact O-N 3.19Å
191G45.9Very low58.8Low44 Ų44109 Ų10945%0.45461%0.614SS.*  trans-79.685.3-169.200000110.3G189 S195G189-G191 PolarHBondContact O-N 2.99Å; G191-S195 PolarHBondContact O-OG 3.11Å
192Q45.1Very low60.6Low108 Ų10899 Ų9951%0.50558%0.577SS.*  trans56.5109.6161.6-160-169.1-10.600116P190 S194 S195P190-Q192 PolarHBondContact O-N 3.19Å; Q192-S194 PolarHBondContact O-N 3.21Å; Q192-S195 PolarHBondContact O-N 3.08Å; Q192-S195 PolarHBondContact O-OG 3.19Å
193P46Very low62.6Low119 Ų11997 Ų9777%0.77355%0.551SS**THydrogen-bonded Turntrans-61.2-11.3178.926.3-35.4000114.4P196P193-P196 VanDerWaalsContact O-CD 3.25Å; P193-P196 WeakPolarHBondContact O-CD 3.21Å; P193-P196 VanDerWaalsContact O-CG 3.27Å; P193-P196 WeakPolarHBondContact O-CG 3.33Å
194S54.2Low64.9Low38 Ų3893.8 Ų93.827%0.26652%0.517SS..Hα-helixtrans-79.5-15.7175.5-167.60000113.4Q192 R198Q192-S194 PolarHBondContact O-N 3.21Å; S194-R198 WeakPolarHBondContact O-CB 3.41Å; S194-R198 VanDerWaalsContact O-CG 3.23Å; S194-R198 WeakPolarHBondContact O-CG 3.35Å; S194-R198 PolarHBondContact O-N 2.75Å; S194-R198 PolarHBondContact O-NE 3.15Å; S194-R198 PolarHBondContact OG-NE 3.28Å; S194-R198 PolarHBondContact OG-NH2 3.24Å
195S71.1Confident67.2Low17 Ų1792.1 Ų92.112%0.11949%0.493CS..Hα-helixtrans-66.6-45.6176.459.50000114.2G191 Q192 Q197 R198 L199G191-S195 PolarHBondContact O-OG 3.11Å; Q192-S195 PolarHBondContact O-N 3.08Å; Q192-S195 PolarHBondContact O-OG 3.19Å; S195-Q197 PolarHBondContact O-N 3.08Å; S195-R198 PolarHBondContact O-N 3.28Å; S195-L199 WeakPolarHBondContact O-CG 3.32Å; S195-L199 PolarHBondContact O-N 3.31Å
196P83.8Confident69.4Low67 Ų6781.6 Ų81.644%0.43545%0.447SS..Hα-helixtrans-65.8-39.8179.525.4-36.8000113.3P193 R198 L199 D200P193-P196 VanDerWaalsContact O-CD 3.25Å; P193-P196 WeakPolarHBondContact O-CD 3.21Å; P193-P196 VanDerWaalsContact O-CG 3.27Å; P193-P196 WeakPolarHBondContact O-CG 3.33Å; P196-R198 VanDerWaalsContact C-N 3.33Å; P196-R198 PolarHBondContact O-N 3.38Å; P196-L199 WeakPolarHBondContact O-CB 3.28Å; P196-L199 PolarHBondContact O-N 3.31Å; P196-D200 WeakPolarHBondContact O-CB 3.46Å; P196-D200 PolarHBondContact O-N 3.39Å
197Q87.3Confident71.7Confident121 Ų12181.7 Ų81.757%0.56543%0.432SS*.Hα-helixtrans-67.4-35.9177.4-68.9-179.3-8.400112.1S195 R201S195-Q197 PolarHBondContact O-N 3.08Å; Q197-R201 WeakPolarHBondContact O-CB 3.29Å; Q197-R201 WeakPolarHBondContact O-CG 3.49Å; Q197-R201 PolarHBondContact O-N 2.85Å
198R86.5Confident73.9Confident88 Ų8871.1 Ų71.133%0.33239%0.393SS..Hα-helixtrans-69.3-36.3173.9-75.7-175.3-125.2-168.1-9.8112.2L164 L178 S194 S195 P196 L202L164-R198 HydrophobicContact CD2-CB 4.44Å; L164-R198 HydrophobicContact CD2-CG 4.1Å; L178-R198 HydrophobicContact CD1-CB 4.17Å; L178-R198 HydrophobicContact CD2-CB 4.37Å; S194-R198 WeakPolarHBondContact O-CB 3.41Å; S194-R198 VanDerWaalsContact O-CG 3.23Å; S194-R198 WeakPolarHBondContact O-CG 3.35Å; S194-R198 PolarHBondContact O-N 2.75Å; S194-R198 PolarHBondContact O-NE 3.15Å; S194-R198 PolarHBondContact OG-NE 3.28Å; S194-R198 PolarHBondContact OG-NH2 3.24Å; S195-R198 PolarHBondContact O-N 3.28Å; P196-R198 VanDerWaalsContact C-N 3.33Å; P196-R198 PolarHBondContact O-N 3.38Å; R198-L202 WeakPolarHBondContact O-CB 3.48Å; R198-L202 PolarHBondContact O-N 3.33Å
199L89.1Confident76Confident40 Ų4061 Ų6121%0.20935%0.349CS..Hα-helixtrans-58.8-53.9172.6-80.5172.6000111.3L175 L178 S195 P196 R201 L202 S203L175-L199 HydrophobicContact CD2-CD2 4.11Å; L178-L199 HydrophobicContact CB-CD1 4.36Å; L178-L199 HydrophobicContact CB-CD2 3.21Å; L178-L199 HydrophobicContact CB-CG 3.54Å; L178-L199 HydrophobicContact CD1-CD2 4.25Å; L178-L199 HydrophobicContact CG-CD2 4.37Å; L178-L199 WeakPolarHBondContact O-CD1 3.45Å; S195-L199 WeakPolarHBondContact O-CG 3.32Å; S195-L199 PolarHBondContact O-N 3.31Å; P196-L199 WeakPolarHBondContact O-CB 3.28Å; P196-L199 PolarHBondContact O-N 3.31Å; L199-R201 VanDerWaalsContact C-N 3.3Å; L199-R201 PolarHBondContact O-N 2.92Å; L199-L202 PolarHBondContact O-N 3.47Å; L199-L202 VanDerWaalsContact O-N 3.07Å; L199-S203 PolarHBondContact O-N 3.23Å; L199-S203 PolarHBondContact O-OG 3.13Å
200D89.2Confident78.3Confident118 Ų11861 Ų6163%0.63134%0.34SS*.Hα-helixtrans-60.1-41.5-177.9-174.253.9000111.6P196 S203 G204P196-D200 WeakPolarHBondContact O-CB 3.46Å; P196-D200 PolarHBondContact O-N 3.39Å; D200-S203 WeakPolarHBondContact CA-OG 3.19Å; D200-S203 PolarHBondContact O-OG 2.89Å; D200-G204 PolarHBondContact O-N 3.32Å
201R90.2Very high80.4Confident159 Ų15958.5 Ų58.560%0.633%0.331SS*.Hα-helixtrans-65-42.7172.4-70.9175.3-172.9-172.92.1112.6L164 Q197 L199 L205L164-R201 HydrophobicContact CD1-CB 4.25Å; Q197-R201 WeakPolarHBondContact O-CB 3.29Å; Q197-R201 WeakPolarHBondContact O-CG 3.49Å; Q197-R201 PolarHBondContact O-N 2.85Å; L199-R201 VanDerWaalsContact C-N 3.3Å; L199-R201 PolarHBondContact O-N 2.92Å; R201-L205 WeakPolarHBondContact O-CB 3.27Å; R201-L205 WeakPolarHBondContact O-CG 3.4Å; R201-L205 PolarHBondContact O-N 3.2Å
202L91.7Very high82.1Confident0 Ų061.7 Ų61.70%033%0.329CS..Hα-helixtrans-66.8-44.2-179.8-177.666.4000111.4L161 L164 A174 L175 L178 R198 L199 L205 A206L161-L202 HydrophobicContact CD2-CD1 3.55Å; L164-L202 HydrophobicContact CB-CD1 4.09Å; L164-L202 HydrophobicContact CD1-CB 4.01Å; L164-L202 HydrophobicContact CD1-CD1 4.2Å; A174-L202 HydrophobicContact CB-CD2 3.65Å; L175-L202 HydrophobicContact CD2-CB 4.27Å; L175-L202 HydrophobicContact CD2-CD2 3.76Å; L175-L202 HydrophobicContact CD2-CG 3.99Å; L175-L202 HydrophobicContact CG-CD2 3.73Å; L175-L202 HydrophobicContact CG-CG 4.21Å; L178-L202 HydrophobicContact CD1-CD2 4.02Å; R198-L202 WeakPolarHBondContact O-CB 3.48Å; R198-L202 PolarHBondContact O-N 3.33Å; L199-L202 PolarHBondContact O-N 3.47Å; L199-L202 VanDerWaalsContact O-N 3.07Å; L202-L205 PolarHBondContact O-N 3.48Å; L202-A206 VanDerWaalsContact O-CB 3.3Å; L202-A206 WeakPolarHBondContact O-CB 3.25Å; L202-A206 PolarHBondContact O-N 2.98Å
203S89.5Confident84.1Confident35 Ų3559.3 Ų59.325%0.24533%0.333CS..Hα-helixtrans-63.3-48.1174.752.60000110.6L199 D200 L205 A206 D207L199-S203 PolarHBondContact O-N 3.23Å; L199-S203 PolarHBondContact O-OG 3.13Å; D200-S203 WeakPolarHBondContact CA-OG 3.19Å; D200-S203 PolarHBondContact O-OG 2.89Å; S203-L205 VanDerWaalsContact C-N 3.31Å; S203-L205 PolarHBondContact O-N 3.49Å; S203-A206 PolarHBondContact O-N 2.91Å; S203-A206 VanDerWaalsContact O-N 3.08Å; S203-D207 WeakPolarHBondContact O-CB 3.3Å; S203-D207 PolarHBondContact O-N 2.98Å
204G91.7Very high85.9Confident20 Ų2055.1 Ų55.121%0.20630%0.304CS..Hα-helixtrans-61.9-33.9178.600000114D200 Q208D200-G204 PolarHBondContact O-N 3.32Å; G204-Q208 VanDerWaalsContact O-CG 3.28Å; G204-Q208 WeakPolarHBondContact O-CG 3.42Å; G204-Q208 PolarHBondContact O-N 3.03Å; G204-Q208 PolarHBondContact O-NE2 3.28Å
205L91.3Very high87.4Confident29 Ų2960 Ų6015%0.15233%0.327CS..Hα-helixtrans-73.5-38.6172.8-72.1173.1000112.2L157 L161 L164 R201 L202 S203 M209L157-L205 HydrophobicContact CD2-CD2 3.5Å; L157-L205 VanDerWaalsContact CD2-CD2 3.5Å; L161-L205 HydrophobicContact CD2-CB 3.84Å; L161-L205 HydrophobicContact CG-CB 4.2Å; L164-L205 HydrophobicContact CD1-CD1 4.13Å; R201-L205 WeakPolarHBondContact O-CB 3.27Å; R201-L205 WeakPolarHBondContact O-CG 3.4Å; R201-L205 PolarHBondContact O-N 3.2Å; L202-L205 PolarHBondContact O-N 3.48Å; S203-L205 VanDerWaalsContact C-N 3.31Å; S203-L205 PolarHBondContact O-N 3.49Å; L205-M209 PolarHBondContact O-N 2.91Å; L205-M209 VanDerWaalsContact O-N 3.11Å
206A90.1Very high88.3Confident0 Ų061.1 Ų61.10%034%0.341CS..Hα-helixtrans-65.8-44.4176.800000111.2V171 L202 S203 Q208 M209 V210 V217 Y218V171-A206 HydrophobicContact CG1-CB 4.2Å; L202-A206 VanDerWaalsContact O-CB 3.3Å; L202-A206 WeakPolarHBondContact O-CB 3.25Å; L202-A206 PolarHBondContact O-N 2.98Å; S203-A206 PolarHBondContact O-N 2.91Å; S203-A206 VanDerWaalsContact O-N 3.08Å; A206-Q208 PolarHBondContact O-N 2.81Å; A206-M209 CarbonylContact O-C 3.46Å; A206-M209 WeakPolarHBondContact O-CA 3.39Å; A206-M209 WeakPolarHBondContact O-CB 3.46Å; A206-M209 PolarHBondContact O-N 3.4Å; A206-V210 WeakPolarHBondContact O-CG2 3.29Å; A206-V210 PolarHBondContact O-N 3.04Å; A206-V217 HydrophobicContact CB-CG2 4.42Å; A206-Y218 HydrophobicContact CB-CE1 4.17Å
207D90.1Very high88.6Confident68 Ų6858 Ų5836%0.36432%0.32SS..Hα-helixtrans-62.5-43.7178.3-66.2-25.1000111.3S203 M209 V210 A211 Y218S203-D207 WeakPolarHBondContact O-CB 3.3Å; S203-D207 PolarHBondContact O-N 2.98Å; D207-M209 PolarHBondContact O-N 3.31Å; D207-V210 PolarHBondContact O-N 3.22Å; D207-V210 VanDerWaalsContact O-N 3.15Å; D207-A211 WeakPolarHBondContact O-CB 3.21Å; D207-A211 PolarHBondContact O-N 2.96Å; D207-Y218 PolarHBondContact OD1-OH 2.89Å
208Q90Very high88.8Confident26 Ų2655.5 Ų55.512%0.12131%0.306CS..Hα-helixtrans-60.3-33.2172.4-78175.57300112.8Q149 T150 L157 G204 A206 R212Q149-Q208 HydrophobicContact CB-CG 3.96Å; Q149-Q208 HydrophobicContact CG-CG 3.65Å; T150-Q208 PolarHBondContact O-OE1 2.87Å; L157-Q208 HydrophobicContact CD1-CB 4.07Å; L157-Q208 HydrophobicContact CD2-CB 3.85Å; G204-Q208 VanDerWaalsContact O-CG 3.28Å; G204-Q208 WeakPolarHBondContact O-CG 3.42Å; G204-Q208 PolarHBondContact O-N 3.03Å; G204-Q208 PolarHBondContact O-NE2 3.28Å; A206-Q208 PolarHBondContact O-N 2.81Å; Q208-R212 WeakPolarHBondContact O-CG 3.37Å; Q208-R212 PolarHBondContact O-N 3.07Å
