A0A096MW46_PAPAN Loading...

Growth/differentiation factor 6

AlphaFold DB , UniProt , Accession A0A096MW46, Species PAPAN (Papio anubis, Olive baboon), Gene GDF6, Length 455 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
1M31.8Very low41.2Very low222 Ų222137.8 Ų137.8100%1.09476%0.755SS**  01180-58.7-176.889.300109.4
2D32.1Very low41Very low135 Ų135140.9 Ų140.972%0.72276%0.756SS**  cis-151.8141.8-20.8-83.5-48000110.6
3T42.5Very low41.1Very low132 Ų132140.6 Ų140.681%0.8175%0.753SS**  trans-77.2130.7155.848.70000107.9
4P43.6Very low41.5Very low102 Ų102138.9 Ų138.966%0.66274%0.741SS**  -156.6123.587.235.8-15.2000116
5R41.6Very low41.6Very low249 Ų249136.1 Ų136.194%0.9474%0.738SS**SBendtrans-137.8-1.7161.4-86.5-166.3168.1152.8-0.9116.7
6V44.8Very low41.6Very low135 Ų135139.3 Ų139.382%0.81874%0.743SS**SBendtrans-89.6-25.5-175.9-177.20000113.2L8V6-L8 PolarHBondContact O-N 3.29Å
7L41.8Very low41.5Very low138 Ų138140.5 Ų140.572%0.72375%0.748SS**THydrogen-bonded Turntrans-74.2-17.9-169.8-85.6160.9000116
8L42.1Very low41.5Very low153 Ų153145 Ų14580%0.80175%0.753SS**THydrogen-bonded Turntrans-83.9-13.2-174.3-82.6164.9000115V6V6-L8 PolarHBondContact O-N 3.29Å
9S42.1Very low41.5Very low97 Ų97145.8 Ų145.868%0.67876%0.759SS**THydrogen-bonded Turntrans-85.5-21.6175.4-165.10000113.5
10A44.1Very low41.1Very low57 Ų57146.6 Ų146.647%0.47176%0.763SS.*THydrogen-bonded Turntrans-80.8-25.4-173.600000113.7
11V46.8Very low40.9Very low96 Ų96146 Ų14658%0.58277%0.768SS**G310 helixtrans-79-28.3-172.1-177.60000112.7
12F38.8Very low41.1Very low175 Ų175138.8 Ų138.877%0.76875%0.751SS**G310 helixtrans-82.6-8.4-176.4-96.7-79.5000115.6
13L42.6Very low41Very low137 Ų137142.5 Ų142.572%0.71776%0.761SS**G310 helixtrans-99.7-6179.8-74.4171.2000114.3
14I46.8Very low40.5Very low116 Ų116145 Ų14560%0.59576%0.763SS**SBendtrans-92-20.8-176.7-64.5175.4000112F16I14-F16 PolarHBondContact O-N 3.34Å
15S43.1Very low39.8Very low98 Ų98148.4 Ų148.469%0.68577%0.77SS**THydrogen-bonded Turntrans-93.416.1-172.1-50.20000115.8
16F41.1Very low39.1Very low187 Ų187141.1 Ų141.182%0.8276%0.763SS**THydrogen-bonded Turntrans-130.412.3-175.5-99.6-72.6000115.4I14I14-F16 PolarHBondContact O-N 3.34Å
17L40.6Very low38.2Very low159 Ų159139.8 Ų139.883%0.83276%0.76SS**SBendtrans-129.615.2-178.7-74.2174.1000114.7
18W40.2Very low37.6Very low222 Ų222140.8 Ų140.884%0.84176%0.764SS**SBendtrans-92.9-11.7179.8-132.9-54.8000114.5
19D41.9Very low36.7Very low160 Ų160139 Ų13986%0.85677%0.765SS**SBendtrans-115.559.5-175.3-79.9-63.3000113.9
20L33.6Very low35.9Very low162 Ų162140.1 Ų140.185%0.84877%0.772SS**  trans-141127.8153.1-87.5-179.1000110.3
21P36.6Very low35.1Very low134 Ų134143.2 Ų143.287%0.8779%0.79SS**  trans-81.8130.6-174.832-34.1000111.8
22G37.2Very low34.1Very low70 Ų70144.3 Ų144.372%0.72280%0.802SS**  trans-174.53.8-178.800000120.1
23F29.1Very low33.6Very low213 Ų213141.7 Ų141.793%0.93481%0.806SS**  trans-149.9105.5176.1-102.5-79.5000113.5
24Q32.8Very low32.8Very low186 Ų186141.2 Ų141.287%0.86981%0.814SS**  trans-145.4156150.4-80.4-152.6-18.300109.3
25Q29.1Very low31.8Very low173 Ų173140.3 Ų140.381%0.80882%0.824SS**  trans-66.9136.2-173.3-65.2108.9-52.900112.9S27Q25-S27 VanDerWaalsContact C-N 3.26Å; Q25-S27 PolarHBondContact O-N 2.92Å
26A26.5Very low31Very low96 Ų96143.8 Ų143.879%0.79383%0.829SS**  trans-79.865.817500000112.4I28A26-I28 PolarHBondContact O-N 3.22Å
27S26.2Very low30.2Very low106 Ų106142.3 Ų142.374%0.74183%0.829SS**  trans-85.39116556.60000109.8Q25 S29Q25-S27 VanDerWaalsContact C-N 3.26Å; Q25-S27 PolarHBondContact O-N 2.92Å; S27-S29 PolarHBondContact O-N 3.3Å
28I28.5Very low29.5Very low160 Ų160138.5 Ų138.582%0.82183%0.828SS**  trans-8799.6178.2-57.7178.2000109.7A26A26-I28 PolarHBondContact O-N 3.22Å
29S23.2Very low28.8Very low116 Ų116133.7 Ų133.781%0.81183%0.828SS**  trans-104.8122.9160.2-68.70000108.8S27S27-S29 PolarHBondContact O-N 3.3Å
30S25.1Very low28.3Very low119 Ų119132.7 Ų132.783%0.83283%0.828SS**  trans-76.8130.1179.355.50000112.1
31S26.8Very low28.1Very low122 Ų122134.8 Ų134.885%0.85383%0.83SS**  trans-144.8144155.762.30000111
32S26.7Very low27.6Very low119 Ų119131.6 Ų131.683%0.83282%0.822SS**  trans-121.6130.117956.10000109.6
33S27.5Very low27.1Very low120 Ų120135.6 Ų135.684%0.83982%0.824SS**  trans-150.4144.1164.452.60000111.4
34S25.7Very low27Very low128 Ų128136.1 Ų136.190%0.89582%0.82SS**  trans-97.1144.7-171.2-470000112.3
35A26.3Very low26.7Very low96 Ų96132.1 Ų132.179%0.79381%0.812SS**  trans170.4149.1150.400000108.3
36E26.1Very low26.7Very low171 Ų171133.1 Ų133.180%0.79981%0.808SS**  cis-173.6169.7-32-121-161.4106.800105.2
37L25.1Very low26.9Very low157 Ų157136 Ų13682%0.82280%0.803SS**  trans-7.1135.6175-80.759.1000121.1
38G25.6Very low27Very low79 Ų79137.4 Ų137.481%0.81480%0.798SS**  trans-165.255.3170.900000116.1
39S25.4Very low27Very low120 Ų120133.5 Ų133.584%0.83980%0.797SS**  trans-83.4126.5-175.5140.40000114.4
40T31.4Very low27.2Very low140 Ų140137.7 Ų137.786%0.85980%0.801SS**  trans-144.8154.3156.2290000114.8
41K29.6Very low27.4Very low205 Ų205139.2 Ų139.289%0.89180%0.796SS**  trans-60.8162174.2-59.7146.2-179.4170.10111.3
42G26Very low27.4Very low67 Ų67139.7 Ų139.769%0.69179%0.785SS**  cis147.3-160.47.400000110.5
43M27.1Very low27.4Very low154 Ų154144.2 Ų144.276%0.75978%0.784SS**  trans69.7115-177.3-107.339.691.600113.7
44R26.5Very low27.4Very low225 Ų225142.2 Ų142.285%0.84978%0.775SS**  72.9139.474.7-78.4-170.4-174.4-177.10.8113.7
45S27.3Very low28Very low102 Ų102142.2 Ų142.271%0.71377%0.772SS**  cis-174.1160.1-9.8-159.10000111.5
46R29.3Very low28.1Very low193 Ų193147.8 Ų147.873%0.72877%0.772SS**  trans73.1150.1150.9-137.5164174.3174.53.6115.2E48R46-E48 IonicContact CZ-OE2 3.71Å; R46-E48 VanDerWaalsContact CZ-OE2 3.23Å; R46-E48 IonicContact NE-OE2 3.53Å; R46-E48 PolarHBondContact NE-OE2 3.34Å; R46-E48 IonicContact NH2-OE2 2.8Å; R46-E48 PolarHBondContact NH2-OE2 2.64Å
47K29.6Very low28.3Very low158 Ų158146.2 Ų146.269%0.68777%0.765SS**  cis-153.2136.827.1-166.1155.6-170.6-170.20115.2
48E28.4Very low28.4Very low135 Ų135143.4 Ų143.463%0.63176%0.758SS**  trans14139.1139.3-48.1157.464.300118.9R46R46-E48 IonicContact CZ-OE2 3.71Å; R46-E48 VanDerWaalsContact CZ-OE2 3.23Å; R46-E48 IonicContact NE-OE2 3.53Å; R46-E48 PolarHBondContact NE-OE2 3.34Å; R46-E48 IonicContact NH2-OE2 2.8Å; R46-E48 PolarHBondContact NH2-OE2 2.64Å
49G28.9Very low28.5Very low78 Ų78146.8 Ų146.880%0.80476%0.758SS**  cis-161.4-154.49.900000111.9
50K26.9Very low28.6Very low203 Ų203145.4 Ų145.488%0.88375%0.754SS**  cis-164145.222.9179.6175.5-178.4-178.20112.7
51M28.9Very low28.4Very low151 Ų151142.5 Ų142.574%0.74475%0.751SS**  trans9.5133.6145.6-129.356.911200117.4
52Q27.9Very low28.3Very low133 Ų133142.6 Ų142.662%0.62175%0.746SS**  cis-165.2-173.111.7-136.2176.75700108.7
53R26.8Very low28.2Very low214 Ų214146.9 Ų146.981%0.80875%0.748SS**  cis-160177.14.5-156.7-176.8177.3111.1-11109.7
54A27.6Very low28.2Very low78 Ų78143 Ų14365%0.64575%0.748SS**  trans-138.5174.7163.600000111.2
55P36.4Very low28.2Very low127 Ų127142.2 Ų142.283%0.82575%0.754SS**  trans-123.8149.3147.119.9-0.4000113.5
56R28.5Very low28.2Very low213 Ų213146 Ų14680%0.80476%0.76SS**  trans-91.8-166.1159.5-61.3-177.9175.4177.8-5108.3
57E30.3Very low28.6Very low139 Ų139141.8 Ų141.865%0.6576%0.758SS**  cis-156.717215.4-137.4123.8-155.900106
58S27.6Very low28.4Very low97 Ų97143.8 Ų143.868%0.67877%0.769SS**  -177.5150.150.1410000111.5
59D28.2Very low28.3Very low150 Ų150148.3 Ų148.380%0.80278%0.781SS**  trans39.7150133.6-61.5-41.3000124.2
60A27.6Very low28.1Very low92 Ų92154.8 Ų154.876%0.7678%0.781SS**  cis-169.8159.5-15.500000112.7
61G26.8Very low28.4Very low78 Ų78150.7 Ų150.780%0.80478%0.775SS**  trans96.3158.3160.100000117.1
62R27.4Very low28.6Very low208 Ų208151.4 Ų151.479%0.78578%0.777SS**  cis-163.9139.1-11.9-174.6170.4178.1163.33.4110.6
63E25.1Very low28.7Very low156 Ų156152.8 Ų152.873%0.72979%0.789SS**  trans44.4126159.5-69.2157.2-160.500121.8
64G25.6Very low28.8Very low73 Ų73151.3 Ų151.375%0.75379%0.791SS**  130.6118129.900000121.5
65Q26.4Very low29Very low208 Ų208152.8 Ų152.897%0.97279%0.794SS**  trans77.6157.3146.4-60.2-174-7.700121.5
66E28.2Very low28.7Very low181 Ų181156 Ų15685%0.84680%0.798SS**  trans-116.2-174.1-169.5-134.2-160.110000110.8
67P37.6Very low28.6Very low105 Ų105150.4 Ų150.468%0.68280%0.797SS**  -102.9150.1-126.835.5-20.7000115
68Q26.1Very low28.7Very low200 Ų200152.9 Ų152.994%0.93581%0.809SS**  trans-118.8163.3168.4-73-168.5-14.500112.5
69R24.6Very low28.9Very low231 Ų231157.1 Ų157.187%0.87282%0.818SS**  trans-112.8166.3-162.6-62.1173.2167.8172.9-5.7112.5
70R25.2Very low29.1Very low213 Ų213155.9 Ų155.980%0.80482%0.818SS**  trans76160.9160.1-76.7-175-172.2-173.83.3115.5
71P34Very low29.3Very low118 Ų118162.8 Ų162.877%0.76682%0.824SS**  cis-109.5-179.311.240.2-30.2000116.5
72Q31.9Very low29.5Very low166 Ų166163.8 Ų163.878%0.77683%0.825SS**  trans-95152166.7-61159.1-100.400108.2
73D30.6Very low29.8Very low162 Ų162163 Ų16387%0.86683%0.83SS**  trans-142.5165.7161.3-101.3-51.7000110.3
74E29.6Very low30.3Very low183 Ų183161.5 Ų161.586%0.85582%0.823SS**PPolyproline II helixtrans-92.8171.8-149.6-101.8-152.898.300117.2
75P31.1Very low30.6Very low108 Ų108163.4 Ų163.470%0.70182%0.822SS**PPolyproline II helixtrans-82.2150.6-153.732.1-37000115.8
76Q30Very low31.2Very low195 Ų195160 Ų16091%0.91182%0.818SS**PPolyproline II helixtrans-67.4137169.8-73.5-175.7-32.800111.8
77A27.6Very low31.7Very low96 Ų96155.2 Ų155.279%0.79382%0.817SS**PPolyproline II helixtrans-66143.3-175.200000113.3Q79A77-Q79 PolarHBondContact O-N 3.5Å
78Q31.8Very low32.1Very low191 Ų191157.8 Ų157.889%0.89381%0.813SS**PPolyproline II helixtrans-68.5116.9174.7-64.5175.7-2.200110.2
79Q31.1Very low33.3Very low185 Ų185150.9 Ų150.986%0.86480%0.796SS**PPolyproline II helixtrans-67.6132.1166.1-72.4-179-23.900109.3A77A77-Q79 PolarHBondContact O-N 3.5Å
80P32.8Very low34.9Very low124 Ų124145.4 Ų145.481%0.80579%0.79SS**PPolyproline II helixtrans-60.6140175-22.133.1000111A82P80-A82 PolarHBondContact O-N 3.18Å
81R31Very low37.2Very low237 Ų237142.3 Ų142.389%0.89478%0.779SS**PPolyproline II helixtrans-57.5131.8169.7-71.4-178.8175.9179-1.5109.3Q83R81-Q83 PolarHBondContact O-N 3.48Å
82A31.5Very low39.7Very low99 Ų99138.6 Ų138.682%0.81875%0.754SS**PPolyproline II helixtrans-55.2124.7165.500000108.8P80P80-A82 PolarHBondContact O-N 3.18Å
83Q34Very low42.4Very low192 Ų192134.8 Ų134.890%0.89774%0.741SS**PPolyproline II helixtrans-75.3126.6176.5-68.4178.1-13.500108.5R81R81-Q83 PolarHBondContact O-N 3.48Å
84E35.3Very low45.3Very low125 Ų125128.2 Ų128.258%0.58471%0.708SS**PPolyproline II helixtrans-72.8144.1176.2-53.7-153.8115.200110R91E84-R91 VanDerWaalsContact CD-NH1 3.27Å; E84-R91 VanDerWaalsContact CD-NH2 3.26Å; E84-R91 IonicContact OE1-CZ 3.13Å; E84-R91 IonicContact OE1-NH1 2.86Å; E84-R91 PolarHBondContact OE1-NH1 2.84Å; E84-R91 IonicContact OE1-NH2 2.73Å; E84-R91 PolarHBondContact OE1-NH2 3.05Å; E84-R91 IonicContact OE2-CZ 3.22Å; E84-R91 VanDerWaalsContact OE2-CZ 3.22Å; E84-R91 IonicContact OE2-NE 3.96Å; E84-R91 IonicContact OE2-NH1 2.66Å; E84-R91 PolarHBondContact OE2-NH1 2.91Å; E84-R91 IonicContact OE2-NH2 3.3Å; E84-R91 PolarHBondContact OE2-NH2 2.7Å
85P32.3Very low48.3Very low112 Ų112120.2 Ų120.273%0.72767%0.67SS**PPolyproline II helixtrans-63.4132-176.624.8-33.8000111.1G87P85-G87 PolarHBondContact O-N 3.3Å
86P38.3Very low51.3Low137 Ų137119.4 Ų119.489%0.8966%0.657SS**THydrogen-bonded Turntrans-70.5114.2-179.128.7-33.7000110
87G38.4Very low54.3Low80 Ų80112.3 Ų112.383%0.82562%0.622SS**THydrogen-bonded Turntrans164.9-30.317800000115.1P85P85-G87 PolarHBondContact O-N 3.3Å
88R46.4Very low57.5Low159 Ų159107.7 Ų107.760%0.658%0.584SS**  trans-75.8138.7170.2-71-169.9-176.8-159.3-3.8110.6D370R88-D370 VanDerWaalsContact CZ-CG 3.46Å; R88-D370 IonicContact CZ-OD1 3.05Å; R88-D370 IonicContact CZ-OD2 3.22Å; R88-D370 VanDerWaalsContact CZ-OD2 3.27Å; R88-D370 IonicContact NE-OD2 2.98Å; R88-D370 IonicContact NH1-OD1 3.27Å; R88-D370 PolarHBondContact NH1-OD1 3.31Å; R88-D370 IonicContact NH1-OD2 3.35Å; R88-D370 IonicContact NH2-OD1 2.7Å; R88-D370 PolarHBondContact NH2-OD1 3.35Å; R88-D370 IonicContact NH2-OD2 3.1Å; R88-D370 PolarHBondContact NH2-OD2 3.19Å
89G51.4Low60.5Low55 Ų55100.3 Ų100.357%0.56755%0.551SS**  trans-62.8175.8168.700000112.5R91G89-R91 PolarHBondContact O-N 3.3Å
90P58.8Low63.4Low116 Ų11693.4 Ų93.475%0.75352%0.523SS*.  trans-58.3115.5-179.725.6-34.3000110.3V92P90-V92 PolarHBondContact O-N 2.73Å; P90-V92 VanDerWaalsContact O-N 3.08Å
91R72.9Confident66.2Low149 Ų14987.9 Ų87.956%0.56249%0.487SS*.  trans-57.8116.9-179.3-73.3-172.6179.2150.66.6110.5E84 G89 V93E84-R91 VanDerWaalsContact CD-NH1 3.27Å; E84-R91 VanDerWaalsContact CD-NH2 3.26Å; E84-R91 IonicContact OE1-CZ 3.13Å; E84-R91 IonicContact OE1-NH1 2.86Å; E84-R91 PolarHBondContact OE1-NH1 2.84Å; E84-R91 IonicContact OE1-NH2 2.73Å; E84-R91 PolarHBondContact OE1-NH2 3.05Å; E84-R91 IonicContact OE2-CZ 3.22Å; E84-R91 VanDerWaalsContact OE2-CZ 3.22Å; E84-R91 IonicContact OE2-NE 3.96Å; E84-R91 IonicContact OE2-NH1 2.66Å; E84-R91 PolarHBondContact OE2-NH1 2.91Å; E84-R91 IonicContact OE2-NH2 3.3Å; E84-R91 PolarHBondContact OE2-NH2 2.7Å; G89-R91 PolarHBondContact O-N 3.3Å; R91-V93 PolarHBondContact O-N 3.35Å
92V85.8Confident69.2Low40 Ų4078 Ų7824%0.24245%0.45CS..  trans-63.5121.4170.6-177.30000108P90 P94 I433 N437 V439P90-V92 PolarHBondContact O-N 2.73Å; P90-V92 VanDerWaalsContact O-N 3.08Å; V92-P94 WeakPolarHBondContact O-CD 3.33Å; V92-I433 HydrophobicContact CB-CD1 3.96Å; V92-I433 HydrophobicContact CB-CG1 4.28Å; V92-I433 HydrophobicContact CB-CG2 4.27Å; V92-I433 HydrophobicContact CG1-CG1 4.41Å; V92-I433 HydrophobicContact CG2-CG2 3.88Å; V92-N437 HydrophobicContact CG2-CB 3.71Å; V92-V439 HydrophobicContact CG1-CG2 3.79Å
93V89.1Confident72.2Confident86 Ų8678.9 Ų78.952%0.52143%0.432SS..  trans-98.2111.5175.4-178.20000107.4R91 H95R91-V93 PolarHBondContact O-N 3.35Å; V93-H95 PolarHBondContact O-N 2.79Å
94P92.2Very high74.8Confident24 Ų2472.3 Ų72.316%0.15641%0.405CS..  trans-63.2135.4-175.6-24.635.8000112.3V92 L99 Q273 I373 V439V92-P94 WeakPolarHBondContact O-CD 3.33Å; P94-L99 HydrophobicContact CB-CD2 4.16Å; P94-L99 HydrophobicContact CB-CG 4.21Å; P94-Q273 PolarHBondContact O-NE2 3.34Å; P94-I373 HydrophobicContact CB-CD1 4.17Å; P94-I373 HydrophobicContact CG-CD1 3.53Å; P94-I373 HydrophobicContact CG-CG1 4.02Å; P94-I373 HydrophobicContact CG-CG2 4.06Å; P94-V439 HydrophobicContact CB-CG1 4.45Å; P94-V439 HydrophobicContact CB-CG2 4.14Å; P94-V439 HydrophobicContact CG-CG2 4.32Å
95H93.1Very high77.3Confident14 Ų1467.3 Ų67.37%0.06538%0.381CS..  trans-65.8137.1179.9-158-91.7000110.6V93 Y97 M98 L99 W212 Q273 L277V93-H95 PolarHBondContact O-N 2.79Å; H95-Y97 PolarHBondContact O-N 2.87Å; H95-M98 HydrophobicContact CB-CG 4.49Å; H95-M98 PolarHBondContact O-N 2.98Å; H95-L99 PolarHBondContact O-N 2.97Å; H95-L99 VanDerWaalsContact O-N 3.14Å; H95-W212 AromaticContact CE1-CH2 3.39Å; H95-W212 WeakPolarHBondContact CE1-CH2 3.41Å; H95-W212 AromaticContact CE1-CZ2 3.33Å; H95-W212 WeakPolarHBondContact CE1-CZ2 3.4Å; H95-W212 AromaticContact NE2-CH2 3.21Å; H95-W212 WeakPolarHBondContact NE2-CH2 2.9Å; H95-W212 AromaticContact NE2-CZ2 3.46Å; H95-W212 WeakPolarHBondContact NE2-CZ2 3.46Å; H95-Q273 VanDerWaalsContact CA-OE1 3.3Å; H95-Q273 PolarHBondContact NE2-O 3.36Å; H95-L277 HydrophobicContact CB-CD1 4.27Å; H95-L277 HydrophobicContact CB-CD2 3.99Å
96E92.7Very high80Confident92 Ų9262.3 Ų62.343%0.4335%0.349SS..Hα-helixtrans-56.7-30.9-176.7-169.660.3-147.600112.1L99 S100 R103E96-L99 PolarHBondContact O-N 3.29Å; E96-S100 WeakPolarHBondContact O-CB 3.32Å; E96-S100 PolarHBondContact O-N 3.09Å; E96-R103 IonicContact OE1-CZ 3.68Å; E96-R103 IonicContact OE1-NH1 3.12Å; E96-R103 PolarHBondContact OE1-NH1 3.07Å; E96-R103 IonicContact OE1-NH2 3.89Å; E96-R103 PolarHBondContact OE1-NH2 2.76Å; E96-R103 IonicContact OE2-NH2 3.65Å
97Y93.1Very high82.3Confident45 Ų4560.6 Ų60.618%0.17633%0.331CS..Hα-helixtrans-61.4-42.9171.9-177-115.4000113.4H95 S100 I101 R167 L277 V279H95-Y97 PolarHBondContact O-N 2.87Å; Y97-S100 WeakPolarHBondContact O-CB 3.13Å; Y97-S100 PolarHBondContact O-N 3.12Å; Y97-S100 VanDerWaalsContact O-N 3.14Å; Y97-S100 PolarHBondContact O-OG 3.17Å; Y97-I101 HydrophobicContact CD1-CD1 4.12Å; Y97-I101 HydrophobicContact CE1-CD1 3.58Å; Y97-I101 HydrophobicContact CE1-CG1 4.41Å; Y97-I101 HydrophobicContact CE2-CD1 4.48Å; Y97-I101 PolarHBondContact O-N 2.82Å; Y97-R167 VanDerWaalsContact CE2-CZ 3.48Å; Y97-R167 VanDerWaalsContact CZ-NH1 3.35Å; Y97-R167 PolarHBondContact OH-NH1 2.81Å; Y97-L277 HydrophobicContact CD1-CD2 4.25Å; Y97-V279 HydrophobicContact CD1-CG2 3.97Å; Y97-V279 HydrophobicContact CE1-CB 4.38Å; Y97-V279 HydrophobicContact CE1-CG1 4.21Å; Y97-V279 HydrophobicContact CE1-CG2 3.88Å
98M94.6Very high84.5Confident0 Ų057 Ų570%029%0.293CS..Hα-helixtrans-69.7-36176.7-67.6-55.7-71.500112.1H95 S100 I101 Y102 I127 S129 V279 L431 V439H95-M98 HydrophobicContact CB-CG 4.49Å; H95-M98 PolarHBondContact O-N 2.98Å; M98-S100 VanDerWaalsContact C-N 3.29Å; M98-S100 PolarHBondContact O-N 2.99Å; M98-I101 PolarHBondContact O-N 3.02Å; M98-I101 HydrophobicContact SD-CD1 3.94Å; M98-Y102 PolarHBondContact O-N 2.98Å; M98-I127 HydrophobicContact CE-CG2 4.16Å; M98-I127 WeakPolarHBondContact CE-O 3.49Å; M98-S129 WeakPolarHBondContact CG-OG 3.41Å; M98-V279 HydrophobicContact SD-CG1 4.25Å; M98-L431 HydrophobicContact CB-CD1 4.41Å; M98-V439 HydrophobicContact CB-CG1 4.07Å; M98-V439 HydrophobicContact CG-CG1 4.36Å
