A0A077ZI38_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZI38, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 249 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
1M41.3Very low47.7Very low254 Ų254164.9 Ų164.9100%1.25185%0.845SS**  0131.60-67.5-175.4-169.800107.8
2E43.1Very low48.1Very low155 Ų155163.3 Ų163.372%0.72484%0.839SS**  trans-98.5140-163.2-173.7175.7-176.400111.5
3K45.6Very low48.5Very low180 Ų180158.8 Ų158.878%0.78383%0.831SS**  trans40.1125.7153.6-63168.9-171153.10120.8
4G37.3Very low49.2Very low82 Ų82160 Ų16085%0.84583%0.83SS**  112.3107.411900000116.9
5A51.7Low49.4Very low88 Ų88161.8 Ų161.873%0.72783%0.829SS**  trans-160.581.1147.100000109.1R7A5-R7 PolarHBondContact O-N 2.89Å
6H47.6Very low49.6Very low194 Ų194167.4 Ų167.490%0.89884%0.836SS**PPolyproline II helixtrans-64.9116.5155-100.8-88.9000106.5
7R55.2Low50.1Low232 Ų232164.3 Ų164.388%0.87582%0.823SS**PPolyproline II helixtrans-102.3129.2166.9-77-174.6177.5154.2-0.1109.1A5A5-R7 PolarHBondContact O-N 2.89Å
8D52.8Low50.5Low147 Ų147165.1 Ų165.179%0.78682%0.823SS**PPolyproline II helixtrans-57.9140.2-168.8-66.1-59.1000114.3S10D8-S10 PolarHBondContact O-N 2.95Å
9R44Very low50.3Low229 Ų229167.7 Ų167.786%0.86483%0.83SS**PPolyproline II helixtrans-62.9117.6163-66.2174.1-178.1150.4-0.4108.1
10S54.2Low50Low111 Ų111162.9 Ų162.978%0.77682%0.824SS**  trans-103.491.3161-50.40000106.6D8 D12D8-S10 PolarHBondContact O-N 2.95Å; S10-D12 PolarHBondContact O-N 2.9Å
11D51.7Low50.1Low142 Ų142163 Ų16376%0.75982%0.821SS**  trans-69.683.2168.9-72.6-43.5000108.1S13D11-S13 PolarHBondContact O-N 3.25Å
12D52.2Low50.3Low146 Ų146156.4 Ų156.478%0.78180%0.799SS**  trans-75.882.5172.8-147.9-7.2000108.6S10 E14S10-D12 PolarHBondContact O-N 2.9Å; D12-E14 VanDerWaalsContact C-N 3.3Å; D12-E14 PolarHBondContact O-N 3.21Å
13S54.2Low51Low105 Ų105157 Ų15773%0.73480%0.802SS**  trans-67.787.3173.6560000109.9D11 K15D11-S13 PolarHBondContact O-N 3.25Å; S13-K15 PolarHBondContact O-N 3.07Å
14E58.2Low51.2Low175 Ų175160 Ų16082%0.81881%0.808SS**  trans-59.4135.9171.4-77.4-172.5154.400110.8D12 R16D12-E14 VanDerWaalsContact C-N 3.3Å; D12-E14 PolarHBondContact O-N 3.21Å; E14-R16 PolarHBondContact O-N 3.09Å
15K52.1Low51.8Low187 Ų187167.7 Ų167.781%0.81381%0.812SS**  trans-60.8128.1-166.2-69.9156178.3168.10111.7S13 D17S13-K15 PolarHBondContact O-N 3.07Å; K15-D17 VanDerWaalsContact C-N 3.32Å; K15-D17 PolarHBondContact O-N 3.01Å
16R52.5Low52.1Low251 Ų251168.4 Ų168.495%0.94781%0.812SS**  trans-71.885.4162.4-76.6179-124.3175.8-0.8109.9E14E14-R16 PolarHBondContact O-N 3.09Å
17D57.8Low52.3Low115 Ų115164 Ų16462%0.61581%0.808SS**  trans-80.2131.1147.8-59.3-39.4000104.9K15K15-D17 VanDerWaalsContact C-N 3.32Å; K15-D17 PolarHBondContact O-N 3.01Å
18H56.8Low51.9Low178 Ų178163.9 Ų163.982%0.82481%0.808SS**  -162.2118.567-61.7-71.9000108G20H18-G20 VanDerWaalsContact C-N 3.29Å; H18-G20 PolarHBondContact O-N 2.73Å
19K46.8Very low51.6Low216 Ų216168 Ų16894%0.93981%0.813SS**  trans-70.892167.3-163158.8-177.3170.40107.3H21K19-H21 PolarHBondContact O-N 2.76Å
20G45.3Very low51.6Low70 Ų70167.3 Ų167.372%0.72282%0.816SS**  trans-51.5110.4174.800000110.1H18 C22H18-G20 VanDerWaalsContact C-N 3.29Å; H18-G20 PolarHBondContact O-N 2.73Å; G20-C22 PolarHBondContact O-N 2.95Å; G20-C22 VanDerWaalsContact O-N 3.13Å
21H52.5Low51.5Low165 Ų165167.3 Ų167.376%0.76482%0.816SS**  trans-68.2106.8177.5178.649.8000108.5K19 Q23K19-H21 PolarHBondContact O-N 2.76Å; H21-Q23 PolarHBondContact O-N 3.44Å
22C45.6Very low51.4Low117 Ų117166.6 Ų166.679%0.79182%0.822SS**  trans-67.499.2177-147.80000108.8G20 R24G20-C22 PolarHBondContact O-N 2.95Å; G20-C22 VanDerWaalsContact O-N 3.13Å; C22-R24 VanDerWaalsContact C-N 3.34Å; C22-R24 PolarHBondContact O-N 3.43Å
23Q56.4Low50.8Low167 Ų167162.6 Ų162.678%0.7882%0.816SS**  trans-6889.7172.8-72.6-178-14.900109.3H21 R25H21-Q23 PolarHBondContact O-N 3.44Å; Q23-R25 PolarHBondContact O-N 2.9Å; Q23-R25 VanDerWaalsContact O-N 3.14Å
24R49.5Very low50.1Low242 Ų242169.5 Ų169.591%0.91383%0.826SS**  trans-77.7102.2172.1-139.4174.7167.5174.5-4.6108.2C22 S26C22-R24 VanDerWaalsContact C-N 3.34Å; C22-R24 PolarHBondContact O-N 3.43Å; R24-S26 PolarHBondContact O-N 3.18Å; R24-S26 VanDerWaalsContact O-N 3.11Å
25R50.6Low49.4Very low244 Ų244170.4 Ų170.492%0.92183%0.827SS**  trans-46108.3175.3-66172.4174.9160.1-2.7110.9Q23 A27Q23-R25 PolarHBondContact O-N 2.9Å; Q23-R25 VanDerWaalsContact O-N 3.14Å; R25-A27 PolarHBondContact O-N 3.06Å
26S57.5Low49.1Very low104 Ų104166.4 Ų166.473%0.72782%0.822SS**  trans-82.6108.4165.3111.30000107.9R24 R28R24-S26 PolarHBondContact O-N 3.18Å; R24-S26 VanDerWaalsContact O-N 3.11Å; S26-R28 PolarHBondContact O-N 3.01Å
27A52.3Low48.5Very low100 Ų100166.5 Ų166.583%0.82682%0.823SS**  trans-75.978.7169.400000108.7R25 R29R25-A27 PolarHBondContact O-N 3.06Å; A27-R29 PolarHBondContact O-N 3.08Å
28R48.1Very low47.8Very low230 Ų230168.5 Ų168.587%0.86883%0.828SS**  trans-79.3104.1177-151.4172.3-172.1-166.91.7108.6S26 K30S26-R28 PolarHBondContact O-N 3.01Å; R28-K30 PolarHBondContact O-N 3.4Å
29R46.2Very low47.4Very low235 Ų235170.5 Ų170.589%0.88783%0.828SS**  trans-48.9131.5173.8-79174.6146170.1-7.3110.6A27 S31A27-R29 PolarHBondContact O-N 3.08Å; R29-S31 PolarHBondContact O-N 3.18Å
30K43.3Very low47.3Very low214 Ų214169.3 Ų169.393%0.9383%0.826SS**  trans-65.298.8170-67.2-174.9176.5-1780109R28R28-K30 PolarHBondContact O-N 3.4Å
31S52.8Low47.5Very low111 Ų111177.1 Ų177.178%0.77683%0.834SS**  trans-98.8100.615957.50000108R29 G33R29-S31 PolarHBondContact O-N 3.18Å; S31-G33 PolarHBondContact O-N 2.64Å
32S48.7Very low47.4Very low126 Ų126176.6 Ų176.688%0.88183%0.832SS**  trans-6581.9167.250.60000109.3
33G40.6Very low47.9Very low63 Ų63177.1 Ų177.165%0.64983%0.826SS**  trans-108.190.8174.700000109.7S31 K35S31-G33 PolarHBondContact O-N 2.64Å; G33-K35 PolarHBondContact O-N 3.26Å
34R38.9Very low47.7Very low250 Ų250173.6 Ų173.694%0.94383%0.826SS**  trans-57.2104.1163.6-80.7178.4169.4-177.6-2.8108.3
35K44.2Very low47.8Very low194 Ų194168 Ų16884%0.84381%0.814SS**  trans-139.9111.8157.5-79.8-160.8175179.90111.2G33G33-K35 PolarHBondContact O-N 3.26Å
36S44.5Very low47.9Very low102 Ų102162.8 Ų162.871%0.71380%0.8SS**  trans41.2100.7145.660.30000117.9E38S36-E38 VanDerWaalsContact C-N 3.28Å; S36-E38 PolarHBondContact O-N 2.95Å
37R40.3Very low47.7Very low254 Ų254165.1 Ų165.196%0.95880%0.799SS**  trans-52.182.1153.3-166.9-177.6-161.6168.33.2110.6
38E43.4Very low47.7Very low157 Ų157168.2 Ų168.273%0.73479%0.794SS**  trans-153.9127.2167.5-120.7178.6-162.600109.9S36S36-E38 VanDerWaalsContact C-N 3.28Å; S36-E38 PolarHBondContact O-N 2.95Å