209M87.2Confident89.1Confident7 Ų757.6 Ų57.63%0.03432%0.32CS..Hα-helixtrans-74.2-39.2176.5-162.7172.1-73.100111.1L157 L158 L161 L205 A206 D207 R212 N214 V217 L225L157-M209 HydrophobicContact CB-CE 3.9Å; L158-M209 HydrophobicContact CD2-CE 3.74Å; L158-M209 HydrophobicContact CD2-SD 4.3Å; L158-M209 HydrophobicContact CG-CE 3.79Å; L161-M209 HydrophobicContact CD1-CE 3.28Å; L161-M209 HydrophobicContact CD1-SD 3.63Å; L161-M209 HydrophobicContact CG-CE 4.31Å; L205-M209 PolarHBondContact O-N 2.91Å; L205-M209 VanDerWaalsContact O-N 3.11Å; A206-M209 CarbonylContact O-C 3.46Å; A206-M209 WeakPolarHBondContact O-CA 3.39Å; A206-M209 WeakPolarHBondContact O-CB 3.46Å; A206-M209 PolarHBondContact O-N 3.4Å; D207-M209 PolarHBondContact O-N 3.31Å; M209-R212 PolarHBondContact O-N 2.81Å; M209-N214 HydrophobicContact CG-CB 3.86Å; M209-N214 VanDerWaalsContact O-CB 3.29Å; M209-N214 WeakPolarHBondContact O-CB 3.35Å; M209-N214 PolarHBondContact O-N 3.46Å; M209-V217 HydrophobicContact CB-CG1 3.73Å; M209-V217 HydrophobicContact CG-CB 4.49Å; M209-V217 HydrophobicContact CG-CG1 3.34Å; M209-V217 HydrophobicContact SD-CB 4.3Å; M209-V217 HydrophobicContact SD-CG1 3.44Å; M209-V217 WeakPolarHBondContact SD-CG1 3.4Å; M209-L225 HydrophobicContact SD-CD2 4.21Å
210V90Very high89.2Confident43 Ų4356.5 Ų56.526%0.26131%0.314SS..Hα-helixtrans-60.2-47.8171.7175.80000111.3A206 D207 R212 G213 N214 L215 V217 Y218A206-V210 WeakPolarHBondContact O-CG2 3.29Å; A206-V210 PolarHBondContact O-N 3.04Å; D207-V210 PolarHBondContact O-N 3.22Å; D207-V210 VanDerWaalsContact O-N 3.15Å; V210-R212 PolarHBondContact O-N 3.25Å; V210-R212 VanDerWaalsContact O-N 3.13Å; V210-G213 WeakPolarHBondContact O-CA 3.45Å; V210-G213 PolarHBondContact O-N 2.98Å; V210-N214 WeakPolarHBondContact CA-O 3.3Å; V210-L215 HydrophobicContact CG1-CD2 4.31Å; V210-V217 HydrophobicContact CG2-CG2 3.42Å; V210-V217 VanDerWaalsContact CG2-CG2 3.42Å; V210-Y218 HydrophobicContact CG2-CE2 3.97Å
211A87.8Confident89.3Confident81 Ų8153.2 Ų53.267%0.66930%0.298SS*.Hα-helixtrans-58.2-28.218000000112.9D207 G213D207-A211 WeakPolarHBondContact O-CB 3.21Å; D207-A211 PolarHBondContact O-N 2.96Å; A211-G213 PolarHBondContact O-N 2.93Å
212R83.3Confident89.3Confident112 Ų11249.9 Ų49.942%0.42329%0.285SS..THydrogen-bonded Turntrans-78.3-2.8174.8-71177.9177-75.6-0.2114.4S151 M152 Q208 M209 V210S151-R212 VanDerWaalsContact CB-NH2 3.33Å; S151-R212 PolarHBondContact O-NH2 2.87Å; M152-R212 PolarHBondContact O-NH2 2.88Å; Q208-R212 WeakPolarHBondContact O-CG 3.37Å; Q208-R212 PolarHBondContact O-N 3.07Å; M209-R212 PolarHBondContact O-N 2.81Å; V210-R212 PolarHBondContact O-N 3.25Å; V210-R212 VanDerWaalsContact O-N 3.13Å
213G86Confident89.3Confident57 Ų5754.2 Ų54.259%0.58831%0.306SS*.THydrogen-bonded Turntrans105.33.9179.500000114.7V210 A211 L215V210-G213 WeakPolarHBondContact O-CA 3.45Å; V210-G213 PolarHBondContact O-N 2.98Å; A211-G213 PolarHBondContact O-N 2.93Å; G213-L215 PolarHBondContact O-N 3.43Å
214N83.4Confident89.3Confident31 Ų3160 Ų6017%0.16632%0.322CS..  trans-88.585.7176.2-69.164.8000111.3M209 V210 G216 V217 R228M209-N214 HydrophobicContact CG-CB 3.86Å; M209-N214 VanDerWaalsContact O-CB 3.29Å; M209-N214 WeakPolarHBondContact O-CB 3.35Å; M209-N214 PolarHBondContact O-N 3.46Å; V210-N214 WeakPolarHBondContact CA-O 3.3Å; N214-G216 VanDerWaalsContact C-N 3.28Å; N214-G216 PolarHBondContact O-N 2.94Å; N214-V217 HydrophobicContact CB-CG1 3.47Å; N214-V217 VanDerWaalsContact CB-CG1 3.47Å; N214-V217 WeakPolarHBondContact O-CG1 3.47Å; N214-R228 PolarHBondContact ND2-NH1 2.89Å; N214-R228 PolarHBondContact ND2-NH2 3.43Å
215L86.9Confident89.2Confident142 Ų14259 Ų5974%0.74331%0.312SS*.THydrogen-bonded Turntrans-69.4-25.4-178.6-59.4170.4000113.3V210 G213 V217V210-L215 HydrophobicContact CG1-CD2 4.31Å; G213-L215 PolarHBondContact O-N 3.43Å; L215-V217 PolarHBondContact O-N 2.81Å
216G89.8Confident89.1Confident40 Ų4059.2 Ų59.241%0.41232%0.318SS..THydrogen-bonded Turntrans-88.510.7-174.800000116.4N214 Y218 Q219 E220N214-G216 VanDerWaalsContact C-N 3.28Å; N214-G216 PolarHBondContact O-N 2.94Å; G216-Y218 PolarHBondContact O-N 3.03Å; G216-Q219 PolarHBondContact O-N 3.26Å; G216-Q219 VanDerWaalsContact O-N 3.08Å; G216-E220 PolarHBondContact O-N 3.49Å
217V89.3Confident89.1Confident1 Ų166.3 Ų66.31%0.00635%0.353CS..G310 helixtrans-59.4-34.3-170.8-64.70000113.1V171 A206 M209 V210 N214 L215 Q219 E220V171-V217 WeakPolarHBondContact CB-O 3.38Å; V171-V217 WeakPolarHBondContact CG2-O 3.35Å; A206-V217 HydrophobicContact CB-CG2 4.42Å; M209-V217 HydrophobicContact CB-CG1 3.73Å; M209-V217 HydrophobicContact CG-CB 4.49Å; M209-V217 HydrophobicContact CG-CG1 3.34Å; M209-V217 HydrophobicContact SD-CB 4.3Å; M209-V217 HydrophobicContact SD-CG1 3.44Å; M209-V217 WeakPolarHBondContact SD-CG1 3.4Å; V210-V217 HydrophobicContact CG2-CG2 3.42Å; V210-V217 VanDerWaalsContact CG2-CG2 3.42Å; N214-V217 HydrophobicContact CB-CG1 3.47Å; N214-V217 VanDerWaalsContact CB-CG1 3.47Å; N214-V217 WeakPolarHBondContact O-CG1 3.47Å; L215-V217 PolarHBondContact O-N 2.81Å; V217-Q219 PolarHBondContact O-N 3.04Å; V217-E220 PolarHBondContact O-N 2.87Å
218Y92.4Very high88.9Confident69 Ų6967.5 Ų67.527%0.27135%0.353SS..G310 helixtrans-64.3-27.8-179.6-69.5-71.2000113.1V171 A172 L175 A206 D207 V210 G216V171-Y218 HydrophobicContact CG1-CD1 4.18Å; A172-Y218 WeakPolarHBondContact CB-O 3.31Å; A172-Y218 PolarHBondContact N-O 3.02Å; L175-Y218 HydrophobicContact CD1-CD1 3.83Å; L175-Y218 HydrophobicContact CD1-CE1 3.56Å; A206-Y218 HydrophobicContact CB-CE1 4.17Å; D207-Y218 PolarHBondContact OD1-OH 2.89Å; V210-Y218 HydrophobicContact CG2-CE2 3.97Å; G216-Y218 PolarHBondContact O-N 3.03Å
219Q92.2Very high88.7Confident132 Ų13268 Ų6862%0.61736%0.355SS*.G310 helixtrans-97.5-8.5179.2-71.27153.900113G216 V217 T221G216-Q219 PolarHBondContact O-N 3.26Å; G216-Q219 VanDerWaalsContact O-N 3.08Å; V217-Q219 PolarHBondContact O-N 3.04Å; Q219-T221 PolarHBondContact O-N 2.99Å
220E90.8Very high88.8Confident17 Ų1775.6 Ų75.68%0.07939%0.388CS..  trans-68.4134.4177.5-66.6-139.2137.600110.9T170 V171 G216 V217 R224 L225T170-E220 WeakPolarHBondContact CA-O 3.21Å; V171-E220 PolarHBondContact N-O 2.84Å; G216-E220 PolarHBondContact O-N 3.49Å; V217-E220 PolarHBondContact O-N 2.87Å; E220-R224 WeakPolarHBondContact OE1-CD 3.44Å; E220-R224 IonicContact OE1-CZ 3.05Å; E220-R224 IonicContact OE1-NE 3.84Å; E220-R224 PolarHBondContact OE1-NE 2.72Å; E220-L225 HydrophobicContact CB-CD2 4.04Å; E220-L225 HydrophobicContact CB-CG 4Å; E220-L225 WeakPolarHBondContact OE2-CD2 3.48Å
221T91.9Very high88.4Confident49 Ų4974.8 Ų74.830%0.30139%0.389SS..BIsolated β-bridgetrans-82.5156.5172.157.60000109.9E169 T170 Q219 E223 R224 L225E169-T221 WeakPolarHBondContact O-CA 3.46Å; T170-T221 HydrophobicContact CG2-CG2 3.87Å; Q219-T221 PolarHBondContact O-N 2.99Å; T221-E223 PolarHBondContact O-N 3.19Å; T221-R224 WeakPolarHBondContact O-CB 3.45Å; T221-R224 PolarHBondContact O-N 3.2Å; T221-R224 WeakPolarHBondContact OG1-CB 3.45Å; T221-R224 PolarHBondContact OG1-N 2.7Å; T221-L225 PolarHBondContact O-N 2.89Å
222R89.5Confident87.7Confident88 Ų8873.5 Ų73.533%0.33237%0.371SS..Hα-helixtrans-47.5-44.8172-178.1-172.2158.9160.9-7112.7L162 L165 E169 R224 L225 A226L162-R222 HydrophobicContact CD2-CB 4.47Å; L162-R222 HydrophobicContact CD2-CG 3.57Å; L162-R222 WeakPolarHBondContact CD2-O 3.44Å; L165-R222 HydrophobicContact CB-CB 4.16Å; L165-R222 HydrophobicContact CB-CG 4.33Å; L165-R222 HydrophobicContact CD1-CB 4.5Å; E169-R222 PolarHBondContact O-N 2.79Å; E169-R222 VanDerWaalsContact O-N 3.12Å; R222-R224 VanDerWaalsContact C-N 3.31Å; R222-R224 PolarHBondContact O-N 2.72Å; R222-L225 PolarHBondContact O-N 3.02Å; R222-A226 WeakPolarHBondContact O-CB 3.27Å; R222-A226 PolarHBondContact O-N 2.91Å
223E91.5Very high86.7Confident92 Ų9269.1 Ų69.143%0.4336%0.361SS..Hα-helixtrans-65.7-36.5-178.8-49.7-50.4155.700112.2T221 A226 M227T221-E223 PolarHBondContact O-N 3.19Å; E223-A226 PolarHBondContact O-N 3.18Å; E223-M227 WeakPolarHBondContact O-CB 3.3Å; E223-M227 WeakPolarHBondContact O-CG 3.37Å; E223-M227 PolarHBondContact O-N 2.7Å
224R90.3Very high85.1Confident155 Ų15570.6 Ų70.659%0.58536%0.361SS*.Hα-helixtrans-68.1-41.1176.6-170.8168.8177.2114.4-0.1111.6E220 T221 R222 A226 M227 R228E220-R224 WeakPolarHBondContact OE1-CD 3.44Å; E220-R224 IonicContact OE1-CZ 3.05Å; E220-R224 IonicContact OE1-NE 3.84Å; E220-R224 PolarHBondContact OE1-NE 2.72Å; T221-R224 WeakPolarHBondContact O-CB 3.45Å; T221-R224 PolarHBondContact O-N 3.2Å; T221-R224 WeakPolarHBondContact OG1-CB 3.45Å; T221-R224 PolarHBondContact OG1-N 2.7Å; R222-R224 VanDerWaalsContact C-N 3.31Å; R222-R224 PolarHBondContact O-N 2.72Å; R224-A226 VanDerWaalsContact C-N 3.33Å; R224-M227 PolarHBondContact O-N 3.08Å; R224-R228 VanDerWaalsContact O-CB 3.29Å; R224-R228 WeakPolarHBondContact O-CB 3.09Å; R224-R228 PolarHBondContact O-N 2.8Å