99L94.6Very high86.2Confident35 Ų3551.4 Ų51.418%0.18327%0.274CS..Hα-helixtrans-62-38.8169-63.2172.5000110.9P94 H95 E96 Y102 R103 I373 L431P94-L99 HydrophobicContact CB-CD2 4.16Å; P94-L99 HydrophobicContact CB-CG 4.21Å; H95-L99 PolarHBondContact O-N 2.97Å; H95-L99 VanDerWaalsContact O-N 3.14Å; E96-L99 PolarHBondContact O-N 3.29Å; L99-Y102 PolarHBondContact O-N 3.01Å; L99-R103 WeakPolarHBondContact O-CB 3.16Å; L99-R103 WeakPolarHBondContact O-CG 3.14Å; L99-R103 PolarHBondContact O-N 2.96Å; L99-I373 HydrophobicContact CD2-CG2 4.36Å; L99-L431 HydrophobicContact CD2-CD2 3.7Å
100S93.4Very high87.6Confident41 Ų4156.7 Ų56.729%0.28728%0.281SS..Hα-helixtrans-66.9-38.1177.2830000113E96 Y97 M98 T104E96-S100 WeakPolarHBondContact O-CB 3.32Å; E96-S100 PolarHBondContact O-N 3.09Å; Y97-S100 WeakPolarHBondContact O-CB 3.13Å; Y97-S100 PolarHBondContact O-N 3.12Å; Y97-S100 VanDerWaalsContact O-N 3.14Å; Y97-S100 PolarHBondContact O-OG 3.17Å; M98-S100 VanDerWaalsContact C-N 3.29Å; M98-S100 PolarHBondContact O-N 2.99Å; S100-T104 VanDerWaalsContact O-CB 3.31Å; S100-T104 WeakPolarHBondContact O-CB 3.18Å; S100-T104 PolarHBondContact O-N 3.37Å; S100-T104 PolarHBondContact O-OG1 3.02Å
101I91.9Very high88.8Confident8 Ų856.9 Ų56.94%0.04128%0.275CS..Hα-helixtrans-60.4-56.4171.7-72.5172.7000109.6Y97 M98 R103 T104 Y105 I127 Y441Y97-I101 HydrophobicContact CD1-CD1 4.12Å; Y97-I101 HydrophobicContact CE1-CD1 3.58Å; Y97-I101 HydrophobicContact CE1-CG1 4.41Å; Y97-I101 HydrophobicContact CE2-CD1 4.48Å; Y97-I101 PolarHBondContact O-N 2.82Å; M98-I101 PolarHBondContact O-N 3.02Å; M98-I101 HydrophobicContact SD-CD1 3.94Å; I101-R103 VanDerWaalsContact C-N 3.34Å; I101-R103 PolarHBondContact O-N 3.48Å; I101-T104 PolarHBondContact O-N 3.16Å; I101-T104 VanDerWaalsContact O-N 3.13Å; I101-Y105 HydrophobicContact CG2-CD2 4.02Å; I101-Y105 HydrophobicContact CG2-CE2 4.1Å; I101-Y105 WeakPolarHBondContact O-CD2 3.34Å; I101-Y105 PolarHBondContact O-N 3.32Å; I101-I127 HydrophobicContact CD1-CG2 4.27Å; I101-I127 HydrophobicContact CG2-CD1 3.91Å; I101-Y441 HydrophobicContact CG2-CD1 4.23Å; I101-Y441 HydrophobicContact CG2-CD2 4.12Å; I101-Y441 HydrophobicContact CG2-CG 3.93Å
102Y93.5Very high88.8Confident30 Ų3053.1 Ų53.112%0.11828%0.283CS..Hα-helixtrans-55.6-46.6179.8170.1-94.5000112.6M98 L99 T104 S106 A374 P375 L431 Y441M98-Y102 PolarHBondContact O-N 2.98Å; L99-Y102 PolarHBondContact O-N 3.01Å; Y102-T104 PolarHBondContact O-N 2.77Å; Y102-S106 VanDerWaalsContact O-CB 3.24Å; Y102-S106 WeakPolarHBondContact O-CB 3.45Å; Y102-S106 PolarHBondContact O-N 3.09Å; Y102-S106 PolarHBondContact O-OG 3.38Å; Y102-A374 HydrophobicContact CD1-CB 4.02Å; Y102-A374 HydrophobicContact CE1-CB 3.48Å; Y102-A374 VanDerWaalsContact CE1-CB 3.48Å; Y102-A374 HydrophobicContact CE2-CB 4.06Å; Y102-P375 WeakPolarHBondContact OH-CD 3.3Å; Y102-L431 HydrophobicContact CD2-CB 3.73Å; Y102-L431 HydrophobicContact CE2-CB 4.44Å; Y102-L431 HydrophobicContact CG-CB 3.94Å; Y102-L431 HydrophobicContact CG-CD2 4.36Å; Y102-Y441 HydrophobicContact CD2-CD2 4.34Å
103R93.3Very high88.3Confident117 Ų11755.4 Ų55.444%0.44229%0.293SS..Hα-helixtrans-59.3-46.4176.9-70.7169.1-160.6151.95.5111.6E96 L99 I101 S106 I107E96-R103 IonicContact OE1-CZ 3.68Å; E96-R103 IonicContact OE1-NH1 3.12Å; E96-R103 PolarHBondContact OE1-NH1 3.07Å; E96-R103 IonicContact OE1-NH2 3.89Å; E96-R103 PolarHBondContact OE1-NH2 2.76Å; E96-R103 IonicContact OE2-NH2 3.65Å; L99-R103 WeakPolarHBondContact O-CB 3.16Å; L99-R103 WeakPolarHBondContact O-CG 3.14Å; L99-R103 PolarHBondContact O-N 2.96Å; I101-R103 VanDerWaalsContact C-N 3.34Å; I101-R103 PolarHBondContact O-N 3.48Å; R103-S106 PolarHBondContact O-OG 3.21Å; R103-I107 WeakPolarHBondContact O-CB 3.19Å; R103-I107 VanDerWaalsContact O-CD1 3.3Å; R103-I107 WeakPolarHBondContact O-CD1 3.31Å; R103-I107 WeakPolarHBondContact O-CG1 3.29Å; R103-I107 PolarHBondContact O-N 3Å
104T89.6Confident87Confident54 Ų5457.5 Ų57.533%0.33130%0.301SS..Hα-helixtrans-66.5-47.3-176.9-57.30000111.6S100 I101 Y102 I107 A108 F118S100-T104 VanDerWaalsContact O-CB 3.31Å; S100-T104 WeakPolarHBondContact O-CB 3.18Å; S100-T104 PolarHBondContact O-N 3.37Å; S100-T104 PolarHBondContact O-OG1 3.02Å; I101-T104 PolarHBondContact O-N 3.16Å; I101-T104 VanDerWaalsContact O-N 3.13Å; Y102-T104 PolarHBondContact O-N 2.77Å; T104-I107 PolarHBondContact O-N 2.81Å; T104-A108 PolarHBondContact O-N 2.66Å; T104-F118 HydrophobicContact CG2-CD1 3.6Å; T104-F118 HydrophobicContact CG2-CD2 4.13Å; T104-F118 HydrophobicContact CG2-CE1 3.52Å; T104-F118 HydrophobicContact CG2-CE2 4.09Å; T104-F118 HydrophobicContact CG2-CG 3.92Å; T104-F118 HydrophobicContact CG2-CZ 3.78Å
105Y87.4Confident85.4Confident19 Ų1957.2 Ų57.28%0.07530%0.301CS..Hα-helixtrans-75.2-40.9-173.4-75.5-123.9000111.4I101 I107 A108 E109 A115 F118 S121 Y441I101-Y105 HydrophobicContact CG2-CD2 4.02Å; I101-Y105 HydrophobicContact CG2-CE2 4.1Å; I101-Y105 WeakPolarHBondContact O-CD2 3.34Å; I101-Y105 PolarHBondContact O-N 3.32Å; Y105-I107 VanDerWaalsContact C-N 3.26Å; Y105-I107 PolarHBondContact O-N 2.93Å; Y105-A108 PolarHBondContact O-N 2.82Å; Y105-A108 VanDerWaalsContact O-N 3.15Å; Y105-E109 VanDerWaalsContact O-CB 3.31Å; Y105-E109 WeakPolarHBondContact O-CB 3.45Å; Y105-E109 PolarHBondContact O-N 3.05Å; Y105-A115 HydrophobicContact CD1-CB 3.8Å; Y105-A115 HydrophobicContact CE1-CB 4.17Å; Y105-A115 HydrophobicContact CG-CB 4.38Å; Y105-F118 HydrophobicContact CE2-CB 4.35Å; Y105-S121 PolarHBondContact OH-OG 3.37Å; Y105-Y441 WeakPolarHBondContact CB-OH 3.45Å; Y105-Y441 HydrophobicContact CD1-CE1 4.22Å; Y105-Y441 AromaticContact CD1-CZ 3.93Å; Y105-Y441 HydrophobicContact CG-CE2 4.46Å
106S88.5Confident83.6Confident8 Ų860.6 Ų60.66%0.05633%0.326CS..Hα-helixtrans-67.8-23.5175.664.70000113.6Y102 R103 K110Y102-S106 VanDerWaalsContact O-CB 3.24Å; Y102-S106 WeakPolarHBondContact O-CB 3.45Å; Y102-S106 PolarHBondContact O-N 3.09Å; Y102-S106 PolarHBondContact O-OG 3.38Å; R103-S106 PolarHBondContact O-OG 3.21Å; S106-K110 WeakPolarHBondContact O-CD 3.45Å; S106-K110 WeakPolarHBondContact O-CG 3.42Å; S106-K110 PolarHBondContact O-N 3.47Å
107I87.6Confident81.5Confident100 Ų10064.1 Ų64.151%0.51334%0.34SS..Hα-helixtrans-75.1-45168.6-72.5168000110.7R103 T104 Y105 E109 K110 L111R103-I107 WeakPolarHBondContact O-CB 3.19Å; R103-I107 VanDerWaalsContact O-CD1 3.3Å; R103-I107 WeakPolarHBondContact O-CD1 3.31Å; R103-I107 WeakPolarHBondContact O-CG1 3.29Å; R103-I107 PolarHBondContact O-N 3Å; T104-I107 PolarHBondContact O-N 2.81Å; Y105-I107 VanDerWaalsContact C-N 3.26Å; Y105-I107 PolarHBondContact O-N 2.93Å; I107-E109 PolarHBondContact O-N 3.08Å; I107-K110 PolarHBondContact O-N 2.82Å; I107-L111 HydrophobicContact CG2-CD1 3.86Å; I107-L111 HydrophobicContact CG2-CG 4.5Å; I107-L111 WeakPolarHBondContact O-CG 3.22Å; I107-L111 PolarHBondContact O-N 3.4Å
108A83.9Confident79.8Confident4 Ų465.9 Ų65.93%0.03335%0.349CS..Hα-helixtrans-60-44.8178.100000112.3T104 Y105 L111 G112 I113 A115 F118T104-A108 PolarHBondContact O-N 2.66Å; Y105-A108 PolarHBondContact O-N 2.82Å; Y105-A108 VanDerWaalsContact O-N 3.15Å; A108-L111 CarbonylContact O-C 3.49Å; A108-L111 PolarHBondContact O-N 2.68Å; A108-L111 VanDerWaalsContact O-N 3.13Å; A108-G112 PolarHBondContact O-N 2.67Å; A108-G112 VanDerWaalsContact O-N 3.13Å; A108-I113 PolarHBondContact O-N 2.69Å; A108-A115 HydrophobicContact CB-CB 4.25Å; A108-F118 HydrophobicContact CB-CE2 3.73Å
109E81.8Confident77.7Confident43 Ų4375.1 Ų75.120%0.20139%0.393CS..Hα-helixtrans-53.7-51.4172.8-178.8-179.89000111.7Y105 I107 L111 G112 I428 S429 Q443Y105-E109 VanDerWaalsContact O-CB 3.31Å; Y105-E109 WeakPolarHBondContact O-CB 3.45Å; Y105-E109 PolarHBondContact O-N 3.05Å; I107-E109 PolarHBondContact O-N 3.08Å; E109-L111 PolarHBondContact O-N 2.88Å; E109-G112 PolarHBondContact O-N 3.28Å; E109-I428 WeakPolarHBondContact OE1-CA 3.45Å; E109-S429 PolarHBondContact OE1-N 3.36Å; E109-S429 PolarHBondContact OE1-OG 3.27Å; E109-S429 PolarHBondContact OE2-N 2.85Å; E109-S429 PolarHBondContact OE2-OG 2.78Å; E109-Q443 PolarHBondContact OE2-NE2 3.21Å
110K81.6Confident75.6Confident165 Ų16576.1 Ų76.172%0.71740%0.402SS*.Hα-helixtrans-65.7-21.4177.8-73.2171.2-173.7175.70114.3S106 I107S106-K110 WeakPolarHBondContact O-CD 3.45Å; S106-K110 WeakPolarHBondContact O-CG 3.42Å; S106-K110 PolarHBondContact O-N 3.47Å; I107-K110 PolarHBondContact O-N 2.82Å
111L84.3Confident73.9Confident120 Ų12074.6 Ų74.663%0.62839%0.391SS*.THydrogen-bonded Turntrans-92.7-2175.1-66.8173.3000113.1I107 A108 E109 I113I107-L111 HydrophobicContact CG2-CD1 3.86Å; I107-L111 HydrophobicContact CG2-CG 4.5Å; I107-L111 WeakPolarHBondContact O-CG 3.22Å; I107-L111 PolarHBondContact O-N 3.4Å; A108-L111 CarbonylContact O-C 3.49Å; A108-L111 PolarHBondContact O-N 2.68Å; A108-L111 VanDerWaalsContact O-N 3.13Å; E109-L111 PolarHBondContact O-N 2.88Å; L111-I113 HydrophobicContact CB-CD1 3.81Å; L111-I113 HydrophobicContact CB-CG1 3.88Å; L111-I113 HydrophobicContact CD1-CD1 4.04Å; L111-I113 PolarHBondContact O-N 2.87Å
112G72.6Confident72.4Confident71 Ų7180 Ų8073%0.73242%0.415SS*.THydrogen-bonded Turntrans66.419.4-174.400000113.7A108 E109A108-G112 PolarHBondContact O-N 2.67Å; A108-G112 VanDerWaalsContact O-N 3.13Å; E109-G112 PolarHBondContact O-N 3.28Å
113I75.8Confident71.4Confident87 Ų8781.6 Ų81.645%0.44643%0.431SS..  trans-90.6125.2-179.9-60.7173.3000108.4A108 L111 A115A108-I113 PolarHBondContact O-N 2.69Å; L111-I113 HydrophobicContact CB-CD1 3.81Å; L111-I113 HydrophobicContact CB-CG1 3.88Å; L111-I113 HydrophobicContact CD1-CD1 4.04Å; L111-I113 PolarHBondContact O-N 2.87Å; I113-A115 PolarHBondContact O-N 2.77Å
114N62Low71Confident130 Ų13076.7 Ų76.770%0.69542%0.415SS*.  trans-57.4108175-75.5-18.1000110.6S116 F117N114-S116 PolarHBondContact O-N 3.46Å; N114-F117 PolarHBondContact O-N 3.42Å
115A57.5Low70.9Confident19 Ų1975.9 Ų75.916%0.15741%0.409CS..G310 helixtrans-61.3-13.1-176.800000113.8Y105 A108 I113 F117 F118Y105-A115 HydrophobicContact CD1-CB 3.8Å; Y105-A115 HydrophobicContact CE1-CB 4.17Å; Y105-A115 HydrophobicContact CG-CB 4.38Å; A108-A115 HydrophobicContact CB-CB 4.25Å; I113-A115 PolarHBondContact O-N 2.77Å; A115-F117 PolarHBondContact O-N 3.45Å; A115-F118 WeakPolarHBondContact O-CD2 3.42Å; A115-F118 PolarHBondContact O-N 2.82Å
116S55.6Low71.1Confident85 Ų8575.1 Ų75.159%0.59441%0.406SS*.G310 helixtrans-57.6-10.7167.560.40000114.7N114 F118N114-S116 PolarHBondContact O-N 3.46Å; S116-F118 VanDerWaalsContact C-N 3.32Å
117F49.6Very low71.3Confident165 Ų16574.7 Ų74.772%0.72440%0.403SS*.G310 helixtrans-72.6-21.9171.5-167.2-100.2000113.2N114 A115 Q119N114-F117 PolarHBondContact O-N 3.42Å; A115-F117 PolarHBondContact O-N 3.45Å; F117-Q119 PolarHBondContact O-N 3.38Å
118F56.7Low71.6Confident82 Ų8270.4 Ų70.436%0.3638%0.381SS..SBendtrans-80.3105.3177.6-64.2-79.2000110.1T104 Y105 A108 A115 S116 S120T104-F118 HydrophobicContact CG2-CD1 3.6Å; T104-F118 HydrophobicContact CG2-CD2 4.13Å; T104-F118 HydrophobicContact CG2-CE1 3.52Å; T104-F118 HydrophobicContact CG2-CE2 4.09Å; T104-F118 HydrophobicContact CG2-CG 3.92Å; T104-F118 HydrophobicContact CG2-CZ 3.78Å; Y105-F118 HydrophobicContact CE2-CB 4.35Å; A108-F118 HydrophobicContact CB-CE2 3.73Å; A115-F118 WeakPolarHBondContact O-CD2 3.42Å; A115-F118 PolarHBondContact O-N 2.82Å; S116-F118 VanDerWaalsContact C-N 3.32Å; F118-S120 PolarHBondContact O-N 3.47Å
119Q50.7Low72.2Confident195 Ų19570.3 Ų70.391%0.91138%0.381SS*.THydrogen-bonded Turntrans-73.287.4-162.4-63.4177.9-67.500115F117F117-Q119 PolarHBondContact O-N 3.38Å
120S51.3Low72.8Confident56 Ų5668.3 Ų68.339%0.39237%0.371SS..THydrogen-bonded Turntrans-163.1-30.513668.60000112.5F118 K122 E165F118-S120 PolarHBondContact O-N 3.47Å; S120-K122 PolarHBondContact O-N 3.13Å; S120-E165 VanDerWaalsContact CB-OE1 3.28Å; S120-E165 WeakPolarHBondContact CB-OE1 3.39Å; S120-E165 PolarHBondContact OG-OE1 2.99Å
121S56.7Low73.3Confident8 Ų863.4 Ų63.46%0.05636%0.355CS..  trans-75.899.4-178.562.10000113.3Y105 S123Y105-S121 PolarHBondContact OH-OG 3.37Å; S121-S123 VanDerWaalsContact C-N 3.31Å; S121-S123 PolarHBondContact O-N 3.08Å
122K60.9Low73.6Confident121 Ų12158.3 Ų58.353%0.52633%0.329SS..SBendtrans-74.972-177.2-34.6156.3-165.61470112S120 V162S120-K122 PolarHBondContact O-N 3.13Å; K122-V162 HydrophobicContact CB-CG1 3.56Å; K122-V162 HydrophobicContact CD-CG1 4.29Å; K122-V162 HydrophobicContact CG-CG1 4.1Å; K122-V162 PolarHBondContact NZ-O 2.83Å; K122-V162 WeakPolarHBondContact O-CG1 3.33Å
123S72.1Confident74.2Confident65 Ų6561.7 Ų61.746%0.45532%0.319SS..SBendtrans65.529.5-174.174.70000115.9S121 R283S121-S123 VanDerWaalsContact C-N 3.31Å; S121-S123 PolarHBondContact O-N 3.08Å; S123-R283 PolarHBondContact OG-NH1 2.71Å
124A85.6Confident74Confident14 Ų1458.1 Ų58.112%0.11630%0.303CS..  trans-71.8138.3170.900000110.9V162 F281 T282A124-V162 HydrophobicContact CB-CB 4.22Å; A124-V162 HydrophobicContact CB-CG1 4.26Å; A124-V162 HydrophobicContact CB-CG2 4.17Å; A124-F281 HydrophobicContact CB-CB 3.85Å; A124-T282 WeakPolarHBondContact CA-O 3.28Å; A124-T282 WeakPolarHBondContact CB-O 3.43Å
125N87.3Confident74.4Confident36 Ų3659.6 Ų59.619%0.19331%0.311CS..SBendtrans-111.1-8.1174.465.8-1.1000112.9T282 S284 K442 Q443N125-T282 PolarHBondContact N-O 3.44Å; N125-T282 VanDerWaalsContact N-O 3.15Å; N125-T282 PolarHBondContact OD1-O 3.21Å; N125-S284 PolarHBondContact ND2-O 3.34Å; N125-S284 PolarHBondContact OD1-N 3.24Å; N125-K442 WeakPolarHBondContact O-CA 3.19Å; N125-Q443 PolarHBondContact O-N 3.06Å
126T90.6Very high74.7Confident3 Ų359.9 Ų59.92%0.01831%0.31CS..EExtended strand (participates in β ladder)trans-132.2135.2178.2-51.40000108.2T282 V440 Y441 K442T126-T282 WeakPolarHBondContact CB-OG1 3.31Å; T126-T282 PolarHBondContact N-O 3.42Å; T126-T282 VanDerWaalsContact N-O 3.14Å; T126-T282 PolarHBondContact O-N 2.88Å; T126-T282 VanDerWaalsContact O-O 3.06Å; T126-V440 HydrophobicContact CG2-CG1 3.94Å; T126-Y441 CarbonylContact C-O 3.6Å; T126-Y441 WeakPolarHBondContact CA-O 3.4Å; T126-K442 HydrophobicContact CG2-CD 3.97Å; T126-K442 HydrophobicContact CG2-CG 4.37Å; T126-K442 WeakPolarHBondContact OG1-CD 3.35Å; T126-K442 VanDerWaalsContact OG1-CE 3.3Å; T126-K442 WeakPolarHBondContact OG1-CE 3.37Å
127I93.3Very high74.8Confident0 Ų060.7 Ų60.70%031%0.307CS..EExtended strand (participates in β ladder)trans-138113-178.8-53.1173.6000108.1M98 I101 V279 V280 F281 V440 Y441M98-I127 HydrophobicContact CE-CG2 4.16Å; M98-I127 WeakPolarHBondContact CE-O 3.49Å; I101-I127 HydrophobicContact CD1-CG2 4.27Å; I101-I127 HydrophobicContact CG2-CD1 3.91Å; I127-V279 HydrophobicContact CG2-CG1 3.44Å; I127-V279 VanDerWaalsContact CG2-CG1 3.44Å; I127-V280 WeakPolarHBondContact CA-O 3.42Å; I127-F281 HydrophobicContact CB-CD1 4.46Å; I127-F281 HydrophobicContact CD1-CD1 3.71Å; I127-F281 HydrophobicContact CD1-CE1 3.81Å; I127-F281 HydrophobicContact CG1-CD1 3.72Å; I127-F281 HydrophobicContact CG1-CE1 4.23Å; I127-F281 HydrophobicContact CG2-CD1 3.97Å; I127-F281 HydrophobicContact CG2-CE1 4.01Å; I127-F281 HydrophobicContact CG2-CG 4.45Å; I127-V440 WeakPolarHBondContact O-CA 3.39Å; I127-Y441 HydrophobicContact CB-CD1 4.11Å; I127-Y441 HydrophobicContact CD1-CD1 3.81Å; I127-Y441 HydrophobicContact CD1-CE1 4.21Å; I127-Y441 HydrophobicContact CG1-CD1 3.91Å; I127-Y441 PolarHBondContact N-O 3Å; I127-Y441 PolarHBondContact O-N 2.95Å
128T94.2Very high75.1Confident9 Ų959.4 Ų59.46%0.05531%0.307CS..EExtended strand (participates in β ladder)trans-111.5132.6-175.9-57.20000110.6F130 V280 N438 V440T128-F130 HydrophobicContact CG2-CD2 4.34Å; T128-F130 HydrophobicContact CG2-CE1 3.84Å; T128-F130 HydrophobicContact CG2-CE2 3.62Å; T128-F130 HydrophobicContact CG2-CZ 3.32Å; T128-V280 PolarHBondContact N-O 2.87Å; T128-V280 PolarHBondContact O-N 3.26Å; T128-N438 HydrophobicContact CG2-CB 3.95Å; T128-V440 HydrophobicContact CG2-CG2 3.97Å
129S95.1Very high75Confident3 Ų359.1 Ų59.12%0.02132%0.315CS..EExtended strand (participates in β ladder)trans-109.9120.6178.677.50000112.8M98 L278 N438 V439M98-S129 WeakPolarHBondContact CG-OG 3.41Å; S129-L278 CarbonylContact C-O 3.54Å; S129-L278 WeakPolarHBondContact CA-O 3.45Å; S129-N438 WeakPolarHBondContact O-CB 3.11Å; S129-V439 PolarHBondContact N-O 3.47Å; S129-V439 PolarHBondContact OG-O 3.34Å
130F94.3Very high75.2Confident1 Ų156.2 Ų56.20%0.00430%0.301CS..EExtended strand (participates in β ladder)trans-103130.5177.8-53.9-86000109.8T128 F150 D151 V152 M154 L155 L278 V280 N438T128-F130 HydrophobicContact CG2-CD2 4.34Å; T128-F130 HydrophobicContact CG2-CE1 3.84Å; T128-F130 HydrophobicContact CG2-CE2 3.62Å; T128-F130 HydrophobicContact CG2-CZ 3.32Å; F130-F150 HydrophobicContact CB-CB 4.24Å; F130-F150 HydrophobicContact CB-CD1 4.04Å; F130-F150 WeakPolarHBondContact O-CD1 3.46Å; F130-F150 WeakPolarHBondContact O-CE1 3.39Å; F130-D151 WeakPolarHBondContact CD1-O 3.49Å; F130-D151 WeakPolarHBondContact CE1-O 3.49Å; F130-V152 HydrophobicContact CD1-CG1 4.31Å; F130-V152 HydrophobicContact CD2-CG1 4.06Å; F130-V152 HydrophobicContact CE1-CG1 4.45Å; F130-V152 HydrophobicContact CE2-CG1 4.21Å; F130-V152 HydrophobicContact CG-CG1 4.12Å; F130-V152 HydrophobicContact CZ-CG1 4.4Å; F130-M154 HydrophobicContact CE1-CB 4.48Å; F130-L155 HydrophobicContact CE2-CD1 4.29Å; F130-L155 HydrophobicContact CE2-CD2 3.91Å; F130-L155 HydrophobicContact CE2-CG 4.09Å; F130-L155 HydrophobicContact CZ-CD1 4.3Å; F130-L155 HydrophobicContact CZ-CD2 3.65Å; F130-L155 HydrophobicContact CZ-CG 3.67Å; F130-L278 HydrophobicContact CB-CB 4.28Å; F130-L278 HydrophobicContact CB-CD2 4.37Å; F130-L278 HydrophobicContact CD2-CD2 4.08Å; F130-L278 HydrophobicContact CD2-CG 4.33Å; F130-L278 PolarHBondContact N-O 2.78Å; F130-L278 PolarHBondContact O-N 2.87Å; F130-V280 HydrophobicContact CD2-CG2 3.88Å; F130-V280 HydrophobicContact CE2-CB 4.08Å; F130-V280 HydrophobicContact CE2-CG2 3.65Å; F130-N438 HydrophobicContact CD1-CB 4.37Å; F130-N438 WeakPolarHBondContact CD1-OD1 3.03Å; F130-N438 HydrophobicContact CE1-CB 4.42Å