39R48.1Very low47.8Very low219 Ų219166.9 Ų166.983%0.82679%0.789SS**  trans94.960.4172.1-51.3176.2-167.8-122.30.4116.9
40E44.7Very low48.1Very low192 Ų192163.2 Ų163.290%0.89778%0.782SS**  trans-95.238.1164.8-159.7-178.4-173.600112.2
41R49.2Very low48.5Very low233 Ų233157.3 Ų157.388%0.87977%0.768SS**  trans-139.530.4-173.8-67.6-168-173.6-120.42.1116.8
42H49.7Very low48.5Very low155 Ų155157 Ų15772%0.71876%0.757SS**SBendtrans-120.1-4.3176-84-71.5000117.1
43D56.9Low48.9Very low127 Ų127156.1 Ų156.168%0.67975%0.748SS**THydrogen-bonded Turntrans-90.6-5.3-172.3-58-22.7000114.5
44A52.8Low49.6Very low94 Ų94160 Ų16078%0.77775%0.754SS**THydrogen-bonded Turntrans-78-19.6-17700000114.1
45D51.9Low50.3Low124 Ų124154.4 Ų154.466%0.66374%0.742SS**THydrogen-bonded Turntrans-96.8-8.9-175.1-123.37.6000113.7
46E52.7Low50.7Low135 Ų135149 Ų14963%0.63173%0.729SS**G310 helixtrans-76.5-32.3-178.9-156168.5-155.900111.8K48 R49E46-K48 PolarHBondContact O-N 3.12Å; E46-R49 PolarHBondContact O-N 3.05Å
47H52.7Low51.3Low152 Ų152153.2 Ų153.270%0.70473%0.734SS**G310 helixtrans-70.7-11.9-179.5-67.4-51.3000114.8
48K51.3Low52Low165 Ų165150.4 Ų150.472%0.71773%0.728SS**G310 helixtrans-83.7-9.8179.9-111.8174.7-177.8173.80114.6E46E46-K48 PolarHBondContact O-N 3.12Å
49R51.5Low52.6Low203 Ų203147.8 Ų147.877%0.76673%0.725SS**G310 helixtrans-85.2-5.5-178.8-64.9-172.5-175.3-126.72.5114.5E46E46-R49 PolarHBondContact O-N 3.05Å
50H51.9Low52.8Low158 Ų158142.5 Ų142.573%0.73171%0.713SS**G310 helixtrans-96.6-2.8-174-65.6-51.4000115.3
51S52Low53.4Low90 Ų90136.7 Ų136.763%0.62970%0.698SS**  trans-113.236.7-179.858.40000113.1P53S51-P53 WeakPolarHBondContact O-CD 2.89Å
52D51.8Low53.8Low103 Ų103133.7 Ų133.755%0.55169%0.692SS**  trans-68.8106163.6-102.9-33.1000108.7N54 I55D52-N54 PolarHBondContact O-N 3.05Å; D52-N54 VanDerWaalsContact O-N 3.11Å; D52-I55 HydrophobicContact CB-CD1 4.04Å; D52-I55 HydrophobicContact CB-CG1 4.11Å; D52-I55 PolarHBondContact O-N 2.78Å; D52-I55 VanDerWaalsContact O-N 3.07Å
53P57.1Low54.1Low108 Ų108132.1 Ų132.170%0.70169%0.688SS**THydrogen-bonded Turntrans-67.1-17.2-177.2-12.229.2000111.6S51 I55S51-P53 WeakPolarHBondContact O-CD 2.89Å; P53-I55 VanDerWaalsContact C-N 3.28Å; P53-I55 PolarHBondContact O-N 3.43Å
54N56.8Low54Low145 Ų145133.4 Ų133.478%0.77569%0.688SS**THydrogen-bonded Turntrans-79-5.2177.2-74.3-22.2000113.7D52 S56D52-N54 PolarHBondContact O-N 3.05Å; D52-N54 VanDerWaalsContact O-N 3.11Å; N54-S56 PolarHBondContact O-N 2.87Å
55I53.2Low54Low133 Ų133138.8 Ų138.868%0.68269%0.688SS**SBendtrans-78.250.7159.8-56.5171.3000107.8D52 P53 K57D52-I55 HydrophobicContact CB-CD1 4.04Å; D52-I55 HydrophobicContact CB-CG1 4.11Å; D52-I55 PolarHBondContact O-N 2.78Å; D52-I55 VanDerWaalsContact O-N 3.07Å; P53-I55 VanDerWaalsContact C-N 3.28Å; P53-I55 PolarHBondContact O-N 3.43Å; I55-K57 PolarHBondContact O-N 2.87Å
56S53.1Low54.1Low81 Ų81142 Ų14257%0.56670%0.696SS**  trans-79.3117175.872.20000108.2N54N54-S56 PolarHBondContact O-N 2.87Å
57K55.4Low54.1Low190 Ų190138 Ų13883%0.82669%0.692SS**  trans59.582.4150.4-53.8176.9-1751770115I55I55-K57 PolarHBondContact O-N 2.87Å
58K56.9Low54Low194 Ų194137.9 Ų137.984%0.84370%0.696SS**  trans-48.1125.7154.3-70.4-179.7-179.9175.90108.1N60K58-N60 PolarHBondContact O-N 3.05Å; K58-N60 VanDerWaalsContact O-N 3.11Å
59P54.7Low53.9Low102 Ų102135.1 Ų135.166%0.66269%0.693SS**  trans-60.3121.5178.723.1-31.5000108.3A61P59-A61 PolarHBondContact O-N 3.22Å
60N53.1Low54.1Low108 Ų108134.5 Ų134.558%0.57870%0.696SS**  trans-54.6115.8176.9-172.9-14000108.1K58 K62 N63K58-N60 PolarHBondContact O-N 3.05Å; K58-N60 VanDerWaalsContact O-N 3.11Å; N60-K62 PolarHBondContact O-N 2.88Å; N60-K62 PolarHBondContact OD1-N 3.21Å; N60-N63 PolarHBondContact O-N 3.21Å
61A56.7Low54Low71 Ų71137.5 Ų137.559%0.58770%0.701SS**G310 helixtrans-56.3-18.8-174.500000112.9P59 N63P59-A61 PolarHBondContact O-N 3.22Å; A61-N63 VanDerWaalsContact C-N 3.27Å; A61-N63 PolarHBondContact O-N 3.03Å
62K57Low53.8Low170 Ų170137.6 Ų137.674%0.73971%0.707SS**G310 helixtrans-65.5-23.2174.9-66.6-174.1176.6-177.30114.1N60N60-K62 PolarHBondContact O-N 2.88Å; N60-K62 PolarHBondContact OD1-N 3.21Å
63N56.7Low53.8Low121 Ų121137.6 Ų137.665%0.64772%0.715SS**G310 helixtrans-91-8.5-178.1-8914.5000115.1N60 A61 W65 K66N60-N63 PolarHBondContact O-N 3.21Å; A61-N63 VanDerWaalsContact C-N 3.27Å; A61-N63 PolarHBondContact O-N 3.03Å; N63-W65 PolarHBondContact O-N 2.79Å; N63-W65 VanDerWaalsContact O-N 3.12Å; N63-K66 PolarHBondContact O-N 3.14Å
64K55.9Low53.6Low155 Ų155140.1 Ų140.167%0.67472%0.718SS**THydrogen-bonded Turntrans-67.5-13.2-177.6-68.9-160.7178.3-173.20114.3
65W52.4Low53.3Low206 Ų206138 Ų13878%0.7871%0.706SS**THydrogen-bonded Turntrans-102.5-9.1-176.2-59.699.9000114.5N63 G67N63-W65 PolarHBondContact O-N 2.79Å; N63-W65 VanDerWaalsContact O-N 3.12Å; W65-G67 VanDerWaalsContact C-N 3.29Å; W65-G67 PolarHBondContact O-N 2.92Å; W65-G67 VanDerWaalsContact O-N 3.1Å
66K53.3Low53.2Low191 Ų191137.6 Ų137.683%0.8370%0.703SS**THydrogen-bonded Turntrans-87.668.7174.8-66.3-145.9-179.1-170.70110.2N63N63-K66 PolarHBondContact O-N 3.14Å
67G53Low53.2Low53 Ų53144.7 Ų144.755%0.54672%0.717SS.*THydrogen-bonded Turntrans-173.7-14.7-177.300000116.3W65 T69W65-G67 VanDerWaalsContact C-N 3.29Å; W65-G67 PolarHBondContact O-N 2.92Å; W65-G67 VanDerWaalsContact O-N 3.1Å; G67-T69 PolarHBondContact O-N 2.78Å
68L50.7Low53Low148 Ų148142.3 Ų142.378%0.77571%0.709SS**  trans-71.873.3165-9779.4000108.8
69T49.4Very low52.8Low108 Ų108139.1 Ų139.166%0.66370%0.701SS**  trans-61.2144.9163.752.90000108.1G67 R71G67-T69 PolarHBondContact O-N 2.78Å; T69-R71 PolarHBondContact O-N 2.98Å
70K54.2Low52.5Low190 Ų190142.3 Ų142.383%0.82670%0.704SS**G310 helixtrans-59.711.4-173.7-64.4179178.4-177.90115.5S73K70-S73 PolarHBondContact O-OG 2.81Å
71R50.9Low52.2Low220 Ų220141.3 Ų141.383%0.8371%0.706SS**G310 helixtrans-80.3-23.7-176.5-126.4177.7-168.91682.7113.6T69 S73T69-R71 PolarHBondContact O-N 2.98Å; R71-S73 PolarHBondContact O-N 3.02Å
72A48.3Very low51.8Low93 Ų93143.4 Ų143.477%0.76972%0.716SS**G310 helixtrans-71.7-15.8178.600000113.6
73S50.6Low51.1Low102 Ų102142 Ų14271%0.71372%0.722SS**G310 helixtrans-89.41.2-175.846.60000115.1K70 R71K70-S73 PolarHBondContact O-OG 2.81Å; R71-S73 PolarHBondContact O-N 3.02Å
74Q52.5Low50.3Low162 Ų162139.3 Ų139.376%0.75772%0.723SS**SBendtrans-101.2-5.2-167.8-142169.20.100116.2
75N52.1Low49.7Very low99 Ų99139.9 Ų139.953%0.52973%0.728SS.*SBendtrans-128.827.8-171-138.4-0.1000117.4