225L89.8Confident83.5Confident0 Ų077.3 Ų77.30%039%0.391CS..Hα-helixtrans-63.7-38.8173.5-66.8166.1000111.6L158 L161 L162 L165 V171 M209 E220 T221 R222 R228 L229L158-L225 HydrophobicContact CD2-CB 4.12Å; L158-L225 HydrophobicContact CD2-CD2 3.52Å; L158-L225 HydrophobicContact CD2-CG 4.42Å; L161-L225 HydrophobicContact CB-CD1 4.21Å; L161-L225 HydrophobicContact CD1-CD1 4.33Å; L161-L225 HydrophobicContact CD1-CD2 4.26Å; L162-L225 HydrophobicContact CD2-CB 3.82Å; L162-L225 HydrophobicContact CG-CB 4.23Å; L165-L225 HydrophobicContact CD1-CD1 3.27Å; V171-L225 HydrophobicContact CG2-CD1 4.08Å; M209-L225 HydrophobicContact SD-CD2 4.21Å; E220-L225 HydrophobicContact CB-CD2 4.04Å; E220-L225 HydrophobicContact CB-CG 4Å; E220-L225 WeakPolarHBondContact OE2-CD2 3.48Å; T221-L225 PolarHBondContact O-N 2.89Å; R222-L225 PolarHBondContact O-N 3.02Å; L225-R228 WeakPolarHBondContact O-CB 3.14Å; L225-R228 PolarHBondContact O-N 3.07Å; L225-L229 WeakPolarHBondContact O-CB 2.98Å; L225-L229 PolarHBondContact O-N 3.05Å
226A89.5Confident81.6Confident34 Ų3475.2 Ų75.228%0.28139%0.385SS..Hα-helixtrans-68.6-43177.300000112.1L162 R222 E223 R224 R228 L229 K230L162-A226 HydrophobicContact CD1-CB 4.23Å; L162-A226 HydrophobicContact CD2-CB 3.98Å; R222-A226 WeakPolarHBondContact O-CB 3.27Å; R222-A226 PolarHBondContact O-N 2.91Å; E223-A226 PolarHBondContact O-N 3.18Å; R224-A226 VanDerWaalsContact C-N 3.33Å; A226-R228 VanDerWaalsContact C-N 3.29Å; A226-R228 PolarHBondContact O-N 3.33Å; A226-L229 PolarHBondContact O-N 3.29Å; A226-K230 PolarHBondContact O-N 3.49Å
227M88.6Confident79.3Confident148 Ų14878.7 Ų78.773%0.72939%0.393SS*.Hα-helixtrans-60.2-41.5172-77.2-175.9157.600111.4E223 R224 K230 G231E223-M227 WeakPolarHBondContact O-CB 3.3Å; E223-M227 WeakPolarHBondContact O-CG 3.37Å; E223-M227 PolarHBondContact O-N 2.7Å; R224-M227 PolarHBondContact O-N 3.08Å; M227-K230 PolarHBondContact O-N 3.08Å; M227-G231 PolarHBondContact O-N 3.34Å
228R87.3Confident76.8Confident94 Ų9481.2 Ų81.236%0.35542%0.419SS..Hα-helixtrans-64.1-44.7176-175.4176.5-173.3123.79.1111.9L158 N214 R224 L225 A226 K230 G231 L232L158-R228 HydrophobicContact CD1-CG 4.18Å; L158-R228 HydrophobicContact CD2-CG 4.43Å; N214-R228 PolarHBondContact ND2-NH1 2.89Å; N214-R228 PolarHBondContact ND2-NH2 3.43Å; R224-R228 VanDerWaalsContact O-CB 3.29Å; R224-R228 WeakPolarHBondContact O-CB 3.09Å; R224-R228 PolarHBondContact O-N 2.8Å; L225-R228 WeakPolarHBondContact O-CB 3.14Å; L225-R228 PolarHBondContact O-N 3.07Å; A226-R228 VanDerWaalsContact C-N 3.29Å; A226-R228 PolarHBondContact O-N 3.33Å; R228-K230 VanDerWaalsContact C-N 3.32Å; R228-K230 PolarHBondContact O-N 3.09Å; R228-G231 PolarHBondContact O-N 3.14Å; R228-G231 VanDerWaalsContact O-N 3.16Å; R228-L232 HydrophobicContact CG-CD1 3.84Å; R228-L232 WeakPolarHBondContact O-CD1 3.21Å; R228-L232 PolarHBondContact O-N 3.18Å
229L86.3Confident74.5Confident35 Ų3584 Ų8418%0.18345%0.446CS..Hα-helixtrans-59.3-44.6175.4179.863.3000111.1Q155 L158 E159 L162 L225 A226 G231 L232 G233Q155-L229 HydrophobicContact CB-CD1 3.98Å; Q155-L229 HydrophobicContact CG-CD1 4.15Å; L158-L229 HydrophobicContact CB-CB 4.29Å; L158-L229 HydrophobicContact CB-CD1 4.08Å; L158-L229 HydrophobicContact CD1-CB 4.34Å; L158-L229 HydrophobicContact CD1-CD1 4.37Å; E159-L229 HydrophobicContact CG-CD1 4.17Å; E159-L229 HydrophobicContact CG-CD2 3.61Å; L162-L229 HydrophobicContact CD1-CB 4.44Å; L162-L229 HydrophobicContact CD1-CD2 3.72Å; L225-L229 WeakPolarHBondContact O-CB 2.98Å; L225-L229 PolarHBondContact O-N 3.05Å; A226-L229 PolarHBondContact O-N 3.29Å; L229-G231 VanDerWaalsContact C-N 3.34Å; L229-G231 PolarHBondContact O-N 3.4Å; L229-L232 PolarHBondContact O-N 2.73Å; L229-G233 PolarHBondContact O-N 2.89Å
230K87.7Confident72Confident167 Ų16786.5 Ų86.573%0.72646%0.457SS*.Hα-helixtrans-60.8-43.3174.1-169-174.5179.3-161.60111.4A226 M227 R228 L232 G233 C234A226-K230 PolarHBondContact O-N 3.49Å; M227-K230 PolarHBondContact O-N 3.08Å; R228-K230 VanDerWaalsContact C-N 3.32Å; R228-K230 PolarHBondContact O-N 3.09Å; K230-L232 PolarHBondContact O-N 2.96Å; K230-G233 PolarHBondContact O-N 3.48Å; K230-C234 PolarHBondContact O-N 3.09Å; K230-C234 PolarHBondContact O-SG 3.41Å
231G82.4Confident69.4Low27 Ų2792.2 Ų92.228%0.27849%0.489SS..Hα-helixtrans-61.2-37.5177.200000114M227 R228 L229 C234M227-G231 PolarHBondContact O-N 3.34Å; R228-G231 PolarHBondContact O-N 3.14Å; R228-G231 VanDerWaalsContact O-N 3.16Å; L229-G231 VanDerWaalsContact C-N 3.34Å; L229-G231 PolarHBondContact O-N 3.4Å; G231-C234 WeakPolarHBondContact CA-SG 3.48Å; G231-C234 PolarHBondContact O-SG 3.28Å
232L73.1Confident67Low53 Ų5394.8 Ų94.828%0.27751%0.506SS..Hα-helixtrans-73.7-37.8173.5-89.476.7000111.8A154 Q155 L158 R228 L229 K230 Q235A154-L232 HydrophobicContact CB-CD2 3.9Å; Q155-L232 HydrophobicContact CG-CB 4.47Å; L158-L232 HydrophobicContact CD1-CD2 4.35Å; R228-L232 HydrophobicContact CG-CD1 3.84Å; R228-L232 WeakPolarHBondContact O-CD1 3.21Å; R228-L232 PolarHBondContact O-N 3.18Å; L229-L232 PolarHBondContact O-N 2.73Å; K230-L232 PolarHBondContact O-N 2.96Å; L232-Q235 PolarHBondContact O-N 3.43Å
233G61.8Low64.6Low21 Ų2196.4 Ų96.422%0.21653%0.526CS..Hα-helixtrans-68.5-35.8178.800000113.6L229 K230 Q235 L237L229-G233 PolarHBondContact O-N 2.89Å; K230-G233 PolarHBondContact O-N 3.48Å; G233-Q235 VanDerWaalsContact C-N 3.33Å; G233-L237 WeakPolarHBondContact O-CG 3.18Å; G233-L237 PolarHBondContact O-N 2.68Å
234C51.8Low62.4Low87 Ų8797.1 Ų97.159%0.58854%0.538SS*.Hα-helixtrans-74.6-22.4176.356.90000113.4K230 G231K230-C234 PolarHBondContact O-N 3.09Å; K230-C234 PolarHBondContact O-SG 3.41Å; G231-C234 WeakPolarHBondContact CA-SG 3.48Å; G231-C234 PolarHBondContact O-SG 3.28Å
235Q50.9Low60.2Low172 Ų17295.4 Ų95.480%0.80455%0.547SS*.Hα-helixtrans-75-29.1178.8-127.2161.398.900113.2L232 G233L232-Q235 PolarHBondContact O-N 3.43Å; G233-Q235 VanDerWaalsContact C-N 3.33Å
236T45.9Very low58.5Low99 Ų99100 Ų10061%0.60758%0.577SS**Hα-helixtrans-99.2-17.4-178.757.60000113.8G238T236-G238 PolarHBondContact O-N 3.25Å
237L42.5Very low57.1Low112 Ų112103.9 Ų103.959%0.58660%0.602SS**  trans-9578175.2-59.3-176.5000109.8G233G233-L237 WeakPolarHBondContact O-CG 3.18Å; G233-L237 PolarHBondContact O-N 2.68Å
238G36.9Very low55.7Low54 Ų54102.6 Ų102.656%0.55760%0.598SS**  trans-44.3148.4146.400000110T236 H240T236-G238 PolarHBondContact O-N 3.25Å; G238-H240 PolarHBondContact O-N 3.04Å
239P44.4Very low54.8Low129 Ų129102.7 Ų102.784%0.83861%0.605SS**SBendtrans-67.389.4-14526.9-35.6000112.3
240H38.5Very low54Low183 Ų183108.8 Ų108.885%0.84764%0.635SS**  trans-149.464.8167.1-113.2-73.3000110.1G238G238-H240 PolarHBondContact O-N 3.04Å
241N36.4Very low52.9Low138 Ų138109 Ų10974%0.73864%0.636SS**SBendtrans-142129.3147.7-144.48.5000108T243N241-T243 PolarHBondContact O-N 2.9Å; N241-T243 VanDerWaalsContact O-N 3.15Å
242P43Very low52.4Low102 Ų102109.4 Ų109.466%0.66264%0.637SS**  trans-74.5112.7-170.830.2-27.8000109.5
243T38.5Very low51.8Low123 Ų123116.6 Ų116.676%0.75567%0.669SS**  trans53.384140.760.70000118N241N241-T243 PolarHBondContact O-N 2.9Å; N241-T243 VanDerWaalsContact O-N 3.15Å
244P45.8Very low51.7Low107 Ų107124.3 Ų124.370%0.69570%0.699SS**SBend-75.1147.3113.65.313.5000108.7
245P44.5Very low51.5Low119 Ų119124.8 Ų124.877%0.77370%0.696SS**PPolyproline II helixtrans-54.2132.6-173.423.3-33000109.4S247P245-S247 PolarHBondContact O-N 3.45Å
246P53.9Low51.7Low97 Ų97119.4 Ų119.463%0.6368%0.68SS**PPolyproline II helixtrans-52.2119.2178.523.7-32.5000106.7L248P246-L248 PolarHBondContact O-N 3.11Å
247S58.4Low52.2Low114 Ų114122.8 Ų122.880%0.79769%0.689SS**  trans-62.595.4163.449.90000104.7P245 D249P245-S247 PolarHBondContact O-N 3.45Å; S247-D249 PolarHBondContact O-N 3.18Å
248L60.7Low52.8Low122 Ų122125.8 Ų125.864%0.63970%0.7SS**  trans-49.1104.7176.7-176.767.4000106.6P246 M250 L255P246-L248 PolarHBondContact O-N 3.11Å; L248-M250 VanDerWaalsContact C-N 3.33Å; L248-M250 PolarHBondContact O-N 3.33Å; L248-L255 HydrophobicContact CD1-CD2 3.64Å
249D67.3Low53.6Low96 Ų96130.5 Ų130.551%0.51371%0.708SS.*  trans-69.799178.9-179.63.4000106.5S247 F251 A252S247-D249 PolarHBondContact O-N 3.18Å; D249-F251 PolarHBondContact O-N 3.04Å; D249-F251 PolarHBondContact OD1-N 3.49Å; D249-F251 VanDerWaalsContact OD1-N 3.12Å; D249-A252 HydrophobicContact CB-CB 3.73Å; D249-A252 WeakPolarHBondContact O-CB 3.2Å; D249-A252 PolarHBondContact O-N 3Å; D249-A252 PolarHBondContact OD1-N 3.3Å
250M69.3Low53.9Low163 Ų163129.9 Ų129.980%0.80370%0.697SS**THydrogen-bonded Turntrans-60.1-14.4-177.8-174170.558.800112.7L248L248-M250 VanDerWaalsContact C-N 3.33Å; L248-M250 PolarHBondContact O-N 3.33Å
251F64.6Low54.1Low170 Ų170129.2 Ų129.275%0.74669%0.694SS**THydrogen-bonded Turntrans-105.2-2.8175.1-61.9-79.9000113.6D249 E253D249-F251 PolarHBondContact O-N 3.04Å; D249-F251 PolarHBondContact OD1-N 3.49Å; D249-F251 VanDerWaalsContact OD1-N 3.12Å; F251-E253 PolarHBondContact O-N 3.39Å
252A71.5Confident54.3Low36 Ų36128.2 Ų128.230%0.29869%0.693SS.*  trans-70.8116.4172.500000108.8D249 E254D249-A252 HydrophobicContact CB-CB 3.73Å; D249-A252 WeakPolarHBondContact O-CB 3.2Å; D249-A252 PolarHBondContact O-N 3Å; D249-A252 PolarHBondContact OD1-N 3.3Å; A252-E254 PolarHBondContact O-N 2.88Å
253E61.7Low54.1Low204 Ų204129.2 Ų129.295%0.95370%0.699SS**SBendtrans-70.5-7.6175.6-52.3-162.7-178.800112.2F251 L255F251-E253 PolarHBondContact O-N 3.39Å; E253-L255 PolarHBondContact O-N 3.25Å
254E58.4Low53.9Low183 Ų183129 Ų12986%0.85570%0.698SS**  trans-98.566.3177.2-162.3172.4-169.600110.2A252 A256A252-E254 PolarHBondContact O-N 2.88Å; E254-A256 PolarHBondContact O-N 3.32Å
255L48.5Very low53.5Low98 Ų98130.2 Ų130.251%0.51371%0.706SS.*  trans-76.3112.1162.7-75.1167.9000107.4L248 E253 E257L248-L255 HydrophobicContact CD1-CD2 3.64Å; E253-L255 PolarHBondContact O-N 3.25Å; L255-E257 PolarHBondContact O-N 3.4Å