131V92.4Very high75.6Confident61 Ų6159.2 Ų59.237%0.3732%0.318SS..EExtended strand (participates in β ladder)trans-93135.5178-177.50000109.9R133 R275 L277V131-R133 PolarHBondContact O-N 2.74Å; V131-R275 HydrophobicContact CG1-CB 3.82Å; V131-R275 HydrophobicContact CG1-CG 4.41Å; V131-L277 HydrophobicContact CG2-CD1 3.91Å
132D91.6Very high76.2Confident14 Ų1461.6 Ų61.68%0.07533%0.333CS..PPolyproline II helixtrans-58.6128.9177.5171.239.8000112.3G134 Y148 L149 F150 R267 A276D132-G134 PolarHBondContact OD1-N 2.97Å; D132-Y148 HydrophobicContact CB-CD1 4.31Å; D132-Y148 WeakPolarHBondContact OD1-CA 3.26Å; D132-Y148 VanDerWaalsContact OD2-CD1 3.3Å; D132-Y148 WeakPolarHBondContact OD2-CD1 3.08Å; D132-L149 PolarHBondContact OD1-N 2.91Å; D132-F150 HydrophobicContact CB-CD1 4.42Å; D132-F150 HydrophobicContact CB-CE1 3.7Å; D132-F150 HydrophobicContact CB-CZ 3.93Å; D132-R267 IonicContact OD1-NH1 2.67Å; D132-R267 PolarHBondContact OD1-NH1 2.81Å; D132-R267 IonicContact OD2-CZ 3.96Å; D132-R267 IonicContact OD2-NE 3.55Å; D132-R267 IonicContact OD2-NH1 3.28Å; D132-R267 PolarHBondContact OD2-NH1 3.35Å; D132-R267 IonicContact OD2-NH2 2.74Å; D132-A276 HydrophobicContact CB-CB 3.78Å; D132-A276 WeakPolarHBondContact CB-O 3.3Å; D132-A276 PolarHBondContact N-O 3.33Å
133R84.3Confident77Confident142 Ų14256.6 Ų56.654%0.53631%0.312SS..  trans-100-4.3177.4-61.3-171.4-177163.38113.4V131 L149 D151V131-R133 PolarHBondContact O-N 2.74Å; R133-L149 PolarHBondContact N-O 3.05Å; R133-D151 IonicContact CZ-OD2 2.72Å; R133-D151 VanDerWaalsContact NH1-CB 3.32Å; R133-D151 IonicContact NH1-OD2 2.67Å; R133-D151 PolarHBondContact NH1-OD2 2.77Å; R133-D151 IonicContact NH2-OD2 2.9Å; R133-D151 PolarHBondContact NH2-OD2 2.03Å
134G72.5Confident77.3Confident11 Ų1158.1 Ų58.111%0.11331%0.308CS..  trans-70.3151.5-178.300000113.6D132 R267D132-G134 PolarHBondContact OD1-N 2.97Å; G134-R267 VanDerWaalsContact CA-NH1 3.3Å; G134-R267 PolarHBondContact O-NH1 3.04Å
135L69.2Low77.1Confident162 Ų16263.5 Ų63.585%0.84833%0.325SS*.  trans-107.7148.5173.4-61.3174.9000110D137L135-D137 PolarHBondContact O-N 3.18Å
136D64Low77.1Confident25 Ų2562 Ų6213%0.13432%0.317CS..  trans-67121.3166.7-80.6-15000108.3L138 Q146 R267D136-L138 PolarHBondContact O-N 3.35Å; D136-Q146 PolarHBondContact OD1-NE2 2.98Å; D136-R267 WeakPolarHBondContact OD1-CD 3.46Å; D136-R267 VanDerWaalsContact OD1-CG 3.31Å; D136-R267 WeakPolarHBondContact OD1-CG 3.26Å; D136-R267 IonicContact OD1-NE 3.92Å; D136-R267 PolarHBondContact OD1-NE 3.38Å; D136-R267 WeakPolarHBondContact OD2-CB 3.37Å; D136-R267 PolarHBondContact OD2-N 3.07Å
137D58Low77Confident101 Ų10167.3 Ų67.354%0.5434%0.339SS..  trans-62.2124.3171.3-171.7-19.8000109.4L135 S139L135-D137 PolarHBondContact O-N 3.18Å; D137-S139 VanDerWaalsContact C-N 3.34Å; D137-S139 VanDerWaalsContact CG-OG 3.25Å; D137-S139 WeakPolarHBondContact OD1-CB 2.98Å; D137-S139 PolarHBondContact OD1-N 2.8Å; D137-S139 PolarHBondContact OD1-OG 2.78Å; D137-S139 PolarHBondContact OD2-OG 3.37Å
138L56.3Low76.9Confident139 Ų13967.5 Ų67.573%0.72834%0.34SS*.SBendtrans-82.8-11.8-175.1-63.3176.3000113.2D136D136-L138 PolarHBondContact O-N 3.35Å
139S55.4Low76.8Confident76 Ų7670.4 Ų70.453%0.53136%0.355SS..SBendtrans-82.5-27.4-168.963.80000115D137D137-S139 VanDerWaalsContact C-N 3.34Å; D137-S139 VanDerWaalsContact CG-OG 3.25Å; D137-S139 WeakPolarHBondContact OD1-CB 2.98Å; D137-S139 PolarHBondContact OD1-N 2.8Å; D137-S139 PolarHBondContact OD1-OG 2.78Å; D137-S139 PolarHBondContact OD2-OG 3.37Å
140H54.9Low76.7Confident134 Ų13470.3 Ų70.362%0.6235%0.354SS*.  trans-120.393.6-168.6-70-57.1000113.7P142H140-P142 CarbonylContact O-C 3.33Å
141T59.2Low76.6Confident119 Ų11971.9 Ų71.973%0.7336%0.362SS*.SBendtrans-82.2129.7155.148.70000109.9
142P69.2Low76.5Confident58 Ų5869 Ų6938%0.37735%0.345SS..SBendcis-85.9151.6-3.134.2-35.3000113.6H140 R144 D259H140-P142 CarbonylContact O-C 3.33Å; P142-R144 HydrophobicContact CG-CG 4.33Å; P142-R144 PolarHBondContact O-N 2.68Å; P142-D259 WeakPolarHBondContact CA-OD2 3.08Å; P142-D259 HydrophobicContact CB-CB 4.03Å; P142-D259 VanDerWaalsContact CB-OD2 3.32Å; P142-D259 WeakPolarHBondContact CB-OD2 3.46Å
143L76.4Confident76.4Confident15 Ų1571.5 Ų71.58%0.07936%0.363CS..  trans-76.488.5177.1-168.771.7000111R145 Q146 D259 L260 R261L143-R145 WeakPolarHBondContact CD1-O 3.3Å; L143-Q146 HydrophobicContact CD2-CB 4.04Å; L143-Q146 HydrophobicContact CD2-CG 3.89Å; L143-Q146 HydrophobicContact CG-CB 4.49Å; L143-D259 WeakPolarHBondContact CB-OD1 3.14Å; L143-D259 VanDerWaalsContact N-CG 3.32Å; L143-D259 PolarHBondContact N-OD2 2.77Å; L143-L260 WeakPolarHBondContact O-CG 3.46Å; L143-L260 PolarHBondContact O-N 3.11Å; L143-L260 VanDerWaalsContact O-N 3.12Å; L143-R261 HydrophobicContact CB-CG 3.96Å; L143-R261 HydrophobicContact CD2-CG 3.64Å; L143-R261 HydrophobicContact CG-CG 4.45Å
144R78.4Confident76.6Confident98 Ų9868.4 Ų68.437%0.3736%0.356SS..  trans-75.2-27-179.6-65.2-72.4170.5-179.3-21.3114.4P142 P257P142-R144 HydrophobicContact CG-CG 4.33Å; P142-R144 PolarHBondContact O-N 2.68Å; R144-P257 VanDerWaalsContact NH1-CD 3.31Å; R144-P257 PolarHBondContact NH1-O 2.82Å; R144-P257 PolarHBondContact NH2-O 3.32Å; R144-P257 VanDerWaalsContact NH2-O 3.16Å
145R82.9Confident77.3Confident127 Ų12768.3 Ų68.348%0.47935%0.353SS..EExtended strand (participates in β ladder)trans-143.4137.2-172.7-61.1-179.7178.1-167.15.4107.6L143 E232 L233 R234L143-R145 WeakPolarHBondContact CD1-O 3.3Å; R145-E232 HydrophobicContact CB-CG 4.08Å; R145-E232 WeakPolarHBondContact CD-OE1 3.48Å; R145-E232 IonicContact NH1-OE1 2.9Å; R145-L233 WeakPolarHBondContact CA-O 3.4Å; R145-R234 HydrophobicContact CG-CG 4.28Å
146Q87.1Confident78Confident5 Ų562.3 Ų62.32%0.02333%0.325CS..EExtended strand (participates in β ladder)trans-134.8124.9-178.2-168.2177.619.200110.2D136 L143 Y148 E232 L233 L260 F265D136-Q146 PolarHBondContact OD1-NE2 2.98Å; L143-Q146 HydrophobicContact CD2-CB 4.04Å; L143-Q146 HydrophobicContact CD2-CG 3.89Å; L143-Q146 HydrophobicContact CG-CB 4.49Å; Q146-Y148 HydrophobicContact CB-CE2 4.39Å; Q146-Y148 HydrophobicContact CG-CE2 4.18Å; Q146-Y148 PolarHBondContact OE1-OH 2.82Å; Q146-Y148 VanDerWaalsContact OE1-OH 3.13Å; Q146-E232 WeakPolarHBondContact O-CA 3.48Å; Q146-L233 PolarHBondContact N-O 3.28Å; Q146-L233 VanDerWaalsContact N-O 3.08Å; Q146-L233 PolarHBondContact O-N 3.18Å; Q146-L260 HydrophobicContact CB-CD1 3.64Å; Q146-F265 PolarHBondContact NE2-O 3.37Å; Q146-F265 PolarHBondContact OE1-O 2.92Å
147K88.9Confident78.7Confident113 Ų11366.1 Ų66.149%0.49135%0.345SS..EExtended strand (participates in β ladder)trans-102.4120.1-171.4-66.8-179.9179.11780111.5L231 E232 R267K147-L231 CarbonylContact C-O 3.54Å; K147-L231 WeakPolarHBondContact CA-O 3.36Å; K147-E232 WeakPolarHBondContact CE-OE2 3.4Å; K147-E232 HydrophobicContact CG-CB 4.37Å; K147-E232 HydrophobicContact CG-CG 4.12Å; K147-E232 IonicContact NZ-OE2 3.7Å; K147-R267 VanDerWaalsContact C-NH2 3.31Å; K147-R267 PolarHBondContact O-NH1 3.25Å; K147-R267 PolarHBondContact O-NH2 3.37Å
148Y91.3Very high79.8Confident5 Ų569.3 Ų69.32%0.0235%0.354CS..EExtended strand (participates in β ladder)trans-97.8134.4175-62.9-90.8000109D132 Q146 L168 C230 L231 L233 A276D132-Y148 HydrophobicContact CB-CD1 4.31Å; D132-Y148 WeakPolarHBondContact OD1-CA 3.26Å; D132-Y148 VanDerWaalsContact OD2-CD1 3.3Å; D132-Y148 WeakPolarHBondContact OD2-CD1 3.08Å; Q146-Y148 HydrophobicContact CB-CE2 4.39Å; Q146-Y148 HydrophobicContact CG-CE2 4.18Å; Q146-Y148 PolarHBondContact OE1-OH 2.82Å; Q146-Y148 VanDerWaalsContact OE1-OH 3.13Å; Y148-L168 HydrophobicContact CD1-CD2 3.93Å; Y148-L168 HydrophobicContact CD2-CD2 4.49Å; Y148-L168 HydrophobicContact CE1-CD2 3.59Å; Y148-L168 HydrophobicContact CE2-CD1 4.05Å; Y148-L168 HydrophobicContact CE2-CD2 4.18Å; Y148-L168 HydrophobicContact CG-CD2 4.37Å; Y148-C230 WeakPolarHBondContact O-CA 3.44Å; Y148-L231 PolarHBondContact N-O 3.21Å; Y148-L231 PolarHBondContact O-N 3.07Å; Y148-L233 HydrophobicContact CD2-CB 4.47Å; Y148-L233 HydrophobicContact CE2-CB 3.89Å; Y148-L233 HydrophobicContact CE2-CD2 4.2Å; Y148-A276 HydrophobicContact CD1-CB 3.39Å; Y148-A276 HydrophobicContact CE1-CB 3.5Å
149L91.6Very high81.1Confident69 Ų6963.7 Ų63.736%0.36132%0.324SS..EExtended strand (participates in β ladder)trans-127.6113.7-170.8-72.6171.2000110.2D132 R133 C230D132-L149 PolarHBondContact OD1-N 2.91Å; R133-L149 PolarHBondContact N-O 3.05Å; L149-C230 HydrophobicContact CD2-CB 3.72Å; L149-C230 VanDerWaalsContact CD2-SG 3.51Å
150F92.9Very high82.7Confident2 Ų264.7 Ų64.71%0.00932%0.321CS..EExtended strand (participates in β ladder)trans-115.7132.5179.6-55.1-83.3000110.3F130 D132 V152 L166 Q228 L229 L231 A276 L278F130-F150 HydrophobicContact CB-CB 4.24Å; F130-F150 HydrophobicContact CB-CD1 4.04Å; F130-F150 WeakPolarHBondContact O-CD1 3.46Å; F130-F150 WeakPolarHBondContact O-CE1 3.39Å; D132-F150 HydrophobicContact CB-CD1 4.42Å; D132-F150 HydrophobicContact CB-CE1 3.7Å; D132-F150 HydrophobicContact CB-CZ 3.93Å; F150-V152 HydrophobicContact CB-CG1 4.17Å; F150-L166 HydrophobicContact CE1-CD1 4.47Å; F150-L166 HydrophobicContact CE2-CD1 3.69Å; F150-L166 HydrophobicContact CZ-CD1 3.42Å; F150-L166 VanDerWaalsContact CZ-CD1 3.42Å; F150-Q228 CarbonylContact O-C 3.55Å; F150-Q228 VanDerWaalsContact O-CA 3.27Å; F150-Q228 WeakPolarHBondContact O-CA 3.43Å; F150-L229 HydrophobicContact CB-CB 4.39Å; F150-L229 PolarHBondContact N-O 2.85Å; F150-L229 PolarHBondContact O-N 2.88Å; F150-L231 HydrophobicContact CE2-CD1 4.36Å; F150-A276 HydrophobicContact CZ-CB 4.32Å; F150-L278 HydrophobicContact CB-CB 4.5Å; F150-L278 HydrophobicContact CB-CD2 3.68Å; F150-L278 HydrophobicContact CD1-CB 3.49Å; F150-L278 VanDerWaalsContact CD1-CB 3.49Å; F150-L278 HydrophobicContact CD1-CD2 4.26Å; F150-L278 HydrophobicContact CD2-CB 4.04Å; F150-L278 HydrophobicContact CD2-CD2 4.04Å; F150-L278 HydrophobicContact CE1-CB 3.57Å; F150-L278 HydrophobicContact CE2-CB 4.12Å; F150-L278 HydrophobicContact CG-CB 3.74Å; F150-L278 HydrophobicContact CG-CD2 3.72Å; F150-L278 HydrophobicContact CG-CG 4.38Å; F150-L278 HydrophobicContact CZ-CB 3.9Å
151D91.2Very high84.3Confident33 Ų3359.5 Ų59.518%0.17630%0.297CS..EExtended strand (participates in β ladder)trans-91.3104.2172.9-174.713.4000108.5F130 R133 S153F130-D151 WeakPolarHBondContact CD1-O 3.49Å; F130-D151 WeakPolarHBondContact CE1-O 3.49Å; R133-D151 IonicContact CZ-OD2 2.72Å; R133-D151 VanDerWaalsContact NH1-CB 3.32Å; R133-D151 IonicContact NH1-OD2 2.67Å; R133-D151 PolarHBondContact NH1-OD2 2.77Å; R133-D151 IonicContact NH2-OD2 2.9Å; R133-D151 PolarHBondContact NH2-OD2 2.03Å; D151-S153 PolarHBondContact OD1-OG 2.92Å
152V91.9Very high85.7Confident1 Ų154.4 Ų54.41%0.00627%0.266CS..  trans-10614.4-171.4-67.20000112F130 F150 M154 L155 L221 W226 K227 L229 L278F130-V152 HydrophobicContact CD1-CG1 4.31Å; F130-V152 HydrophobicContact CD2-CG1 4.06Å; F130-V152 HydrophobicContact CE1-CG1 4.45Å; F130-V152 HydrophobicContact CE2-CG1 4.21Å; F130-V152 HydrophobicContact CG-CG1 4.12Å; F130-V152 HydrophobicContact CZ-CG1 4.4Å; F150-V152 HydrophobicContact CB-CG1 4.17Å; V152-M154 PolarHBondContact O-N 2.94Å; V152-M154 VanDerWaalsContact O-N 3.1Å; V152-L155 HydrophobicContact CB-CD1 4.05Å; V152-L155 HydrophobicContact CB-CG 4.46Å; V152-L155 WeakPolarHBondContact O-CB 3.37Å; V152-L155 PolarHBondContact O-N 3.01Å; V152-L221 HydrophobicContact CG2-CD2 4.3Å; V152-W226 HydrophobicContact CG2-CB 3.98Å; V152-K227 PolarHBondContact N-O 2.94Å; V152-L229 HydrophobicContact CG1-CB 4.38Å; V152-L229 HydrophobicContact CG2-CB 4.48Å; V152-L278 HydrophobicContact CG1-CD2 3.69Å
153S89.2Confident86.8Confident66 Ų6652 Ų5246%0.46225%0.252SS..THydrogen-bonded Turntrans-63.5-14-176.966.70000115D151 L155 K227D151-S153 PolarHBondContact OD1-OG 2.92Å; S153-L155 VanDerWaalsContact C-N 3.34Å; S153-K227 PolarHBondContact N-O 3.35Å
154M87.2Confident87.6Confident77 Ų7751.5 Ų51.538%0.37925%0.249SC..THydrogen-bonded Turntrans-80.8-11174.6-65-58.4-64.100113.4F130 V152 D434 A435F130-M154 HydrophobicContact CE1-CB 4.48Å; V152-M154 PolarHBondContact O-N 2.94Å; V152-M154 VanDerWaalsContact O-N 3.1Å; M154-D434 WeakPolarHBondContact CB-OD2 3.39Å; M154-D434 HydrophobicContact CE-CB 4.17Å; M154-D434 WeakPolarHBondContact CG-OD2 3.26Å; M154-A435 HydrophobicContact CE-CB 4.12Å
155L87.8Confident88.3Confident9 Ų948.1 Ų48.15%0.04724%0.238CC..SBendtrans-72.8126.9173.6-63.2178.5000110.2F130 V152 S153 W226 V280 T282F130-L155 HydrophobicContact CE2-CD1 4.29Å; F130-L155 HydrophobicContact CE2-CD2 3.91Å; F130-L155 HydrophobicContact CE2-CG 4.09Å; F130-L155 HydrophobicContact CZ-CD1 4.3Å; F130-L155 HydrophobicContact CZ-CD2 3.65Å; F130-L155 HydrophobicContact CZ-CG 3.67Å; V152-L155 HydrophobicContact CB-CD1 4.05Å; V152-L155 HydrophobicContact CB-CG 4.46Å; V152-L155 WeakPolarHBondContact O-CB 3.37Å; V152-L155 PolarHBondContact O-N 3.01Å; S153-L155 VanDerWaalsContact C-N 3.34Å; L155-W226 HydrophobicContact CB-CD2 4.15Å; L155-W226 HydrophobicContact CB-CE3 3.33Å; L155-W226 HydrophobicContact CB-CZ3 3.87Å; L155-W226 HydrophobicContact CD1-CD2 4.15Å; L155-W226 HydrophobicContact CD1-CE3 4.05Å; L155-W226 HydrophobicContact CD1-CG 4.41Å; L155-W226 HydrophobicContact CG-CE3 4.34Å; L155-V280 HydrophobicContact CD1-CB 4.47Å; L155-V280 HydrophobicContact CD1-CG1 3.95Å; L155-V280 HydrophobicContact CD1-CG2 4.35Å; L155-V280 HydrophobicContact CD2-CB 4.37Å; L155-V280 HydrophobicContact CD2-CG1 4.15Å; L155-T282 HydrophobicContact CD2-CG2 4.3Å
156S83.2Confident88.9Confident37 Ų3742 Ų4226%0.25922%0.215SC..  trans-89.2133.4-176.3-175.50000112.5K158 E159S156-K158 PolarHBondContact O-N 2.98Å; S156-K158 PolarHBondContact OG-N 2.79Å; S156-E159 WeakPolarHBondContact O-CB 3.47Å; S156-E159 PolarHBondContact O-N 3.42Å
157D79.3Confident89.3Confident105 Ų10543.5 Ų43.556%0.56122%0.22SC*.THydrogen-bonded Turntrans-57.9-9.6172.8-54.8-17.8000114.4E159 Q224D157-E159 VanDerWaalsContact C-N 3.34Å; D157-Q224 PolarHBondContact OD1-NE2 2.78Å; D157-Q224 PolarHBondContact OD1-OE1 3.35Å
158K80.6Confident89.5Confident168 Ų16838.2 Ų38.273%0.7320%0.197SC*.THydrogen-bonded Turntrans-87.8-0.5173.8-60.5175.4-175.2169.20113.2S156S156-K158 PolarHBondContact O-N 2.98Å; S156-K158 PolarHBondContact OG-N 2.79Å
159E85Confident89.4Confident21 Ų2139.3 Ų39.310%0.09820%0.202CC..EExtended strand (participates in β ladder)trans-113.8135.9-175.4-59.6-175.6-168.100111.4S156 D157 T282 K287S156-E159 WeakPolarHBondContact O-CB 3.47Å; S156-E159 PolarHBondContact O-N 3.42Å; D157-E159 VanDerWaalsContact C-N 3.34Å; E159-T282 HydrophobicContact CB-CG2 4.47Å; E159-T282 PolarHBondContact OE2-OG1 2.67Å; E159-K287 IonicContact OE1-NZ 2.78Å; E159-K287 PolarHBondContact OE1-NZ 3.46Å
160E87.8Confident89.3Confident97 Ų9736.4 Ų36.445%0.45319%0.187SC..EExtended strand (participates in β ladder)trans-86.1125.5-176.7-178.7-174.6172.600110.5V162 T282 R283E160-V162 PolarHBondContact O-N 2.73Å; E160-T282 CarbonylContact O-C 3.48Å; E160-T282 VanDerWaalsContact O-CA 3.27Å; E160-T282 WeakPolarHBondContact O-CA 3.36Å; E160-R283 HydrophobicContact CB-CB 4.27Å; E160-R283 PolarHBondContact N-O 3Å; E160-R283 PolarHBondContact O-N 2.8Å; E160-R283 IonicContact OE1-CZ 3.89Å; E160-R283 IonicContact OE1-NE 3.87Å; E160-R283 IonicContact OE1-NH2 3.2Å; E160-R283 PolarHBondContact OE1-NH2 2.91Å; E160-R283 IonicContact OE2-CZ 2.68Å; E160-R283 IonicContact OE2-NE 2.8Å; E160-R283 PolarHBondContact OE2-NE 3.47Å; E160-R283 IonicContact OE2-NH2 2.73Å; E160-R283 PolarHBondContact OE2-NH2 2.83Å
161L88.9Confident89Confident25 Ų2539.5 Ų39.513%0.13120%0.201CC..EExtended strand (participates in β ladder)trans-77.7105.2-179.4178.967.9000111.8W218 L221 W226 V280L161-W218 PolarHBondContact O-NE1 3.22Å; L161-L221 HydrophobicContact CD2-CB 3.57Å; L161-L221 VanDerWaalsContact CD2-O 3.32Å; L161-L221 WeakPolarHBondContact CD2-O 3.46Å; L161-W226 HydrophobicContact CB-CH2 4.1Å; L161-W226 HydrophobicContact CB-CZ2 3.88Å; L161-W226 HydrophobicContact CD2-CZ2 4.24Å; L161-V280 HydrophobicContact CD1-CG1 3.4Å
162V89.6Confident88.6Confident12 Ų1240.5 Ų40.57%0.07321%0.214CC..EExtended strand (participates in β ladder)trans-84.2-37.6-175.9178.40000112.4K122 A124 E160 F281 R283K122-V162 HydrophobicContact CB-CG1 3.56Å; K122-V162 HydrophobicContact CD-CG1 4.29Å; K122-V162 HydrophobicContact CG-CG1 4.1Å; K122-V162 PolarHBondContact NZ-O 2.83Å; K122-V162 WeakPolarHBondContact O-CG1 3.33Å; A124-V162 HydrophobicContact CB-CB 4.22Å; A124-V162 HydrophobicContact CB-CG1 4.26Å; A124-V162 HydrophobicContact CB-CG2 4.17Å; E160-V162 PolarHBondContact O-N 2.73Å; V162-F281 HydrophobicContact CB-CB 4.33Å; V162-F281 WeakPolarHBondContact CB-O 3.4Å; V162-F281 PolarHBondContact N-O 3.32Å; V162-R283 HydrophobicContact CG2-CB 3.79Å
163G90.9Very high87.7Confident8 Ų841.6 Ų41.68%0.08222%0.221CC..EExtended strand (participates in β ladder)trans-173.6162.9-176.100000111.3W218 F281G163-W218 VanDerWaalsContact CA-CD1 3.49Å; G163-F281 PolarHBondContact N-O 2.84Å; G163-F281 PolarHBondContact O-N 2.94Å
164A93.4Very high86.8Confident3 Ų345 Ų453%0.02524%0.244CC..EExtended strand (participates in β ladder)trans-150132.6168.400000110.4V217 W218 L221 V279 V280A164-V217 HydrophobicContact CB-CG2 3.83Å; A164-V217 PolarHBondContact O-N 3.02Å; A164-W218 PolarHBondContact O-N 2.88Å; A164-L221 HydrophobicContact CB-CD1 3.7Å; A164-V279 CarbonylContact C-O 3.58Å; A164-V279 VanDerWaalsContact CA-O 3.29Å; A164-V279 WeakPolarHBondContact CA-O 3.39Å; A164-V280 HydrophobicContact CB-CG2 4.31Å