76M51Low49.4Very low126 Ų126140 Ų14062%0.62173%0.734SS**SBendtrans-93.5-14.5169-63.8-57.6-66.800113.2L79M76-L79 HydrophobicContact CE-CD1 4.12Å; M76-L79 HydrophobicContact SD-CD1 3.98Å
77R52.3Low49.3Very low229 Ų229137.8 Ų137.886%0.86473%0.726SS**SBendtrans-79.3-27.6179.4-165.1174175.4-168.5-2.4112.6
78E50.7Low49Very low141 Ų141142.8 Ų142.866%0.65974%0.741SS**G310 helixtrans-80.6-23.9179.8-68.8-167.7175.800113.8F80 S81E78-F80 PolarHBondContact O-N 2.8Å; E78-S81 WeakPolarHBondContact O-CB 3.37Å; E78-S81 PolarHBondContact O-N 3.03Å; E78-S81 PolarHBondContact O-OG 3.19Å
79L54.5Low48.7Very low127 Ų127141.2 Ų141.267%0.66574%0.739SS**G310 helixtrans-64.8-13.6177.3-69.4173.8000113.7M76M76-L79 HydrophobicContact CE-CD1 4.12Å; M76-L79 HydrophobicContact SD-CD1 3.98Å
80F48.4Very low48.3Very low168 Ų168139.1 Ų139.174%0.73774%0.739SS**G310 helixtrans-106.512.4174.6-61.8-73.5000113.6E78 S82E78-F80 PolarHBondContact O-N 2.8Å; F80-S82 PolarHBondContact O-N 3.45Å
81S46.4Very low48Very low88 Ų88135.9 Ų135.962%0.61574%0.735SS**  trans-78.368.9167.1-56.20000108.5E78 T83E78-S81 WeakPolarHBondContact O-CB 3.37Å; E78-S81 PolarHBondContact O-N 3.03Å; E78-S81 PolarHBondContact O-OG 3.19Å; S81-T83 PolarHBondContact O-N 2.98Å
82S47.5Very low48Very low115 Ų115131 Ų13180%0.80473%0.729SS**  trans-57113174.353.60000109F80F80-S82 PolarHBondContact O-N 3.45Å
83T41.8Very low48.2Very low139 Ų139135 Ų13585%0.85373%0.729SS**  trans-77.6120.5164.731.30000107.2S81S81-T83 PolarHBondContact O-N 2.98Å
84G41.6Very low48.1Very low65 Ų65136.8 Ų136.867%0.6773%0.731SS**  trans67.998.6152.800000117.1
85H41.5Very low47.7Very low168 Ų168134.2 Ų134.278%0.77874%0.737SS**  -149.6111.4119.7-115.6-82.1000108.8E87H85-E87 PolarHBondContact O-N 3.06Å; H85-E87 VanDerWaalsContact O-N 3.09Å
86K47.2Very low47.1Very low207 Ų207132.5 Ų132.590%0.974%0.743SS**  trans-74.483.9164.9-69.7177.7176.8-179.30106.4
87E49.8Very low46.9Very low145 Ų145134.6 Ų134.668%0.67875%0.749SS**  trans-98.5114.6158.7-69.6-174.1178.800105.2H85 P89H85-E87 PolarHBondContact O-N 3.06Å; H85-E87 VanDerWaalsContact O-N 3.09Å; E87-P89 VanDerWaalsContact C-N 3.35Å; E87-P89 WeakPolarHBondContact O-CD 3.21Å; E87-P89 WeakPolarHBondContact O-CG 3.48Å
88D46.7Very low46.6Very low159 Ų159132.7 Ų132.785%0.8575%0.75SS**  trans-58.898.5168.1-69.5-42.5000106.4G90D88-G90 PolarHBondContact O-N 3.35Å
89P44.9Very low46.5Very low115 Ų115135.5 Ų135.575%0.74776%0.756SS**  trans-72.6107.8-179.4-0.920.7000103.4E87 V91E87-P89 VanDerWaalsContact C-N 3.35Å; E87-P89 WeakPolarHBondContact O-CD 3.21Å; E87-P89 WeakPolarHBondContact O-CG 3.48Å; P89-V91 PolarHBondContact O-N 3.13Å
90G41Very low46.1Very low63 Ų63137 Ų13765%0.64976%0.764SS**  trans-37.7118.3177.300000108.8D88 V92D88-G90 PolarHBondContact O-N 3.35Å; G90-V92 VanDerWaalsContact C-N 3.31Å; G90-V92 WeakPolarHBondContact O-CG2 3.47Å; G90-V92 PolarHBondContact O-N 3.49Å
91V48.6Very low46.3Very low122 Ų122135.1 Ų135.174%0.73977%0.766SS**  trans-43.795.4-177.6-179.20000108.9P89 K93P89-V91 PolarHBondContact O-N 3.13Å; V91-K93 HydrophobicContact CG1-CG 3.72Å; V91-K93 PolarHBondContact O-N 3.34Å
92V51.5Low46.2Very low118 Ų118137.9 Ų137.972%0.71577%0.772SS**  trans-7694.3167.6-178.40000104.2G90 N94G90-V92 VanDerWaalsContact C-N 3.31Å; G90-V92 WeakPolarHBondContact O-CG2 3.47Å; G90-V92 PolarHBondContact O-N 3.49Å; V92-N94 PolarHBondContact O-N 3.05Å
93K50.9Low46.2Very low178 Ų178140.8 Ų140.877%0.77477%0.773SS**  trans-64.969.6173.1-62.9-179.6-178.6178.10109.5V91 A95V91-K93 HydrophobicContact CG1-CG 3.72Å; V91-K93 PolarHBondContact O-N 3.34Å; K93-A95 VanDerWaalsContact C-N 3.28Å; K93-A95 PolarHBondContact O-N 2.91Å
94N48.5Very low46.5Very low139 Ų139142.3 Ų142.374%0.74377%0.77SS**  trans-95.575.2158.4-74-15.8000106.8V92 G96V92-N94 PolarHBondContact O-N 3.05Å; N94-G96 PolarHBondContact O-N 2.91Å
95A44Very low46.5Very low108 Ų108143.5 Ų143.589%0.89377%0.773SS**  trans-61.698.716400000107.5K93K93-A95 VanDerWaalsContact C-N 3.28Å; K93-A95 PolarHBondContact O-N 2.91Å
96G40.8Very low46.5Very low63 Ų63138.5 Ų138.565%0.64977%0.767SS**  trans-166.667-16800000113.5N94N94-G96 PolarHBondContact O-N 2.91Å
97K46.6Very low46.5Very low170 Ų170138.1 Ų138.174%0.73977%0.765SS**  trans71.894.4158.5-56-175.8-178.8-177.30115.6Y99K97-Y99 HydrophobicContact CB-CE2 4.4Å; K97-Y99 WeakPolarHBondContact O-CD2 3.45Å; K97-Y99 PolarHBondContact O-N 2.95Å; K97-Y99 VanDerWaalsContact O-N 3.14Å
98E46.9Very low46.2Very low189 Ų189137.8 Ų137.888%0.88377%0.773SS**  trans-52112150.1-66.1169.2-176.300107.6
99Y46.5Very low46.3Very low200 Ų200138.7 Ų138.778%0.78477%0.77SS**  trans-82.2111.2160.9-71.6-90.2000105.4K97 T101K97-Y99 HydrophobicContact CB-CE2 4.4Å; K97-Y99 WeakPolarHBondContact O-CD2 3.45Å; K97-Y99 PolarHBondContact O-N 2.95Å; K97-Y99 VanDerWaalsContact O-N 3.14Å; Y99-T101 PolarHBondContact O-N 3Å
100D46.8Very low46.2Very low157 Ų157140.4 Ų140.484%0.8477%0.768SS**  trans-52.2106.7166-89.3-29.9000107.6M102D100-M102 PolarHBondContact O-N 2.76Å
101T53.1Low46.3Very low129 Ų129147.3 Ų147.379%0.79178%0.78SS**  trans-68.791.6168.249.90000106.3Y99 E103Y99-T101 PolarHBondContact O-N 3Å; T101-E103 PolarHBondContact O-N 3.05Å
102M45Very low46Very low147 Ų147149.7 Ų149.772%0.72478%0.781SS**  trans-56.6105.7170.5-172174.1-69.200107.3D100 H104D100-M102 PolarHBondContact O-N 2.76Å; M102-H104 PolarHBondContact O-N 2.95Å
103E46.5Very low45.3Very low176 Ų176149.1 Ų149.182%0.82279%0.789SS**  trans-56.2101.7171.3-73.6-172.8155.700107.8T101 A105T101-E103 PolarHBondContact O-N 3.05Å; E103-A105 PolarHBondContact O-N 3.4Å
104H47.7Very low44.3Very low171 Ų171144.5 Ų144.579%0.79279%0.791SS**  trans-74.376167.7-70.4-49.6000108.4M102 G106M102-H104 PolarHBondContact O-N 2.95Å; H104-G106 PolarHBondContact O-N 2.96Å
105A41.9Very low43.4Very low89 Ų89141.2 Ų141.274%0.73679%0.79SS**  trans-57.1116.8165.400000109.3E103E103-A105 PolarHBondContact O-N 3.4Å
106G40.8Very low43.1Very low64 Ų64145.8 Ų145.866%0.6679%0.793SS**  trans54.486.4144.500000117.5H104H104-G106 PolarHBondContact O-N 2.96Å
107K47.8Very low43.2Very low198 Ų198148.1 Ų148.186%0.86180%0.8SS**  trans-132.977.8146.4-68-173.5-175.81740109.8K109K107-K109 VanDerWaalsContact C-N 3.35Å; K107-K109 PolarHBondContact O-N 3.26Å
108T43Very low42.9Very low138 Ų138144.8 Ų144.885%0.84780%0.804SS**  trans-63.297.8162.6-31.70000107Q110T108-Q110 PolarHBondContact O-N 2.84Å
109K49.1Very low42.8Very low179 Ų179146.2 Ų146.278%0.77881%0.807SS**  trans-63.3107.8177.5-80-179176.1176.50108.9K107 F111K107-K109 VanDerWaalsContact C-N 3.35Å; K107-K109 PolarHBondContact O-N 3.26Å; K109-F111 PolarHBondContact O-N 3.19Å