256A55.5Low53Low58 Ų58129.4 Ų129.448%0.47970%0.699SS.*  trans-59.7112169.800000108.3E254 E258 E259E254-A256 PolarHBondContact O-N 3.32Å; A256-E258 PolarHBondContact O-N 2.92Å; A256-E259 PolarHBondContact O-N 3.38Å
257E56.1Low52.2Low171 Ų171133.1 Ų133.180%0.79971%0.708SS**G310 helixtrans-53.9-21.4-178.5-63.6175.2159.700112.5L255 L260L255-E257 PolarHBondContact O-N 3.4Å; E257-L260 WeakPolarHBondContact O-CB 3.44Å; E257-L260 PolarHBondContact O-N 3.02Å
258E55.2Low51.2Low175 Ų175139.9 Ų139.982%0.81872%0.716SS**G310 helixtrans-66.9-30.3176.5-57.3-94.8138.400113.6A256 L260A256-E258 PolarHBondContact O-N 2.92Å; E258-L260 VanDerWaalsContact C-N 3.3Å
259E52.8Low49.8Very low152 Ų152137.3 Ų137.371%0.7172%0.719SS**G310 helixtrans-82.8-8.9176.4-81.1-167.7131.600113.1A256 E261A256-E259 PolarHBondContact O-N 3.38Å; E259-E261 VanDerWaalsContact C-N 3.28Å
260L50.7Low48Very low117 Ų117142 Ų14261%0.61374%0.738SS**G310 helixtrans-83.3-0.8173.9-102.6153.2000113.2E257 E258 T262E257-L260 WeakPolarHBondContact O-CB 3.44Å; E257-L260 PolarHBondContact O-N 3.02Å; E258-L260 VanDerWaalsContact C-N 3.3Å; L260-T262 PolarHBondContact O-N 3.06Å
261E43.3Very low46.3Very low168 Ų168138.6 Ų138.679%0.78574%0.735SS**  trans-73.279.4169.8-65.5-138.6147.700110.6E259 P263E259-E261 VanDerWaalsContact C-N 3.28Å; E261-P263 WeakPolarHBondContact O-CD 3.35Å; E261-P263 VanDerWaalsContact O-N 3.15Å
262T39.9Very low44.7Very low117 Ų117139.9 Ų139.972%0.71874%0.744SS**  trans-47.2119165.349.90000109.4L260 T264L260-T262 PolarHBondContact O-N 3.06Å; T262-T264 PolarHBondContact O-N 2.79Å
263P40.4Very low43Very low123 Ų123143.5 Ų143.580%0.79977%0.767SS**  trans-63.8115.4-173.221.3-30.5000109.5E261E261-P263 WeakPolarHBondContact O-CD 3.35Å; E261-P263 VanDerWaalsContact O-N 3.15Å
264T34Very low41.7Very low118 Ų118145.2 Ų145.272%0.72476%0.764SS**  trans-46.6124.117447.10000110.8T262 T266T262-T264 PolarHBondContact O-N 2.79Å; T264-T266 PolarHBondContact O-N 3.21Å
265P37Very low40.7Very low134 Ų134139.8 Ų139.887%0.8776%0.758SS**  trans-77.686.8-174.430.3-32.7000109.5
266T34.1Very low40.5Very low102 Ų102142.1 Ų142.163%0.62677%0.771SS**  trans-103.5104.5170.6-61.70000109.4T264T264-T266 PolarHBondContact O-N 3.21Å
267Q37.3Very low40Very low175 Ų175142 Ų14282%0.81878%0.776SS**  trans71.289.7152-62.6176.961.500118.6
268R35.7Very low39.9Very low256 Ų256141.6 Ų141.697%0.96678%0.778SS**  trans-162.396.3135.3-103.3171.7-174.4-159.41.6105
269G31.4Very low40.2Very low67 Ų67138 Ų13869%0.69177%0.768SS**  85.681.578.400000108.6
270E30.1Very low41.1Very low195 Ų195136.6 Ų136.691%0.91177%0.765SS**  trans51.174.9146.1-60.2170.517100116.9
271A34.3Very low42.7Very low91 Ų91132 Ų13275%0.75274%0.742SS**  trans-130.991.2148.100000107.4S273A271-S273 PolarHBondContact O-N 3.14Å
272E30.6Very low44.8Very low198 Ų198128.4 Ų128.493%0.92573%0.726SS**  trans-67.767.3171.9-62.2179.7136.700110.1R274E272-R274 PolarHBondContact O-N 2.76Å
273S36.4Very low47.3Very low111 Ų111123.1 Ų123.178%0.77669%0.693SS**  trans-89.775.3157.869.40000108.3A271 G275A271-S273 PolarHBondContact O-N 3.14Å; S273-G275 PolarHBondContact O-N 3.26Å
274R34.5Very low49.8Very low240 Ų240118.7 Ų118.791%0.90666%0.662SS**  trans-24.7119.4155.1-176.3175.4177171-2113E272E272-R274 PolarHBondContact O-N 2.76Å
275G37.1Very low52.5Low69 Ų69114.1 Ų114.171%0.71163%0.631SS**  trans40.4117.6153.400000117.4S273S273-G275 PolarHBondContact O-N 3.26Å
276D44.1Very low55.1Low147 Ų147108.4 Ų108.479%0.78659%0.593SS**  -148.5132.366.2-143.89.4000107.6L278D276-L278 VanDerWaalsContact C-N 3.3Å; D276-L278 PolarHBondContact O-N 3.24Å
277G45.4Very low57.8Low57 Ų57109.4 Ų109.459%0.58859%0.585SS**  trans-58.4106.8165.100000105.5V279G277-V279 PolarHBondContact O-N 2.97Å
278L54.1Low60.1Low162 Ų162106.9 Ų106.985%0.84857%0.574SS**  trans-65.473.8168.3-62.1174.8000105.6D276 D280D276-L278 VanDerWaalsContact C-N 3.3Å; D276-L278 PolarHBondContact O-N 3.24Å; L278-D280 VanDerWaalsContact C-N 3.3Å; L278-D280 PolarHBondContact O-N 2.74Å
279V60.2Low62.3Low100 Ų10098.7 Ų98.761%0.60655%0.549SS*.  trans-60.8105167-710000103G277 V281G277-V279 PolarHBondContact O-N 2.97Å; V279-V281 VanDerWaalsContact C-N 3.26Å; V279-V281 HydrophobicContact CG2-CG2 4.21Å; V279-V281 VanDerWaalsContact O-CG2 3.26Å; V279-V281 WeakPolarHBondContact O-CG2 3.34Å; V279-V281 PolarHBondContact O-N 3.15Å
280D72.2Confident64.9Low121 Ų12198.2 Ų98.265%0.64753%0.532SS*.  trans-5798.3176.9-118.5-20.1000106.3L278 M282L278-D280 VanDerWaalsContact C-N 3.3Å; L278-D280 PolarHBondContact O-N 2.74Å; D280-M282 PolarHBondContact O-N 3.42Å
281V83.8Confident67Low21 Ų2193.2 Ų93.213%0.12753%0.533CS..  trans-73.4106.5-173.4179.10000106.3V279 W283 K321 Y340V279-V281 VanDerWaalsContact C-N 3.26Å; V279-V281 HydrophobicContact CG2-CG2 4.21Å; V279-V281 VanDerWaalsContact O-CG2 3.26Å; V279-V281 WeakPolarHBondContact O-CG2 3.34Å; V279-V281 PolarHBondContact O-N 3.15Å; V281-W283 HydrophobicContact CG1-CZ2 3.95Å; V281-W283 PolarHBondContact O-NE1 2.94Å; V281-K321 HydrophobicContact CG1-CB 4.15Å; V281-K321 HydrophobicContact CG1-CD 3.6Å; V281-K321 HydrophobicContact CG1-CG 3.67Å; V281-Y340 HydrophobicContact CB-CD1 4.08Å; V281-Y340 HydrophobicContact CB-CG 4.45Å; V281-Y340 HydrophobicContact CG1-CD1 4.22Å; V281-Y340 HydrophobicContact CG2-CD1 3.59Å; V281-Y340 HydrophobicContact CG2-CE1 4.23Å; V281-Y340 HydrophobicContact CG2-CG 4.37Å
282M88.3Confident69.1Low93 Ų9395.4 Ų95.446%0.45853%0.533SS..EExtended strand (participates in β ladder)trans-86.1139.5175-63.4-179.4-104.100110.1D280 P298 F299 L322D280-M282 PolarHBondContact O-N 3.42Å; M282-P298 HydrophobicContact CB-CB 3.94Å; M282-P298 HydrophobicContact CG-CB 4.3Å; M282-P298 HydrophobicContact SD-CB 3.94Å; M282-P298 HydrophobicContact SD-CG 4.47Å; M282-F299 CarbonylContact C-O 3.46Å; M282-F299 WeakPolarHBondContact CA-O 3.26Å; M282-L322 HydrophobicContact CB-CB 4.22Å; M282-L322 HydrophobicContact CB-CD1 3.65Å; M282-L322 HydrophobicContact CB-CG 4.46Å; M282-L322 PolarHBondContact O-N 3.12Å
283W91.9Very high71.6Confident5 Ų587.3 Ų87.32%0.01950%0.5CS..EExtended strand (participates in β ladder)trans-118.3141.8-174.6-64.285.5000111.1V281 P298 F299 M304 C319 R320 K321 I335 F337 Y340V281-W283 HydrophobicContact CG1-CZ2 3.95Å; V281-W283 PolarHBondContact O-NE1 2.94Å; W283-P298 CarbonylContact O-C 3.56Å; W283-P298 WeakPolarHBondContact O-CA 3.36Å; W283-F299 PolarHBondContact N-O 3.15Å; W283-F299 PolarHBondContact O-N 3.19Å; W283-M304 HydrophobicContact CB-CG 3.9Å; W283-M304 HydrophobicContact CG-CG 4.2Å; W283-C319 HydrophobicContact CE3-CB 4.1Å; W283-R320 CarbonylContact C-O 3.55Å; W283-R320 WeakPolarHBondContact CA-O 3.49Å; W283-K321 HydrophobicContact CD2-CG 4.11Å; W283-K321 HydrophobicContact CE3-CG 3.79Å; W283-K321 HydrophobicContact CH2-CD 3.74Å; W283-K321 HydrophobicContact CH2-CG 3.37Å; W283-K321 HydrophobicContact CZ2-CD 3.93Å; W283-K321 HydrophobicContact CZ2-CG 3.68Å; W283-K321 HydrophobicContact CZ3-CD 4.29Å; W283-K321 HydrophobicContact CZ3-CG 3.43Å; W283-K321 VanDerWaalsContact CZ3-CG 3.43Å; W283-I335 HydrophobicContact CH2-CD1 4.46Å; W283-I335 HydrophobicContact CH2-CG2 3.46Å; W283-I335 VanDerWaalsContact CH2-CG2 3.46Å; W283-I335 HydrophobicContact CZ2-CG2 4.15Å; W283-I335 HydrophobicContact CZ3-CD1 3.82Å; W283-I335 HydrophobicContact CZ3-CG2 3.84Å; W283-F337 HydrophobicContact CD2-CD1 4.18Å; W283-F337 AromaticContact CD2-CE1 3.74Å; W283-F337 HydrophobicContact CD2-CE1 3.74Å; W283-F337 AromaticContact CE2-CD1 3.86Å; W283-F337 AromaticContact CE2-CE1 3.89Å; W283-F337 AromaticContact CE3-CE1 3.91Å; W283-F337 HydrophobicContact CE3-CE1 3.91Å; W283-F337 HydrophobicContact CG-CE1 4.2Å; W283-F337 HydrophobicContact CH2-CE1 4.34Å; W283-F337 HydrophobicContact CZ2-CD1 4.08Å; W283-F337 HydrophobicContact CZ2-CE1 4.21Å; W283-F337 HydrophobicContact CZ3-CE1 4.2Å; W283-Y340 HydrophobicContact CH2-CD2 4.35Å; W283-Y340 AromaticContact CH2-CE2 3.93Å; W283-Y340 HydrophobicContact CH2-CE2 3.93Å; W283-Y340 AromaticContact CZ2-CD2 3.6Å; W283-Y340 HydrophobicContact CZ2-CD2 3.6Å; W283-Y340 AromaticContact CZ2-CE2 3.62Å; W283-Y340 HydrophobicContact CZ2-CE2 3.62Å; W283-Y340 HydrophobicContact CZ2-CG 4.08Å
284E92.4Very high74.1Confident30 Ų3088.5 Ų88.514%0.1449%0.493CS..EExtended strand (participates in β ladder)trans-111.9140.3163.6-63.8171.7141.200108.3L295 Y296 C319 R320 L322E284-L295 HydrophobicContact CB-CD1 3.85Å; E284-L295 HydrophobicContact CB-CD2 4.47Å; E284-L295 HydrophobicContact CB-CG 4.14Å; E284-L295 HydrophobicContact CG-CD2 4.46Å; E284-Y296 CarbonylContact C-O 3.57Å; E284-Y296 VanDerWaalsContact CA-O 3.28Å; E284-Y296 WeakPolarHBondContact CA-O 3.27Å; E284-C319 CarbonylContact O-C 3.46Å; E284-C319 WeakPolarHBondContact O-CA 3.44Å; E284-R320 PolarHBondContact N-O 3.01Å; E284-R320 PolarHBondContact O-N 3.49Å; E284-R320 IonicContact OE2-CZ 3.25Å; E284-R320 IonicContact OE2-NE 2.82Å; E284-R320 PolarHBondContact OE2-NE 2.92Å; E284-R320 IonicContact OE2-NH2 2.77Å; E284-R320 PolarHBondContact OE2-NH2 3.02Å; E284-L322 HydrophobicContact CG-CD1 4.04Å; E284-L322 HydrophobicContact CG-CD2 3.76Å; E284-L322 HydrophobicContact CG-CG 3.79Å; E284-L322 VanDerWaalsContact OE1-CD2 3.29Å; E284-L322 WeakPolarHBondContact OE1-CD2 3.34Å