165E94Very high85.9Confident27 Ų2744.1 Ų44.113%0.12625%0.249CC..EExtended strand (participates in β ladder)trans-114.1128.1178.7-69.9175.9-152.700109.6S120 R167 V214 F215 V279 F281S120-E165 VanDerWaalsContact CB-OE1 3.28Å; S120-E165 WeakPolarHBondContact CB-OE1 3.39Å; S120-E165 PolarHBondContact OG-OE1 2.99Å; E165-R167 IonicContact OE2-CZ 3.9Å; E165-R167 IonicContact OE2-NH1 3.71Å; E165-R167 PolarHBondContact OE2-NH1 2.91Å; E165-V214 HydrophobicContact CB-CG1 4.13Å; E165-V214 HydrophobicContact CG-CG1 4.21Å; E165-F215 CarbonylContact C-O 3.57Å; E165-F215 WeakPolarHBondContact CA-O 3.21Å; E165-V279 PolarHBondContact N-O 2.85Å; E165-V279 PolarHBondContact O-N 2.88Å; E165-F281 HydrophobicContact CB-CE2 4.33Å; E165-F281 HydrophobicContact CG-CE2 3.92Å
166L95.6Very high85.1Confident0 Ų047.7 Ų47.70%027%0.274CS..EExtended strand (participates in β ladder)trans-91.7126.2163176.169.3000108.8F150 L168 L188 V214 F215 V217 L231F150-L166 HydrophobicContact CE1-CD1 4.47Å; F150-L166 HydrophobicContact CE2-CD1 3.69Å; F150-L166 HydrophobicContact CZ-CD1 3.42Å; F150-L166 VanDerWaalsContact CZ-CD1 3.42Å; L166-L168 HydrophobicContact CD1-CD2 3.93Å; L166-L168 HydrophobicContact CD2-CD1 4.08Å; L166-L168 HydrophobicContact CD2-CD2 3.92Å; L166-L168 HydrophobicContact CD2-CG 3.93Å; L166-L168 HydrophobicContact CG-CD2 3.9Å; L166-L168 HydrophobicContact CG-CG 4Å; L166-L188 HydrophobicContact CB-CD2 4.43Å; L166-L188 HydrophobicContact CD2-CD1 3.81Å; L166-L188 HydrophobicContact CD2-CD2 3.62Å; L166-L188 HydrophobicContact CD2-CG 4.39Å; L166-V214 WeakPolarHBondContact O-CA 3.37Å; L166-F215 HydrophobicContact CB-CB 4.41Å; L166-F215 PolarHBondContact N-O 2.83Å; L166-F215 PolarHBondContact O-N 3.37Å; L166-V217 HydrophobicContact CB-CG1 3.69Å; L166-V217 HydrophobicContact CB-CG2 4.2Å; L166-L231 HydrophobicContact CB-CD1 4.41Å; L166-L231 HydrophobicContact CD1-CD1 4.44Å; L166-L231 HydrophobicContact CD2-CD1 3.85Å; L166-L231 HydrophobicContact CG-CD1 4.46Å
167R94.4Very high84.3Confident36 Ų3646.9 Ų46.914%0.13627%0.265CS..EExtended strand (participates in β ladder)trans-112.8115178.5-48.4-175.270.690.90.1108.7Y97 E165 W212 V214 A276 L277Y97-R167 VanDerWaalsContact CE2-CZ 3.48Å; Y97-R167 VanDerWaalsContact CZ-NH1 3.35Å; Y97-R167 PolarHBondContact OH-NH1 2.81Å; E165-R167 IonicContact OE2-CZ 3.9Å; E165-R167 IonicContact OE2-NH1 3.71Å; E165-R167 PolarHBondContact OE2-NH1 2.91Å; R167-W212 HydrophobicContact CB-CE3 3.77Å; R167-W212 HydrophobicContact CB-CZ3 4.12Å; R167-W212 WeakPolarHBondContact O-CZ3 3.43Å; R167-V214 HydrophobicContact CG-CG1 4.39Å; R167-V214 HydrophobicContact CG-CG2 4.3Å; R167-A276 WeakPolarHBondContact O-CA 3.42Å; R167-L277 HydrophobicContact CB-CB 4.47Å; R167-L277 PolarHBondContact N-O 2.93Å; R167-L277 PolarHBondContact O-N 2.84Å
168L93Very high83.5Confident2 Ų244.2 Ų44.21%0.0126%0.262CS..EExtended strand (participates in β ladder)trans-112.9115.4179-61.4-172.4000110Y148 L166 R170 E213 F215 L233 F265 A276Y148-L168 HydrophobicContact CD1-CD2 3.93Å; Y148-L168 HydrophobicContact CD2-CD2 4.49Å; Y148-L168 HydrophobicContact CE1-CD2 3.59Å; Y148-L168 HydrophobicContact CE2-CD1 4.05Å; Y148-L168 HydrophobicContact CE2-CD2 4.18Å; Y148-L168 HydrophobicContact CG-CD2 4.37Å; L166-L168 HydrophobicContact CD1-CD2 3.93Å; L166-L168 HydrophobicContact CD2-CD1 4.08Å; L166-L168 HydrophobicContact CD2-CD2 3.92Å; L166-L168 HydrophobicContact CD2-CG 3.93Å; L166-L168 HydrophobicContact CG-CD2 3.9Å; L166-L168 HydrophobicContact CG-CG 4Å; L168-R170 PolarHBondContact O-N 3.38Å; L168-E213 PolarHBondContact N-O 3.09Å; L168-E213 PolarHBondContact O-N 3.14Å; L168-F215 HydrophobicContact CB-CE2 4.39Å; L168-F215 HydrophobicContact CD1-CD2 4.44Å; L168-F215 HydrophobicContact CD1-CE2 3.89Å; L168-F215 HydrophobicContact CG-CD2 4.46Å; L168-F215 HydrophobicContact CG-CE2 4.17Å; L168-L233 HydrophobicContact CD1-CD1 3.72Å; L168-L233 HydrophobicContact CD1-CD2 3.87Å; L168-L233 HydrophobicContact CD1-CG 4.38Å; L168-F265 HydrophobicContact CB-CD1 4.43Å; L168-F265 HydrophobicContact CB-CE1 4.3Å; L168-F265 HydrophobicContact CD1-CE1 4.49Å; L168-A276 HydrophobicContact CD2-CB 3.41Å; L168-A276 VanDerWaalsContact CD2-CB 3.41Å
169F90.4Very high82.6Confident28 Ų2839 Ų3912%0.12325%0.246CC..EExtended strand (participates in β ladder)trans-71.6121.4172.1-173.1-111.6000109.7Q171 A210 G211 W212 R270 E274F169-Q171 HydrophobicContact CD1-CG 4.04Å; F169-Q171 HydrophobicContact CE1-CG 3.71Å; F169-A210 HydrophobicContact CE1-CB 4.44Å; F169-A210 HydrophobicContact CE2-CB 4.28Å; F169-A210 HydrophobicContact CZ-CB 3.73Å; F169-G211 CarbonylContact C-O 3.58Å; F169-G211 WeakPolarHBondContact CA-O 3.41Å; F169-G211 VanDerWaalsContact CD2-O 3.27Å; F169-G211 WeakPolarHBondContact CD2-O 3.19Å; F169-W212 HydrophobicContact CB-CD2 4.07Å; F169-W212 HydrophobicContact CB-CE3 3.9Å; F169-W212 HydrophobicContact CB-CH2 3.73Å; F169-W212 HydrophobicContact CB-CZ2 3.87Å; F169-W212 HydrophobicContact CB-CZ3 3.74Å; F169-W212 HydrophobicContact CD2-CD2 4.12Å; F169-W212 AromaticContact CD2-CE2 3.77Å; F169-W212 HydrophobicContact CD2-CG 4.34Å; F169-W212 HydrophobicContact CD2-CZ2 4.14Å; F169-W212 AromaticContact CD2-NE1 3.79Å; F169-W212 HydrophobicContact CG-CZ2 4.29Å; F169-W212 VanDerWaalsContact N-CE3 3.34Å; F169-R270 VanDerWaalsContact O-CZ 3.24Å; F169-R270 PolarHBondContact O-NH1 3.46Å; F169-R270 PolarHBondContact O-NH2 3.17Å; F169-E274 HydrophobicContact CD1-CB 3.89Å; F169-E274 HydrophobicContact CD1-CG 3.59Å; F169-E274 WeakPolarHBondContact CD1-OE2 3.35Å; F169-E274 HydrophobicContact CE1-CB 4.42Å; F169-E274 VanDerWaalsContact CE1-CD 3.42Å; F169-E274 HydrophobicContact CE1-CG 3.65Å; F169-E274 WeakPolarHBondContact CE1-OE2 3.36Å; F169-E274 HydrophobicContact CG-CB 4.41Å; F169-E274 HydrophobicContact CG-CG 4.21Å; F169-E274 HydrophobicContact CZ-CG 4.32Å
170R89.2Confident81.3Confident8 Ų845.7 Ų45.73%0.0328%0.281CS..EExtended strand (participates in β ladder)trans-105.1119.1173.8-172.8-175.349.760.711108.1L168 A210 G211 E213 L263 F265L168-R170 PolarHBondContact O-N 3.38Å; R170-A210 VanDerWaalsContact O-CA 3.3Å; R170-A210 WeakPolarHBondContact O-CA 3.46Å; R170-G211 PolarHBondContact N-O 2.84Å; R170-G211 PolarHBondContact O-N 2.83Å; R170-E213 HydrophobicContact CB-CG 3.88Å; R170-E213 IonicContact CZ-OE1 2.7Å; R170-E213 IonicContact NE-OE1 3.24Å; R170-E213 PolarHBondContact NE-OE1 2.9Å; R170-E213 IonicContact NH2-OE1 3.93Å; R170-E213 PolarHBondContact NH2-OE1 2.99Å; R170-L263 VanDerWaalsContact CD-O 3.26Å; R170-L263 WeakPolarHBondContact CD-O 3.23Å; R170-L263 WeakPolarHBondContact CG-O 3.36Å; R170-F265 HydrophobicContact CB-CD1 4.3Å; R170-F265 HydrophobicContact CB-CE1 3.87Å; R170-F265 HydrophobicContact CB-CZ 4.18Å; R170-F265 HydrophobicContact CG-CD1 4.4Å; R170-F265 HydrophobicContact CG-CE1 4.04Å; R170-F265 HydrophobicContact CG-CE2 4.17Å; R170-F265 HydrophobicContact CG-CZ 3.93Å
171Q86.5Confident79.8Confident67 Ų6743.4 Ų43.431%0.31328%0.279SS..PPolyproline II helixtrans-71155.1175.1-71.3174.3-13.100110.4F169 G264 E274F169-Q171 HydrophobicContact CD1-CG 4.04Å; F169-Q171 HydrophobicContact CE1-CG 3.71Å; Q171-G264 PolarHBondContact N-O 3.24Å; Q171-E274 PolarHBondContact NE2-OE2 2.83Å
172A81.9Confident78.9Confident54 Ų5444 Ų4445%0.44629%0.291SS..PPolyproline II helixtrans-65.9145.3179.200000111A210A172-A210 HydrophobicContact CB-CB 4.32Å
173P74.4Confident78.3Confident24 Ų2446 Ų4616%0.15630%0.304CS..PPolyproline II helixtrans-55.5139.9171.8-5.66.1000112.2A175 W177P173-A175 VanDerWaalsContact C-N 3.28Å; P173-A175 WeakPolarHBondContact CB-O 3.27Å; P173-W177 HydrophobicContact CB-CD2 4.31Å; P173-W177 HydrophobicContact CB-CE3 3.6Å; P173-W177 HydrophobicContact CB-CH2 3.98Å; P173-W177 HydrophobicContact CB-CZ3 3.41Å; P173-W177 VanDerWaalsContact CB-CZ3 3.41Å; P173-W177 HydrophobicContact CG-CD2 4.37Å; P173-W177 HydrophobicContact CG-CE3 3.97Å; P173-W177 HydrophobicContact CG-CH2 3.54Å; P173-W177 HydrophobicContact CG-CZ2 3.93Å; P173-W177 HydrophobicContact CG-CZ3 3.54Å
174S69.8Low78Confident136 Ų13645.6 Ų45.695%0.95130%0.3SS*.SBendtrans-76.3-19.6163.557.50000112.6
175A69.2Low77.7Confident59 Ų5945.9 Ų45.949%0.48830%0.301SS..SBendtrans-158.1155.7172.200000109.1P173P173-A175 VanDerWaalsContact C-N 3.28Å; P173-A175 WeakPolarHBondContact CB-O 3.27Å
176P70.4Confident77.5Confident85 Ų8544.7 Ų44.755%0.55230%0.295SS*.  trans-54.4141.5171.9-24.834.8000112
177W66.6Low77.4Confident19 Ų1945.9 Ų45.97%0.07230%0.301CS..  trans-112.1111.6-169.242.954.2000113.6P173 D203 P204 S262 L263P173-W177 HydrophobicContact CB-CD2 4.31Å; P173-W177 HydrophobicContact CB-CE3 3.6Å; P173-W177 HydrophobicContact CB-CH2 3.98Å; P173-W177 HydrophobicContact CB-CZ3 3.41Å; P173-W177 VanDerWaalsContact CB-CZ3 3.41Å; P173-W177 HydrophobicContact CG-CD2 4.37Å; P173-W177 HydrophobicContact CG-CE3 3.97Å; P173-W177 HydrophobicContact CG-CH2 3.54Å; P173-W177 HydrophobicContact CG-CZ2 3.93Å; P173-W177 HydrophobicContact CG-CZ3 3.54Å; W177-D203 PolarHBondContact NE1-O 2.84Å; W177-P204 PolarHBondContact N-O 3.05Å; W177-P204 WeakPolarHBondContact O-CB 3.46Å; W177-S262 WeakPolarHBondContact CZ3-O 3.47Å; W177-L263 HydrophobicContact CB-CD2 4.45Å; W177-L263 HydrophobicContact CD2-CD2 3.63Å; W177-L263 HydrophobicContact CE3-CD2 4.09Å; W177-L263 HydrophobicContact CG-CD2 3.79Å; W177-L263 VanDerWaalsContact CH2-O 3.26Å; W177-L263 WeakPolarHBondContact CH2-O 3.49Å; W177-L263 HydrophobicContact CZ2-CD2 4.29Å; W177-L263 VanDerWaalsContact CZ3-C 3.48Å; W177-L263 VanDerWaalsContact CZ3-CA 3.4Å
178G61.8Low77.3Confident50 Ų5044.2 Ų44.252%0.51530%0.295SS..SBendtrans89.8-173.6172.500000114.9
179P62.3Low77.3Confident59 Ų5944.9 Ų44.938%0.38330%0.298SS..  trans-84.6179.5-174.22.816000112.1A181 P255P179-A181 HydrophobicContact CB-CB 3.91Å; P179-A181 HydrophobicContact CG-CB 3.9Å; P179-A181 PolarHBondContact O-N 2.84Å; P179-P255 HydrophobicContact CG-CG 3.98Å
180L56.9Low77.3Confident161 Ų16144.8 Ų44.884%0.84330%0.3SS*.SBendtrans-65.618.4161.8-81.6139.5000113.7G182L180-G182 PolarHBondContact O-N 2.86Å
181A57.6Low77.2Confident49 Ų4946.1 Ų46.141%0.40531%0.31SS..SBendtrans-85.147.4-168.400000113.4P179P179-A181 HydrophobicContact CB-CB 3.91Å; P179-A181 HydrophobicContact CG-CB 3.9Å; P179-A181 PolarHBondContact O-N 2.84Å
182G69.1Low77.2Confident37 Ų3751.3 Ų51.338%0.38134%0.339SS..  trans77.1-177.2176.800000115L180L180-G182 PolarHBondContact O-N 2.86Å
183P76.9Confident77.4Confident54 Ų5451 Ų5135%0.35133%0.334SS..  trans-68.9149.2179.627.6-34000112.8T201P183-T201 HydrophobicContact CB-CG2 3.51Å; P183-T201 HydrophobicContact CG-CG2 4.5Å
184L84.1Confident78Confident0 Ų054.1 Ų54.10%035%0.354CS..EExtended strand (participates in β ladder)trans-99.5130.3169.5-176.675.3000109.1L202 A236 W237 P258 L263L184-L202 PolarHBondContact N-O 3.05Å; L184-L202 PolarHBondContact O-N 3.17Å; L184-A236 WeakPolarHBondContact CD1-O 3.39Å; L184-W237 HydrophobicContact CB-CE3 3.99Å; L184-W237 HydrophobicContact CB-CH2 4.36Å; L184-W237 HydrophobicContact CB-CZ3 3.77Å; L184-W237 HydrophobicContact CD1-CD2 3.61Å; L184-W237 HydrophobicContact CD1-CE3 3.7Å; L184-W237 HydrophobicContact CD1-CG 4.2Å; L184-W237 HydrophobicContact CD1-CH2 4.12Å; L184-W237 HydrophobicContact CD1-CZ2 4.05Å; L184-W237 HydrophobicContact CD1-CZ3 3.95Å; L184-W237 HydrophobicContact CG-CE3 4.47Å; L184-W237 HydrophobicContact CG-CZ3 4.42Å; L184-P258 HydrophobicContact CD1-CG 4.01Å; L184-P258 HydrophobicContact CD2-CG 3.64Å; L184-L263 HydrophobicContact CD2-CD1 3.64Å; L184-L263 HydrophobicContact CD2-CD2 3.59Å; L184-L263 HydrophobicContact CD2-CG 4.25Å
185H87.5Confident78.9Confident9 Ų952.6 Ų52.64%0.04233%0.334CS..EExtended strand (participates in β ladder)trans-105.2126.5176.9-65.6-98.9000110.7Q187 T201 A235 A236 G238H185-Q187 HydrophobicContact CB-CG 4.49Å; H185-T201 PolarHBondContact CE1-OG1 3.05Å; H185-T201 PolarHBondContact ND1-OG1 2.85Å; H185-A235 WeakPolarHBondContact O-CA 3.45Å; H185-A236 PolarHBondContact N-O 2.95Å; H185-A236 PolarHBondContact O-N 3.39Å; H185-G238 PolarHBondContact CD2-O 3.14Å
186V90.3Very high79.9Confident1 Ų152.3 Ų52.31%0.00632%0.324CS..EExtended strand (participates in β ladder)trans-94.4117.1168.2175.50000107.8A199 R200 L202 F215 L233 R234 L263 F265V186-A199 CarbonylContact O-C 3.53Å; V186-A199 VanDerWaalsContact O-CA 3.29Å; V186-A199 WeakPolarHBondContact O-CA 3.42Å; V186-R200 PolarHBondContact N-O 2.78Å; V186-R200 PolarHBondContact O-N 2.66Å; V186-L202 HydrophobicContact CG2-CD1 3.5Å; V186-L202 HydrophobicContact CG2-CG 3.94Å; V186-F215 HydrophobicContact CG1-CE1 4.42Å; V186-F215 HydrophobicContact CG1-CZ 4.06Å; V186-L233 HydrophobicContact CG1-CD1 3.43Å; V186-L233 VanDerWaalsContact CG1-CD1 3.43Å; V186-L233 HydrophobicContact CG1-CD2 4.06Å; V186-L233 HydrophobicContact CG1-CG 3.72Å; V186-R234 CarbonylContact C-O 3.55Å; V186-R234 WeakPolarHBondContact CA-O 3.19Å; V186-L263 HydrophobicContact CG2-CD1 4.43Å; V186-F265 HydrophobicContact CG1-CE2 4.39Å; V186-F265 HydrophobicContact CG1-CZ 4.23Å; V186-F265 HydrophobicContact CG2-CE2 3.96Å; V186-F265 HydrophobicContact CG2-CZ 4.26Å
187Q92.3Very high80.9Confident26 Ų2649.1 Ų49.112%0.12130%0.303CS..EExtended strand (participates in β ladder)trans-112.4140.8-171.3-67.2175.7-15.600110.3H185 F189 L196 A199 R234H185-Q187 HydrophobicContact CB-CG 4.49Å; Q187-F189 HydrophobicContact CB-CD2 4.37Å; Q187-F189 HydrophobicContact CB-CE2 3.5Å; Q187-F189 HydrophobicContact CB-CZ 4.01Å; Q187-L196 HydrophobicContact CB-CD1 3.69Å; Q187-L196 HydrophobicContact CG-CD1 4.06Å; Q187-A199 HydrophobicContact CG-CB 4.24Å; Q187-R234 PolarHBondContact N-O 2.84Å; Q187-R234 PolarHBondContact O-N 3.47Å
188L93.9Very high82.1Confident0 Ų049.7 Ų49.70%031%0.307CS..EExtended strand (participates in β ladder)trans-119.3125.8-176.8-170.968000111.5L166 L197 D198 F215 V217 L231 L233L166-L188 HydrophobicContact CB-CD2 4.43Å; L166-L188 HydrophobicContact CD2-CD1 3.81Å; L166-L188 HydrophobicContact CD2-CD2 3.62Å; L166-L188 HydrophobicContact CD2-CG 4.39Å; L188-L197 PolarHBondContact O-N 2.84Å; L188-D198 PolarHBondContact N-O 3.21Å; L188-F215 HydrophobicContact CB-CD1 4.09Å; L188-F215 HydrophobicContact CB-CE1 4.46Å; L188-F215 HydrophobicContact CD2-CB 3.58Å; L188-F215 HydrophobicContact CD2-CD1 4.1Å; L188-F215 HydrophobicContact CD2-CG 3.84Å; L188-V217 HydrophobicContact CD2-CG1 3.46Å; L188-V217 VanDerWaalsContact CD2-CG1 3.46Å; L188-L231 HydrophobicContact CD1-CB 4.06Å; L188-L233 HydrophobicContact CD1-CD1 3.93Å
189F91.4Very high83.6Confident17 Ų1748.3 Ų48.38%0.07529%0.291CS..EExtended strand (participates in β ladder)trans-126.3154-176.6-60-90.4000111.3Q187 P194 L196 L231 E232 R234Q187-F189 HydrophobicContact CB-CD2 4.37Å; Q187-F189 HydrophobicContact CB-CE2 3.5Å; Q187-F189 HydrophobicContact CB-CZ 4.01Å; F189-P194 WeakPolarHBondContact CD1-O 2.98Å; F189-P194 WeakPolarHBondContact CE1-O 3.23Å; F189-L196 HydrophobicContact CD1-CB 4.43Å; F189-L196 HydrophobicContact CD1-CD1 4.49Å; F189-L196 HydrophobicContact CE1-CB 3.92Å; F189-L196 HydrophobicContact CE1-CD1 3.95Å; F189-L196 HydrophobicContact CE2-CD1 4.18Å; F189-L196 HydrophobicContact CZ-CD1 3.78Å; F189-L231 CarbonylContact O-C 3.58Å; F189-L231 WeakPolarHBondContact O-CA 3.37Å; F189-E232 PolarHBondContact N-O 2.88Å; F189-E232 PolarHBondContact O-N 2.83Å; F189-R234 HydrophobicContact CD2-CG 4.01Å; F189-R234 HydrophobicContact CE2-CB 4.25Å; F189-R234 HydrophobicContact CE2-CG 4.08Å
190P91.4Very high84.8Confident26 Ų2649.3 Ų49.317%0.16929%0.287CS..EExtended strand (participates in β ladder)trans-69.7140.3162.7-10.527.6000109.6L192 S193 L195 L197P190-L192 PolarHBondContact O-N 3.06Å; P190-S193 PolarHBondContact O-N 2.77Å; P190-S193 VanDerWaalsContact O-N 3.11Å; P190-L195 WeakPolarHBondContact CD-O 3.29Å; P190-L197 HydrophobicContact CG-CD1 4.1Å; P190-L197 HydrophobicContact CG-CD2 4.15Å; P190-L197 HydrophobicContact CG-CG 4.07Å
191C88.1Confident86.3Confident36 Ų3645.9 Ų45.924%0.24327%0.273CS..THydrogen-bonded Turntrans-60.8-13.1-179.2-62.60000115.2C230 L231C191-C230 HydrophobicContact CB-CB 3.56Å; C191-C230 WeakPolarHBondContact CB-SG 3.45Å; C191-C230 PolarHBondContact N-O 3.11Å; C191-C230 WeakPolarHBondContact SG-CB 3.16Å; C191-C230 PolarHBondContact SG-O 2.84Å; C191-C230 VanDerWaalsContact SG-O 3.35Å; C191-C230 CovalentContact SG-SG 2.03Å; C191-C230 PolarHBondContact SG-SG 3.02Å; C191-L231 PolarHBondContact SG-N 2.76Å; C191-L231 VanDerWaalsContact SG-N 3.42Å
192L86.1Confident87.5Confident176 Ų17644 Ų4492%0.92126%0.256SS*.THydrogen-bonded Turntrans-113.66.8-177.5-57.9178.3000113.3P190P190-L192 PolarHBondContact O-N 3.06Å
193S85.8Confident87.9Confident48 Ų4846.6 Ų46.634%0.33626%0.261SS..  trans-147.4139.6-177-179.70000112.1P190 L195P190-S193 PolarHBondContact O-N 2.77Å; P190-S193 VanDerWaalsContact O-N 3.11Å; S193-L195 PolarHBondContact O-N 3.5Å; S193-L195 WeakPolarHBondContact OG-CB 3.37Å; S193-L195 PolarHBondContact OG-N 2.96Å
194P85.9Confident87.5Confident88 Ų8844.4 Ų44.457%0.57125%0.247SC*.  trans-76.2-1.8172.433.4-35.8000113.3F189 L196F189-P194 WeakPolarHBondContact CD1-O 2.98Å; F189-P194 WeakPolarHBondContact CE1-O 3.23Å; P194-L196 PolarHBondContact O-N 3.32Å
195L89Confident86.8Confident104 Ų10449 Ų4955%0.54527%0.268SS..  trans-65.8119.4178.1-178.264.3000111P190 S193 L197P190-L195 WeakPolarHBondContact CD-O 3.29Å; S193-L195 PolarHBondContact O-N 3.5Å; S193-L195 WeakPolarHBondContact OG-CB 3.37Å; S193-L195 PolarHBondContact OG-N 2.96Å; L195-L197 PolarHBondContact O-N 3.03Å