110Q44.5Very low42.6Very low151 Ų151144.9 Ų144.971%0.70681%0.808SS**  trans-61.3116.5162.5-75.3-178-25.500107.8T108 F112T108-Q110 PolarHBondContact O-N 2.84Å; Q110-F112 VanDerWaalsContact C-N 3.33Å; Q110-F112 HydrophobicContact CB-CD2 4.14Å; Q110-F112 HydrophobicContact CB-CE2 3.76Å; Q110-F112 HydrophobicContact CB-CZ 4.4Å; Q110-F112 PolarHBondContact O-N 3.08Å
111F41.9Very low42.5Very low207 Ų207145.1 Ų145.191%0.90881%0.809SS**  trans-71.991171-71.2-93.2000107.9K109 A113K109-F111 PolarHBondContact O-N 3.19Å; F111-A113 PolarHBondContact O-N 2.85Å
112F43.3Very low42Very low172 Ų172143.8 Ų143.875%0.75481%0.812SS**  trans-72.3117.4165.5-74.1-80.6000108.5Q110Q110-F112 VanDerWaalsContact C-N 3.33Å; Q110-F112 HydrophobicContact CB-CD2 4.14Å; Q110-F112 HydrophobicContact CB-CE2 3.76Å; Q110-F112 HydrophobicContact CB-CZ 4.4Å; Q110-F112 PolarHBondContact O-N 3.08Å
113A36.8Very low41.8Very low106 Ų106148.1 Ų148.188%0.87682%0.82SS**  trans-67.4123.7167.700000109.2F111F111-A113 PolarHBondContact O-N 2.85Å
114G28.2Very low41.8Very low81 Ų81146.9 Ų146.984%0.83581%0.814SS**  trans118.4112.516700000113.9
115G29.6Very low41.7Very low70 Ų70147.7 Ų147.772%0.72281%0.812SS**  trans145.685.9167.300000112.9S117G115-S117 VanDerWaalsContact C-N 3.26Å; G115-S117 PolarHBondContact O-N 2.91Å
116E39Very low42.1Very low204 Ų204151.6 Ų151.695%0.95382%0.819SS**  trans-66.975.3171.1-63.6179.8145.800111.1
117S42.3Very low42.2Very low113 Ų113156.1 Ų156.179%0.7982%0.822SS**  trans-170.261.5169.346.10000113.6G115G115-S117 VanDerWaalsContact C-N 3.26Å; G115-S117 PolarHBondContact O-N 2.91Å
118A40.3Very low42Very low100 Ų100149.3 Ų149.383%0.82681%0.809SS**  trans-15156.5168.400000112.4
119K44.4Very low42Very low218 Ų218152.8 Ų152.895%0.94881%0.808SS**  trans-91.77.1175.1-87-172.8178.8175.80115
120Q43.4Very low42Very low172 Ų172150.6 Ų150.680%0.80481%0.809SS**SBendtrans-111.6-12-169.1-77.7-167-21.100119.1
121N43.7Very low41.9Very low162 Ų162150.8 Ų150.887%0.86681%0.812SS**  trans-120.736.6-171.3-66.3-14.5000115.6
122A42.4Very low42Very low102 Ų102146.2 Ų146.284%0.84380%0.803SS**  trans-10328.3173.200000113.2
123R41.4Very low42.3Very low238 Ų238141.2 Ų141.290%0.89880%0.8SS**  trans-97.768.5170-72.1-173177.9-177.40.1109.6
124E46.6Very low42.8Very low149 Ų149143.4 Ų143.470%0.69680%0.797SS**  trans-158130.2169.4-120.6171.6-14900110.2
125Y44.9Very low43.6Very low188 Ų188149.5 Ų149.574%0.73780%0.8SS**  trans73.773.7172.1-47.3-79.2000117.9
126I50.9Low44.1Very low172 Ų172148.8 Ų148.888%0.88279%0.793SS**  trans-100.187.8139.4-57.5176.7000105.5G128I126-G128 PolarHBondContact O-N 3.17Å; I126-G128 VanDerWaalsContact O-N 3.08Å
127E44Very low44.4Very low158 Ų158148.4 Ų148.474%0.73879%0.788SS**  trans-63105.9172-164.1169.4-158.100107.5Y129E127-Y129 PolarHBondContact O-N 3.08Å; E127-Y129 VanDerWaalsContact O-N 3.17Å
128G41.8Very low44.5Very low56 Ų56149.9 Ų149.958%0.57779%0.787SS**  trans-69.9108.7-174.700000110.6I126 V130I126-G128 PolarHBondContact O-N 3.17Å; I126-G128 VanDerWaalsContact O-N 3.08Å; G128-V130 PolarHBondContact O-N 2.91Å
129Y44Very low44.9Very low211 Ų211151.1 Ų151.183%0.82779%0.788SS**  trans-67.987.3153.8-68.5-88.7000107.4E127 M131E127-Y129 PolarHBondContact O-N 3.08Å; E127-Y129 VanDerWaalsContact O-N 3.17Å; Y129-M131 VanDerWaalsContact C-N 3.28Å; Y129-M131 PolarHBondContact O-N 2.96Å
130V47.9Very low44.7Very low132 Ų132149.3 Ų149.380%0.878%0.781SS**  trans-70.491.4170.4179.10000106.7G128 P132G128-V130 PolarHBondContact O-N 2.91Å; V130-P132 WeakPolarHBondContact O-CD 3.39Å
131M42.4Very low44.6Very low155 Ų155145.6 Ų145.676%0.76478%0.78SS**  trans-60126.5168.4-67.7-62.9-61.100107.8Y129 G133Y129-M131 VanDerWaalsContact C-N 3.28Å; Y129-M131 PolarHBondContact O-N 2.96Å; M131-G133 VanDerWaalsContact C-N 3.26Å; M131-G133 PolarHBondContact O-N 3.24Å
132P45.8Very low44.7Very low111 Ų111143 Ų14372%0.72177%0.77SS**  trans-61.994.7168.3-18.831.7000107.8V130 D134V130-P132 WeakPolarHBondContact O-CD 3.39Å; P132-D134 VanDerWaalsContact C-N 3.25Å; P132-D134 PolarHBondContact O-N 2.82Å
133G48.8Very low44.8Very low67 Ų67147.4 Ų147.469%0.69177%0.773SS**  trans-67.194.416700000106.6M131 K135M131-G133 VanDerWaalsContact C-N 3.26Å; M131-G133 PolarHBondContact O-N 3.24Å; G133-K135 PolarHBondContact O-N 3.34Å
134D46.9Very low45.1Very low152 Ų152141.6 Ų141.681%0.81376%0.764SS**  trans-44.4127.4164.1-79.2-33.9000107.3P132 G136P132-D134 VanDerWaalsContact C-N 3.25Å; P132-D134 PolarHBondContact O-N 2.82Å; D134-G136 PolarHBondContact O-N 2.93Å
135K44.3Very low44.9Very low210 Ų210143.9 Ų143.991%0.91378%0.775SS**  trans-63.269.4173.5-71.5173.9177174.30108.9G133 K137G133-K135 PolarHBondContact O-N 3.34Å; K135-K137 PolarHBondContact O-N 3.15Å
136G42.1Very low44.9Very low55 Ų55138.1 Ų138.157%0.56777%0.773SS**  trans-70.8111169.700000106.7D134 N138D134-G136 PolarHBondContact O-N 2.93Å; G136-N138 PolarHBondContact O-N 3.08Å
137K44.5Very low44.5Very low196 Ų196138.4 Ų138.485%0.85277%0.77SS**  trans-51.3109.7169.1-65.6175.6179.3179.70107.5K135 C139K135-K137 PolarHBondContact O-N 3.15Å; K137-C139 PolarHBondContact O-N 2.87Å; K137-C139 VanDerWaalsContact O-N 3.12Å
138N43.7Very low44.5Very low144 Ų144140.1 Ų140.177%0.7778%0.778SS**  trans-57.9121.1172.4-72.5-23.7000107.6G136 F140G136-N138 PolarHBondContact O-N 3.08Å; N138-F140 PolarHBondContact O-N 3.25Å
139C48.7Very low44.8Very low125 Ų125143.7 Ų143.785%0.84579%0.788SS**SBendtrans-67.6-4.1-175.5-44.60000113.5K137K137-C139 PolarHBondContact O-N 2.87Å; K137-C139 VanDerWaalsContact O-N 3.12Å
140F41.2Very low44.5Very low180 Ų180136.2 Ų136.279%0.78978%0.776SS**  trans-102.580.5178.4-61.9-79.8000107.9N138 T142N138-F140 PolarHBondContact O-N 3.25Å; F140-T142 PolarHBondContact O-N 2.75Å
141A41Very low43.8Very low95 Ų95136.9 Ų136.979%0.78578%0.781SS**  trans-7376.716200000107.6E143A141-E143 PolarHBondContact O-N 2.79Å
142T46.5Very low43.9Very low107 Ų107139 Ų13966%0.65679%0.785SS**  trans-83.3101.6157.6450000105.8F140 T144F140-T142 PolarHBondContact O-N 2.75Å; T142-T144 PolarHBondContact O-N 3.33Å; T142-T144 PolarHBondContact O-OG1 2.96Å
143E43.9Very low43.5Very low194 Ų194144.6 Ų144.691%0.90780%0.798SS**  trans-52.695.9164.4-65.3175.8-179.500106.8A141A141-E143 PolarHBondContact O-N 2.79Å
144T46.7Very low43.1Very low117 Ų117144.3 Ų144.372%0.71880%0.795SS**  trans-107.8112.7169.4-4.30000103.2T142 G146T142-T144 PolarHBondContact O-N 3.33Å; T142-T144 PolarHBondContact O-OG1 2.96Å; T144-G146 PolarHBondContact O-N 3.15Å