285Y92.1Very high76.7Confident22 Ų2281 Ų819%0.08647%0.47CS..EExtended strand (participates in β ladder)trans-126.2155.2171.680.9-94.5000112.1W287 Y296 F299 M304 W307 F313 V317 Y318Y285-W287 AromaticContact CE2-CE2 3.93Å; Y285-W287 HydrophobicContact CE2-CZ2 4.17Å; Y285-W287 AromaticContact CE2-NE1 3.85Å; Y285-Y296 HydrophobicContact CE1-CG 4.45Å; Y285-Y296 HydrophobicContact CE2-CD2 4Å; Y285-Y296 HydrophobicContact CE2-CG 4.12Å; Y285-Y296 AromaticContact CZ-CG 3.92Å; Y285-Y296 PolarHBondContact N-O 2.88Å; Y285-Y296 PolarHBondContact O-N 3.45Å; Y285-F299 AromaticContact CD1-CD2 3.72Å; Y285-F299 HydrophobicContact CD1-CD2 3.72Å; Y285-F299 AromaticContact CD1-CE2 3.67Å; Y285-F299 HydrophobicContact CD1-CE2 3.67Å; Y285-F299 AromaticContact CE1-CD2 3.73Å; Y285-F299 HydrophobicContact CE1-CD2 3.73Å; Y285-F299 AromaticContact CE1-CE2 3.29Å; Y285-F299 HydrophobicContact CE1-CE2 3.29Å; Y285-F299 HydrophobicContact CE1-CZ 4.19Å; Y285-M304 HydrophobicContact CD1-CE 4Å; Y285-M304 HydrophobicContact CD1-SD 3.83Å; Y285-M304 HydrophobicContact CE1-SD 4.49Å; Y285-M304 HydrophobicContact CG-CE 4.24Å; Y285-W307 HydrophobicContact CD1-CZ3 4.29Å; Y285-W307 HydrophobicContact CE1-CE3 4.3Å; Y285-W307 HydrophobicContact CE1-CH2 4.41Å; Y285-W307 AromaticContact CE1-CZ3 3.64Å; Y285-W307 HydrophobicContact CE1-CZ3 3.64Å; Y285-F313 HydrophobicContact CD1-CZ 4.31Å; Y285-F313 HydrophobicContact CD2-CE1 4.23Å; Y285-F313 HydrophobicContact CD2-CZ 4.36Å; Y285-F313 HydrophobicContact CE1-CZ 4.09Å; Y285-F313 AromaticContact CE2-CE1 3.87Å; Y285-F313 HydrophobicContact CE2-CE1 3.87Å; Y285-F313 HydrophobicContact CE2-CZ 4.18Å; Y285-F313 HydrophobicContact CG-CZ 4.44Å; Y285-V317 HydrophobicContact CD2-CB 4.07Å; Y285-V317 HydrophobicContact CD2-CG1 4.25Å; Y285-V317 HydrophobicContact CD2-CG2 4.11Å; Y285-V317 HydrophobicContact CG-CG2 4.31Å; Y285-Y318 CarbonylContact C-O 3.56Å; Y285-Y318 WeakPolarHBondContact CA-O 3.49Å
286K91.5Very high79.3Confident15 Ų1581.5 Ų81.57%0.06545%0.451CS..EExtended strand (participates in β ladder)trans-136.4150.1170.362.7180-170.3160.50110E288 N289 T290 A293 E294 L295 Y318 F329K286-E288 WeakPolarHBondContact CD-O 3.16Å; K286-E288 WeakPolarHBondContact CE-O 3.36Å; K286-E288 WeakPolarHBondContact CG-O 3.41Å; K286-E288 PolarHBondContact NZ-O 3.5Å; K286-N289 VanDerWaalsContact NZ-C 3.35Å; K286-N289 PolarHBondContact NZ-O 2.89Å; K286-N289 PolarHBondContact NZ-OD1 2.91Å; K286-T290 PolarHBondContact NZ-O 2.81Å; K286-A293 HydrophobicContact CB-CB 4.41Å; K286-A293 HydrophobicContact CD-CB 4.34Å; K286-E294 WeakPolarHBondContact CB-O 3.46Å; K286-L295 HydrophobicContact CB-CD1 4.34Å; K286-Y318 PolarHBondContact N-O 2.77Å; K286-Y318 PolarHBondContact O-N 3.27Å; K286-F329 HydrophobicContact CD-CD1 4.18Å; K286-F329 HydrophobicContact CD-CD2 4.39Å; K286-F329 HydrophobicContact CD-CE1 3.95Å; K286-F329 HydrophobicContact CD-CE2 4.18Å; K286-F329 HydrophobicContact CD-CG 4.4Å; K286-F329 HydrophobicContact CD-CZ 3.96Å; K286-F329 HydrophobicContact CG-CD1 4.1Å; K286-F329 HydrophobicContact CG-CE1 4.01Å; K286-F329 HydrophobicContact CG-CZ 4.5Å
287W89.8Confident81.4Confident123 Ų12376.2 Ų76.247%0.46643%0.432SS..SBendtrans-72.9-38.7-178.2-67.5101.9000112.5Y285 Y296 F313 V317Y285-W287 AromaticContact CE2-CE2 3.93Å; Y285-W287 HydrophobicContact CE2-CZ2 4.17Å; Y285-W287 AromaticContact CE2-NE1 3.85Å; W287-Y296 AromaticContact CD1-CE2 3.66Å; W287-Y296 AromaticContact NE1-CE2 3.76Å; W287-F313 AromaticContact CH2-CD1 3.62Å; W287-F313 HydrophobicContact CH2-CD1 3.62Å; W287-F313 AromaticContact CH2-CE1 3.76Å; W287-F313 HydrophobicContact CH2-CE1 3.76Å; W287-F313 HydrophobicContact CZ2-CD1 4.4Å; W287-F313 HydrophobicContact CZ2-CE1 4.09Å; W287-F313 AromaticContact CZ3-CD1 3.8Å; W287-F313 HydrophobicContact CZ3-CD1 3.8Å; W287-F313 HydrophobicContact CZ3-CE1 4.29Å; W287-V317 HydrophobicContact CD2-CG1 3.99Å; W287-V317 HydrophobicContact CE3-CG1 3.4Å; W287-V317 HydrophobicContact CH2-CG1 4.29Å; W287-V317 HydrophobicContact CZ3-CG1 3.57Å
288E87.3Confident83.6Confident122 Ų12277.4 Ų77.457%0.5743%0.429SS*.SBendtrans-118.6147.6-177.6-61.4-173174.300111.6K286 T290 A293K286-E288 WeakPolarHBondContact CD-O 3.16Å; K286-E288 WeakPolarHBondContact CE-O 3.36Å; K286-E288 WeakPolarHBondContact CG-O 3.41Å; K286-E288 PolarHBondContact NZ-O 3.5Å; E288-T290 PolarHBondContact O-N 3.44Å; E288-A293 HydrophobicContact CB-CB 4.03Å; E288-A293 WeakPolarHBondContact O-CB 3.16Å
289N81.6Confident85.4Confident83 Ų8371.8 Ų71.844%0.44440%0.397SS..SBendtrans-78.77.8177.7-162.322.8000113.7K286 Y318K286-N289 VanDerWaalsContact NZ-C 3.35Å; K286-N289 PolarHBondContact NZ-O 2.89Å; K286-N289 PolarHBondContact NZ-OD1 2.91Å; N289-Y318 HydrophobicContact CB-CD1 4.1Å; N289-Y318 HydrophobicContact CB-CD2 4.01Å; N289-Y318 HydrophobicContact CB-CE1 3.81Å; N289-Y318 HydrophobicContact CB-CE2 3.73Å; N289-Y318 HydrophobicContact CB-CG 4.19Å
290T84.4Confident86.9Confident57 Ų5769.2 Ų69.235%0.3538%0.382SS..SBendtrans-72.8163.7177.4620000110.9K286 E288 D292K286-T290 PolarHBondContact NZ-O 2.81Å; E288-T290 PolarHBondContact O-N 3.44Å; T290-D292 VanDerWaalsContact C-N 3.29Å; T290-D292 WeakPolarHBondContact CB-OD1 3.46Å; T290-D292 PolarHBondContact OG1-OD1 3.39Å
291G75.3Confident87.7Confident90 Ų9063.7 Ų63.793%0.92835%0.353SS*.SBendtrans-78.5-14-178.400000114
292D77.3Confident88Confident138 Ų13864.9 Ų64.974%0.73837%0.365SS*.SBendtrans-104.5-1.2-177.459.9-30.5000113.5T290T290-D292 VanDerWaalsContact C-N 3.29Å; T290-D292 WeakPolarHBondContact CB-OD1 3.46Å; T290-D292 PolarHBondContact OG1-OD1 3.39Å
293A83.6Confident88.1Confident28 Ų2864.6 Ų64.623%0.23136%0.362CS..SBendtrans-68.1142.2178.500000112.3K286 E288 L295K286-A293 HydrophobicContact CB-CB 4.41Å; K286-A293 HydrophobicContact CD-CB 4.34Å; E288-A293 HydrophobicContact CB-CB 4.03Å; E288-A293 WeakPolarHBondContact O-CB 3.16Å; A293-L295 PolarHBondContact O-N 2.85Å
294E89.2Confident87.9Confident135 Ų13564.3 Ų64.363%0.63136%0.362SS*.PPolyproline II helixtrans-63.3131.5176.6-65174.1172.100111.2K286 Y296K286-E294 WeakPolarHBondContact CB-O 3.46Å; E294-Y296 HydrophobicContact CB-CD2 4.39Å; E294-Y296 HydrophobicContact CB-CE2 3.58Å; E294-Y296 WeakPolarHBondContact O-CD2 3.39Å; E294-Y296 PolarHBondContact OE2-OH 3.45Å
295L89.6Confident87.8Confident84 Ų8465.4 Ų65.444%0.4437%0.366SS..EExtended strand (participates in β ladder)trans-99.9125.5-180-169.267.9000109.9E284 K286 A293 F329E284-L295 HydrophobicContact CB-CD1 3.85Å; E284-L295 HydrophobicContact CB-CD2 4.47Å; E284-L295 HydrophobicContact CB-CG 4.14Å; E284-L295 HydrophobicContact CG-CD2 4.46Å; K286-L295 HydrophobicContact CB-CD1 4.34Å; A293-L295 PolarHBondContact O-N 2.85Å; L295-F329 HydrophobicContact CD1-CE1 3.65Å; L295-F329 HydrophobicContact CD1-CZ 3.59Å
296Y90.7Very high87.8Confident79 Ų7967.5 Ų67.531%0.3138%0.382SS..EExtended strand (participates in β ladder)trans-115.8123.4-177.9-63.4-93.4000109.6E284 Y285 W287 E294 F299E284-Y296 CarbonylContact C-O 3.57Å; E284-Y296 VanDerWaalsContact CA-O 3.28Å; E284-Y296 WeakPolarHBondContact CA-O 3.27Å; Y285-Y296 HydrophobicContact CE1-CG 4.45Å; Y285-Y296 HydrophobicContact CE2-CD2 4Å; Y285-Y296 HydrophobicContact CE2-CG 4.12Å; Y285-Y296 AromaticContact CZ-CG 3.92Å; Y285-Y296 PolarHBondContact N-O 2.88Å; Y285-Y296 PolarHBondContact O-N 3.45Å; W287-Y296 AromaticContact CD1-CE2 3.66Å; W287-Y296 AromaticContact NE1-CE2 3.76Å; E294-Y296 HydrophobicContact CB-CD2 4.39Å; E294-Y296 HydrophobicContact CB-CE2 3.58Å; E294-Y296 WeakPolarHBondContact O-CD2 3.39Å; E294-Y296 PolarHBondContact OE2-OH 3.45Å; Y296-F299 VanDerWaalsContact C-CE2 3.43Å; Y296-F299 WeakPolarHBondContact O-CE2 3.38Å
297G88.9Confident87.8Confident36 Ų3669.7 Ų69.737%0.37139%0.389SS..EExtended strand (participates in β ladder)trans162.9-179.9179.200000110.4
298P90.3Very high87.7Confident81 Ų8166.8 Ų66.853%0.52639%0.385SS..EExtended strand (participates in β ladder)cis-71.6135.8-5.426.5-33.5000113.5M282 W283 L322M282-P298 HydrophobicContact CB-CB 3.94Å; M282-P298 HydrophobicContact CG-CB 4.3Å; M282-P298 HydrophobicContact SD-CB 3.94Å; M282-P298 HydrophobicContact SD-CG 4.47Å; W283-P298 CarbonylContact O-C 3.56Å; W283-P298 WeakPolarHBondContact O-CA 3.36Å; P298-L322 HydrophobicContact CB-CD1 3.46Å; P298-L322 VanDerWaalsContact CB-CD1 3.46Å; P298-L322 HydrophobicContact CG-CD1 4.49Å