196L91.1Very high85.6Confident54 Ų5449.7 Ų49.728%0.28328%0.278SS..  trans-63.1126.8170.5-176.167.6000109.7Q187 F189 P194 D198 A199 P240Q187-L196 HydrophobicContact CB-CD1 3.69Å; Q187-L196 HydrophobicContact CG-CD1 4.06Å; F189-L196 HydrophobicContact CD1-CB 4.43Å; F189-L196 HydrophobicContact CD1-CD1 4.49Å; F189-L196 HydrophobicContact CE1-CB 3.92Å; F189-L196 HydrophobicContact CE1-CD1 3.95Å; F189-L196 HydrophobicContact CE2-CD1 4.18Å; F189-L196 HydrophobicContact CZ-CD1 3.78Å; P194-L196 PolarHBondContact O-N 3.32Å; L196-D198 WeakPolarHBondContact CD1-O 3.28Å; L196-A199 HydrophobicContact CD1-CB 4.48Å; L196-A199 HydrophobicContact CD2-CB 4.35Å; L196-P240 HydrophobicContact CD2-CB 4.13Å
197L91.1Very high84.2Confident18 Ų1853.2 Ų53.29%0.09431%0.308CS..  trans-83.1-51.2172.6-67.4171.6000110.8L188 P190 L195 V217 Q219 L231L188-L197 PolarHBondContact O-N 2.84Å; P190-L197 HydrophobicContact CG-CD1 4.1Å; P190-L197 HydrophobicContact CG-CD2 4.15Å; P190-L197 HydrophobicContact CG-CG 4.07Å; L195-L197 PolarHBondContact O-N 3.03Å; L197-V217 HydrophobicContact CD1-CB 4.46Å; L197-V217 HydrophobicContact CD1-CG1 4.28Å; L197-Q219 HydrophobicContact CD2-CB 3.92Å; L197-L231 HydrophobicContact CD1-CD2 3.66Å
198D91.8Very high83Confident31 Ų3153.9 Ų53.917%0.16631%0.314CS..EExtended strand (participates in β ladder)trans-162.2159.5-174.2-162-2.2000109.9L188 L196 R200 F215 D216L188-D198 PolarHBondContact N-O 3.21Å; L196-D198 WeakPolarHBondContact CD1-O 3.28Å; D198-R200 VanDerWaalsContact CG-NH1 3.29Å; D198-R200 IonicContact OD1-CZ 2.68Å; D198-R200 IonicContact OD1-NH1 2.74Å; D198-R200 PolarHBondContact OD1-NH1 3.01Å; D198-R200 IonicContact OD1-NH2 3.42Å; D198-R200 IonicContact OD2-CZ 3.51Å; D198-R200 VanDerWaalsContact OD2-CZ 3.28Å; D198-R200 IonicContact OD2-NH1 3.79Å; D198-R200 PolarHBondContact OD2-NH1 3.22Å; D198-R200 IonicContact OD2-NH2 3.83Å; D198-R200 PolarHBondContact OD2-NH2 2.86Å; D198-F215 HydrophobicContact CB-CB 4.22Å; D198-F215 HydrophobicContact CB-CD1 4.25Å; D198-F215 VanDerWaalsContact OD2-CA 3.28Å; D198-F215 WeakPolarHBondContact OD2-CA 3.46Å; D198-D216 PolarHBondContact OD2-N 3Å
199A92Very high82.1Confident21 Ų2158.9 Ų58.917%0.17435%0.346CS..EExtended strand (participates in β ladder)trans-142.1146.7178.500000112.1V186 Q187 L196V186-A199 CarbonylContact O-C 3.53Å; V186-A199 VanDerWaalsContact O-CA 3.29Å; V186-A199 WeakPolarHBondContact O-CA 3.42Å; Q187-A199 HydrophobicContact CG-CB 4.24Å; L196-A199 HydrophobicContact CD1-CB 4.48Å; L196-A199 HydrophobicContact CD2-CB 4.35Å
200R89.5Confident81.9Confident79 Ų7960.5 Ų60.530%0.29836%0.363SS..EExtended strand (participates in β ladder)trans-124.6131.9176.1-67.7-68.7170.7-88.5-6.2110.9V186 D198 V214 F215V186-R200 PolarHBondContact N-O 2.78Å; V186-R200 PolarHBondContact O-N 2.66Å; D198-R200 VanDerWaalsContact CG-NH1 3.29Å; D198-R200 IonicContact OD1-CZ 2.68Å; D198-R200 IonicContact OD1-NH1 2.74Å; D198-R200 PolarHBondContact OD1-NH1 3.01Å; D198-R200 IonicContact OD1-NH2 3.42Å; D198-R200 IonicContact OD2-CZ 3.51Å; D198-R200 VanDerWaalsContact OD2-CZ 3.28Å; D198-R200 IonicContact OD2-NH1 3.79Å; D198-R200 PolarHBondContact OD2-NH1 3.22Å; D198-R200 IonicContact OD2-NH2 3.83Å; D198-R200 PolarHBondContact OD2-NH2 2.86Å; R200-V214 PolarHBondContact NE-O 3.05Å; R200-V214 PolarHBondContact NH2-O 2.83Å; R200-F215 HydrophobicContact CB-CE1 3.97Å; R200-F215 HydrophobicContact CB-CZ 4.18Å; R200-F215 HydrophobicContact CG-CD1 3.94Å; R200-F215 HydrophobicContact CG-CE1 3.5Å; R200-F215 HydrophobicContact CG-CE2 4.5Å; R200-F215 HydrophobicContact CG-CZ 3.81Å
201T87.8Confident81.7Confident90 Ų9060.2 Ų60.255%0.55237%0.365SS*.EExtended strand (participates in β ladder)trans-83.1121.7176.3-45.30000109.3P183 H185P183-T201 HydrophobicContact CB-CG2 3.51Å; P183-T201 HydrophobicContact CG-CG2 4.5Å; H185-T201 PolarHBondContact CE1-OG1 3.05Å; H185-T201 PolarHBondContact ND1-OG1 2.85Å
202L82.4Confident81.8Confident9 Ų962.5 Ų62.55%0.04737%0.369CS..EExtended strand (participates in β ladder)trans-102.7131.5171-61.5-173.5000109.8L184 V186 F265L184-L202 PolarHBondContact N-O 3.05Å; L184-L202 PolarHBondContact O-N 3.17Å; V186-L202 HydrophobicContact CG2-CD1 3.5Å; V186-L202 HydrophobicContact CG2-CG 3.94Å; L202-F265 HydrophobicContact CD1-CE2 4.15Å; L202-F265 HydrophobicContact CD1-CZ 4.43Å
203D76.7Confident82.1Confident91 Ų9155.7 Ų55.749%0.48733%0.332SS..PPolyproline II helixtrans-74.7127.5167.5-176.7-9.9000109.4W177 Q205 G206W177-D203 PolarHBondContact NE1-O 2.84Å; D203-Q205 PolarHBondContact OD1-N 3.36Å; D203-G206 PolarHBondContact OD1-N 3.37Å; D203-G206 PolarHBondContact OD2-N 3.36Å
204P69.1Low82.5Confident9 Ų955.3 Ų55.36%0.05833%0.327CS..SBendtrans-81.1-2017530.9-34000115.1W177W177-P204 PolarHBondContact N-O 3.05Å; W177-P204 WeakPolarHBondContact O-CB 3.46Å
205Q70.2Confident82.9Confident95 Ų9551.2 Ų51.244%0.44430%0.301SS..SBendtrans-100.7-31.8-177.6-61.6-57.3-41.400112.2D203D203-Q205 PolarHBondContact OD1-N 3.36Å
206G62.7Low83Confident24 Ų2450 Ų5025%0.24730%0.295CS..SBendtrans-57.5138.7162.300000110.8D203 P208D203-G206 PolarHBondContact OD1-N 3.37Å; D203-G206 PolarHBondContact OD2-N 3.36Å; G206-P208 WeakPolarHBondContact O-CD 3.41Å
207A59.4Low83.1Confident76 Ų7647.4 Ų47.463%0.62828%0.281SS*.  trans-102.271.3163.700000108.8
208P67.5Low83Confident39 Ų3949.7 Ų49.725%0.25329%0.289SS..PPolyproline II helixtrans-62.2140.2-177.427.4-35.5000109.9G206G206-P208 WeakPolarHBondContact O-CD 3.41Å
209P75.8Confident82.7Confident105 Ų10553 Ų5368%0.68230%0.303SS*.PPolyproline II helixtrans-59.1161.8-179.626.1-35000111.5G211P209-G211 PolarHBondContact O-N 2.91Å
210A86.1Confident82.3Confident51 Ų5153.2 Ų53.242%0.42131%0.308SS..SBendtrans-60.3130172.300000109.4F169 R170 A172F169-A210 HydrophobicContact CE1-CB 4.44Å; F169-A210 HydrophobicContact CE2-CB 4.28Å; F169-A210 HydrophobicContact CZ-CB 3.73Å; R170-A210 VanDerWaalsContact O-CA 3.3Å; R170-A210 WeakPolarHBondContact O-CA 3.46Å; A172-A210 HydrophobicContact CB-CB 4.32Å
211G88.2Confident82.1Confident21 Ų2149.7 Ų49.722%0.21630%0.295CS..EExtended strand (participates in β ladder)trans-166.8179.3-166.200000113.9F169 R170 P209F169-G211 CarbonylContact C-O 3.58Å; F169-G211 WeakPolarHBondContact CA-O 3.41Å; F169-G211 VanDerWaalsContact CD2-O 3.27Å; F169-G211 WeakPolarHBondContact CD2-O 3.19Å; R170-G211 PolarHBondContact N-O 2.84Å; R170-G211 PolarHBondContact O-N 2.83Å; P209-G211 PolarHBondContact O-N 2.91Å
212W90.8Very high81.6Confident84 Ų8453 Ų5332%0.31830%0.297SS..EExtended strand (participates in β ladder)trans-101.8109.7-177.1-70.894.8000111.2H95 R167 F169 Q273 R275H95-W212 AromaticContact CE1-CH2 3.39Å; H95-W212 WeakPolarHBondContact CE1-CH2 3.41Å; H95-W212 AromaticContact CE1-CZ2 3.33Å; H95-W212 WeakPolarHBondContact CE1-CZ2 3.4Å; H95-W212 AromaticContact NE2-CH2 3.21Å; H95-W212 WeakPolarHBondContact NE2-CH2 2.9Å; H95-W212 AromaticContact NE2-CZ2 3.46Å; H95-W212 WeakPolarHBondContact NE2-CZ2 3.46Å; R167-W212 HydrophobicContact CB-CE3 3.77Å; R167-W212 HydrophobicContact CB-CZ3 4.12Å; R167-W212 WeakPolarHBondContact O-CZ3 3.43Å; F169-W212 HydrophobicContact CB-CD2 4.07Å; F169-W212 HydrophobicContact CB-CE3 3.9Å; F169-W212 HydrophobicContact CB-CH2 3.73Å; F169-W212 HydrophobicContact CB-CZ2 3.87Å; F169-W212 HydrophobicContact CB-CZ3 3.74Å; F169-W212 HydrophobicContact CD2-CD2 4.12Å; F169-W212 AromaticContact CD2-CE2 3.77Å; F169-W212 HydrophobicContact CD2-CG 4.34Å; F169-W212 HydrophobicContact CD2-CZ2 4.14Å; F169-W212 AromaticContact CD2-NE1 3.79Å; F169-W212 HydrophobicContact CG-CZ2 4.29Å; F169-W212 VanDerWaalsContact N-CE3 3.34Å; W212-Q273 WeakPolarHBondContact CZ2-O 3.32Å; W212-R275 WeakPolarHBondContact CH2-O 3.18Å
213E92.1Very high81.2Confident33 Ų3359.8 Ų59.815%0.15433%0.328CS..EExtended strand (participates in β ladder)trans-77.6123.3166.3-51.8-58.4162.900108.1L168 R170 F215 F265L168-E213 PolarHBondContact N-O 3.09Å; L168-E213 PolarHBondContact O-N 3.14Å; R170-E213 HydrophobicContact CB-CG 3.88Å; R170-E213 IonicContact CZ-OE1 2.7Å; R170-E213 IonicContact NE-OE1 3.24Å; R170-E213 PolarHBondContact NE-OE1 2.9Å; R170-E213 IonicContact NH2-OE1 3.93Å; R170-E213 PolarHBondContact NH2-OE1 2.99Å; E213-F215 HydrophobicContact CB-CE2 3.76Å; E213-F215 HydrophobicContact CB-CZ 4.27Å; E213-F265 HydrophobicContact CG-CE1 4.12Å; E213-F265 HydrophobicContact CG-CZ 4.22Å
214V93.2Very high80.7Confident39 Ų3959.8 Ų59.824%0.23633%0.325CS..EExtended strand (participates in β ladder)trans-115.2130.5-176-176.20000109.9E165 L166 R167 R200E165-V214 HydrophobicContact CB-CG1 4.13Å; E165-V214 HydrophobicContact CG-CG1 4.21Å; L166-V214 WeakPolarHBondContact O-CA 3.37Å; R167-V214 HydrophobicContact CG-CG1 4.39Å; R167-V214 HydrophobicContact CG-CG2 4.3Å; R200-V214 PolarHBondContact NE-O 3.05Å; R200-V214 PolarHBondContact NH2-O 2.83Å
215F94.1Very high80.9Confident2 Ų263.7 Ų63.71%0.00935%0.351CS..EExtended strand (participates in β ladder)trans-123.8138.7-177.6-57-101.9000110.4E165 L166 L168 V186 L188 D198 R200 E213 V217 L233E165-F215 CarbonylContact C-O 3.57Å; E165-F215 WeakPolarHBondContact CA-O 3.21Å; L166-F215 HydrophobicContact CB-CB 4.41Å; L166-F215 PolarHBondContact N-O 2.83Å; L166-F215 PolarHBondContact O-N 3.37Å; L168-F215 HydrophobicContact CB-CE2 4.39Å; L168-F215 HydrophobicContact CD1-CD2 4.44Å; L168-F215 HydrophobicContact CD1-CE2 3.89Å; L168-F215 HydrophobicContact CG-CD2 4.46Å; L168-F215 HydrophobicContact CG-CE2 4.17Å; V186-F215 HydrophobicContact CG1-CE1 4.42Å; V186-F215 HydrophobicContact CG1-CZ 4.06Å; L188-F215 HydrophobicContact CB-CD1 4.09Å; L188-F215 HydrophobicContact CB-CE1 4.46Å; L188-F215 HydrophobicContact CD2-CB 3.58Å; L188-F215 HydrophobicContact CD2-CD1 4.1Å; L188-F215 HydrophobicContact CD2-CG 3.84Å; D198-F215 HydrophobicContact CB-CB 4.22Å; D198-F215 HydrophobicContact CB-CD1 4.25Å; D198-F215 VanDerWaalsContact OD2-CA 3.28Å; D198-F215 WeakPolarHBondContact OD2-CA 3.46Å; R200-F215 HydrophobicContact CB-CE1 3.97Å; R200-F215 HydrophobicContact CB-CZ 4.18Å; R200-F215 HydrophobicContact CG-CD1 3.94Å; R200-F215 HydrophobicContact CG-CE1 3.5Å; R200-F215 HydrophobicContact CG-CE2 4.5Å; R200-F215 HydrophobicContact CG-CZ 3.81Å; E213-F215 HydrophobicContact CB-CE2 3.76Å; E213-F215 HydrophobicContact CB-CZ 4.27Å; F215-V217 HydrophobicContact CB-CG1 4.48Å; F215-L233 HydrophobicContact CZ-CD1 4.21Å
216D91.6Very high81.2Confident78 Ų7860.2 Ų60.242%0.41733%0.333SS..EExtended strand (participates in β ladder)trans-75.5126.2168.1-169.7-26.7000109.2D198 W218D198-D216 PolarHBondContact OD2-N 3Å; D216-W218 WeakPolarHBondContact OD1-CB 3.38Å; D216-W218 PolarHBondContact OD1-N 2.92Å
217V92.8Very high82.1Confident0 Ų066.2 Ų66.20%035%0.352CS..  trans-126.212.1179.1-59.90000112.6A164 L166 L188 L197 F215 Q219 G220 L221 L231 L278A164-V217 HydrophobicContact CB-CG2 3.83Å; A164-V217 PolarHBondContact O-N 3.02Å; L166-V217 HydrophobicContact CB-CG1 3.69Å; L166-V217 HydrophobicContact CB-CG2 4.2Å; L188-V217 HydrophobicContact CD2-CG1 3.46Å; L188-V217 VanDerWaalsContact CD2-CG1 3.46Å; L197-V217 HydrophobicContact CD1-CB 4.46Å; L197-V217 HydrophobicContact CD1-CG1 4.28Å; F215-V217 HydrophobicContact CB-CG1 4.48Å; V217-Q219 PolarHBondContact O-N 3.27Å; V217-G220 PolarHBondContact O-N 3.08Å; V217-L221 PolarHBondContact O-N 2.81Å; V217-L231 HydrophobicContact CB-CD1 4.33Å; V217-L231 HydrophobicContact CG1-CD1 3.89Å; V217-L278 HydrophobicContact CG2-CD1 3.52Å
218W89.6Confident83.5Confident67 Ų6769.4 Ų69.425%0.25436%0.355SS..G310 helixtrans-52.9-40.8179.1173.576.6000112.4L161 G163 A164 D216 G220 L221 R222L161-W218 PolarHBondContact O-NE1 3.22Å; G163-W218 VanDerWaalsContact CA-CD1 3.49Å; A164-W218 PolarHBondContact O-N 2.88Å; D216-W218 WeakPolarHBondContact OD1-CB 3.38Å; D216-W218 PolarHBondContact OD1-N 2.92Å; W218-G220 VanDerWaalsContact C-N 3.27Å; W218-G220 PolarHBondContact O-N 3.29Å; W218-L221 PolarHBondContact O-N 2.87Å; W218-L221 VanDerWaalsContact O-N 3.17Å; W218-R222 PolarHBondContact O-N 2.84Å; W218-R222 VanDerWaalsContact O-N 3.16Å
219Q85.9Confident84.6Confident100 Ų10068.1 Ų68.147%0.46735%0.345SS..G310 helixtrans-61.3-34.6177.7-60.9-167.36700112.7L197 V217 L221 R222L197-Q219 HydrophobicContact CD2-CB 3.92Å; V217-Q219 PolarHBondContact O-N 3.27Å; Q219-L221 VanDerWaalsContact C-N 3.3Å; Q219-L221 PolarHBondContact O-N 2.83Å; Q219-R222 WeakPolarHBondContact O-CB 3.29Å; Q219-R222 PolarHBondContact O-N 2.83Å
220G83.3Confident85.3Confident26 Ų2664.8 Ų64.827%0.26832%0.324SS..G310 helixtrans-71-23.5178.500000113.9V217 W218V217-G220 PolarHBondContact O-N 3.08Å; W218-G220 VanDerWaalsContact C-N 3.27Å; W218-G220 PolarHBondContact O-N 3.29Å
221L84.5Confident85.6Confident5 Ų562.3 Ų62.33%0.02630%0.304CS..G310 helixtrans-99.72.5175-75.8167.3000113.2V152 L161 A164 V217 W218 Q219 H223 W226 L229 L278 V280V152-L221 HydrophobicContact CG2-CD2 4.3Å; L161-L221 HydrophobicContact CD2-CB 3.57Å; L161-L221 VanDerWaalsContact CD2-O 3.32Å; L161-L221 WeakPolarHBondContact CD2-O 3.46Å; A164-L221 HydrophobicContact CB-CD1 3.7Å; V217-L221 PolarHBondContact O-N 2.81Å; W218-L221 PolarHBondContact O-N 2.87Å; W218-L221 VanDerWaalsContact O-N 3.17Å; Q219-L221 VanDerWaalsContact C-N 3.3Å; Q219-L221 PolarHBondContact O-N 2.83Å; L221-H223 PolarHBondContact O-N 3.31Å; L221-H223 VanDerWaalsContact O-N 3.15Å; L221-W226 PolarHBondContact O-NE1 2.87Å; L221-L229 HydrophobicContact CD1-CD2 4.11Å; L221-L229 HydrophobicContact CD2-CB 4.26Å; L221-L229 HydrophobicContact CD2-CD1 4.01Å; L221-L229 HydrophobicContact CD2-CD2 4.14Å; L221-L229 HydrophobicContact CD2-CG 4.36Å; L221-L229 HydrophobicContact CG-CD1 4.1Å; L221-L229 HydrophobicContact CG-CD2 3.92Å; L221-L278 HydrophobicContact CD1-CD1 4.39Å; L221-L278 HydrophobicContact CD1-CD2 4.44Å; L221-V280 HydrophobicContact CD1-CG1 4.42Å; L221-V280 HydrophobicContact CD1-CG2 3.79Å
222R77.9Confident85.8Confident159 Ų15961.8 Ų61.860%0.630%0.296SS*.SBendtrans-66-19.9-174.3-170.8171.8177.9-173.9-0.5114.6W218 Q219W218-R222 PolarHBondContact O-N 2.84Å; W218-R222 VanDerWaalsContact O-N 3.16Å; Q219-R222 WeakPolarHBondContact O-CB 3.29Å; Q219-R222 PolarHBondContact O-N 2.83Å
223H73.2Confident85.8Confident152 Ų15257.8 Ų57.870%0.70428%0.281SS*.SBendtrans-104.5128.7-178.4-59.397.6000111.3L221L221-H223 PolarHBondContact O-N 3.31Å; L221-H223 VanDerWaalsContact O-N 3.15Å
224Q66.3Low85.7Confident91 Ų9159.4 Ų59.443%0.42529%0.285SS..SBendtrans-92.2159.8175.4-75-132.3-59.700111.7D157 W226D157-Q224 PolarHBondContact OD1-NE2 2.78Å; D157-Q224 PolarHBondContact OD1-OE1 3.35Å; Q224-W226 HydrophobicContact CG-CD2 4.27Å; Q224-W226 HydrophobicContact CG-CH2 4.45Å; Q224-W226 HydrophobicContact CG-CZ2 3.93Å; Q224-W226 VanDerWaalsContact NE2-CD2 3.34Å
225P73.4Confident85.5Confident91 Ų9158.1 Ų58.159%0.59128%0.279SS*.SBendcis-83.3147.3-133.3-35.2000113.1K227P225-K227 PolarHBondContact O-N 2.81Å
226W76.1Confident85Confident22 Ų2259.3 Ų59.38%0.08329%0.289CS..  trans-81.7115.6179.4-55.3-46.9000111.1V152 L155 L161 L221 Q224V152-W226 HydrophobicContact CG2-CB 3.98Å; L155-W226 HydrophobicContact CB-CD2 4.15Å; L155-W226 HydrophobicContact CB-CE3 3.33Å; L155-W226 HydrophobicContact CB-CZ3 3.87Å; L155-W226 HydrophobicContact CD1-CD2 4.15Å; L155-W226 HydrophobicContact CD1-CE3 4.05Å; L155-W226 HydrophobicContact CD1-CG 4.41Å; L155-W226 HydrophobicContact CG-CE3 4.34Å; L161-W226 HydrophobicContact CB-CH2 4.1Å; L161-W226 HydrophobicContact CB-CZ2 3.88Å; L161-W226 HydrophobicContact CD2-CZ2 4.24Å; L221-W226 PolarHBondContact O-NE1 2.87Å; Q224-W226 HydrophobicContact CG-CD2 4.27Å; Q224-W226 HydrophobicContact CG-CH2 4.45Å; Q224-W226 HydrophobicContact CG-CZ2 3.93Å; Q224-W226 VanDerWaalsContact NE2-CD2 3.34Å
227K82.9Confident84.4Confident149 Ų14957 Ų5765%0.64828%0.275SS*.SBendtrans-118.8-63.7172.9-66.3-173.9177.7-176.20110.9V152 S153 P225V152-K227 PolarHBondContact N-O 2.94Å; S153-K227 PolarHBondContact N-O 3.35Å; P225-K227 PolarHBondContact O-N 2.81Å
228Q87.9Confident83.3Confident144 Ų14458.3 Ų58.367%0.67329%0.288SS*.EExtended strand (participates in β ladder)trans-136.9142176.6-67.2-178.1-14.100109.9F150F150-Q228 CarbonylContact O-C 3.55Å; F150-Q228 VanDerWaalsContact O-CA 3.27Å; F150-Q228 WeakPolarHBondContact O-CA 3.43Å
229L90.4Very high82Confident11 Ų1162 Ų626%0.05831%0.308CS..EExtended strand (participates in β ladder)trans-106.6121.1170.6-17370.8000108.8F150 V152 L221 L231 L278F150-L229 HydrophobicContact CB-CB 4.39Å; F150-L229 PolarHBondContact N-O 2.85Å; F150-L229 PolarHBondContact O-N 2.88Å; V152-L229 HydrophobicContact CG1-CB 4.38Å; V152-L229 HydrophobicContact CG2-CB 4.48Å; L221-L229 HydrophobicContact CD1-CD2 4.11Å; L221-L229 HydrophobicContact CD2-CB 4.26Å; L221-L229 HydrophobicContact CD2-CD1 4.01Å; L221-L229 HydrophobicContact CD2-CD2 4.14Å; L221-L229 HydrophobicContact CD2-CG 4.36Å; L221-L229 HydrophobicContact CG-CD1 4.1Å; L221-L229 HydrophobicContact CG-CD2 3.92Å; L229-L231 HydrophobicContact CD1-CD2 4.11Å; L229-L231 HydrophobicContact CD2-CD1 3.86Å; L229-L231 HydrophobicContact CD2-CD2 4.15Å; L229-L231 HydrophobicContact CD2-CG 4.03Å; L229-L231 HydrophobicContact CG-CD1 4.38Å; L229-L231 HydrophobicContact CG-CD2 3.99Å; L229-L231 HydrophobicContact CG-CG 3.98Å; L229-L278 HydrophobicContact CB-CD2 4.49Å; L229-L278 HydrophobicContact CD2-CD1 3.96Å; L229-L278 HydrophobicContact CD2-CD2 3.7Å; L229-L278 HydrophobicContact CD2-CG 4.49Å
230C91.2Very high80.6Confident35 Ų3559.1 Ų59.124%0.23630%0.298CS..EExtended strand (participates in β ladder)trans-112.3121.3173.3-173.90000109.2Y148 L149 C191Y148-C230 WeakPolarHBondContact O-CA 3.44Å; L149-C230 HydrophobicContact CD2-CB 3.72Å; L149-C230 VanDerWaalsContact CD2-SG 3.51Å; C191-C230 HydrophobicContact CB-CB 3.56Å; C191-C230 WeakPolarHBondContact CB-SG 3.45Å; C191-C230 PolarHBondContact N-O 3.11Å; C191-C230 WeakPolarHBondContact SG-CB 3.16Å; C191-C230 PolarHBondContact SG-O 2.84Å; C191-C230 VanDerWaalsContact SG-O 3.35Å; C191-C230 CovalentContact SG-SG 2.03Å; C191-C230 PolarHBondContact SG-SG 3.02Å