145E44Very low43.1Very low197 Ų197145.6 Ų145.692%0.92180%0.796SS**  trans-57.493.4170.9-63.9-178.7172.100106.8E147E145-E147 PolarHBondContact O-N 2.73Å
146G43.3Very low43.2Very low67 Ų67142.7 Ų142.769%0.69179%0.791SS**  trans-7199.9176.200000107.3T144 E148T144-G146 PolarHBondContact O-N 3.15Å; G146-E148 PolarHBondContact O-N 2.89Å
147E43.8Very low43.3Very low177 Ų177144 Ų14483%0.82780%0.804SS**  trans-48.4121.1166.2-168.9-178.417700108.4E145 V149E145-E147 PolarHBondContact O-N 2.73Å; E147-V149 PolarHBondContact O-N 2.87Å
148E43.1Very low43.5Very low194 Ų194139.2 Ų139.291%0.90780%0.801SS**  trans-66.678.4-175.5-67.3-174.4160.800110.7G146 G150G146-E148 PolarHBondContact O-N 2.89Å; E148-G150 VanDerWaalsContact C-N 3.29Å; E148-G150 PolarHBondContact O-N 3.2Å
149V47.7Very low44Very low131 Ų131139.5 Ų139.579%0.79480%0.802SS**  trans-78.788.8170.4-168.40000108.2E147E147-V149 PolarHBondContact O-N 2.87Å
150G37.3Very low44.4Very low55 Ų55137.4 Ų137.457%0.56779%0.787SS**  trans41.899.7141.200000116.6E148 K152E148-G150 VanDerWaalsContact C-N 3.29Å; E148-G150 PolarHBondContact O-N 3.2Å; G150-K152 PolarHBondContact O-N 3.02Å
151T34.1Very low45.2Very low146 Ų146135 Ų13590%0.89678%0.783SS**  trans-22.2101.4154.7490000115.2
152K44Very low45.8Very low199 Ų199139.9 Ų139.987%0.86578%0.782SS**  trans-132.395.9148.4-71.9-169.7-178.6173.20109.7G150 G154G150-K152 PolarHBondContact O-N 3.02Å; K152-G154 PolarHBondContact O-N 3.5Å
153K37.5Very low45.9Very low228 Ų228137 Ų13799%0.99177%0.774SS**  trans-40.2102.3158.1-115.9172.9174.5176.70108.8
154G41.3Very low46.4Very low61 Ų61133.7 Ų133.763%0.62977%0.767SS**  trans-169.568.1-172.700000112.3K152K152-G154 PolarHBondContact O-N 3.5Å
155Q47.4Very low46.7Very low179 Ų179134 Ų13484%0.83677%0.772SS**  trans56.1111.5141.6-60.4-179.5-16.400118.3
156N45.4Very low46.9Very low149 Ų149127.5 Ų127.580%0.79776%0.759SS**SBendtrans68.183.7147.1-54-24.6000116.8A158N156-A158 VanDerWaalsContact C-N 3.26Å; N156-A158 PolarHBondContact O-N 3.17Å
157G43.9Very low47.3Very low82 Ų82134.1 Ų134.185%0.84577%0.768SS**  trans42.245.8132.500000116.7L159G157-L159 PolarHBondContact O-N 2.82Å
158A49.6Very low48Very low96 Ų96132.9 Ų132.979%0.79377%0.766SS**  trans-58.3108.7170.100000106.8N156N156-A158 VanDerWaalsContact C-N 3.26Å; N156-A158 PolarHBondContact O-N 3.17Å
159L52.9Low48.7Very low150 Ų150132.1 Ų132.179%0.78576%0.76SS**  trans-47.7139.8161.5-85.8148.5000107G157 D161G157-L159 PolarHBondContact O-N 2.82Å; L159-D161 PolarHBondContact O-N 3.2Å
160P58.6Low49.1Very low82 Ų82134.8 Ų134.853%0.53276%0.763SS.*  trans-48.4118.6174.2-21.930000107.9Y162P160-Y162 HydrophobicContact CB-CE2 4.39Å; P160-Y162 WeakPolarHBondContact O-CD2 3.41Å; P160-Y162 PolarHBondContact O-N 3.26Å
161D56.9Low50Low129 Ų129140.7 Ų140.769%0.6977%0.774SS**  trans-64.295.8170.9-177.716000105.4L159 G163 T164L159-D161 PolarHBondContact O-N 3.2Å; D161-G163 PolarHBondContact O-N 3.49Å; D161-G163 VanDerWaalsContact OD1-CA 3.29Å; D161-G163 WeakPolarHBondContact OD1-CA 3.44Å; D161-G163 PolarHBondContact OD1-N 3.13Å; D161-T164 PolarHBondContact OD1-N 2.87Å
162Y53.8Low50.7Low198 Ų198137.4 Ų137.478%0.77676%0.761SS**  trans-68.576163.4-63.8-76000105.1P160 T164P160-Y162 HydrophobicContact CB-CE2 4.39Å; P160-Y162 WeakPolarHBondContact O-CD2 3.41Å; P160-Y162 PolarHBondContact O-N 3.26Å; Y162-T164 PolarHBondContact O-N 2.74Å; Y162-T164 VanDerWaalsContact O-N 3.13Å
163G49.8Very low50.9Low47 Ų47138.2 Ų138.249%0.48576%0.761SS.*  trans-21.4109.4-161.500000111.3D161 C165D161-G163 PolarHBondContact O-N 3.49Å; D161-G163 VanDerWaalsContact OD1-CA 3.29Å; D161-G163 WeakPolarHBondContact OD1-CA 3.44Å; D161-G163 PolarHBondContact OD1-N 3.13Å; G163-C165 WeakPolarHBondContact O-CA 3.23Å; G163-C165 PolarHBondContact O-N 2.87Å
164T53.1Low51.4Low123 Ų123133.5 Ų133.576%0.75575%0.746SS**  trans-29.5109.9174.5-570000107.7D161 Y162 G166D161-T164 PolarHBondContact OD1-N 2.87Å; Y162-T164 PolarHBondContact O-N 2.74Å; Y162-T164 VanDerWaalsContact O-N 3.13Å; T164-G166 VanDerWaalsContact C-N 3.26Å; T164-G166 WeakPolarHBondContact O-CA 3.04Å; T164-G166 PolarHBondContact O-N 3.35Å
165C52.9Low51.5Low123 Ų123136.8 Ų136.883%0.83175%0.749SS**  trans-49.998.4-165-52.60000107.6G163 K167G163-C165 WeakPolarHBondContact O-CA 3.23Å; G163-C165 PolarHBondContact O-N 2.87Å; C165-K167 PolarHBondContact O-N 3.1Å
166G48.3Very low51.5Low62 Ų62135.5 Ų135.564%0.63974%0.743SS**  trans-54.3136.5-173.600000105.4T164 I168T164-G166 VanDerWaalsContact C-N 3.26Å; T164-G166 WeakPolarHBondContact O-CA 3.04Å; T164-G166 PolarHBondContact O-N 3.35Å; G166-I168 PolarHBondContact O-N 2.98Å
167K52.5Low51.6Low205 Ų205135 Ų13589%0.89174%0.74SS**  trans-34.9120.7175.9-75.4-175.6177.9-178.50107.5C165 K169C165-K167 PolarHBondContact O-N 3.1Å; K167-K169 PolarHBondContact O-N 2.88Å
168I57.6Low51.8Low151 Ų151138.5 Ų138.577%0.77474%0.735SS**  trans-42.2116.2-177.8-57.2164.7000104.9G166 E170G166-I168 PolarHBondContact O-N 2.98Å; I168-E170 VanDerWaalsContact C-N 3.27Å; I168-E170 PolarHBondContact O-N 2.91Å
169K57.5Low51.6Low179 Ų179139.1 Ų139.178%0.77873%0.731SS**  trans-54.6108.2171.1-87.8-179.2176.1177.40103.6K167 F171K167-K169 PolarHBondContact O-N 2.88Å; K169-F171 WeakPolarHBondContact O-CD2 3.36Å; K169-F171 PolarHBondContact O-N 3.37Å
170E56.8Low51.3Low186 Ų186138.5 Ų138.587%0.86973%0.728SS**  trans-55.8104.5167.5-74.1-179.217600103.2I168 A172I168-E170 VanDerWaalsContact C-N 3.27Å; I168-E170 PolarHBondContact O-N 2.91Å; E170-A172 PolarHBondContact O-N 3.12Å
171F55.7Low51Low179 Ų179138.4 Ų138.479%0.78573%0.734SS**  trans-61.3101.1170.9-74.1-87000103.4K169 Y173K169-F171 WeakPolarHBondContact O-CD2 3.36Å; K169-F171 PolarHBondContact O-N 3.37Å; F171-Y173 VanDerWaalsContact C-N 3.35Å; F171-Y173 PolarHBondContact O-N 3.31Å
172A49.3Very low50.9Low77 Ų77136 Ų13664%0.63673%0.732SS**  trans-49.5113.816200000104.1E170 D174E170-A172 PolarHBondContact O-N 3.12Å; A172-D174 PolarHBondContact O-N 3.39Å
173Y48.8Very low50.6Low217 Ų217132 Ų13285%0.85172%0.724SS**  trans-72.370.9176.3-140.4-90.9000104.8F171 N175F171-Y173 VanDerWaalsContact C-N 3.35Å; F171-Y173 PolarHBondContact O-N 3.31Å; Y173-N175 PolarHBondContact O-N 2.97Å
174D46.7Very low50.5Low128 Ų128136 Ų13668%0.68473%0.73SS**  trans-60.5113.6170-86.4-22.5000104.5A172 Q176A172-D174 PolarHBondContact O-N 3.39Å; D174-Q176 HydrophobicContact CB-CG 4.5Å; D174-Q176 PolarHBondContact O-N 2.62Å