299F92Very high87.7Confident44 Ų4465.4 Ų65.419%0.19339%0.389CS..EExtended strand (participates in β ladder)trans-117.9146.3168.7-58.8-63.2000111.2M282 W283 Y285 Y296 Q303 M304 W307M282-F299 CarbonylContact C-O 3.46Å; M282-F299 WeakPolarHBondContact CA-O 3.26Å; W283-F299 PolarHBondContact N-O 3.15Å; W283-F299 PolarHBondContact O-N 3.19Å; Y285-F299 AromaticContact CD1-CD2 3.72Å; Y285-F299 HydrophobicContact CD1-CD2 3.72Å; Y285-F299 AromaticContact CD1-CE2 3.67Å; Y285-F299 HydrophobicContact CD1-CE2 3.67Å; Y285-F299 AromaticContact CE1-CD2 3.73Å; Y285-F299 HydrophobicContact CE1-CD2 3.73Å; Y285-F299 AromaticContact CE1-CE2 3.29Å; Y285-F299 HydrophobicContact CE1-CE2 3.29Å; Y285-F299 HydrophobicContact CE1-CZ 4.19Å; Y296-F299 VanDerWaalsContact C-CE2 3.43Å; Y296-F299 WeakPolarHBondContact O-CE2 3.38Å; F299-Q303 HydrophobicContact CB-CB 4.43Å; F299-M304 HydrophobicContact CB-CG 3.99Å; F299-M304 HydrophobicContact CB-SD 3.95Å; F299-M304 HydrophobicContact CD2-SD 4.06Å; F299-M304 HydrophobicContact CG-SD 4.32Å; F299-W307 HydrophobicContact CB-CZ3 4.34Å; F299-W307 AromaticContact CD1-CH2 3.47Å; F299-W307 HydrophobicContact CD1-CH2 3.47Å; F299-W307 VanDerWaalsContact CD1-CH2 3.47Å; F299-W307 HydrophobicContact CD1-CZ2 4.46Å; F299-W307 AromaticContact CD1-CZ3 3.92Å; F299-W307 HydrophobicContact CD1-CZ3 3.92Å; F299-W307 AromaticContact CD2-CH2 3.98Å; F299-W307 HydrophobicContact CD2-CH2 3.98Å; F299-W307 AromaticContact CD2-CZ3 3.65Å; F299-W307 HydrophobicContact CD2-CZ3 3.65Å; F299-W307 AromaticContact CE1-CH2 3.44Å; F299-W307 HydrophobicContact CE1-CH2 3.44Å; F299-W307 VanDerWaalsContact CE1-CH2 3.44Å; F299-W307 HydrophobicContact CE1-CZ2 4.43Å; F299-W307 HydrophobicContact CE1-CZ3 4.14Å; F299-W307 AromaticContact CE2-CH2 3.92Å; F299-W307 HydrophobicContact CE2-CH2 3.92Å; F299-W307 AromaticContact CE2-CZ3 3.85Å; F299-W307 HydrophobicContact CE2-CZ3 3.85Å; F299-W307 AromaticContact CG-CH2 3.75Å; F299-W307 HydrophobicContact CG-CH2 3.75Å; F299-W307 AromaticContact CG-CZ3 3.67Å; F299-W307 HydrophobicContact CG-CZ3 3.67Å; F299-W307 AromaticContact CZ-CH2 3.66Å; F299-W307 HydrophobicContact CZ-CH2 3.66Å; F299-W307 HydrophobicContact CZ-CZ3 4.09Å
300T92.2Very high88.1Confident47 Ų4767.5 Ų67.529%0.28840%0.396SS..EExtended strand (participates in β ladder)trans-70.2155.8173.657.80000110.9A302 Q303 M304T300-A302 PolarHBondContact O-N 3.47Å; T300-Q303 PolarHBondContact O-N 2.98Å; T300-Q303 VanDerWaalsContact OG1-CD 3.28Å; T300-Q303 VanDerWaalsContact OG1-CG 3.23Å; T300-Q303 WeakPolarHBondContact OG1-CG 3.39Å; T300-Q303 PolarHBondContact OG1-N 3.16Å; T300-Q303 PolarHBondContact OG1-OE1 3.14Å; T300-Q303 VanDerWaalsContact OG1-OE1 3.13Å; T300-M304 PolarHBondContact O-N 2.92Å; T300-M304 VanDerWaalsContact O-N 3.1Å
301S88.6Confident88.3Confident4 Ų466.9 Ų66.93%0.02840%0.401CS..Hα-helixtrans-52.4-41.7172.749.50000112.1M304 Q305 Y340 T341S301-M304 PolarHBondContact O-N 3.17Å; S301-Q305 WeakPolarHBondContact O-CB 3.43Å; S301-Q305 PolarHBondContact O-N 3.03Å; S301-Y340 WeakPolarHBondContact CB-O 3.39Å; S301-Y340 PolarHBondContact OG-O 3.18Å; S301-T341 WeakPolarHBondContact OG-CG2 3.48Å
302A90.4Very high88.9Confident46 Ų4669.5 Ų69.538%0.3838%0.384SS..Hα-helixtrans-64.3-40.1178.300000113.4T300 T306 T341T300-A302 PolarHBondContact O-N 3.47Å; A302-T306 PolarHBondContact O-N 2.93Å; A302-T306 PolarHBondContact O-OG1 3.32Å; A302-T341 HydrophobicContact CB-CG2 4.03Å
303Q90.5Very high89.4Confident87 Ų8763.7 Ų63.741%0.40735%0.352SS..Hα-helixtrans-65.4-47175.5-76.5166.3-24.700111.3F299 T300 Q305 T306 W307F299-Q303 HydrophobicContact CB-CB 4.43Å; T300-Q303 PolarHBondContact O-N 2.98Å; T300-Q303 VanDerWaalsContact OG1-CD 3.28Å; T300-Q303 VanDerWaalsContact OG1-CG 3.23Å; T300-Q303 WeakPolarHBondContact OG1-CG 3.39Å; T300-Q303 PolarHBondContact OG1-N 3.16Å; T300-Q303 PolarHBondContact OG1-OE1 3.14Å; T300-Q303 VanDerWaalsContact OG1-OE1 3.13Å; Q303-Q305 VanDerWaalsContact C-N 3.29Å; Q303-Q305 PolarHBondContact O-N 2.71Å; Q303-T306 WeakPolarHBondContact O-CB 3.12Å; Q303-T306 PolarHBondContact O-N 3.17Å; Q303-T306 VanDerWaalsContact O-N 3.16Å; Q303-W307 PolarHBondContact O-N 3.37Å; Q303-W307 VanDerWaalsContact O-N 3.07Å
304M89Confident89.3Confident0 Ų066.9 Ų66.90%037%0.371CS..Hα-helixtrans-59.6-41.8177.7-69.9-60.5-61.400111.7W283 Y285 F299 T300 S301 W307 V308 F313 C319 F337W283-M304 HydrophobicContact CB-CG 3.9Å; W283-M304 HydrophobicContact CG-CG 4.2Å; Y285-M304 HydrophobicContact CD1-CE 4Å; Y285-M304 HydrophobicContact CD1-SD 3.83Å; Y285-M304 HydrophobicContact CE1-SD 4.49Å; Y285-M304 HydrophobicContact CG-CE 4.24Å; F299-M304 HydrophobicContact CB-CG 3.99Å; F299-M304 HydrophobicContact CB-SD 3.95Å; F299-M304 HydrophobicContact CD2-SD 4.06Å; F299-M304 HydrophobicContact CG-SD 4.32Å; T300-M304 PolarHBondContact O-N 2.92Å; T300-M304 VanDerWaalsContact O-N 3.1Å; S301-M304 PolarHBondContact O-N 3.17Å; M304-W307 PolarHBondContact O-N 3.29Å; M304-W307 HydrophobicContact SD-CE3 3.78Å; M304-W307 HydrophobicContact SD-CZ3 3.8Å; M304-V308 VanDerWaalsContact O-CG2 3.32Å; M304-V308 WeakPolarHBondContact O-CG2 3.23Å; M304-V308 PolarHBondContact O-N 2.88Å; M304-F313 HydrophobicContact CE-CE2 3.97Å; M304-F313 HydrophobicContact CE-CZ 4.37Å; M304-C319 HydrophobicContact CE-CB 4.47Å; M304-C319 WeakPolarHBondContact CE-SG 3.37Å; M304-F337 HydrophobicContact CB-CD1 3.71Å; M304-F337 HydrophobicContact CB-CD2 4.42Å; M304-F337 HydrophobicContact CB-CE1 3.61Å; M304-F337 HydrophobicContact CB-CE2 4.35Å; M304-F337 HydrophobicContact CB-CG 4.12Å; M304-F337 HydrophobicContact CB-CZ 3.95Å; M304-F337 HydrophobicContact CE-CE1 4.3Å; M304-F337 HydrophobicContact CE-CZ 3.95Å; M304-F337 HydrophobicContact CG-CD1 4.49Å; M304-F337 HydrophobicContact CG-CE1 4.09Å
305Q88.3Confident89Confident52 Ų5267.1 Ų67.124%0.24338%0.376CS..Hα-helixtrans-62.3-43.9175.2-177.2-176.10.800112.5S301 Q303 W307 V308 S309 F337 D338S301-Q305 WeakPolarHBondContact O-CB 3.43Å; S301-Q305 PolarHBondContact O-N 3.03Å; Q303-Q305 VanDerWaalsContact C-N 3.29Å; Q303-Q305 PolarHBondContact O-N 2.71Å; Q305-W307 VanDerWaalsContact C-N 3.3Å; Q305-W307 PolarHBondContact O-N 2.9Å; Q305-V308 PolarHBondContact O-N 2.9Å; Q305-S309 WeakPolarHBondContact O-CB 3.42Å; Q305-S309 PolarHBondContact O-N 3.1Å; Q305-S309 PolarHBondContact O-OG 2.85Å; Q305-F337 HydrophobicContact CB-CB 3.98Å; Q305-D338 PolarHBondContact NE2-OD1 2.92Å; Q305-D338 PolarHBondContact OE1-OD1 3.01Å
306T92.3Very high88.9Confident66 Ų6663.6 Ų63.641%0.40536%0.36SS..Hα-helixtrans-58.6-45.9178.8-57.90000110.1A302 Q303 V308 S309 E310A302-T306 PolarHBondContact O-N 2.93Å; A302-T306 PolarHBondContact O-OG1 3.32Å; Q303-T306 WeakPolarHBondContact O-CB 3.12Å; Q303-T306 PolarHBondContact O-N 3.17Å; Q303-T306 VanDerWaalsContact O-N 3.16Å; T306-V308 PolarHBondContact O-N 2.92Å; T306-S309 PolarHBondContact O-N 3.14Å; T306-E310 HydrophobicContact CG2-CG 4.36Å; T306-E310 WeakPolarHBondContact O-CB 3Å; T306-E310 WeakPolarHBondContact O-CG 3.42Å; T306-E310 PolarHBondContact O-N 3.38Å
307W91.6Very high88.9Confident61 Ų6159.9 Ų59.923%0.23135%0.346CS..Hα-helixtrans-66.7-37.1178-65.3-22.6000114.2Y285 F299 Q303 M304 Q305 S309 G311 Y312 F313Y285-W307 HydrophobicContact CD1-CZ3 4.29Å; Y285-W307 HydrophobicContact CE1-CE3 4.3Å; Y285-W307 HydrophobicContact CE1-CH2 4.41Å; Y285-W307 AromaticContact CE1-CZ3 3.64Å; Y285-W307 HydrophobicContact CE1-CZ3 3.64Å; F299-W307 HydrophobicContact CB-CZ3 4.34Å; F299-W307 AromaticContact CD1-CH2 3.47Å; F299-W307 HydrophobicContact CD1-CH2 3.47Å; F299-W307 VanDerWaalsContact CD1-CH2 3.47Å; F299-W307 HydrophobicContact CD1-CZ2 4.46Å; F299-W307 AromaticContact CD1-CZ3 3.92Å; F299-W307 HydrophobicContact CD1-CZ3 3.92Å; F299-W307 AromaticContact CD2-CH2 3.98Å; F299-W307 HydrophobicContact CD2-CH2 3.98Å; F299-W307 AromaticContact CD2-CZ3 3.65Å; F299-W307 HydrophobicContact CD2-CZ3 3.65Å; F299-W307 AromaticContact CE1-CH2 3.44Å; F299-W307 HydrophobicContact CE1-CH2 3.44Å; F299-W307 VanDerWaalsContact CE1-CH2 3.44Å; F299-W307 HydrophobicContact CE1-CZ2 4.43Å; F299-W307 HydrophobicContact CE1-CZ3 4.14Å; F299-W307 AromaticContact CE2-CH2 3.92Å; F299-W307 HydrophobicContact CE2-CH2 3.92Å; F299-W307 AromaticContact CE2-CZ3 3.85Å; F299-W307 HydrophobicContact CE2-CZ3 3.85Å; F299-W307 AromaticContact CG-CH2 3.75Å; F299-W307 HydrophobicContact CG-CH2 3.75Å; F299-W307 AromaticContact CG-CZ3 3.67Å; F299-W307 HydrophobicContact CG-CZ3 3.67Å; F299-W307 AromaticContact CZ-CH2 3.66Å; F299-W307 HydrophobicContact CZ-CH2 3.66Å; F299-W307 HydrophobicContact CZ-CZ3 4.09Å; Q303-W307 PolarHBondContact O-N 3.37Å; Q303-W307 VanDerWaalsContact O-N 3.07Å; M304-W307 PolarHBondContact O-N 3.29Å; M304-W307 HydrophobicContact SD-CE3 3.78Å; M304-W307 HydrophobicContact SD-CZ3 3.8Å; Q305-W307 VanDerWaalsContact C-N 3.3Å; Q305-W307 PolarHBondContact O-N 2.9Å; W307-S309 VanDerWaalsContact C-N 3.32Å; W307-G311 PolarHBondContact O-N 3.26Å; W307-G311 VanDerWaalsContact O-N 3.12Å; W307-Y312 HydrophobicContact CB-CD2 4.41Å; W307-Y312 HydrophobicContact CG-CD2 4.46Å; W307-Y312 WeakPolarHBondContact O-CB 3.4Å; W307-Y312 PolarHBondContact O-N 2.9Å; W307-F313 HydrophobicContact CB-CD2 4.2Å; W307-F313 HydrophobicContact CB-CE2 3.6Å; W307-F313 HydrophobicContact CB-CZ 4.11Å; W307-F313 HydrophobicContact CD2-CZ 4.39Å; W307-F313 HydrophobicContact CE3-CE2 4.01Å; W307-F313 AromaticContact CE3-CZ 3.73Å; W307-F313 HydrophobicContact CE3-CZ 3.73Å; W307-F313 HydrophobicContact CG-CE2 4.47Å; W307-F313 HydrophobicContact CZ3-CZ 4.48Å
308V87.9Confident89Confident62 Ų6261.5 Ų61.538%0.37634%0.341SS..Hα-helixtrans-63.5-41.6172.5172.30000110.6M304 Q305 T306 G311 F313 F337M304-V308 VanDerWaalsContact O-CG2 3.32Å; M304-V308 WeakPolarHBondContact O-CG2 3.23Å; M304-V308 PolarHBondContact O-N 2.88Å; Q305-V308 PolarHBondContact O-N 2.9Å; T306-V308 PolarHBondContact O-N 2.92Å; V308-G311 PolarHBondContact O-N 3.5Å; V308-F313 HydrophobicContact CG2-CD2 3.87Å; V308-F313 HydrophobicContact CG2-CE2 4.47Å; V308-F337 HydrophobicContact CG2-CD2 4.22Å; V308-F337 HydrophobicContact CG2-CE2 3.85Å
309S88Confident89.1Confident94 Ų9457.6 Ų57.666%0.65732%0.316SS*.Hα-helixtrans-70.9-38.4-178.9-56.10000112.9Q305 T306 W307 G311Q305-S309 WeakPolarHBondContact O-CB 3.42Å; Q305-S309 PolarHBondContact O-N 3.1Å; Q305-S309 PolarHBondContact O-OG 2.85Å; T306-S309 PolarHBondContact O-N 3.14Å; W307-S309 VanDerWaalsContact C-N 3.32Å; S309-G311 PolarHBondContact O-N 2.94Å