231L92.6Very high78.8Confident0 Ų065.8 Ų65.80%033%0.327CS..EExtended strand (participates in β ladder)trans-120.4136179.2-56.7176.8000109.9K147 Y148 F150 L166 L188 F189 C191 L197 V217 L229K147-L231 CarbonylContact C-O 3.54Å; K147-L231 WeakPolarHBondContact CA-O 3.36Å; Y148-L231 PolarHBondContact N-O 3.21Å; Y148-L231 PolarHBondContact O-N 3.07Å; F150-L231 HydrophobicContact CE2-CD1 4.36Å; L166-L231 HydrophobicContact CB-CD1 4.41Å; L166-L231 HydrophobicContact CD1-CD1 4.44Å; L166-L231 HydrophobicContact CD2-CD1 3.85Å; L166-L231 HydrophobicContact CG-CD1 4.46Å; L188-L231 HydrophobicContact CD1-CB 4.06Å; F189-L231 CarbonylContact O-C 3.58Å; F189-L231 WeakPolarHBondContact O-CA 3.37Å; C191-L231 PolarHBondContact SG-N 2.76Å; C191-L231 VanDerWaalsContact SG-N 3.42Å; L197-L231 HydrophobicContact CD1-CD2 3.66Å; V217-L231 HydrophobicContact CB-CD1 4.33Å; V217-L231 HydrophobicContact CG1-CD1 3.89Å; L229-L231 HydrophobicContact CD1-CD2 4.11Å; L229-L231 HydrophobicContact CD2-CD1 3.86Å; L229-L231 HydrophobicContact CD2-CD2 4.15Å; L229-L231 HydrophobicContact CD2-CG 4.03Å; L229-L231 HydrophobicContact CG-CD1 4.38Å; L229-L231 HydrophobicContact CG-CD2 3.99Å; L229-L231 HydrophobicContact CG-CG 3.98Å
232E91.4Very high76.8Confident10 Ų1069.3 Ų69.35%0.04736%0.357CS..EExtended strand (participates in β ladder)trans-112.9121.2178.3-169.3176.687.500110.6R145 Q146 K147 F189 R234R145-E232 HydrophobicContact CB-CG 4.08Å; R145-E232 WeakPolarHBondContact CD-OE1 3.48Å; R145-E232 IonicContact NH1-OE1 2.9Å; Q146-E232 WeakPolarHBondContact O-CA 3.48Å; K147-E232 WeakPolarHBondContact CE-OE2 3.4Å; K147-E232 HydrophobicContact CG-CB 4.37Å; K147-E232 HydrophobicContact CG-CG 4.12Å; K147-E232 IonicContact NZ-OE2 3.7Å; F189-E232 PolarHBondContact N-O 2.88Å; F189-E232 PolarHBondContact O-N 2.83Å; E232-R234 IonicContact OE1-CZ 2.82Å; E232-R234 IonicContact OE1-NE 2.75Å; E232-R234 PolarHBondContact OE1-NE 2.89Å; E232-R234 IonicContact OE1-NH2 2.69Å; E232-R234 PolarHBondContact OE1-NH2 3.04Å
233L91.8Very high75Confident0 Ų073.4 Ų73.40%037%0.373CS..EExtended strand (participates in β ladder)trans-88.7135.9174.4-16275.6000109.8R145 Q146 Y148 L168 V186 L188 F215 L260 F265R145-L233 WeakPolarHBondContact CA-O 3.4Å; Q146-L233 PolarHBondContact N-O 3.28Å; Q146-L233 VanDerWaalsContact N-O 3.08Å; Q146-L233 PolarHBondContact O-N 3.18Å; Y148-L233 HydrophobicContact CD2-CB 4.47Å; Y148-L233 HydrophobicContact CE2-CB 3.89Å; Y148-L233 HydrophobicContact CE2-CD2 4.2Å; L168-L233 HydrophobicContact CD1-CD1 3.72Å; L168-L233 HydrophobicContact CD1-CD2 3.87Å; L168-L233 HydrophobicContact CD1-CG 4.38Å; V186-L233 HydrophobicContact CG1-CD1 3.43Å; V186-L233 VanDerWaalsContact CG1-CD1 3.43Å; V186-L233 HydrophobicContact CG1-CD2 4.06Å; V186-L233 HydrophobicContact CG1-CG 3.72Å; L188-L233 HydrophobicContact CD1-CD1 3.93Å; F215-L233 HydrophobicContact CZ-CD1 4.21Å; L233-L260 HydrophobicContact CD2-CD2 4.24Å; L233-L260 WeakPolarHBondContact O-CD1 3.37Å; L233-F265 HydrophobicContact CD2-CB 4.34Å; L233-F265 HydrophobicContact CD2-CD1 3.95Å; L233-F265 HydrophobicContact CD2-CD2 4.19Å; L233-F265 HydrophobicContact CD2-CE1 4.26Å; L233-F265 HydrophobicContact CD2-CE2 4.49Å; L233-F265 HydrophobicContact CD2-CG 3.91Å
234R90.3Very high73.5Confident66 Ų6674 Ų7425%0.24938%0.376CS..EExtended strand (participates in β ladder)trans-134155.2177.2-55-171.5-179.5157.52110.4R145 V186 Q187 F189 E232R145-R234 HydrophobicContact CG-CG 4.28Å; V186-R234 CarbonylContact C-O 3.55Å; V186-R234 WeakPolarHBondContact CA-O 3.19Å; Q187-R234 PolarHBondContact N-O 2.84Å; Q187-R234 PolarHBondContact O-N 3.47Å; F189-R234 HydrophobicContact CD2-CG 4.01Å; F189-R234 HydrophobicContact CE2-CB 4.25Å; F189-R234 HydrophobicContact CE2-CG 4.08Å; E232-R234 IonicContact OE1-CZ 2.82Å; E232-R234 IonicContact OE1-NE 2.75Å; E232-R234 PolarHBondContact OE1-NE 2.89Å; E232-R234 IonicContact OE1-NH2 2.69Å; E232-R234 PolarHBondContact OE1-NH2 3.04Å
235A87.4Confident72Confident13 Ų1373.2 Ų73.211%0.10739%0.385CS..EExtended strand (participates in β ladder)trans-118.4134.9170.900000110.6H185 P257 L260 L263H185-A235 WeakPolarHBondContact O-CA 3.45Å; A235-P257 HydrophobicContact CB-CB 4.46Å; A235-P257 WeakPolarHBondContact O-CB 3.04Å; A235-P257 WeakPolarHBondContact O-CG 3.27Å; A235-L260 HydrophobicContact CB-CD2 3.88Å; A235-L263 HydrophobicContact CB-CD1 3.97Å
236A84.1Confident70.5Confident27 Ų2776.9 Ų76.922%0.22339%0.394CS..EExtended strand (participates in β ladder)trans-139.5150.8-179.300000111.1L184 H185L184-A236 WeakPolarHBondContact CD1-O 3.39Å; H185-A236 PolarHBondContact N-O 2.95Å; H185-A236 PolarHBondContact O-N 3.39Å
237W79.1Confident68.8Low30 Ų3081.7 Ų81.711%0.11443%0.426CS..EExtended strand (participates in β ladder)trans-96.7137.9172.1-64.1111.7000109.8L184 P255 P258L184-W237 HydrophobicContact CB-CE3 3.99Å; L184-W237 HydrophobicContact CB-CH2 4.36Å; L184-W237 HydrophobicContact CB-CZ3 3.77Å; L184-W237 HydrophobicContact CD1-CD2 3.61Å; L184-W237 HydrophobicContact CD1-CE3 3.7Å; L184-W237 HydrophobicContact CD1-CG 4.2Å; L184-W237 HydrophobicContact CD1-CH2 4.12Å; L184-W237 HydrophobicContact CD1-CZ2 4.05Å; L184-W237 HydrophobicContact CD1-CZ3 3.95Å; L184-W237 HydrophobicContact CG-CE3 4.47Å; L184-W237 HydrophobicContact CG-CZ3 4.42Å; W237-P255 HydrophobicContact CZ2-CG 4.46Å; W237-P255 PolarHBondContact NE1-O 3.48Å; W237-P258 HydrophobicContact CZ2-CG 4.38Å
238G69.9Low66.9Low26 Ų2682.1 Ų82.127%0.26843%0.43SS..SBendtrans86.8178.2-178.200000114.5H185H185-G238 PolarHBondContact CD2-O 3.14Å
239E61.6Low64.5Low146 Ų14680 Ų8068%0.68244%0.438SS*.  trans-62148.9-168.1-69.5-60.4149.900114.3D241E239-D241 PolarHBondContact O-N 2.94Å
240P57.5Low62.4Low39 Ų3991.2 Ų91.225%0.25348%0.479SS..SBendtrans-65.6-32-176.8-22.534.2000115.4L196 A242L196-P240 HydrophobicContact CD2-CB 4.13Å; P240-A242 VanDerWaalsContact C-N 3.35Å; P240-A242 PolarHBondContact O-N 2.65Å
241D46Very low59.9Low166 Ų16691.9 Ų91.989%0.88849%0.492SS*.  trans-86.766-171.3-86.1-46.3000113.5E239E239-D241 PolarHBondContact O-N 2.94Å
242A40.9Very low57.9Low79 Ų7998.5 Ų98.565%0.65354%0.535SS*.  trans-122.1100.2165.200000110.2P240P240-A242 VanDerWaalsContact C-N 3.35Å; P240-A242 PolarHBondContact O-N 2.65Å
243R41.1Very low56.2Low244 Ų244106.7 Ų106.792%0.92157%0.573SS**  trans-53.5145.3170.2-67.6-179.9177.8-179.2-1.4110.3A245R243-A245 PolarHBondContact O-N 2.74Å
244E40.8Very low54.6Low165 Ų165113.2 Ų113.277%0.77160%0.604SS**  trans-29.387.7-175.3-64.6176.1146.300115.2E246E244-E246 PolarHBondContact O-N 3.39Å
245A35.5Very low53.5Low75 Ų75112.2 Ų112.262%0.6261%0.605SS**  trans-89.628.3172.200000111.8R243 T247R243-A245 PolarHBondContact O-N 2.74Å; A245-T247 PolarHBondContact O-N 2.88Å
246E41.4Very low52.7Low167 Ų167116.1 Ų116.178%0.7863%0.63SS**  trans-71.973.4168.8-71-161.7172.200109.9E244E244-E246 PolarHBondContact O-N 3.39Å
247T40.1Very low52.2Low124 Ų124116.7 Ų116.776%0.76163%0.631SS**SBendtrans-171.7-32.2148.319.80000113.6A245A245-T247 PolarHBondContact O-N 2.88Å
248H44.1Very low52.1Low157 Ų157116.5 Ų116.573%0.72763%0.634SS**SBendtrans-133.7146.6-169.4-69.797.3000114.8
249A37.7Very low52.7Low101 Ų101116.7 Ų116.784%0.83563%0.629SS**  trans65.756.3174.100000117.7G251A249-G251 PolarHBondContact O-N 2.86Å
250R46.3Very low53.9Low246 Ų246109.8 Ų109.893%0.92860%0.597SS**  trans-63.9103.2155.3177178.3-72.8173.5-0.5109.3
251G39.2Very low55.1Low49 Ų49112.1 Ų112.151%0.50560%0.6SS.*  trans-62.3142.9176.800000112.4A249 Q253A249-G251 PolarHBondContact O-N 2.86Å; G251-Q253 PolarHBondContact O-N 2.98Å
252P50.1Low56.8Low138 Ų138107.3 Ų107.390%0.89658%0.579SS**THydrogen-bonded Turntrans-72.36.2-164.8-21.634.9000118
253Q55.5Low58.8Low182 Ų182103.5 Ų103.585%0.8555%0.548SS*.THydrogen-bonded Turntrans-128.5-11.9-165-64.7-170.91.400116.5G251G251-Q253 PolarHBondContact O-N 2.98Å
254Q58Low60.9Low138 Ų13892.2 Ų92.265%0.64551%0.508SS*.PPolyproline II helixtrans-83.6128.3178-78.4-178.5-20.800111.2
255P67.3Low63.1Low44 Ų4484.5 Ų84.529%0.28647%0.472SS..PPolyproline II helixtrans-67.6153.9173.930-34.5000110.4P179 W237P179-P255 HydrophobicContact CG-CG 3.98Å; W237-P255 HydrophobicContact CZ2-CG 4.46Å; W237-P255 PolarHBondContact NE1-O 3.48Å
256P71.3Confident65.3Low96 Ų9681.4 Ų81.462%0.62345%0.448SS*.PPolyproline II helixtrans-59.9145.717128.6-35.3000109.6
257P72.7Confident67Low39 Ų3975.2 Ų75.225%0.25342%0.417SS..PPolyproline II helixtrans-55.2150.9-178.48.5-19.7000113.2R144 A235R144-P257 VanDerWaalsContact NH1-CD 3.31Å; R144-P257 PolarHBondContact NH1-O 2.82Å; R144-P257 PolarHBondContact NH2-O 3.32Å; R144-P257 VanDerWaalsContact NH2-O 3.16Å; A235-P257 HydrophobicContact CB-CB 4.46Å; A235-P257 WeakPolarHBondContact O-CB 3.04Å; A235-P257 WeakPolarHBondContact O-CG 3.27Å
258P76.9Confident68.4Low26 Ų2676.3 Ų76.317%0.16941%0.407CS..PPolyproline II helixtrans-66.4166.5177.725.8-32.4000112.4L184 W237 L263L184-P258 HydrophobicContact CD1-CG 4.01Å; L184-P258 HydrophobicContact CD2-CG 3.64Å; W237-P258 HydrophobicContact CZ2-CG 4.38Å; P258-L263 HydrophobicContact CB-CD2 4.13Å; P258-L263 HydrophobicContact CB-CG 4.34Å; P258-L263 HydrophobicContact CG-CD1 4.09Å; P258-L263 HydrophobicContact CG-CD2 3.74Å; P258-L263 HydrophobicContact CG-CG 4.06Å
259D83.3Confident69.4Low30 Ų3075.9 Ų75.916%0.1642%0.415CS..PPolyproline II helixtrans-73.7132.5173.7-172.3-46000109.2P142 L143 R261 S262 L263P142-D259 WeakPolarHBondContact CA-OD2 3.08Å; P142-D259 HydrophobicContact CB-CB 4.03Å; P142-D259 VanDerWaalsContact CB-OD2 3.32Å; P142-D259 WeakPolarHBondContact CB-OD2 3.46Å; L143-D259 WeakPolarHBondContact CB-OD1 3.14Å; L143-D259 VanDerWaalsContact N-CG 3.32Å; L143-D259 PolarHBondContact N-OD2 2.77Å; D259-R261 PolarHBondContact O-N 3.24Å; D259-R261 VanDerWaalsContact O-N 3.09Å; D259-R261 WeakPolarHBondContact OD1-CA 3.23Å; D259-R261 WeakPolarHBondContact OD1-CB 3.48Å; D259-R261 VanDerWaalsContact OD1-CG 3.29Å; D259-R261 WeakPolarHBondContact OD1-CG 3.36Å; D259-R261 PolarHBondContact OD1-N 2.7Å; D259-S262 PolarHBondContact N-OG 2.73Å; D259-S262 WeakPolarHBondContact O-CA 3.44Å; D259-S262 PolarHBondContact O-N 3.4Å; D259-S262 PolarHBondContact O-OG 2.98Å; D259-L263 PolarHBondContact O-N 3.13Å; D259-L263 VanDerWaalsContact O-N 3.07Å
260L85.4Confident71.1Confident1 Ų172.6 Ų72.61%0.00538%0.381CS..THydrogen-bonded Turntrans-57-27.8178.4-68.1171.4000112.2L143 Q146 L233 A235 L263 G264 F265L143-L260 WeakPolarHBondContact O-CG 3.46Å; L143-L260 PolarHBondContact O-N 3.11Å; L143-L260 VanDerWaalsContact O-N 3.12Å; Q146-L260 HydrophobicContact CB-CD1 3.64Å; L233-L260 HydrophobicContact CD2-CD2 4.24Å; L233-L260 WeakPolarHBondContact O-CD1 3.37Å; A235-L260 HydrophobicContact CB-CD2 3.88Å; L260-L263 HydrophobicContact CD2-CD1 4.26Å; L260-L263 PolarHBondContact O-N 2.89Å; L260-G264 PolarHBondContact O-N 2.67Å; L260-F265 HydrophobicContact CB-CB 4.48Å; L260-F265 HydrophobicContact CD2-CD2 4.42Å; L260-F265 WeakPolarHBondContact O-CB 3.32Å; L260-F265 PolarHBondContact O-N 2.9Å
261R84Confident72.8Confident88 Ų8863.4 Ų63.433%0.33235%0.353SS..THydrogen-bonded Turntrans-74.7-33.3175.8-53.4172.663.3-140.9-14.2112L143 D259 L263 G264L143-R261 HydrophobicContact CB-CG 3.96Å; L143-R261 HydrophobicContact CD2-CG 3.64Å; L143-R261 HydrophobicContact CG-CG 4.45Å; D259-R261 PolarHBondContact O-N 3.24Å; D259-R261 VanDerWaalsContact O-N 3.09Å; D259-R261 WeakPolarHBondContact OD1-CA 3.23Å; D259-R261 WeakPolarHBondContact OD1-CB 3.48Å; D259-R261 VanDerWaalsContact OD1-CG 3.29Å; D259-R261 WeakPolarHBondContact OD1-CG 3.36Å; D259-R261 PolarHBondContact OD1-N 2.7Å; R261-L263 VanDerWaalsContact C-N 3.3Å; R261-G264 PolarHBondContact O-N 3.05Å
262S80.6Confident74.7Confident64 Ų6464.3 Ų64.345%0.44835%0.35SS..THydrogen-bonded Turntrans-70.7-28.5170.660.80000112W177 D259 G264W177-S262 WeakPolarHBondContact CZ3-O 3.47Å; D259-S262 PolarHBondContact N-OG 2.73Å; D259-S262 WeakPolarHBondContact O-CA 3.44Å; D259-S262 PolarHBondContact O-N 3.4Å; D259-S262 PolarHBondContact O-OG 2.98Å; S262-G264 PolarHBondContact O-N 3.34Å
263L83.1Confident76.3Confident0 Ų060.6 Ų60.60%032%0.321CS..THydrogen-bonded Turntrans-752.6171.9-60.3-179.6000114.5R170 W177 L184 V186 A235 P258 D259 L260 R261 F265R170-L263 VanDerWaalsContact CD-O 3.26Å; R170-L263 WeakPolarHBondContact CD-O 3.23Å; R170-L263 WeakPolarHBondContact CG-O 3.36Å; W177-L263 HydrophobicContact CB-CD2 4.45Å; W177-L263 HydrophobicContact CD2-CD2 3.63Å; W177-L263 HydrophobicContact CE3-CD2 4.09Å; W177-L263 HydrophobicContact CG-CD2 3.79Å; W177-L263 VanDerWaalsContact CH2-O 3.26Å; W177-L263 WeakPolarHBondContact CH2-O 3.49Å; W177-L263 HydrophobicContact CZ2-CD2 4.29Å; W177-L263 VanDerWaalsContact CZ3-C 3.48Å; W177-L263 VanDerWaalsContact CZ3-CA 3.4Å; L184-L263 HydrophobicContact CD2-CD1 3.64Å; L184-L263 HydrophobicContact CD2-CD2 3.59Å; L184-L263 HydrophobicContact CD2-CG 4.25Å; V186-L263 HydrophobicContact CG2-CD1 4.43Å; A235-L263 HydrophobicContact CB-CD1 3.97Å; P258-L263 HydrophobicContact CB-CD2 4.13Å; P258-L263 HydrophobicContact CB-CG 4.34Å; P258-L263 HydrophobicContact CG-CD1 4.09Å; P258-L263 HydrophobicContact CG-CD2 3.74Å; P258-L263 HydrophobicContact CG-CG 4.06Å; D259-L263 PolarHBondContact O-N 3.13Å; D259-L263 VanDerWaalsContact O-N 3.07Å; L260-L263 HydrophobicContact CD2-CD1 4.26Å; L260-L263 PolarHBondContact O-N 2.89Å; R261-L263 VanDerWaalsContact C-N 3.3Å; L263-F265 HydrophobicContact CB-CD2 3.8Å; L263-F265 HydrophobicContact CB-CE2 3.99Å; L263-F265 HydrophobicContact CD1-CE2 4.44Å
264G85.3Confident77.8Confident7 Ų754.2 Ų54.27%0.07229%0.291CS..THydrogen-bonded Turntrans85.48.4179.600000116.2Q171 L260 R261 S262 R270Q171-G264 PolarHBondContact N-O 3.24Å; L260-G264 PolarHBondContact O-N 2.67Å; R261-G264 PolarHBondContact O-N 3.05Å; S262-G264 PolarHBondContact O-N 3.34Å; G264-R270 PolarHBondContact O-NH2 3.46Å
265F87.1Confident79.3Confident2 Ų253.4 Ų53.41%0.00928%0.282CS..  trans-90.11.4176.3-60.8-77000114.5Q146 L168 R170 V186 L202 E213 L233 L260 L263Q146-F265 PolarHBondContact NE2-O 3.37Å; Q146-F265 PolarHBondContact OE1-O 2.92Å; L168-F265 HydrophobicContact CB-CD1 4.43Å; L168-F265 HydrophobicContact CB-CE1 4.3Å; L168-F265 HydrophobicContact CD1-CE1 4.49Å; R170-F265 HydrophobicContact CB-CD1 4.3Å; R170-F265 HydrophobicContact CB-CE1 3.87Å; R170-F265 HydrophobicContact CB-CZ 4.18Å; R170-F265 HydrophobicContact CG-CD1 4.4Å; R170-F265 HydrophobicContact CG-CE1 4.04Å; R170-F265 HydrophobicContact CG-CE2 4.17Å; R170-F265 HydrophobicContact CG-CZ 3.93Å; V186-F265 HydrophobicContact CG1-CE2 4.39Å; V186-F265 HydrophobicContact CG1-CZ 4.23Å; V186-F265 HydrophobicContact CG2-CE2 3.96Å; V186-F265 HydrophobicContact CG2-CZ 4.26Å; L202-F265 HydrophobicContact CD1-CE2 4.15Å; L202-F265 HydrophobicContact CD1-CZ 4.43Å; E213-F265 HydrophobicContact CG-CE1 4.12Å; E213-F265 HydrophobicContact CG-CZ 4.22Å; L233-F265 HydrophobicContact CD2-CB 4.34Å; L233-F265 HydrophobicContact CD2-CD1 3.95Å; L233-F265 HydrophobicContact CD2-CD2 4.19Å; L233-F265 HydrophobicContact CD2-CE1 4.26Å; L233-F265 HydrophobicContact CD2-CE2 4.49Å; L233-F265 HydrophobicContact CD2-CG 3.91Å; L260-F265 HydrophobicContact CB-CB 4.48Å; L260-F265 HydrophobicContact CD2-CD2 4.42Å; L260-F265 WeakPolarHBondContact O-CB 3.32Å; L260-F265 PolarHBondContact O-N 2.9Å; L263-F265 HydrophobicContact CB-CD2 3.8Å; L263-F265 HydrophobicContact CB-CE2 3.99Å; L263-F265 HydrophobicContact CD1-CE2 4.44Å
266G81.9Confident80.5Confident11 Ų1151.5 Ų51.511%0.11327%0.271CS..  trans-62.4143.4177.800000113R270G266-R270 PolarHBondContact O-NE 3.38Å; G266-R270 PolarHBondContact O-NH2 2.97Å
267R78.1Confident81.6Confident36 Ų3647 Ų4714%0.13624%0.241CC..  trans-90.8-9-172.4-60.7174.7-169.1-153.7-3114.8D132 G134 D136 K147 V269 R270D132-R267 IonicContact OD1-NH1 2.67Å; D132-R267 PolarHBondContact OD1-NH1 2.81Å; D132-R267 IonicContact OD2-CZ 3.96Å; D132-R267 IonicContact OD2-NE 3.55Å; D132-R267 IonicContact OD2-NH1 3.28Å; D132-R267 PolarHBondContact OD2-NH1 3.35Å; D132-R267 IonicContact OD2-NH2 2.74Å; G134-R267 VanDerWaalsContact CA-NH1 3.3Å; G134-R267 PolarHBondContact O-NH1 3.04Å; D136-R267 WeakPolarHBondContact OD1-CD 3.46Å; D136-R267 VanDerWaalsContact OD1-CG 3.31Å; D136-R267 WeakPolarHBondContact OD1-CG 3.26Å; D136-R267 IonicContact OD1-NE 3.92Å; D136-R267 PolarHBondContact OD1-NE 3.38Å; D136-R267 WeakPolarHBondContact OD2-CB 3.37Å; D136-R267 PolarHBondContact OD2-N 3.07Å; K147-R267 VanDerWaalsContact C-NH2 3.31Å; K147-R267 PolarHBondContact O-NH1 3.25Å; K147-R267 PolarHBondContact O-NH2 3.37Å; R267-V269 PolarHBondContact O-N 3.44Å; R267-R270 PolarHBondContact O-N 3.05Å
268R69.2Low82.7Confident148 Ų14845.1 Ų45.156%0.55823%0.229SC*.THydrogen-bonded Turntrans-60.4136.3-175.9-64-167.7-179.6-169.9-0.4111.2R270R268-R270 PolarHBondContact O-N 3.1Å
269V63.9Low83.6Confident148 Ų14843.9 Ų43.990%0.89722%0.221SC*.THydrogen-bonded Turntrans6117.4174.7-149.80000115.1R267R267-V269 PolarHBondContact O-N 3.44Å
270R74Confident84.1Confident31 Ų3142.5 Ų42.512%0.11721%0.213CC..  trans-72.3126.8176.4-71.2-177.6-179.6-127.1-4.8112.3F169 G264 G266 R267 R268 E274F169-R270 VanDerWaalsContact O-CZ 3.24Å; F169-R270 PolarHBondContact O-NH1 3.46Å; F169-R270 PolarHBondContact O-NH2 3.17Å; G264-R270 PolarHBondContact O-NH2 3.46Å; G266-R270 PolarHBondContact O-NE 3.38Å; G266-R270 PolarHBondContact O-NH2 2.97Å; R267-R270 PolarHBondContact O-N 3.05Å; R268-R270 PolarHBondContact O-N 3.1Å; R270-E274 HydrophobicContact CB-CB 4.07Å; R270-E274 WeakPolarHBondContact CD-O 3.45Å; R270-E274 HydrophobicContact CG-CB 4.16Å; R270-E274 PolarHBondContact NH1-O 2.92Å
271P81Confident84.4Confident53 Ų5342.6 Ų42.634%0.34421%0.214SC..  trans-63.5164.6165.929.5-36.4000110.8Q273 E274P271-Q273 PolarHBondContact O-N 3.22Å; P271-Q273 VanDerWaalsContact O-N 3.09Å; P271-E274 WeakPolarHBondContact CD-OE1 3.1Å; P271-E274 HydrophobicContact CG-CB 4.04Å; P271-E274 HydrophobicContact CG-CG 3.8Å; P271-E274 WeakPolarHBondContact CG-OE1 3.35Å; P271-E274 PolarHBondContact O-N 2.85Å