175N43.6Very low50.5Low131 Ų131137.6 Ų137.670%0.70173%0.729SS**  trans-69.865-170.5-153.34.5000107.9Y173 N177Y173-N175 PolarHBondContact O-N 2.97Å; N175-N177 PolarHBondContact O-N 3.11Å
176Q47.3Very low50.4Low152 Ų152140.6 Ų140.671%0.7173%0.727SS**  trans-7670.1175.7-69.7-90.7-44.300106.8D174 E178D174-Q176 HydrophobicContact CB-CG 4.5Å; D174-Q176 PolarHBondContact O-N 2.62Å; Q176-E178 PolarHBondContact O-N 3.25Å; Q176-E178 VanDerWaalsContact O-N 3.1Å
177N47.7Very low50.6Low137 Ų137147 Ų14773%0.73373%0.733SS**  trans-67.821.9158-93-28000111.6N175 P179N175-N177 PolarHBondContact O-N 3.11Å; N177-P179 VanDerWaalsContact O-CD 3.24Å; N177-P179 WeakPolarHBondContact O-CD 3.48Å
178E47.9Very low50.4Low157 Ų157145.2 Ų145.273%0.73473%0.725SS**  trans-94.4104.8166.1-70.6-147.5157.700108.6Q176 N180Q176-E178 PolarHBondContact O-N 3.25Å; Q176-E178 VanDerWaalsContact O-N 3.1Å; E178-N180 PolarHBondContact O-N 3.47Å
179P46.6Very low50.3Low109 Ų109142.4 Ų142.471%0.70872%0.718SS**  trans-65.4101.9177.727.3-32.2000108N177 A181N177-P179 VanDerWaalsContact O-CD 3.24Å; N177-P179 WeakPolarHBondContact O-CD 3.48Å; P179-A181 PolarHBondContact O-N 3.07Å
180N46.2Very low50.1Low137 Ų137141.6 Ų141.673%0.73372%0.722SS**  trans-65.4102.7173.4-140.4-13.6000107.6E178 A182 L183E178-N180 PolarHBondContact O-N 3.47Å; N180-A182 PolarHBondContact O-N 3.37Å; N180-L183 PolarHBondContact O-N 3.44Å
181A52.4Low50.1Low80 Ų80140.6 Ų140.666%0.66172%0.718SS**THydrogen-bonded Turntrans-56-21.4-169.600000113.9P179 L183 E184P179-A181 PolarHBondContact O-N 3.07Å; A181-L183 VanDerWaalsContact C-N 3.25Å; A181-L183 PolarHBondContact O-N 3.18Å; A181-E184 PolarHBondContact O-N 3.43Å
182A55.4Low50Low77 Ų77137 Ų13764%0.63671%0.713SS**Hα-helixtrans-66.2-21.8178.100000114.1N180N180-A182 PolarHBondContact O-N 3.37Å
183L47.2Very low50.6Low116 Ų116139.3 Ų139.361%0.60772%0.721SS**Hα-helixtrans-89.3-22.5179.7-134.2101.6000113.6N180 A181 E185N180-L183 PolarHBondContact O-N 3.44Å; A181-L183 VanDerWaalsContact C-N 3.25Å; A181-L183 PolarHBondContact O-N 3.18Å; L183-E185 VanDerWaalsContact C-N 3.35Å
184E46.8Very low50.9Low129 Ų129135.4 Ų135.460%0.60371%0.712SS**Hα-helixtrans-73.3-28.6177-75.4-145.6158.800112.6A181 K186 R187A181-E184 PolarHBondContact O-N 3.43Å; E184-K186 VanDerWaalsContact C-N 3.31Å; E184-K186 PolarHBondContact O-N 3.12Å; E184-R187 PolarHBondContact O-N 3.11Å; E184-R187 VanDerWaalsContact O-N 3.12Å
185E52.7Low51.5Low158 Ų158133.3 Ų133.374%0.73870%0.701SS**Hα-helixtrans-65.2-36.2179.5-164.6172.7-172.800111.8L183 R187 K188L183-E185 VanDerWaalsContact C-N 3.35Å; E185-R187 VanDerWaalsContact C-N 3.25Å; E185-R187 PolarHBondContact O-N 3.02Å; E185-K188 PolarHBondContact O-N 3.36Å
186K52.4Low52.1Low185 Ų185134 Ų13480%0.80470%0.704SS**THydrogen-bonded Turntrans-75-10.4176.2-69.3-137.6178.4-175.40114.5E184E184-K186 VanDerWaalsContact C-N 3.31Å; E184-K186 PolarHBondContact O-N 3.12Å
187R51.2Low52.6Low198 Ų198133.4 Ų133.475%0.74770%0.701SS**THydrogen-bonded Turntrans-93-1.2176.3-68.6-174177.1175.91.1113.2E184 E185E184-R187 PolarHBondContact O-N 3.11Å; E184-R187 VanDerWaalsContact O-N 3.12Å; E185-R187 VanDerWaalsContact C-N 3.25Å; E185-R187 PolarHBondContact O-N 3.02Å
188K48.5Very low53.1Low167 Ų167132.3 Ų132.373%0.72670%0.695SS**  trans-8911178.9-78.5-175.6-178.9176.10115.5E185 N190E185-K188 PolarHBondContact O-N 3.36Å; K188-N190 PolarHBondContact O-N 2.96Å
189S56.3Low53.3Low91 Ų91129.9 Ų129.964%0.63668%0.68SS**  trans-74.181.9156.3550000108.4E191S189-E191 PolarHBondContact O-N 3.36Å
190N53.3Low53.5Low162 Ų162133 Ų13387%0.86669%0.685SS**  trans-69.725.2169.7-126.1-1.4000111.5K188 P192K188-N190 PolarHBondContact O-N 2.96Å; N190-P192 WeakPolarHBondContact O-CD 3.33Å
191E56.3Low53.7Low166 Ų166132.1 Ų132.178%0.77669%0.685SS**PPolyproline II helixtrans-79119.9177.6-120.7174.9-176.600107.1S189S189-E191 PolarHBondContact O-N 3.36Å
192P53.9Low53.6Low104 Ų104132 Ų13268%0.67567%0.672SS**PPolyproline II helixtrans-55.5144.417523.5-31.4000108.8N190 M194N190-P192 WeakPolarHBondContact O-CD 3.33Å; P192-M194 PolarHBondContact O-N 2.92Å; P192-M194 VanDerWaalsContact O-N 3.17Å
193P61.8Low53.4Low125 Ų125136.4 Ų136.481%0.81268%0.677SS**PPolyproline II helixtrans-51.4129.317421.8-31.6000108.4N195P193-N195 PolarHBondContact O-N 2.93Å
194M55.3Low53.6Low134 Ų134141.4 Ų141.466%0.6669%0.694SS**  trans-41.3126.8178-100.4-174.9-70.600109.8P192 L196 Y199P192-M194 PolarHBondContact O-N 2.92Å; P192-M194 VanDerWaalsContact O-N 3.17Å; M194-L196 PolarHBondContact O-N 3.03Å; M194-Y199 HydrophobicContact CB-CE2 4.22Å; M194-Y199 HydrophobicContact CE-CE2 4.4Å; M194-Y199 WeakPolarHBondContact CE-OH 3.29Å; M194-Y199 HydrophobicContact SD-CE2 3.84Å; M194-Y199 PolarHBondContact SD-OH 3.06Å
195N59.1Low53.8Low85 Ų85138.8 Ų138.846%0.45570%0.702SS.*  trans-62.9125.7178.3-163.34.3000108P193 E197 D198P193-N195 PolarHBondContact O-N 2.93Å; N195-E197 PolarHBondContact ND2-OE2 2.78Å; N195-E197 VanDerWaalsContact ND2-OE2 3.15Å; N195-E197 PolarHBondContact O-N 3.26Å; N195-E197 VanDerWaalsContact O-N 3.15Å; N195-D198 WeakPolarHBondContact O-CB 3.31Å; N195-D198 PolarHBondContact O-N 2.8Å; N195-D198 VanDerWaalsContact O-N 3.08Å
196L54.9Low53.7Low145 Ų145137.7 Ų137.776%0.75970%0.696SS**G310 helixtrans-61-24.8-177.5-87150.5000111.9M194 D198 Y199M194-L196 PolarHBondContact O-N 3.03Å; L196-D198 PolarHBondContact O-N 3.03Å; L196-Y199 PolarHBondContact O-N 3.42Å
197E59.4Low53.8Low140 Ų140134.8 Ų134.865%0.65469%0.694SS**G310 helixtrans-63.8-27.3177-62.3174.9165.100112.6N195 Y199 E200N195-E197 PolarHBondContact ND2-OE2 2.78Å; N195-E197 VanDerWaalsContact ND2-OE2 3.15Å; N195-E197 PolarHBondContact O-N 3.26Å; N195-E197 VanDerWaalsContact O-N 3.15Å; E197-Y199 PolarHBondContact O-N 2.91Å; E197-E200 PolarHBondContact O-N 3.29Å
198D58.1Low53.9Low113 Ų113130.5 Ų130.560%0.60468%0.681SS**G310 helixtrans-69.9-17.5178.3-65.6-25.2000112.2N195 L196N195-D198 WeakPolarHBondContact O-CB 3.31Å; N195-D198 PolarHBondContact O-N 2.8Å; N195-D198 VanDerWaalsContact O-N 3.08Å; L196-D198 PolarHBondContact O-N 3.03Å
199Y51.2Low54.1Low107 Ų107130.8 Ų130.842%0.4269%0.685SS.*G310 helixtrans-84.3-14.4177.5-76-83.6000113.9M194 L196 E197 T201M194-Y199 HydrophobicContact CB-CE2 4.22Å; M194-Y199 HydrophobicContact CE-CE2 4.4Å; M194-Y199 WeakPolarHBondContact CE-OH 3.29Å; M194-Y199 HydrophobicContact SD-CE2 3.84Å; M194-Y199 PolarHBondContact SD-OH 3.06Å; L196-Y199 PolarHBondContact O-N 3.42Å; E197-Y199 PolarHBondContact O-N 2.91Å; Y199-T201 VanDerWaalsContact C-N 3.3Å; Y199-T201 PolarHBondContact O-N 2.94Å