310E91.1Very high88.9Confident126 Ų12657.7 Ų57.759%0.58932%0.315SS*.Hα-helixtrans-73.6-12.3174.4-72178169.400112.7T306 Y312T306-E310 HydrophobicContact CG2-CG 4.36Å; T306-E310 WeakPolarHBondContact O-CB 3Å; T306-E310 WeakPolarHBondContact O-CG 3.42Å; T306-E310 PolarHBondContact O-N 3.38Å; E310-Y312 HydrophobicContact CB-CD2 3.88Å; E310-Y312 HydrophobicContact CB-CE2 4.19Å; E310-Y312 WeakPolarHBondContact OE2-CE2 3.39Å
311G87.7Confident88.8Confident44 Ų4458.8 Ų58.845%0.45432%0.316SS..THydrogen-bonded Turntrans81.523.4177.300000114.4W307 V308 S309 F313W307-G311 PolarHBondContact O-N 3.26Å; W307-G311 VanDerWaalsContact O-N 3.12Å; V308-G311 PolarHBondContact O-N 3.5Å; S309-G311 PolarHBondContact O-N 2.94Å; G311-F313 PolarHBondContact O-N 2.84Å
312Y87.1Confident88.5Confident146 Ų14661 Ų6157%0.57333%0.327SS*.SBendtrans-61.7-23.9174.1-89.7-86.5000113.1W307 E310 P314W307-Y312 HydrophobicContact CB-CD2 4.41Å; W307-Y312 HydrophobicContact CG-CD2 4.46Å; W307-Y312 WeakPolarHBondContact O-CB 3.4Å; W307-Y312 PolarHBondContact O-N 2.9Å; E310-Y312 HydrophobicContact CB-CD2 3.88Å; E310-Y312 HydrophobicContact CB-CE2 4.19Å; E310-Y312 WeakPolarHBondContact OE2-CE2 3.39Å; Y312-P314 VanDerWaalsContact C-CD 3.4Å; Y312-P314 WeakPolarHBondContact O-CD 3.31Å
313F88.1Confident88Confident16 Ų1664.5 Ų64.57%0.0734%0.339CS..  trans-115.369.3-178.2-53.2-48.5000112Y285 W287 M304 W307 V308 G311 D315 G316 V317Y285-F313 HydrophobicContact CD1-CZ 4.31Å; Y285-F313 HydrophobicContact CD2-CE1 4.23Å; Y285-F313 HydrophobicContact CD2-CZ 4.36Å; Y285-F313 HydrophobicContact CE1-CZ 4.09Å; Y285-F313 AromaticContact CE2-CE1 3.87Å; Y285-F313 HydrophobicContact CE2-CE1 3.87Å; Y285-F313 HydrophobicContact CE2-CZ 4.18Å; Y285-F313 HydrophobicContact CG-CZ 4.44Å; W287-F313 AromaticContact CH2-CD1 3.62Å; W287-F313 HydrophobicContact CH2-CD1 3.62Å; W287-F313 AromaticContact CH2-CE1 3.76Å; W287-F313 HydrophobicContact CH2-CE1 3.76Å; W287-F313 HydrophobicContact CZ2-CD1 4.4Å; W287-F313 HydrophobicContact CZ2-CE1 4.09Å; W287-F313 AromaticContact CZ3-CD1 3.8Å; W287-F313 HydrophobicContact CZ3-CD1 3.8Å; W287-F313 HydrophobicContact CZ3-CE1 4.29Å; M304-F313 HydrophobicContact CE-CE2 3.97Å; M304-F313 HydrophobicContact CE-CZ 4.37Å; W307-F313 HydrophobicContact CB-CD2 4.2Å; W307-F313 HydrophobicContact CB-CE2 3.6Å; W307-F313 HydrophobicContact CB-CZ 4.11Å; W307-F313 HydrophobicContact CD2-CZ 4.39Å; W307-F313 HydrophobicContact CE3-CE2 4.01Å; W307-F313 AromaticContact CE3-CZ 3.73Å; W307-F313 HydrophobicContact CE3-CZ 3.73Å; W307-F313 HydrophobicContact CG-CE2 4.47Å; W307-F313 HydrophobicContact CZ3-CZ 4.48Å; V308-F313 HydrophobicContact CG2-CD2 3.87Å; V308-F313 HydrophobicContact CG2-CE2 4.47Å; G311-F313 PolarHBondContact O-N 2.84Å; F313-D315 PolarHBondContact O-N 3.24Å; F313-G316 PolarHBondContact O-N 3.45Å; F313-G316 VanDerWaalsContact O-N 3.14Å; F313-V317 HydrophobicContact CB-CG1 4.19Å; F313-V317 HydrophobicContact CB-CG2 4.15Å; F313-V317 HydrophobicContact CD1-CB 4.08Å; F313-V317 HydrophobicContact CD1-CG1 3.27Å; F313-V317 HydrophobicContact CD1-CG2 3.62Å; F313-V317 HydrophobicContact CD2-CG2 3.69Å; F313-V317 HydrophobicContact CE1-CB 4.39Å; F313-V317 HydrophobicContact CE1-CG1 3.76Å; F313-V317 HydrophobicContact CE1-CG2 3.81Å; F313-V317 HydrophobicContact CE2-CG2 3.88Å; F313-V317 HydrophobicContact CG-CB 4.33Å; F313-V317 HydrophobicContact CG-CG1 3.86Å; F313-V317 HydrophobicContact CG-CG2 3.54Å; F313-V317 HydrophobicContact CZ-CG2 3.93Å
314P82.1Confident87.4Confident94 Ų9464.4 Ų64.461%0.6135%0.346SS*.SBendtrans-61.9-44.1-17524.2-33.4000112.7Y312 G316 K333Y312-P314 VanDerWaalsContact C-CD 3.4Å; Y312-P314 WeakPolarHBondContact O-CD 3.31Å; P314-G316 VanDerWaalsContact C-N 3.3Å; P314-K333 WeakPolarHBondContact O-CE 3.42Å; P314-K333 PolarHBondContact O-NZ 3.06Å
315D83.8Confident86.6Confident140 Ų14070 Ų7075%0.74938%0.382SS*.SBendtrans-84.1-7.6178.2-69.7-34000113.3F313 K333F313-D315 PolarHBondContact O-N 3.24Å; D315-K333 PolarHBondContact O-NZ 2.74Å
316G86Confident85.8Confident10 Ų1070.3 Ų70.310%0.10340%0.4CS..  trans79.1140.9-17100000111.2F313 P314 S332F313-G316 PolarHBondContact O-N 3.45Å; F313-G316 VanDerWaalsContact O-N 3.14Å; P314-G316 VanDerWaalsContact C-N 3.3Å; G316-S332 WeakPolarHBondContact CA-OG 3.43Å
317V90.7Very high85.1Confident1 Ų168.5 Ų68.51%0.00640%0.395CS..  trans-110160.6-179.6-71.40000110.5Y285 W287 F313 C319 N331 S332Y285-V317 HydrophobicContact CD2-CB 4.07Å; Y285-V317 HydrophobicContact CD2-CG1 4.25Å; Y285-V317 HydrophobicContact CD2-CG2 4.11Å; Y285-V317 HydrophobicContact CG-CG2 4.31Å; W287-V317 HydrophobicContact CD2-CG1 3.99Å; W287-V317 HydrophobicContact CE3-CG1 3.4Å; W287-V317 HydrophobicContact CH2-CG1 4.29Å; W287-V317 HydrophobicContact CZ3-CG1 3.57Å; F313-V317 HydrophobicContact CB-CG1 4.19Å; F313-V317 HydrophobicContact CB-CG2 4.15Å; F313-V317 HydrophobicContact CD1-CB 4.08Å; F313-V317 HydrophobicContact CD1-CG1 3.27Å; F313-V317 HydrophobicContact CD1-CG2 3.62Å; F313-V317 HydrophobicContact CD2-CG2 3.69Å; F313-V317 HydrophobicContact CE1-CB 4.39Å; F313-V317 HydrophobicContact CE1-CG1 3.76Å; F313-V317 HydrophobicContact CE1-CG2 3.81Å; F313-V317 HydrophobicContact CE2-CG2 3.88Å; F313-V317 HydrophobicContact CG-CB 4.33Å; F313-V317 HydrophobicContact CG-CG1 3.86Å; F313-V317 HydrophobicContact CG-CG2 3.54Å; F313-V317 HydrophobicContact CZ-CG2 3.93Å; V317-C319 PolarHBondContact O-N 2.7Å; V317-N331 CarbonylContact O-C 3.51Å; V317-N331 WeakPolarHBondContact O-CA 3.48Å; V317-S332 PolarHBondContact N-OG 3.46Å; V317-S332 WeakPolarHBondContact O-CB 3.18Å; V317-S332 PolarHBondContact O-N 3.05Å
318Y92Very high84.8Confident70 Ų7071.3 Ų71.328%0.27541%0.41SS..EExtended strand (participates in β ladder)trans-89.7107.7179.5-75.9-86.7000109.8Y285 K286 N289 F329 Y330Y285-Y318 CarbonylContact C-O 3.56Å; Y285-Y318 WeakPolarHBondContact CA-O 3.49Å; K286-Y318 PolarHBondContact N-O 2.77Å; K286-Y318 PolarHBondContact O-N 3.27Å; N289-Y318 HydrophobicContact CB-CD1 4.1Å; N289-Y318 HydrophobicContact CB-CD2 4.01Å; N289-Y318 HydrophobicContact CB-CE1 3.81Å; N289-Y318 HydrophobicContact CB-CE2 3.73Å; N289-Y318 HydrophobicContact CB-CG 4.19Å; Y318-F329 HydrophobicContact CD1-CB 4.32Å; Y318-F329 WeakPolarHBondContact O-CD1 3.13Å; Y318-Y330 CarbonylContact C-O 3.58Å; Y318-Y330 WeakPolarHBondContact CA-O 3.32Å
319C90.9Very high84.9Confident0 Ų070.1 Ų70.10%040%0.4CS..EExtended strand (participates in β ladder)trans-107.1150.2-178.1-52.40000112.2W283 E284 M304 V317 Y330 I335 F337W283-C319 HydrophobicContact CE3-CB 4.1Å; E284-C319 CarbonylContact O-C 3.46Å; E284-C319 WeakPolarHBondContact O-CA 3.44Å; M304-C319 HydrophobicContact CE-CB 4.47Å; M304-C319 WeakPolarHBondContact CE-SG 3.37Å; V317-C319 PolarHBondContact O-N 2.7Å; C319-Y330 PolarHBondContact N-O 2.99Å; C319-Y330 PolarHBondContact O-N 2.83Å; C319-I335 HydrophobicContact CB-CD1 3.7Å; C319-F337 HydrophobicContact CB-CZ 4.36Å
320R89.6Confident85Confident45 Ų4571.9 Ų71.917%0.1739%0.393CS..EExtended strand (participates in β ladder)trans-142.1144.8176.7175.5179.876.81733.9109.9W283 E284 G327 F329W283-R320 CarbonylContact C-O 3.55Å; W283-R320 WeakPolarHBondContact CA-O 3.49Å; E284-R320 PolarHBondContact N-O 3.01Å; E284-R320 PolarHBondContact O-N 3.49Å; E284-R320 IonicContact OE2-CZ 3.25Å; E284-R320 IonicContact OE2-NE 2.82Å; E284-R320 PolarHBondContact OE2-NE 2.92Å; E284-R320 IonicContact OE2-NH2 2.77Å; E284-R320 PolarHBondContact OE2-NH2 3.02Å; R320-G327 WeakPolarHBondContact CD-O 3.44Å; R320-G327 PolarHBondContact NH1-O 2.85Å; R320-F329 HydrophobicContact CB-CD1 3.71Å; R320-F329 HydrophobicContact CB-CE1 3.82Å; R320-F329 HydrophobicContact CB-CG 4.28Å; R320-F329 HydrophobicContact CB-CZ 4.47Å
321K89.5Confident85Confident71 Ų7167.6 Ų67.631%0.30937%0.374SS..EExtended strand (participates in β ladder)trans-77.1138.2170.2-61.6-175.1-70.3-175.90110.7V281 W283 D323 Y340V281-K321 HydrophobicContact CG1-CB 4.15Å; V281-K321 HydrophobicContact CG1-CD 3.6Å; V281-K321 HydrophobicContact CG1-CG 3.67Å; W283-K321 HydrophobicContact CD2-CG 4.11Å; W283-K321 HydrophobicContact CE3-CG 3.79Å; W283-K321 HydrophobicContact CH2-CD 3.74Å; W283-K321 HydrophobicContact CH2-CG 3.37Å; W283-K321 HydrophobicContact CZ2-CD 3.93Å; W283-K321 HydrophobicContact CZ2-CG 3.68Å; W283-K321 HydrophobicContact CZ3-CD 4.29Å; W283-K321 HydrophobicContact CZ3-CG 3.43Å; W283-K321 VanDerWaalsContact CZ3-CG 3.43Å; K321-D323 VanDerWaalsContact C-N 3.35Å; K321-Y340 HydrophobicContact CD-CE1 4.06Å; K321-Y340 PolarHBondContact NZ-OH 3.11Å
322L82.5Confident84.9Confident51 Ų5165.8 Ų65.827%0.26736%0.355SS..SBendtrans-71.9-29.9177.5-86.5167.7000113.4M282 E284 P298 P324 P325M282-L322 HydrophobicContact CB-CB 4.22Å; M282-L322 HydrophobicContact CB-CD1 3.65Å; M282-L322 HydrophobicContact CB-CG 4.46Å; M282-L322 PolarHBondContact O-N 3.12Å; E284-L322 HydrophobicContact CG-CD1 4.04Å; E284-L322 HydrophobicContact CG-CD2 3.76Å; E284-L322 HydrophobicContact CG-CG 3.79Å; E284-L322 VanDerWaalsContact OE1-CD2 3.29Å; E284-L322 WeakPolarHBondContact OE1-CD2 3.34Å; P298-L322 HydrophobicContact CB-CD1 3.46Å; P298-L322 VanDerWaalsContact CB-CD1 3.46Å; P298-L322 HydrophobicContact CG-CD1 4.49Å; L322-P324 CarbonylContact O-C 3.16Å; L322-P325 WeakPolarHBondContact O-CA 3.15Å; L322-P325 VanDerWaalsContact O-N 3.12Å