272P80.3Confident84.7Confident68 Ų6838.4 Ų38.444%0.44220%0.198SC..G310 helixtrans-52.6-32.5175.3-27.536000113.8E274 R275P272-E274 VanDerWaalsContact C-N 3.29Å; P272-E274 PolarHBondContact O-N 2.8Å; P272-R275 PolarHBondContact O-N 2.84Å
273Q83Confident85.1Confident61 Ų6139.7 Ų39.729%0.28519%0.193SC..G310 helixtrans-73.7-4.4177.9-63.5-69-5.500115.3P94 H95 W212 P271P94-Q273 PolarHBondContact O-NE2 3.34Å; H95-Q273 VanDerWaalsContact CA-OE1 3.3Å; H95-Q273 PolarHBondContact NE2-O 3.36Å; W212-Q273 WeakPolarHBondContact CZ2-O 3.32Å; P271-Q273 PolarHBondContact O-N 3.22Å; P271-Q273 VanDerWaalsContact O-N 3.09Å
274E86.8Confident84.9Confident47 Ų4739.9 Ų39.922%0.2219%0.194CC..G310 helixtrans-117.43.5176.1-74.8179-136.700112.7F169 Q171 R270 P271 P272F169-E274 HydrophobicContact CD1-CB 3.89Å; F169-E274 HydrophobicContact CD1-CG 3.59Å; F169-E274 WeakPolarHBondContact CD1-OE2 3.35Å; F169-E274 HydrophobicContact CE1-CB 4.42Å; F169-E274 VanDerWaalsContact CE1-CD 3.42Å; F169-E274 HydrophobicContact CE1-CG 3.65Å; F169-E274 WeakPolarHBondContact CE1-OE2 3.36Å; F169-E274 HydrophobicContact CG-CB 4.41Å; F169-E274 HydrophobicContact CG-CG 4.21Å; F169-E274 HydrophobicContact CZ-CG 4.32Å; Q171-E274 PolarHBondContact NE2-OE2 2.83Å; R270-E274 HydrophobicContact CB-CB 4.07Å; R270-E274 WeakPolarHBondContact CD-O 3.45Å; R270-E274 HydrophobicContact CG-CB 4.16Å; R270-E274 PolarHBondContact NH1-O 2.92Å; P271-E274 WeakPolarHBondContact CD-OE1 3.1Å; P271-E274 HydrophobicContact CG-CB 4.04Å; P271-E274 HydrophobicContact CG-CG 3.8Å; P271-E274 WeakPolarHBondContact CG-OE1 3.35Å; P271-E274 PolarHBondContact O-N 2.85Å; P272-E274 VanDerWaalsContact C-N 3.29Å; P272-E274 PolarHBondContact O-N 2.8Å
275R89.3Confident84.4Confident121 Ų12146.4 Ų46.446%0.45722%0.223SC..SBendtrans-69.4151.7177-66.4-174.8178.6-163.30.3110.1V131 W212 P272 L277V131-R275 HydrophobicContact CG1-CB 3.82Å; V131-R275 HydrophobicContact CG1-CG 4.41Å; W212-R275 WeakPolarHBondContact CH2-O 3.18Å; P272-R275 PolarHBondContact O-N 2.84Å; R275-L277 PolarHBondContact O-N 2.81Å
276A92.6Very high83.3Confident5 Ų554.9 Ų54.94%0.04126%0.255CS..  trans-61.9132.4173.700000110.1D132 Y148 F150 R167 L168D132-A276 HydrophobicContact CB-CB 3.78Å; D132-A276 WeakPolarHBondContact CB-O 3.3Å; D132-A276 PolarHBondContact N-O 3.33Å; Y148-A276 HydrophobicContact CD1-CB 3.39Å; Y148-A276 HydrophobicContact CE1-CB 3.5Å; F150-A276 HydrophobicContact CZ-CB 4.32Å; R167-A276 WeakPolarHBondContact O-CA 3.42Å; L168-A276 HydrophobicContact CD2-CB 3.41Å; L168-A276 VanDerWaalsContact CD2-CB 3.41Å
277L94.7Very high82.5Confident1 Ų157.3 Ų57.31%0.00526%0.262CS..EExtended strand (participates in β ladder)trans-122.7118.8-174.2-166.378.9000109.2H95 Y97 V131 R167 R275 V279H95-L277 HydrophobicContact CB-CD1 4.27Å; H95-L277 HydrophobicContact CB-CD2 3.99Å; Y97-L277 HydrophobicContact CD1-CD2 4.25Å; V131-L277 HydrophobicContact CG2-CD1 3.91Å; R167-L277 HydrophobicContact CB-CB 4.47Å; R167-L277 PolarHBondContact N-O 2.93Å; R167-L277 PolarHBondContact O-N 2.84Å; R275-L277 PolarHBondContact O-N 2.81Å; L277-V279 HydrophobicContact CD2-CG2 3.54Å; L277-V279 HydrophobicContact CG-CG2 3.87Å
278L95.7Very high82.1Confident0 Ų061.4 Ų61.40%029%0.287CS..EExtended strand (participates in β ladder)trans-90.2123.3167.2171.170.8000107.7S129 F130 F150 V152 V217 L221 L229 V280S129-L278 CarbonylContact C-O 3.54Å; S129-L278 WeakPolarHBondContact CA-O 3.45Å; F130-L278 HydrophobicContact CB-CB 4.28Å; F130-L278 HydrophobicContact CB-CD2 4.37Å; F130-L278 HydrophobicContact CD2-CD2 4.08Å; F130-L278 HydrophobicContact CD2-CG 4.33Å; F130-L278 PolarHBondContact N-O 2.78Å; F130-L278 PolarHBondContact O-N 2.87Å; F150-L278 HydrophobicContact CB-CB 4.5Å; F150-L278 HydrophobicContact CB-CD2 3.68Å; F150-L278 HydrophobicContact CD1-CB 3.49Å; F150-L278 VanDerWaalsContact CD1-CB 3.49Å; F150-L278 HydrophobicContact CD1-CD2 4.26Å; F150-L278 HydrophobicContact CD2-CB 4.04Å; F150-L278 HydrophobicContact CD2-CD2 4.04Å; F150-L278 HydrophobicContact CE1-CB 3.57Å; F150-L278 HydrophobicContact CE2-CB 4.12Å; F150-L278 HydrophobicContact CG-CB 3.74Å; F150-L278 HydrophobicContact CG-CD2 3.72Å; F150-L278 HydrophobicContact CG-CG 4.38Å; F150-L278 HydrophobicContact CZ-CB 3.9Å; V152-L278 HydrophobicContact CG1-CD2 3.69Å; V217-L278 HydrophobicContact CG2-CD1 3.52Å; L221-L278 HydrophobicContact CD1-CD1 4.39Å; L221-L278 HydrophobicContact CD1-CD2 4.44Å; L229-L278 HydrophobicContact CB-CD2 4.49Å; L229-L278 HydrophobicContact CD2-CD1 3.96Å; L229-L278 HydrophobicContact CD2-CD2 3.7Å; L229-L278 HydrophobicContact CD2-CG 4.49Å; L278-V280 HydrophobicContact CD1-CG2 4.33Å; L278-V280 HydrophobicContact CD2-CG2 4.13Å; L278-V280 HydrophobicContact CG-CG2 3.91Å
279V95.4Very high82.4Confident0 Ų054.8 Ų54.80%026%0.262CS..EExtended strand (participates in β ladder)trans-115.4117.6178.3-176.30000108.7Y97 M98 I127 A164 E165 L277 F281Y97-V279 HydrophobicContact CD1-CG2 3.97Å; Y97-V279 HydrophobicContact CE1-CB 4.38Å; Y97-V279 HydrophobicContact CE1-CG1 4.21Å; Y97-V279 HydrophobicContact CE1-CG2 3.88Å; M98-V279 HydrophobicContact SD-CG1 4.25Å; I127-V279 HydrophobicContact CG2-CG1 3.44Å; I127-V279 VanDerWaalsContact CG2-CG1 3.44Å; A164-V279 CarbonylContact C-O 3.58Å; A164-V279 VanDerWaalsContact CA-O 3.29Å; A164-V279 WeakPolarHBondContact CA-O 3.39Å; E165-V279 PolarHBondContact N-O 2.85Å; E165-V279 PolarHBondContact O-N 2.88Å; L277-V279 HydrophobicContact CD2-CG2 3.54Å; L277-V279 HydrophobicContact CG-CG2 3.87Å; V279-F281 HydrophobicContact CB-CE2 4.44Å; V279-F281 HydrophobicContact CG1-CE2 3.97Å; V279-F281 HydrophobicContact CG1-CZ 4.01Å
280V94Very high82.6Confident0 Ų054.2 Ų54.20%025%0.248CC..EExtended strand (participates in β ladder)trans-109.7126.6-175.4-173.60000109I127 T128 F130 L155 L161 A164 L221 L278 T282I127-V280 WeakPolarHBondContact CA-O 3.42Å; T128-V280 PolarHBondContact N-O 2.87Å; T128-V280 PolarHBondContact O-N 3.26Å; F130-V280 HydrophobicContact CD2-CG2 3.88Å; F130-V280 HydrophobicContact CE2-CB 4.08Å; F130-V280 HydrophobicContact CE2-CG2 3.65Å; L155-V280 HydrophobicContact CD1-CB 4.47Å; L155-V280 HydrophobicContact CD1-CG1 3.95Å; L155-V280 HydrophobicContact CD1-CG2 4.35Å; L155-V280 HydrophobicContact CD2-CB 4.37Å; L155-V280 HydrophobicContact CD2-CG1 4.15Å; L161-V280 HydrophobicContact CD1-CG1 3.4Å; A164-V280 HydrophobicContact CB-CG2 4.31Å; L221-V280 HydrophobicContact CD1-CG1 4.42Å; L221-V280 HydrophobicContact CD1-CG2 3.79Å; L278-V280 HydrophobicContact CD1-CG2 4.33Å; L278-V280 HydrophobicContact CD2-CG2 4.13Å; L278-V280 HydrophobicContact CG-CG2 3.91Å; V280-T282 HydrophobicContact CG1-CG2 4.06Å
281F92.3Very high82.4Confident3 Ų355.1 Ų55.11%0.01326%0.262CS..EExtended strand (participates in β ladder)trans-101.7116.1-179.5-58.9-100000108.2A124 I127 V162 G163 E165 V279A124-F281 HydrophobicContact CB-CB 3.85Å; I127-F281 HydrophobicContact CB-CD1 4.46Å; I127-F281 HydrophobicContact CD1-CD1 3.71Å; I127-F281 HydrophobicContact CD1-CE1 3.81Å; I127-F281 HydrophobicContact CG1-CD1 3.72Å; I127-F281 HydrophobicContact CG1-CE1 4.23Å; I127-F281 HydrophobicContact CG2-CD1 3.97Å; I127-F281 HydrophobicContact CG2-CE1 4.01Å; I127-F281 HydrophobicContact CG2-CG 4.45Å; V162-F281 HydrophobicContact CB-CB 4.33Å; V162-F281 WeakPolarHBondContact CB-O 3.4Å; V162-F281 PolarHBondContact N-O 3.32Å; G163-F281 PolarHBondContact N-O 2.84Å; G163-F281 PolarHBondContact O-N 2.94Å; E165-F281 HydrophobicContact CB-CE2 4.33Å; E165-F281 HydrophobicContact CG-CE2 3.92Å; V279-F281 HydrophobicContact CB-CE2 4.44Å; V279-F281 HydrophobicContact CG1-CE2 3.97Å; V279-F281 HydrophobicContact CG1-CZ 4.01Å
282T90.6Very high82Confident0 Ų053.4 Ų53.40%025%0.25CC..EExtended strand (participates in β ladder)trans-120154.8178.466.80000112.4A124 N125 T126 L155 E159 E160 V280A124-T282 WeakPolarHBondContact CA-O 3.28Å; A124-T282 WeakPolarHBondContact CB-O 3.43Å; N125-T282 PolarHBondContact N-O 3.44Å; N125-T282 VanDerWaalsContact N-O 3.15Å; N125-T282 PolarHBondContact OD1-O 3.21Å; T126-T282 WeakPolarHBondContact CB-OG1 3.31Å; T126-T282 PolarHBondContact N-O 3.42Å; T126-T282 VanDerWaalsContact N-O 3.14Å; T126-T282 PolarHBondContact O-N 2.88Å; T126-T282 VanDerWaalsContact O-O 3.06Å; L155-T282 HydrophobicContact CD2-CG2 4.3Å; E159-T282 HydrophobicContact CB-CG2 4.47Å; E159-T282 PolarHBondContact OE2-OG1 2.67Å; E160-T282 CarbonylContact O-C 3.48Å; E160-T282 VanDerWaalsContact O-CA 3.27Å; E160-T282 WeakPolarHBondContact O-CA 3.36Å; V280-T282 HydrophobicContact CG1-CG2 4.06Å
283R88.4Confident81.5Confident92 Ų9251.1 Ų51.135%0.34723%0.234SC..EExtended strand (participates in β ladder)trans-109.897.6168.4179.5164.869.1-173.37.5108S123 E160 V162S123-R283 PolarHBondContact OG-NH1 2.71Å; E160-R283 HydrophobicContact CB-CB 4.27Å; E160-R283 PolarHBondContact N-O 3Å; E160-R283 PolarHBondContact O-N 2.8Å; E160-R283 IonicContact OE1-CZ 3.89Å; E160-R283 IonicContact OE1-NE 3.87Å; E160-R283 IonicContact OE1-NH2 3.2Å; E160-R283 PolarHBondContact OE1-NH2 2.91Å; E160-R283 IonicContact OE2-CZ 2.68Å; E160-R283 IonicContact OE2-NE 2.8Å; E160-R283 PolarHBondContact OE2-NE 3.47Å; E160-R283 IonicContact OE2-NH2 2.73Å; E160-R283 PolarHBondContact OE2-NH2 2.83Å; V162-R283 HydrophobicContact CG2-CB 3.79Å
284S79.6Confident81Confident4 Ų457.6 Ų57.63%0.02826%0.255CS..EExtended strand (participates in β ladder)trans-76.4137.7169.7178.80000109.2N125N125-S284 PolarHBondContact ND2-O 3.34Å; N125-S284 PolarHBondContact OD1-N 3.24Å
285Q74.6Confident80.1Confident144 Ų14461.8 Ų61.867%0.67328%0.275SS*.  trans-61.6162.1160-68.1-63.1-17.400110.3K287Q285-K287 PolarHBondContact O-N 3.45Å
286R63.8Low78.9Confident180 Ų18057.9 Ų57.968%0.67926%0.262SS*.  trans-56.9104.2-178-68.1-177.7175-147.8-7.9111D446R286-D446 IonicContact CZ-OD2 4Å; R286-D446 IonicContact NH1-OD2 2.72Å; R286-D446 PolarHBondContact NH1-OD2 3.37Å
287K66.1Low77.3Confident62 Ų6261.8 Ų61.827%0.2728%0.281SS..  trans-107.8136.5168.4-64.6172-176.81750108E159 Q285 E292E159-K287 IonicContact OE1-NZ 2.78Å; E159-K287 PolarHBondContact OE1-NZ 3.46Å; Q285-K287 PolarHBondContact O-N 3.45Å; K287-E292 HydrophobicContact CB-CG 4.14Å; K287-E292 HydrophobicContact CD-CG 3.96Å; K287-E292 WeakPolarHBondContact CD-OE1 3.42Å; K287-E292 IonicContact NZ-OE1 3.7Å; K287-E292 PolarHBondContact NZ-OE1 3.47Å
288N69.9Low75.3Confident121 Ų12163.7 Ų63.765%0.64730%0.301SS*.  trans-73.5137.3177-59.2-9.1000109.5F290 A291 E292N288-F290 PolarHBondContact O-N 3.36Å; N288-F290 VanDerWaalsContact O-N 3.15Å; N288-A291 WeakPolarHBondContact O-CB 3.43Å; N288-A291 PolarHBondContact O-N 2.92Å; N288-E292 PolarHBondContact O-N 3.09Å
289L74.1Confident73Confident9 Ų966.7 Ų66.75%0.04732%0.323CS..Hα-helixtrans-47.7-45.1176.5177.564.2000112.1A291 E292 M293 W368 I430 Y444 M447L289-A291 VanDerWaalsContact C-N 3.27Å; L289-A291 PolarHBondContact O-N 3.04Å; L289-E292 PolarHBondContact O-N 3.16Å; L289-M293 VanDerWaalsContact O-CB 3.22Å; L289-M293 WeakPolarHBondContact O-CB 3.22Å; L289-M293 PolarHBondContact O-N 2.74Å; L289-W368 HydrophobicContact CD2-CZ3 4.35Å; L289-I430 HydrophobicContact CD1-CD1 4.33Å; L289-I430 HydrophobicContact CD2-CD1 4.18Å; L289-Y444 HydrophobicContact CB-CD1 4.03Å; L289-Y444 HydrophobicContact CB-CE1 4Å; L289-Y444 HydrophobicContact CD1-CD1 4.48Å; L289-Y444 HydrophobicContact CD1-CD2 4.35Å; L289-Y444 HydrophobicContact CD1-CE1 3.96Å; L289-Y444 HydrophobicContact CD1-CE2 3.79Å; L289-M447 HydrophobicContact CD2-CE 3.72Å
290F68.6Low70.5Confident137 Ų13770.2 Ų70.260%0.60135%0.351SS*.Hα-helixtrans-61.1-26.2177.7-69.1-81.3000115.2N288 M293 R294 W368N288-F290 PolarHBondContact O-N 3.36Å; N288-F290 VanDerWaalsContact O-N 3.15Å; F290-M293 HydrophobicContact CD1-CE 3.76Å; F290-M293 HydrophobicContact CE1-CE 4.26Å; F290-R294 WeakPolarHBondContact O-CB 3.43Å; F290-R294 PolarHBondContact O-N 3.15Å; F290-R294 VanDerWaalsContact O-N 3.15Å; F290-W368 AromaticContact CE1-CH2 3.89Å; F290-W368 HydrophobicContact CE1-CH2 3.89Å; F290-W368 HydrophobicContact CE1-CZ2 4.45Å; F290-W368 HydrophobicContact CZ-CH2 4.33Å
291A69.2Low67.8Low50 Ų5078.2 Ų78.241%0.41339%0.389SS..Hα-helixtrans-75.6-49.5177.500000110.6N288 L289 M293 R294 E295N288-A291 WeakPolarHBondContact O-CB 3.43Å; N288-A291 PolarHBondContact O-N 2.92Å; L289-A291 VanDerWaalsContact C-N 3.27Å; L289-A291 PolarHBondContact O-N 3.04Å; A291-M293 VanDerWaalsContact C-N 3.33Å; A291-M293 PolarHBondContact O-N 3.09Å; A291-R294 WeakPolarHBondContact O-CB 3.22Å; A291-R294 PolarHBondContact O-N 2.9Å; A291-R294 VanDerWaalsContact O-N 3.16Å; A291-E295 PolarHBondContact O-N 3.35Å
292E73.2Confident64.9Low16 Ų1682.2 Ų82.28%0.07542%0.422CS..Hα-helixtrans-65-39.6177.2-56.7-168120.700110.7K287 N288 L289 R294 E295 Q296 K442 Y444K287-E292 HydrophobicContact CB-CG 4.14Å; K287-E292 HydrophobicContact CD-CG 3.96Å; K287-E292 WeakPolarHBondContact CD-OE1 3.42Å; K287-E292 IonicContact NZ-OE1 3.7Å; K287-E292 PolarHBondContact NZ-OE1 3.47Å; N288-E292 PolarHBondContact O-N 3.09Å; L289-E292 PolarHBondContact O-N 3.16Å; E292-R294 VanDerWaalsContact C-N 3.3Å; E292-R294 PolarHBondContact O-N 3.15Å; E292-E295 WeakPolarHBondContact O-CB 3.49Å; E292-E295 PolarHBondContact O-N 3.46Å; E292-Q296 WeakPolarHBondContact O-CG 3.34Å; E292-Q296 PolarHBondContact O-N 2.82Å; E292-K442 IonicContact OE1-NZ 3.16Å; E292-K442 PolarHBondContact OE1-NZ 3.25Å; E292-K442 WeakPolarHBondContact OE2-CE 3.27Å; E292-K442 IonicContact OE2-NZ 2.86Å; E292-K442 PolarHBondContact OE2-NZ 2.88Å; E292-Y444 WeakPolarHBondContact OE2-CE1 3.45Å; E292-Y444 PolarHBondContact OE2-OH 3.43Å
293M70.7Confident62.3Low21 Ų2186.6 Ų86.610%0.10346%0.459CS..Hα-helixtrans-62.4-32.9174-173.2-174.382.100113.2L289 F290 A291 E295 Q296 L297 W368 W371L289-M293 VanDerWaalsContact O-CB 3.22Å; L289-M293 WeakPolarHBondContact O-CB 3.22Å; L289-M293 PolarHBondContact O-N 2.74Å; F290-M293 HydrophobicContact CD1-CE 3.76Å; F290-M293 HydrophobicContact CE1-CE 4.26Å; A291-M293 VanDerWaalsContact C-N 3.33Å; A291-M293 PolarHBondContact O-N 3.09Å; M293-E295 VanDerWaalsContact C-N 3.32Å; M293-Q296 PolarHBondContact O-N 2.84Å; M293-L297 HydrophobicContact CE-CD1 4.35Å; M293-L297 HydrophobicContact CG-CD1 4.03Å; M293-L297 WeakPolarHBondContact O-CB 3.4Å; M293-L297 WeakPolarHBondContact O-CG 3.39Å; M293-L297 PolarHBondContact O-N 2.75Å; M293-W368 HydrophobicContact CE-CH2 3.93Å; M293-W368 HydrophobicContact CE-CZ2 3.54Å; M293-W368 HydrophobicContact SD-CD2 3.63Å; M293-W368 HydrophobicContact SD-CE3 3.77Å; M293-W368 HydrophobicContact SD-CG 4.48Å; M293-W368 HydrophobicContact SD-CH2 3.45Å; M293-W368 WeakPolarHBondContact SD-CH2 3.4Å; M293-W368 HydrophobicContact SD-CZ2 3.27Å; M293-W368 WeakPolarHBondContact SD-CZ2 3.3Å; M293-W368 HydrophobicContact SD-CZ3 3.68Å; M293-W371 HydrophobicContact CB-CH2 4.39Å; M293-W371 HydrophobicContact CG-CH2 4.07Å; M293-W371 HydrophobicContact CG-CZ2 3.71Å; M293-W371 HydrophobicContact SD-CH2 4.47Å; M293-W371 HydrophobicContact SD-CZ2 3.99Å
294R71Confident59.5Low196 Ų19684.7 Ų84.774%0.7447%0.468SS*.Hα-helixtrans-67.9-33.3172.9-177173.8179.3153.34.1111.8F290 A291 E292 G298F290-R294 WeakPolarHBondContact O-CB 3.43Å; F290-R294 PolarHBondContact O-N 3.15Å; F290-R294 VanDerWaalsContact O-N 3.15Å; A291-R294 WeakPolarHBondContact O-CB 3.22Å; A291-R294 PolarHBondContact O-N 2.9Å; A291-R294 VanDerWaalsContact O-N 3.16Å; E292-R294 VanDerWaalsContact C-N 3.3Å; E292-R294 PolarHBondContact O-N 3.15Å; R294-G298 PolarHBondContact O-N 2.72Å
295E68.4Low57.4Low135 Ų13591 Ų9163%0.63151%0.508SS*.Hα-helixtrans-71-37.2174.1-63.8171.1165.100111.2A291 E292 M293 S299A291-E295 PolarHBondContact O-N 3.35Å; E292-E295 WeakPolarHBondContact O-CB 3.49Å; E292-E295 PolarHBondContact O-N 3.46Å; M293-E295 VanDerWaalsContact C-N 3.32Å; E295-S299 PolarHBondContact O-N 3.47Å; E295-S299 PolarHBondContact O-OG 2.89Å
296Q63.3Low55.4Low40 Ų4087.8 Ų87.819%0.18752%0.515CS..Hα-helixtrans-64.5-47.9172.6-59.5-77.5-18.800112.2E292 M293 S299E292-Q296 WeakPolarHBondContact O-CG 3.34Å; E292-Q296 PolarHBondContact O-N 2.82Å; M293-Q296 PolarHBondContact O-N 2.84Å; Q296-S299 PolarHBondContact O-OG 2.92Å
297L60Low53.8Low86 Ų8685.7 Ų85.745%0.4552%0.521SS..Hα-helixtrans-74-42.5-178.3-69.9169000112.3M293 S299 A300M293-L297 HydrophobicContact CE-CD1 4.35Å; M293-L297 HydrophobicContact CG-CD1 4.03Å; M293-L297 WeakPolarHBondContact O-CB 3.4Å; M293-L297 WeakPolarHBondContact O-CG 3.39Å; M293-L297 PolarHBondContact O-N 2.75Å; L297-S299 PolarHBondContact O-N 2.9Å; L297-A300 WeakPolarHBondContact O-CB 3.34Å; L297-A300 PolarHBondContact O-N 2.73Å
298G53.2Low52.4Low41 Ų4186.5 Ų86.542%0.42355%0.547SS..Hα-helixtrans-67.6-15.9-179.400000114.5R294R294-G298 PolarHBondContact O-N 2.72Å
299S46.3Very low50.6Low64 Ų6486.9 Ų86.945%0.44855%0.554SS.*THydrogen-bonded Turntrans-84.5-16171.645.90000113.5E295 Q296 L297E295-S299 PolarHBondContact O-N 3.47Å; E295-S299 PolarHBondContact O-OG 2.89Å; Q296-S299 PolarHBondContact O-OG 2.92Å; L297-S299 PolarHBondContact O-N 2.9Å
300A42.5Very low49Very low73 Ų7395.6 Ų95.660%0.60360%0.595SS**THydrogen-bonded Turntrans-79.5-35.717300000112.9L297 A302L297-A300 WeakPolarHBondContact O-CB 3.34Å; L297-A300 PolarHBondContact O-N 2.73Å; A300-A302 PolarHBondContact O-N 2.8Å
301E37.7Very low47.1Very low168 Ų16893 Ų9379%0.78561%0.606SS**G310 helixtrans-69.5-19.2178.9-65.4-171.9110.100113.3A303E301-A303 PolarHBondContact O-N 3.15Å; E301-A303 VanDerWaalsContact O-N 3.11Å
302A32.7Very low45.3Very low87 Ų8795.7 Ų95.772%0.71962%0.622SS**G310 helixtrans-69.8-3.8-178.200000115.1A300A300-A302 PolarHBondContact O-N 2.8Å