200E51.9Low53.9Low174 Ų174133.3 Ų133.381%0.81369%0.685SS**THydrogen-bonded Turntrans-80.8-6-175.9-69.9-159.9154.300114.1E197 I202E197-E200 PolarHBondContact O-N 3.29Å; E200-I202 VanDerWaalsContact C-N 3.31Å; E200-I202 PolarHBondContact O-N 2.95Å
201T49.8Very low53.9Low118 Ų118135.2 Ų135.272%0.72469%0.686SS**THydrogen-bonded Turntrans-93.538.9173.3380000113.8Y199 K203Y199-T201 VanDerWaalsContact C-N 3.3Å; Y199-T201 PolarHBondContact O-N 2.94Å; T201-K203 VanDerWaalsContact C-N 3.32Å; T201-K203 PolarHBondContact O-N 2.9Å; T201-K203 VanDerWaalsContact O-N 3.13Å
202I50.4Low53.3Low79 Ų79131.3 Ų131.341%0.40568%0.682SS.*  trans-79.291.8155.2-55.3175.9000106.4E200 K204 Q206E200-I202 VanDerWaalsContact C-N 3.31Å; E200-I202 PolarHBondContact O-N 2.95Å; I202-K204 PolarHBondContact O-N 3.01Å; I202-Q206 HydrophobicContact CG2-CB 3.87Å; I202-Q206 WeakPolarHBondContact CG2-O 3.39Å
203K49.9Very low52.7Low168 Ų168129.3 Ų129.373%0.7368%0.68SS**  trans-45.5128.5169.6-73.5-179.3178.51780108.3T201 G205 Q206T201-K203 VanDerWaalsContact C-N 3.32Å; T201-K203 PolarHBondContact O-N 2.9Å; T201-K203 VanDerWaalsContact O-N 3.13Å; K203-G205 PolarHBondContact O-N 2.8Å; K203-Q206 PolarHBondContact O-N 3.07Å
204K52.8Low51.9Low222 Ų222131.3 Ų131.397%0.96568%0.684SS**THydrogen-bonded Turntrans-40.4108.2171-91-178.6174.6177.10108.7I202I202-K204 PolarHBondContact O-N 3.01Å
205G50.1Low51.4Low74 Ų74129.1 Ų129.176%0.76369%0.687SS**THydrogen-bonded Turntrans127.9-19.4-17900000115.7K203 T207K203-G205 PolarHBondContact O-N 2.8Å; G205-T207 PolarHBondContact O-N 2.92Å
206Q51.3Low50.8Low134 Ų134131 Ų13163%0.62670%0.704SS**  trans-87.284.6174.5-82-175.6-21.400111.4I202 K203 K208I202-Q206 HydrophobicContact CG2-CB 3.87Å; I202-Q206 WeakPolarHBondContact CG2-O 3.39Å; K203-Q206 PolarHBondContact O-N 3.07Å; Q206-K208 PolarHBondContact O-N 2.73Å
207T54.4Low50.3Low124 Ų124132.5 Ų132.576%0.76171%0.707SS**  trans-68.2111.4162.450.50000108.1G205 Q209G205-T207 PolarHBondContact O-N 2.92Å; T207-Q209 PolarHBondContact O-N 3.01Å
208K53.9Low49.6Very low108 Ų108134.2 Ų134.247%0.4771%0.712SS.*  trans-55115168.6-72.4-175.3177.7-178.20107.8Q206 F210Q206-K208 PolarHBondContact O-N 2.73Å; K208-F210 HydrophobicContact CB-CD2 3.49Å; K208-F210 VanDerWaalsContact CB-CD2 3.49Å; K208-F210 HydrophobicContact CB-CE2 3.21Å; K208-F210 HydrophobicContact CB-CG 4.44Å; K208-F210 HydrophobicContact CB-CZ 3.95Å; K208-F210 HydrophobicContact CD-CE2 3.44Å; K208-F210 VanDerWaalsContact CD-CE2 3.44Å; K208-F210 HydrophobicContact CD-CZ 3.43Å; K208-F210 VanDerWaalsContact CD-CZ 3.43Å; K208-F210 HydrophobicContact CG-CE2 3.92Å; K208-F210 HydrophobicContact CG-CZ 4.31Å; K208-F210 WeakPolarHBondContact O-CD2 3.49Å; K208-F210 PolarHBondContact O-N 2.89Å
209Q52.9Low49Very low173 Ų173135.6 Ų135.681%0.80873%0.725SS**  trans-68.972.6167.5-69.3-170-1900108.3T207T207-Q209 PolarHBondContact O-N 3.01Å
210F52Low48.3Very low144 Ų144139 Ų13963%0.63274%0.742SS**  trans-66.3137.6154.8-62.9-78.3000105.5K208K208-F210 HydrophobicContact CB-CD2 3.49Å; K208-F210 VanDerWaalsContact CB-CD2 3.49Å; K208-F210 HydrophobicContact CB-CE2 3.21Å; K208-F210 HydrophobicContact CB-CG 4.44Å; K208-F210 HydrophobicContact CB-CZ 3.95Å; K208-F210 HydrophobicContact CD-CE2 3.44Å; K208-F210 VanDerWaalsContact CD-CE2 3.44Å; K208-F210 HydrophobicContact CD-CZ 3.43Å; K208-F210 VanDerWaalsContact CD-CZ 3.43Å; K208-F210 HydrophobicContact CG-CE2 3.92Å; K208-F210 HydrophobicContact CG-CZ 4.31Å; K208-F210 WeakPolarHBondContact O-CD2 3.49Å; K208-F210 PolarHBondContact O-N 2.89Å
211F51.8Low47.6Very low203 Ų203140 Ų14089%0.8974%0.744SS**  trans8643.7-174.4-37.6-67.1000116.9G213F211-G213 VanDerWaalsContact C-N 3.26Å
212A45.2Very low47.2Very low83 Ų83140.6 Ų140.669%0.68675%0.747SS**  trans-96.331.9149.500000111.4N214A212-N214 PolarHBondContact O-N 3.45Å
213G40.2Very low46.8Very low62 Ų62147.3 Ų147.364%0.63977%0.774SS**SBendtrans-70.2121.4161.300000107.1F211 A215F211-G213 VanDerWaalsContact C-N 3.26Å; G213-A215 PolarHBondContact O-N 3.42Å
214N46.3Very low46.4Very low168 Ų168149.7 Ų149.790%0.89878%0.778SS**  trans-44.896.7175.9-72.7-23.6000110.2A212A212-N214 PolarHBondContact O-N 3.45Å
215A43.8Very low45.9Very low88 Ų88142.9 Ų142.973%0.72777%0.771SS**  trans-69.7129.9175.500000107.4G213G213-A215 PolarHBondContact O-N 3.42Å
216P45.9Very low45.6Very low125 Ų125145.7 Ų145.781%0.81277%0.773SS**  trans-58.1144-177.821.5-30.4000110.8K218P216-K218 PolarHBondContact O-N 3.18Å
217E45.9Very low45.2Very low175 Ų175143.7 Ų143.782%0.81877%0.774SS**SBendtrans-50.7107.6-173-150.7171.6-170.800112.3T219E217-T219 PolarHBondContact O-N 3.11Å
218K43.1Very low45.2Very low177 Ų177143.6 Ų143.677%0.7778%0.776SS**  trans4066.2147.6-58.2177.4-176.91680116.7P216 K220P216-K218 PolarHBondContact O-N 3.18Å; K218-K220 PolarHBondContact O-N 3.34Å
219T45.3Very low45Very low142 Ų142145 Ų14587%0.87179%0.793SS**  trans-83.692.8145.949.70000108.4E217E217-T219 PolarHBondContact O-N 3.11Å
220K37Very low45.1Very low179 Ų179147.3 Ų147.378%0.77879%0.794SS**  trans-52.9145.8165.9-70.6173.3178.1173.80108.8K218K218-K220 PolarHBondContact O-N 3.34Å
221K37.4Very low45.5Very low194 Ų194151.9 Ų151.984%0.84381%0.807SS**  trans99.985.3168.7-54174.7-175.1-177.60114.2
222T42.1Very low45.8Very low131 Ų131145.6 Ų145.680%0.80479%0.786SS**  -167.2107.1116.724.80000108.4R224T222-R224 PolarHBondContact O-N 2.87Å
223K41.1Very low46.4Very low220 Ų220148 Ų14896%0.95779%0.787SS**  trans-70.377.6162.8-68.9-179.9179179.20107.5
224R42.9Very low47.2Very low218 Ų218151.9 Ų151.982%0.82378%0.783SS**  trans-104.6104.2157.4-86.7-168.6173.1-140.6-0.1105.7T222 T226T222-R224 PolarHBondContact O-N 2.87Å; R224-T226 VanDerWaalsContact C-N 3.34Å; R224-T226 PolarHBondContact O-N 2.97Å; R224-T226 PolarHBondContact O-OG1 2.69Å
225G41.9Very low47.9Very low79 Ų79146 Ų14681%0.81476%0.758SS**  trans-58.1101.817100000108.2S227G225-S227 VanDerWaalsContact C-N 3.26Å; G225-S227 PolarHBondContact O-N 2.84Å
226T43.3Very low48.7Very low132 Ų132145.5 Ų145.581%0.8175%0.746SS**  trans-71.889.2172.1-38.90000106.1R224R224-T226 VanDerWaalsContact C-N 3.34Å; R224-T226 PolarHBondContact O-N 2.97Å; R224-T226 PolarHBondContact O-OG1 2.69Å
227S43.8Very low49.6Very low93 Ų93144.5 Ų144.565%0.6573%0.733SS**  trans-58.1130.2169.258.20000107.7G225 V229G225-S227 VanDerWaalsContact C-N 3.26Å; G225-S227 PolarHBondContact O-N 2.84Å; S227-V229 PolarHBondContact O-N 3.1Å; S227-V229 VanDerWaalsContact O-N 3.08Å
228P52.5Low50.9Low122 Ų122143.6 Ų143.679%0.79273%0.727SS**  trans-57.9120.4178.621.5-30.5000108.9R230P228-R230 PolarHBondContact O-N 2.92Å