323D79.5Confident84.9Confident118 Ų11865.2 Ų65.263%0.63136%0.355SS*.SBendtrans-109.6115.6172.5-168.814.9000109.7K321K321-D323 VanDerWaalsContact C-N 3.35Å
324P77.1Confident84.9Confident86 Ų8674.2 Ų74.256%0.55839%0.389SS*.SBendcis-78.5149.40.929.6-33.8000114.6L322 G326 G327L322-P324 CarbonylContact O-C 3.16Å; P324-G326 PolarHBondContact O-N 2.87Å; P324-G327 PolarHBondContact O-N 3.46Å
325P72.7Confident85.2Confident116 Ų11670.7 Ų70.775%0.75337%0.365SS*.THydrogen-bonded Turntrans-64127.1179.425.7-33.8000110.5L322L322-P325 WeakPolarHBondContact O-CA 3.15Å; L322-P325 VanDerWaalsContact O-N 3.12Å
326G71.5Confident85.4Confident59 Ų5969.2 Ų69.261%0.60836%0.356SS*.THydrogen-bonded Turntrans94.616.6178.900000115.7P324P324-G326 PolarHBondContact O-N 2.87Å
327G78.6Confident85.5Confident29 Ų2969.1 Ų69.130%0.29935%0.353SS..PPolyproline II helixtrans-54.7166.6171.600000114.8R320 P324R320-G327 WeakPolarHBondContact CD-O 3.44Å; R320-G327 PolarHBondContact NH1-O 2.85Å; P324-G327 PolarHBondContact O-N 3.46Å
328Q85.4Confident85.2Confident120 Ų12074 Ų7456%0.56138%0.379SS*.PPolyproline II helixtrans-77.7145172.3-177.659.651.900110.4Y330Q328-Y330 HydrophobicContact CB-CE2 4.14Å; Q328-Y330 VanDerWaalsContact O-CD2 3.27Å; Q328-Y330 WeakPolarHBondContact O-CD2 3.3Å; Q328-Y330 WeakPolarHBondContact O-CE2 3.48Å
329F89.1Confident84.8Confident36 Ų3677 Ų7716%0.15840%0.4CS..PPolyproline II helixtrans-76.5132.5170.5-71.5-83.8000111.3K286 L295 Y318 R320K286-F329 HydrophobicContact CD-CD1 4.18Å; K286-F329 HydrophobicContact CD-CD2 4.39Å; K286-F329 HydrophobicContact CD-CE1 3.95Å; K286-F329 HydrophobicContact CD-CE2 4.18Å; K286-F329 HydrophobicContact CD-CG 4.4Å; K286-F329 HydrophobicContact CD-CZ 3.96Å; K286-F329 HydrophobicContact CG-CD1 4.1Å; K286-F329 HydrophobicContact CG-CE1 4.01Å; K286-F329 HydrophobicContact CG-CZ 4.5Å; L295-F329 HydrophobicContact CD1-CE1 3.65Å; L295-F329 HydrophobicContact CD1-CZ 3.59Å; Y318-F329 HydrophobicContact CD1-CB 4.32Å; Y318-F329 WeakPolarHBondContact O-CD1 3.13Å; R320-F329 HydrophobicContact CB-CD1 3.71Å; R320-F329 HydrophobicContact CB-CE1 3.82Å; R320-F329 HydrophobicContact CB-CG 4.28Å; R320-F329 HydrophobicContact CB-CZ 4.47Å
330Y90Very high84.3Confident132 Ų13280.9 Ų80.952%0.51842%0.415SS..EExtended strand (participates in β ladder)trans-117.3144.8175.1-63.9-80.7000110Y318 C319 Q328 S332Y318-Y330 CarbonylContact C-O 3.58Å; Y318-Y330 WeakPolarHBondContact CA-O 3.32Å; C319-Y330 PolarHBondContact N-O 2.99Å; C319-Y330 PolarHBondContact O-N 2.83Å; Q328-Y330 HydrophobicContact CB-CE2 4.14Å; Q328-Y330 VanDerWaalsContact O-CD2 3.27Å; Q328-Y330 WeakPolarHBondContact O-CD2 3.3Å; Q328-Y330 WeakPolarHBondContact O-CE2 3.48Å; Y330-S332 PolarHBondContact O-N 2.97Å
331N90.2Very high83.5Confident36 Ų3684.2 Ų84.219%0.19344%0.44CS..EExtended strand (participates in β ladder)trans-65.3135.4174.3-172.9-65.9000109.8V317 K333 R334V317-N331 CarbonylContact O-C 3.51Å; V317-N331 WeakPolarHBondContact O-CA 3.48Å; N331-K333 PolarHBondContact O-N 2.78Å; N331-K333 VanDerWaalsContact O-N 3.13Å; N331-K333 WeakPolarHBondContact OD1-CB 3.16Å; N331-K333 PolarHBondContact OD1-N 3.4Å; N331-R334 WeakPolarHBondContact O-CB 3.44Å; N331-R334 PolarHBondContact O-N 3.17Å
332S87.5Confident83.2Confident5 Ų584.9 Ų84.94%0.03545%0.447CS..G310 helixtrans-57.1-29.2-176.262.90000112.9G316 V317 Y330 R334 I335G316-S332 WeakPolarHBondContact CA-OG 3.43Å; V317-S332 PolarHBondContact N-OG 3.46Å; V317-S332 WeakPolarHBondContact O-CB 3.18Å; V317-S332 PolarHBondContact O-N 3.05Å; Y330-S332 PolarHBondContact O-N 2.97Å; S332-R334 PolarHBondContact O-N 3.29Å; S332-I335 PolarHBondContact O-N 3.49Å; S332-I335 VanDerWaalsContact O-N 3.14Å
333K87.1Confident83.2Confident135 Ų13586.6 Ų86.659%0.58746%0.456SS*.G310 helixtrans-66.1-14.8174.6-64.9175.2174.8166.20113.8P314 D315 N331P314-K333 WeakPolarHBondContact O-CE 3.42Å; P314-K333 PolarHBondContact O-NZ 3.06Å; D315-K333 PolarHBondContact O-NZ 2.74Å; N331-K333 PolarHBondContact O-N 2.78Å; N331-K333 VanDerWaalsContact O-N 3.13Å; N331-K333 WeakPolarHBondContact OD1-CB 3.16Å; N331-K333 PolarHBondContact OD1-N 3.4Å
334R87.5Confident83.4Confident204 Ų20484.9 Ų84.977%0.7745%0.446SS*.G310 helixtrans-103.22.2178.5-57.6-178.362.780.53.4112.5N331 S332N331-R334 WeakPolarHBondContact O-CB 3.44Å; N331-R334 PolarHBondContact O-N 3.17Å; S332-R334 PolarHBondContact O-N 3.29Å
335I88.2Confident83.8Confident21 Ų2184.8 Ų84.811%0.10844%0.44CS..  trans-116.2118.6-176.3-60.5169.4000107.8W283 C319 S332 F337W283-I335 HydrophobicContact CH2-CD1 4.46Å; W283-I335 HydrophobicContact CH2-CG2 3.46Å; W283-I335 VanDerWaalsContact CH2-CG2 3.46Å; W283-I335 HydrophobicContact CZ2-CG2 4.15Å; W283-I335 HydrophobicContact CZ3-CD1 3.82Å; W283-I335 HydrophobicContact CZ3-CG2 3.84Å; C319-I335 HydrophobicContact CB-CD1 3.7Å; S332-I335 PolarHBondContact O-N 3.49Å; S332-I335 VanDerWaalsContact O-N 3.14Å; I335-F337 HydrophobicContact CB-CE2 4.33Å; I335-F337 HydrophobicContact CB-CZ 4.21Å; I335-F337 HydrophobicContact CG2-CD1 3.99Å; I335-F337 HydrophobicContact CG2-CD2 4.44Å; I335-F337 HydrophobicContact CG2-CE1 3.8Å; I335-F337 HydrophobicContact CG2-CE2 4.25Å; I335-F337 HydrophobicContact CG2-CG 4.31Å; I335-F337 HydrophobicContact CG2-CZ 3.94Å; I335-F337 PolarHBondContact O-N 3.41Å
336D88.2Confident84.5Confident108 Ų10882.9 Ų82.958%0.57842%0.42SS*.  trans-88.395.9171.4-62-41.1000108.5D338 L339D336-D338 PolarHBondContact O-N 3.5Å; D336-L339 HydrophobicContact CB-CD1 4.05Å; D336-L339 HydrophobicContact CB-CG 4.07Å; D336-L339 PolarHBondContact O-N 3.1Å
337F87.1Confident85.3Confident8 Ų884.5 Ų84.54%0.03541%0.408CS..G310 helixtrans-63.2-23.4-179.9-64.7-76.8000112.8W283 M304 Q305 V308 C319 I335 L339 Y340W283-F337 HydrophobicContact CD2-CD1 4.18Å; W283-F337 AromaticContact CD2-CE1 3.74Å; W283-F337 HydrophobicContact CD2-CE1 3.74Å; W283-F337 AromaticContact CE2-CD1 3.86Å; W283-F337 AromaticContact CE2-CE1 3.89Å; W283-F337 AromaticContact CE3-CE1 3.91Å; W283-F337 HydrophobicContact CE3-CE1 3.91Å; W283-F337 HydrophobicContact CG-CE1 4.2Å; W283-F337 HydrophobicContact CH2-CE1 4.34Å; W283-F337 HydrophobicContact CZ2-CD1 4.08Å; W283-F337 HydrophobicContact CZ2-CE1 4.21Å; W283-F337 HydrophobicContact CZ3-CE1 4.2Å; M304-F337 HydrophobicContact CB-CD1 3.71Å; M304-F337 HydrophobicContact CB-CD2 4.42Å; M304-F337 HydrophobicContact CB-CE1 3.61Å; M304-F337 HydrophobicContact CB-CE2 4.35Å; M304-F337 HydrophobicContact CB-CG 4.12Å; M304-F337 HydrophobicContact CB-CZ 3.95Å; M304-F337 HydrophobicContact CE-CE1 4.3Å; M304-F337 HydrophobicContact CE-CZ 3.95Å; M304-F337 HydrophobicContact CG-CD1 4.49Å; M304-F337 HydrophobicContact CG-CE1 4.09Å; Q305-F337 HydrophobicContact CB-CB 3.98Å; V308-F337 HydrophobicContact CG2-CD2 4.22Å; V308-F337 HydrophobicContact CG2-CE2 3.85Å; C319-F337 HydrophobicContact CB-CZ 4.36Å; I335-F337 HydrophobicContact CB-CE2 4.33Å; I335-F337 HydrophobicContact CB-CZ 4.21Å; I335-F337 HydrophobicContact CG2-CD1 3.99Å; I335-F337 HydrophobicContact CG2-CD2 4.44Å; I335-F337 HydrophobicContact CG2-CE1 3.8Å; I335-F337 HydrophobicContact CG2-CE2 4.25Å; I335-F337 HydrophobicContact CG2-CG 4.31Å; I335-F337 HydrophobicContact CG2-CZ 3.94Å; I335-F337 PolarHBondContact O-N 3.41Å; F337-L339 PolarHBondContact O-N 3.14Å; F337-Y340 PolarHBondContact O-N 3.31Å
338D84.6Confident85.8Confident103 Ų10388.4 Ų88.455%0.55142%0.416SS*.G310 helixtrans-58.3-22.6174-75-50000114.2Q305 D336 Y340 T341Q305-D338 PolarHBondContact NE2-OD1 2.92Å; Q305-D338 PolarHBondContact OE1-OD1 3.01Å; D336-D338 PolarHBondContact O-N 3.5Å; D338-Y340 PolarHBondContact O-N 3Å; D338-T341 WeakPolarHBondContact CA-OG1 3.4Å; D338-T341 PolarHBondContact O-OG1 3.31Å
339L83.5Confident85.9Confident135 Ų13586 Ų8671%0.70740%0.404SS*.G310 helixtrans-76.1-4.1177.2-61.6178.7000112.6D336 F337D336-L339 HydrophobicContact CB-CD1 4.05Å; D336-L339 HydrophobicContact CB-CG 4.07Å; D336-L339 PolarHBondContact O-N 3.1Å; F337-L339 PolarHBondContact O-N 3.14Å
340Y81Confident85.6Confident80 Ų8090.2 Ų90.231%0.31443%0.425SS..G310 helixtrans-129.710-174.1-55.8-82000112.7V281 W283 S301 K321 F337 D338V281-Y340 HydrophobicContact CB-CD1 4.08Å; V281-Y340 HydrophobicContact CB-CG 4.45Å; V281-Y340 HydrophobicContact CG1-CD1 4.22Å; V281-Y340 HydrophobicContact CG2-CD1 3.59Å; V281-Y340 HydrophobicContact CG2-CE1 4.23Å; V281-Y340 HydrophobicContact CG2-CG 4.37Å; W283-Y340 HydrophobicContact CH2-CD2 4.35Å; W283-Y340 AromaticContact CH2-CE2 3.93Å; W283-Y340 HydrophobicContact CH2-CE2 3.93Å; W283-Y340 AromaticContact CZ2-CD2 3.6Å; W283-Y340 HydrophobicContact CZ2-CD2 3.6Å; W283-Y340 AromaticContact CZ2-CE2 3.62Å; W283-Y340 HydrophobicContact CZ2-CE2 3.62Å; W283-Y340 HydrophobicContact CZ2-CG 4.08Å; S301-Y340 WeakPolarHBondContact CB-O 3.39Å; S301-Y340 PolarHBondContact OG-O 3.18Å; K321-Y340 HydrophobicContact CD-CE1 4.06Å; K321-Y340 PolarHBondContact NZ-OH 3.11Å; F337-Y340 PolarHBondContact O-N 3.31Å; D338-Y340 PolarHBondContact O-N 3Å
341T72.1Confident85.2Confident115 Ų11586.4 Ų86.471%0.70642%0.416SS*.  trans-108.40178.948.80000113.2S301 A302 D338S301-T341 WeakPolarHBondContact OG-CG2 3.48Å; A302-T341 HydrophobicContact CB-CG2 4.03Å; D338-T341 WeakPolarHBondContact CA-OG1 3.4Å; D338-T341 PolarHBondContact O-OG1 3.31Å

Retrieved 341 of 341 residues in 132.5 ms (Link to these results)