229V50.3Low51.5Low137 Ų137142.6 Ų142.683%0.8372%0.724SS**  trans-59.6114.3173.9178.70000106.5S227 R231S227-V229 PolarHBondContact O-N 3.1Å; S227-V229 VanDerWaalsContact O-N 3.08Å; V229-R231 PolarHBondContact O-N 3.13Å
230R55.6Low53.1Low221 Ų221139 Ų13983%0.83472%0.716SS**  trans-54.5126.2175.2-74.2175.2120.3150.3-1.9107.4P228 T232P228-R230 PolarHBondContact O-N 2.92Å; R230-T232 VanDerWaalsContact C-N 3.31Å; R230-T232 PolarHBondContact O-N 3.14Å
231R60Low54.9Low241 Ų241138.9 Ų138.991%0.90972%0.724SS**  trans-61.498.8167-75.6-179.4169.9176-3.9106.6V229V229-R231 PolarHBondContact O-N 3.13Å
232T58.5Low55.9Low70 Ų70134.4 Ų134.443%0.42971%0.713SS.*  trans-80.6118.4170.250.10000107R230 Y234 L247R230-T232 VanDerWaalsContact C-N 3.31Å; R230-T232 PolarHBondContact O-N 3.14Å; T232-Y234 WeakPolarHBondContact O-CD1 3.4Å; T232-Y234 PolarHBondContact O-N 3.02Å; T232-L247 HydrophobicContact CG2-CD2 3.99Å
233D57.7Low57.4Low133 Ų133130.4 Ų130.471%0.71169%0.688SS**  trans-66.3106.4170.5-64.1-35000107.6
234Y57.9Low58.9Low144 Ų144122 Ų12257%0.56566%0.659SS**EExtended strand (participates in β ladder)trans-91.2127.9174.150.9-93.1000108.7T232 T236 F245 F246T232-Y234 WeakPolarHBondContact O-CD1 3.4Å; T232-Y234 PolarHBondContact O-N 3.02Å; Y234-T236 HydrophobicContact CD2-CG2 3.5Å; Y234-T236 HydrophobicContact CE2-CG2 3.72Å; Y234-F245 AromaticContact CD2-CD1 3.73Å; Y234-F245 HydrophobicContact CD2-CD1 3.73Å; Y234-F245 HydrophobicContact CD2-CE1 4.21Å; Y234-F245 HydrophobicContact CE2-CD1 4.2Å; Y234-F245 HydrophobicContact CE2-CE1 4.22Å; Y234-F245 HydrophobicContact CG-CD1 4.26Å; Y234-F246 CarbonylContact C-O 3.56Å; Y234-F246 VanDerWaalsContact CA-O 3.23Å; Y234-F246 WeakPolarHBondContact CA-O 3.24Å
235A61Low60.2Low45 Ų45117.8 Ų117.837%0.37265%0.647SS.*EExtended strand (participates in β ladder)trans-78.3126.9163.900000107.6F246A235-F246 HydrophobicContact CB-CB 4.28Å; A235-F246 PolarHBondContact N-O 2.96Å; A235-F246 PolarHBondContact O-N 2.93Å
236T60.4Low61.6Low77 Ų77119.2 Ų119.247%0.47263%0.632SS.*EExtended strand (participates in β ladder)trans-98132.1171.8600000109.8Y234 A244 F245Y234-T236 HydrophobicContact CD2-CG2 3.5Å; Y234-T236 HydrophobicContact CE2-CG2 3.72Å; T236-A244 WeakPolarHBondContact CA-O 3.37Å; T236-F245 HydrophobicContact CG2-CD1 3.56Å; T236-F245 HydrophobicContact CG2-CE1 3.57Å
237L64.6Low62.6Low104 Ų104118.6 Ų118.655%0.54562%0.623SS.*EExtended strand (participates in β ladder)trans-116.7118.2168.3-173.870000108.2A244 F246L237-A244 PolarHBondContact N-O 3.46Å; L237-A244 PolarHBondContact O-N 2.92Å; L237-F246 HydrophobicContact CB-CE2 3.75Å; L237-F246 HydrophobicContact CD2-CE2 4.33Å
238K73.5Confident63.3Low156 Ų156121.1 Ų121.168%0.67862%0.624SS**EExtended strand (participates in β ladder)trans-93.3126.8170.8-69-149.1175.4-167.20109.9T243K238-T243 VanDerWaalsContact CE-OG1 3.31Å; K238-T243 WeakPolarHBondContact CE-OG1 3.08Å; K238-T243 HydrophobicContact CG-CG2 4.02Å
239H55.8Low63.7Low156 Ų156128.3 Ų128.372%0.72264%0.643SS**EExtended strand (participates in β ladder)trans-130.7107169.2-170.871.5000109N241 T242H239-N241 PolarHBondContact O-N 3.02Å; H239-T242 PolarHBondContact N-O 2.96Å; H239-T242 PolarHBondContact O-N 3.47Å
240G76.9Confident64.4Low68 Ų68127.9 Ų127.970%0.70163%0.633SS**THydrogen-bonded Turntrans58.3-128-17200000111.5T242G240-T242 VanDerWaalsContact C-N 3.28Å; G240-T242 PolarHBondContact O-N 2.91Å
241N76.7Confident64.8Low176 Ų176123 Ų12394%0.94162%0.623SS**THydrogen-bonded Turntrans-83.8-0.9177.3-69.5-5.1000113.5H239H239-N241 PolarHBondContact O-N 3.02Å
242T57.2Low65.1Low99 Ų99116.4 Ų116.461%0.60761%0.607SS**EExtended strand (participates in β ladder)trans-100.8132.1-177.9-49.20000110.3H239 G240H239-T242 PolarHBondContact N-O 2.96Å; H239-T242 PolarHBondContact O-N 3.47Å; G240-T242 VanDerWaalsContact C-N 3.28Å; G240-T242 PolarHBondContact O-N 2.91Å
243T74.7Confident65.5Low48 Ų48119.2 Ų119.229%0.29462%0.617SS.*EExtended strand (participates in β ladder)trans-115117.5173-540000108.7K238 F245K238-T243 VanDerWaalsContact CE-OG1 3.31Å; K238-T243 WeakPolarHBondContact CE-OG1 3.08Å; K238-T243 HydrophobicContact CG-CG2 4.02Å; T243-F245 HydrophobicContact CG2-CE1 4.44Å; T243-F245 HydrophobicContact CG2-CE2 4.03Å; T243-F245 HydrophobicContact CG2-CZ 3.92Å
244A71.8Confident66Low42 Ų42118.3 Ų118.335%0.34761%0.611SS.*EExtended strand (participates in β ladder)trans-95.4140.2172.600000110T236 L237 F246T236-A244 WeakPolarHBondContact CA-O 3.37Å; L237-A244 PolarHBondContact N-O 3.46Å; L237-A244 PolarHBondContact O-N 2.92Å; A244-F246 HydrophobicContact CB-CE2 4.02Å; A244-F246 HydrophobicContact CB-CZ 4.24Å
245F70.7Confident66.5Low130 Ų130116.6 Ų116.657%0.5762%0.615SS**EExtended strand (participates in β ladder)trans-111.9121.7175.7-61.1-93000108.7Y234 T236 T243Y234-F245 AromaticContact CD2-CD1 3.73Å; Y234-F245 HydrophobicContact CD2-CD1 3.73Å; Y234-F245 HydrophobicContact CD2-CE1 4.21Å; Y234-F245 HydrophobicContact CE2-CD1 4.2Å; Y234-F245 HydrophobicContact CE2-CE1 4.22Å; Y234-F245 HydrophobicContact CG-CD1 4.26Å; T236-F245 HydrophobicContact CG2-CD1 3.56Å; T236-F245 HydrophobicContact CG2-CE1 3.57Å; T243-F245 HydrophobicContact CG2-CE1 4.44Å; T243-F245 HydrophobicContact CG2-CE2 4.03Å; T243-F245 HydrophobicContact CG2-CZ 3.92Å
246F70Confident66.9Low110 Ų110121.7 Ų121.748%0.48263%0.632SS.*EExtended strand (participates in β ladder)trans-104115.3174.9-60.5-86.8000108.6Y234 A235 L237 A244 H248Y234-F246 CarbonylContact C-O 3.56Å; Y234-F246 VanDerWaalsContact CA-O 3.23Å; Y234-F246 WeakPolarHBondContact CA-O 3.24Å; A235-F246 HydrophobicContact CB-CB 4.28Å; A235-F246 PolarHBondContact N-O 2.96Å; A235-F246 PolarHBondContact O-N 2.93Å; L237-F246 HydrophobicContact CB-CE2 3.75Å; L237-F246 HydrophobicContact CD2-CE2 4.33Å; A244-F246 HydrophobicContact CB-CE2 4.02Å; A244-F246 HydrophobicContact CB-CZ 4.24Å; F246-H248 PolarHBondContact O-N 3.34Å
247L64.4Low67.4Low118 Ų118125.2 Ų125.262%0.61864%0.644SS**EExtended strand (participates in β ladder)trans-74.2122.3166.9-74.6116000108.7T232 K249T232-L247 HydrophobicContact CG2-CD2 3.99Å; L247-K249 PolarHBondContact O-N 3.35Å
248H59.8Low67.6Low147 Ų147126.9 Ų126.968%0.68165%0.652SS**  trans-65.6121.8161.6-94.1-95.8000108.5F246F246-H248 PolarHBondContact O-N 3.34Å
249K60.3Low67.1Low273 Ų273124.3 Ų124.3100%1.18765%0.65SS**  trans-84.60167.3-75.7-171.8178.5-1780110L247L247-K249 PolarHBondContact O-N 3.35Å

Retrieved 249 of 249 residues in 315.5 ms (Link to these results)