303A34.8Very low43.2Very low93 Ų93106.5 Ų106.577%0.76966%0.662SS**G310 helixtrans-101.73-177.700000114.7E301E301-A303 PolarHBondContact O-N 3.15Å; E301-A303 VanDerWaalsContact O-N 3.11Å
304G30.8Very low41.4Very low52 Ų52110.9 Ų110.954%0.53669%0.692SS.*SBendtrans-87.1142.4175.600000113.4G306G304-G306 PolarHBondContact O-N 3.32Å
305P34.5Very low39.9Very low135 Ų135106.7 Ų106.788%0.87769%0.691SS**PPolyproline II helixtrans-65.4126.9170.228.4-33.2000109.8
306G33.3Very low38.4Very low78 Ų78106.7 Ų106.780%0.80470%0.702SS**PPolyproline II helixtrans-73.3140.9-157.800000116.6G304G304-G306 PolarHBondContact O-N 3.32Å
307V28.9Very low37Very low135 Ų135110.8 Ų110.882%0.81874%0.735SS**  trans-121.2110.9152177.50000106.8
308G36.4Very low35.5Very low79 Ų79110.6 Ų110.681%0.81475%0.754SS**  trans-84.6116.4-176.200000112.6
309T32.3Very low34.4Very low130 Ų130113 Ų11380%0.79877%0.77SS**  trans-154.1147.3165.7170000110.2G311T309-G311 PolarHBondContact O-N 3.16Å
310E40.4Very low34Very low192 Ų192116.1 Ų116.190%0.89779%0.788SS**  trans-71.9109.3-177.7-68.8168.988.600112.4S312E310-S312 PolarHBondContact O-N 3.16Å; E310-S312 VanDerWaalsContact O-N 3.09Å
311G30.2Very low33.4Very low81 Ų81120.7 Ų120.784%0.83580%0.803SS**  trans-83.361.7-179.100000114.7T309T309-G311 PolarHBondContact O-N 3.16Å
312S30.7Very low33Very low107 Ų107117.9 Ų117.975%0.74881%0.808SS**PPolyproline II helixtrans-70.8136.5166.4-71.70000110.5E310E310-S312 PolarHBondContact O-N 3.16Å; E310-S312 VanDerWaalsContact O-N 3.09Å
313W29.7Very low32.9Very low243 Ų243117 Ų11792%0.9281%0.808SS**PPolyproline II helixtrans-55.9126.3179.7-69.989.3000111.2
314P32.9Very low33.3Very low114 Ų114117.9 Ų117.974%0.7481%0.806SS**PPolyproline II helixtrans-72.5126.7-177.928-33.6000110.8
315P39.8Very low33.3Very low108 Ų108127.2 Ų127.270%0.70183%0.825SS**PPolyproline II helixtrans-70.9148168.530.9-33.9000110.1S317P315-S317 PolarHBondContact O-N 2.85Å; P315-S317 VanDerWaalsContact O-N 3.09Å
316P36.7Very low33Very low135 Ų135128.5 Ų128.588%0.87782%0.824SS**  trans-67110.6176.727.2-33.6000110.6
317S32.5Very low33.6Very low126 Ų126129.8 Ų129.888%0.88182%0.818SS**  trans-74.9131.3176460000111P315P315-S317 PolarHBondContact O-N 2.85Å; P315-S317 VanDerWaalsContact O-N 3.09Å
318G28.7Very low33.7Very low81 Ų81128.5 Ų128.584%0.83582%0.815SS**  trans-172.424.7-168.700000116.8
319A30.8Very low34.1Very low92 Ų92130.8 Ų130.876%0.7682%0.815SS**  trans-146.8132.3170.900000109.9
320P36.8Very low34.1Very low129 Ų129128.4 Ų128.484%0.83882%0.816SS**  trans-82.1159.8-18033.8-35.5000112.8
321D30Very low33.9Very low169 Ų169131.4 Ų131.490%0.90482%0.819SS**  trans-62.8152.2-174.8-56.2-83.7000115
322A30.5Very low34.6Very low109 Ų109139.6 Ų139.690%0.90183%0.825SS**  trans-144.4125.116800000111.8
323G29.9Very low34.9Very low69 Ų69145.6 Ų145.671%0.71183%0.831SS**  trans-174.6171.5169.700000112.4
324P44.1Very low35.8Very low112 Ų112145.7 Ų145.773%0.72783%0.831SS**  cis-139.3115.4-3632.7-14.8000112.2
325W30.1Very low36.3Very low248 Ų248151.8 Ų151.894%0.93984%0.84SS**  trans-140.4138.7172.9-67.799.7000113.8
326L28.9Very low36.3Very low162 Ų162152.9 Ų152.985%0.84885%0.845SS**  trans-148.4165.7176.8-86.1172000106.7
327P45Very low36.4Very low104 Ų104151 Ų15168%0.67584%0.841SS**  cis-134.8165.55.539.7-23.1000116.9
328S32Very low37Very low108 Ų108155.2 Ų155.276%0.75584%0.843SS**  trans67.6166144.1-690000120.9
329P44.8Very low37.6Very low128 Ų128155.6 Ų155.683%0.83184%0.839SS**  cis-134.8145.3-47.336.8-22000113.6
330G32.3Very low38.4Very low79 Ų79156.1 Ų156.181%0.81484%0.837SS**  trans-165.3111.2179.200000119.1
331R36.3Very low38.9Very low256 Ų256161.5 Ų161.597%0.96684%0.841SS**  trans42.2125.1158.5-76-172.2169.5-146.2-3.8121.5
332R44.9Very low39.8Very low253 Ų253162.3 Ų162.396%0.95584%0.838SS**  trans-54.5138.4163.7-60.7171.9175.5171.9-2.7113.2
333R37.5Very low40.4Very low233 Ų233160.3 Ų160.388%0.87983%0.829SS**  trans-154.4121.6137.8-151.7171.5-173.9-179.71.6111.6
334R47Very low40.8Very low244 Ų244166.7 Ų166.792%0.92184%0.837SS**  trans-60.2140.9167.6-79.9179.5170.2169.8-4.2109.3
335R43.2Very low41.2Very low242 Ų242173.5 Ų173.591%0.91385%0.848SS**  trans-119.3150.3155.4-82.4-175.1165.5168-3.7109.3
336T40.8Very low42.2Very low131 Ų131170 Ų17080%0.80484%0.842SS**PPolyproline II helixtrans-85.6158.9-160.543.90000113.3
337A38.5Very low43Very low96 Ų96165.6 Ų165.679%0.79384%0.836SS**PPolyproline II helixtrans-56148.3167.100000111.4
338F45.4Very low43.1Very low214 Ų214170.5 Ų170.594%0.93985%0.847SS**PPolyproline II helixtrans-72128.1168.8-91.2-94.9000109.9
339A40.7Very low43.9Very low90 Ų90175 Ų17574%0.74485%0.852SS**PPolyproline II helixtrans-70.9147.3-176.800000112.4R341A339-R341 PolarHBondContact O-N 2.93Å
340S47.6Very low44.5Very low103 Ų103173 Ų17372%0.7284%0.842SS**PPolyproline II helixtrans-53.5134.6169.5178.70000111.5
341R48.1Very low46.2Very low242 Ų242178.2 Ų178.291%0.91384%0.837SS**  trans-116.2106.7160.7-75-170.9172.7-166-2.1108.9A339A339-R341 PolarHBondContact O-N 2.93Å
342H47.9Very low48.4Very low185 Ų185170.5 Ų170.586%0.85681%0.814SS**  trans-61.9146.7162.7-77.2-26.1000110.2
343G42.6Very low50.5Low68 Ų68162.9 Ų162.970%0.70179%0.786SS**  trans138.366.3160.500000117.5
344K40.2Very low53.3Low203 Ų203152.1 Ų152.188%0.88375%0.746SS**  trans-169.3149.1131.5-104156.3-172.3-1790111.9H346K344-H346 PolarHBondContact O-N 2.89Å
345R51.1Low55.5Low254 Ų254142.4 Ų142.496%0.95872%0.715SS**  trans-70.593.8175.1-79174.3162.6174.8-6.7109.9
346H50.9Low58Low174 Ų174134.5 Ų134.581%0.80669%0.688SS**  trans-76.3135.5143.3-73.1-79.1000107.7K344 K348K344-H346 PolarHBondContact O-N 2.89Å; H346-K348 PolarHBondContact O-N 3.14Å
347G46.6Very low60.6Low70 Ų70130.2 Ų130.272%0.72266%0.658SS**  trans-53.8132.717500000109.4K349G347-K349 PolarHBondContact O-N 2.92Å
348K46.2Very low63.4Low208 Ų208130.4 Ų130.490%0.90465%0.651SS**  trans-70.577.3-174.6-164.6-179.7-172.6-1780109.2H346 S350H346-K348 PolarHBondContact O-N 3.14Å; K348-S350 VanDerWaalsContact C-N 3.31Å; K348-S350 PolarHBondContact O-N 3.49Å
349K48.9Very low65.8Low201 Ų201123.8 Ų123.887%0.87463%0.625SS**  trans-51.9103.4161.4-76.4-168.9176.5-172.40105.2G347 R351G347-K349 PolarHBondContact O-N 2.92Å; K349-R351 PolarHBondContact O-N 3.15Å
350S58.7Low68.5Low88 Ų88123.4 Ų123.462%0.61561%0.608SS**  trans-55.5125.6173.833.50000106.4K348 L352K348-S350 VanDerWaalsContact C-N 3.31Å; K348-S350 PolarHBondContact O-N 3.49Å; S350-L352 PolarHBondContact O-N 2.9Å
351R66.7Low70.7Confident188 Ų188120 Ų12071%0.70958%0.582SS**  trans-55.2109.1169-77.6179.1175.3173.6-1.6105.7K349 R353 V386K349-R351 PolarHBondContact O-N 3.15Å; R351-R353 PolarHBondContact O-N 2.88Å; R351-V386 HydrophobicContact CB-CB 4.47Å; R351-V386 HydrophobicContact CB-CG2 3.98Å; R351-V386 HydrophobicContact CG-CG2 4.35Å
352L83.6Confident73Confident93 Ų93109.7 Ų109.749%0.48755%0.545SS..  trans-59.2126.8-176.8-66.3179.3000106.5S350 G385 V386S350-L352 PolarHBondContact O-N 2.9Å; L352-G385 CarbonylContact O-C 3.4Å; L352-G385 WeakPolarHBondContact O-CA 3.16Å; L352-V386 PolarHBondContact O-N 3.22Å
353R89.5Confident75.1Confident94 Ų94101 Ų10136%0.35551%0.505SS..BIsolated β-bridgetrans-69.6151.2176.8-71-56.8-170.2106.2-12.1109.3R351 S355 V386 D388R351-R353 PolarHBondContact O-N 2.88Å; R353-S355 WeakPolarHBondContact O-CB 3.44Å; R353-S355 PolarHBondContact O-N 2.78Å; R353-S355 VanDerWaalsContact O-N 3.09Å; R353-S355 PolarHBondContact O-OG 2.72Å; R353-V386 VanDerWaalsContact CD-O 3.23Å; R353-V386 WeakPolarHBondContact CD-O 3.3Å; R353-D388 IonicContact CZ-OD2 3.04Å; R353-D388 IonicContact NE-OD2 2.86Å; R353-D388 PolarHBondContact NE-OD2 3.35Å; R353-D388 PolarHBondContact NH1-O 2.74Å; R353-D388 PolarHBondContact NH2-O 3.33Å; R353-D388 IonicContact NH2-OD2 2.88Å; R353-D388 PolarHBondContact NH2-OD2 2.83Å
354C94.4Very high77.4Confident6 Ų6104 Ų1044%0.04150%0.499CS..SBendtrans-44.5119.3179.9179.90000111.2E384 V386 L395 C420 G453C354-E384 WeakPolarHBondContact CA-O 3.35Å; C354-V386 PolarHBondContact N-O 2.84Å; C354-L395 HydrophobicContact CB-CD1 4.37Å; C354-L395 HydrophobicContact CB-CD2 4.44Å; C354-L395 WeakPolarHBondContact O-CD2 3.32Å; C354-C420 WeakPolarHBondContact CA-SG 3.3Å; C354-C420 HydrophobicContact CB-CB 3.61Å; C354-C420 WeakPolarHBondContact CB-SG 3.02Å; C354-C420 WeakPolarHBondContact SG-CA 3.23Å; C354-C420 WeakPolarHBondContact SG-CB 3Å; C354-C420 CovalentContact SG-SG 2.03Å; C354-C420 PolarHBondContact SG-SG 2.77Å; C354-G453 PolarHBondContact SG-O 3.04Å
355S93.6Very high79.9Confident41 Ų41102.3 Ų102.329%0.28749%0.494SS..EExtended strand (participates in β ladder)trans-162.3156.1-174.145.10000110.9R353 K357 E384R353-S355 WeakPolarHBondContact O-CB 3.44Å; R353-S355 PolarHBondContact O-N 2.78Å; R353-S355 VanDerWaalsContact O-N 3.09Å; R353-S355 PolarHBondContact O-OG 2.72Å; S355-K357 PolarHBondContact OG-NZ 3.03Å; S355-E384 PolarHBondContact N-O 3.03Å; S355-E384 PolarHBondContact O-N 2.83Å; S355-E384 VanDerWaalsContact O-N 3.08Å; S355-E384 VanDerWaalsContact O-O 3.1Å
356K95.4Very high81.7Confident76 Ų7694.3 Ų94.333%0.3347%0.47SS..EExtended strand (participates in β ladder)trans-64147.8172.9-166.3158.583.5178.70111.2Y381 H382 V449 E450K356-Y381 HydrophobicContact CD-CD1 3.91Å; K356-Y381 HydrophobicContact CD-CD2 4.46Å; K356-Y381 HydrophobicContact CD-CG 3.78Å; K356-Y381 HydrophobicContact CG-CD1 3.87Å; K356-Y381 HydrophobicContact CG-CG 4.04Å; K356-H382 CarbonylContact C-O 3.55Å; K356-H382 WeakPolarHBondContact CA-O 3.39Å; K356-V449 HydrophobicContact CD-CB 4.15Å; K356-V449 HydrophobicContact CD-CG1 3.87Å; K356-V449 WeakPolarHBondContact CD-O 3.44Å; K356-V449 WeakPolarHBondContact CE-O 3.36Å; K356-V449 HydrophobicContact CG-CG1 4.35Å; K356-V449 PolarHBondContact NZ-O 3.49Å; K356-E450 PolarHBondContact NZ-O 3.26Å
357K95.9Very high83.5Confident40 Ų4088.3 Ų88.317%0.17446%0.455CS..EExtended strand (participates in β ladder)trans-132.3146.6176.5-60.7-70.8153.8-100.90109S355 Y381 H382 E384S355-K357 PolarHBondContact OG-NZ 3.03Å; K357-Y381 CarbonylContact O-C 3.58Å; K357-Y381 WeakPolarHBondContact O-CA 3.29Å; K357-Y381 VanDerWaalsContact O-CB 3.23Å; K357-Y381 WeakPolarHBondContact O-CB 3.24Å; K357-Y381 WeakPolarHBondContact O-CD1 3.28Å; K357-H382 WeakPolarHBondContact CB-CE1 3.48Å; K357-H382 PolarHBondContact N-O 2.82Å; K357-H382 PolarHBondContact O-N 2.96Å; K357-E384 HydrophobicContact CD-CB 4.33Å; K357-E384 HydrophobicContact CG-CB 3.55Å
358P96.9Very high85.5Confident100 Ų10086.3 Ų86.365%0.64943%0.426SS*.  trans-63.9139.3171.529.5-34.2000110
359L96.4Very high87.5Confident76 Ų7679 Ų7940%0.39840%0.397SS..  trans-146.3103171.4173.960.4000105.8V361 E379 A380 Y381 H382L359-V361 HydrophobicContact CG-CG2 4.49Å; L359-E379 CarbonylContact O-C 3.55Å; L359-A380 HydrophobicContact CD2-CB 4.49Å; L359-A380 HydrophobicContact CG-CB 4.47Å; L359-A380 PolarHBondContact O-N 2.85Å; L359-Y381 PolarHBondContact O-N 2.9Å; L359-Y381 VanDerWaalsContact O-N 3.16Å; L359-H382 HydrophobicContact CB-CB 4.49Å; L359-H382 HydrophobicContact CD2-CB 4.13Å
360H96.7Very high89.4Confident82 Ų8273.7 Ų73.738%0.3838%0.378SS..EExtended strand (participates in β ladder)trans-80.5133.4175-171.187.4000109E377 E379H360-E377 IonicContact CE1-OE1 2.77Å; H360-E377 IonicContact NE2-OE2 3.79Å; H360-E379 IonicContact CE1-OE1 3.19Å; H360-E379 IonicContact CG-OE1 2.8Å; H360-E379 IonicContact ND1-OE1 3.23Å; H360-E379 PolarHBondContact ND1-OE1 3.19Å
361V95.3Very high91Very high30 Ų3071 Ų7118%0.18235%0.354CS..EExtended strand (participates in β ladder)trans-118.8116.5174.9175.80000107.7L359 F363 L366 E377 Y378 A380L359-V361 HydrophobicContact CG-CG2 4.49Å; V361-F363 HydrophobicContact CG1-CE1 4.39Å; V361-L366 HydrophobicContact CG1-CD1 4.12Å; V361-E377 CarbonylContact O-C 3.58Å; V361-E377 VanDerWaalsContact O-CA 3.23Å; V361-E377 WeakPolarHBondContact O-CA 3.42Å; V361-Y378 HydrophobicContact CB-CD1 3.96Å; V361-Y378 HydrophobicContact CB-CE1 3.58Å; V361-Y378 HydrophobicContact CG1-CD1 4.23Å; V361-Y378 HydrophobicContact CG1-CE1 3.6Å; V361-Y378 HydrophobicContact CG2-CE1 4.26Å; V361-Y378 PolarHBondContact N-O 2.87Å; V361-Y378 PolarHBondContact O-N 3.25Å; V361-A380 HydrophobicContact CG2-CB 3.65Å
362N95.1Very high92.2Very high27 Ų2762.2 Ų62.214%0.14432%0.321CS..EExtended strand (participates in β ladder)trans-110.1114.8179.1-164-61.3000109.9K364 E365 L366 E377N362-K364 PolarHBondContact O-N 3.26Å; N362-K364 VanDerWaalsContact OD1-CB 3.28Å; N362-K364 WeakPolarHBondContact OD1-CB 3.22Å; N362-K364 PolarHBondContact OD1-N 3.05Å; N362-K364 VanDerWaalsContact OD1-N 3.08Å; N362-E365 HydrophobicContact CB-CB 4.3Å; N362-E365 HydrophobicContact CB-CG 3.99Å; N362-E365 PolarHBondContact O-N 2.88Å; N362-L366 PolarHBondContact O-N 3.46Å; N362-E377 HydrophobicContact CB-CB 4.4Å; N362-E377 PolarHBondContact ND2-OE2 3.05Å
363F93Very high92.7Very high2 Ų259.9 Ų59.91%0.00931%0.309CS..THydrogen-bonded Turntrans-68.5-21.8-176.2-67.6-60.2000112.9V361 L366 G367 W368 I372 P375 L376 Y378 I430V361-F363 HydrophobicContact CG1-CE1 4.39Å; F363-L366 HydrophobicContact CD1-CD1 4.19Å; F363-L366 CarbonylContact O-C 3.6Å; F363-L366 PolarHBondContact O-N 3.15Å; F363-G367 PolarHBondContact O-N 3.02Å; F363-W368 HydrophobicContact CB-CB 4.32Å; F363-W368 HydrophobicContact CD1-CD2 4.37Å; F363-W368 AromaticContact CD1-CE3 3.44Å; F363-W368 HydrophobicContact CD1-CE3 3.44Å; F363-W368 VanDerWaalsContact CD1-CE3 3.44Å; F363-W368 AromaticContact CD1-CZ3 3.82Å; F363-W368 HydrophobicContact CD1-CZ3 3.82Å; F363-W368 AromaticContact CE1-CE3 3.84Å; F363-W368 HydrophobicContact CE1-CE3 3.84Å; F363-W368 AromaticContact CE1-CZ3 3.8Å; F363-W368 HydrophobicContact CE1-CZ3 3.8Å; F363-W368 PolarHBondContact O-N 3.07Å; F363-I372 HydrophobicContact CB-CD1 4.08Å; F363-I372 HydrophobicContact CD1-CD1 3.7Å; F363-I372 HydrophobicContact CD2-CD1 4.14Å; F363-I372 HydrophobicContact CD2-CG2 4.35Å; F363-I372 HydrophobicContact CE1-CD1 4.09Å; F363-I372 HydrophobicContact CE2-CD1 4.48Å; F363-I372 HydrophobicContact CG-CD1 3.71Å; F363-I372 HydrophobicContact CZ-CD1 4.46Å; F363-P375 WeakPolarHBondContact CD2-O 3.19Å; F363-P375 HydrophobicContact CE2-CG 4.37Å; F363-L376 WeakPolarHBondContact CB-O 3.33Å; F363-L376 PolarHBondContact N-O 3.28Å; F363-Y378 HydrophobicContact CE1-CE1 4.22Å; F363-Y378 AromaticContact CE2-CD1 3.83Å; F363-Y378 HydrophobicContact CE2-CD1 3.83Å; F363-Y378 HydrophobicContact CE2-CE1 4.07Å; F363-Y378 AromaticContact CZ-CD1 3.82Å; F363-Y378 HydrophobicContact CZ-CD1 3.82Å; F363-Y378 AromaticContact CZ-CE1 3.55Å; F363-Y378 HydrophobicContact CZ-CE1 3.55Å; F363-I430 HydrophobicContact CZ-CD1 4.34Å
364K91.1Very high93Very high130 Ų13056.2 Ų56.257%0.56530%0.299SS*.THydrogen-bonded Turntrans-73.2-36.2173.5-179.1164.5-168.5165.50112.6N362 L366 G367 D369N362-K364 PolarHBondContact O-N 3.26Å; N362-K364 VanDerWaalsContact OD1-CB 3.28Å; N362-K364 WeakPolarHBondContact OD1-CB 3.22Å; N362-K364 PolarHBondContact OD1-N 3.05Å; N362-K364 VanDerWaalsContact OD1-N 3.08Å; K364-L366 PolarHBondContact O-N 2.96Å; K364-G367 PolarHBondContact O-N 3.13Å; K364-D369 HydrophobicContact CB-CB 4.07Å; K364-D369 VanDerWaalsContact CD-OD2 3.29Å; K364-D369 WeakPolarHBondContact CD-OD2 3.49Å; K364-D369 VanDerWaalsContact CE-OD2 3.23Å; K364-D369 WeakPolarHBondContact CE-OD2 3.43Å; K364-D369 HydrophobicContact CG-CB 4.32Å; K364-D369 WeakPolarHBondContact CG-OD2 3.18Å; K364-D369 IonicContact NZ-OD2 2.82Å
365E92Very high93.1Very high169 Ų16957.2 Ų57.279%0.7931%0.305SS*.THydrogen-bonded Turntrans-67.1-24.4172.2-63.7-173.1162.300112.1N362N362-E365 HydrophobicContact CB-CB 4.3Å; N362-E365 HydrophobicContact CB-CG 3.99Å; N362-E365 PolarHBondContact O-N 2.88Å
366L89.1Confident93.1Very high86 Ų8659.1 Ų59.145%0.4531%0.311SS..THydrogen-bonded Turntrans-84.7-7.7171.8-59.5173.3000113.6V361 N362 F363 K364 W368V361-L366 HydrophobicContact CG1-CD1 4.12Å; N362-L366 PolarHBondContact O-N 3.46Å; F363-L366 HydrophobicContact CD1-CD1 4.19Å; F363-L366 CarbonylContact O-C 3.6Å; F363-L366 PolarHBondContact O-N 3.15Å; K364-L366 PolarHBondContact O-N 2.96Å; L366-W368 HydrophobicContact CB-CD2 3.93Å; L366-W368 HydrophobicContact CB-CG 4.13Å; L366-W368 HydrophobicContact CB-CZ2 4.02Å; L366-W368 HydrophobicContact CD1-CD2 4.4Å; L366-W368 HydrophobicContact CD1-CE3 4.24Å; L366-W368 HydrophobicContact CD1-CH2 3.77Å; L366-W368 HydrophobicContact CD1-CZ2 3.94Å; L366-W368 HydrophobicContact CD1-CZ3 3.94Å; L366-W368 HydrophobicContact CG-CZ2 4.44Å; L366-W368 PolarHBondContact O-NE1 3.02Å
367G88.6Confident93.1Very high48 Ų4860.6 Ų60.650%0.49532%0.319SS..THydrogen-bonded Turntrans74.927.3-17800000114.6F363 K364F363-G367 PolarHBondContact O-N 3.02Å; K364-G367 PolarHBondContact O-N 3.13Å
368W89.3Confident93Very high27 Ų2760.5 Ų60.510%0.10232%0.318CS..  trans-104.81.7-176.4-54.4-6.8000113.2L289 F290 M293 F363 L366 D370 W371 I372L289-W368 HydrophobicContact CD2-CZ3 4.35Å; F290-W368 AromaticContact CE1-CH2 3.89Å; F290-W368 HydrophobicContact CE1-CH2 3.89Å; F290-W368 HydrophobicContact CE1-CZ2 4.45Å; F290-W368 HydrophobicContact CZ-CH2 4.33Å; M293-W368 HydrophobicContact CE-CH2 3.93Å; M293-W368 HydrophobicContact CE-CZ2 3.54Å; M293-W368 HydrophobicContact SD-CD2 3.63Å; M293-W368 HydrophobicContact SD-CE3 3.77Å; M293-W368 HydrophobicContact SD-CG 4.48Å; M293-W368 HydrophobicContact SD-CH2 3.45Å; M293-W368 WeakPolarHBondContact SD-CH2 3.4Å; M293-W368 HydrophobicContact SD-CZ2 3.27Å; M293-W368 WeakPolarHBondContact SD-CZ2 3.3Å; M293-W368 HydrophobicContact SD-CZ3 3.68Å; F363-W368 HydrophobicContact CB-CB 4.32Å; F363-W368 HydrophobicContact CD1-CD2 4.37Å; F363-W368 AromaticContact CD1-CE3 3.44Å; F363-W368 HydrophobicContact CD1-CE3 3.44Å; F363-W368 VanDerWaalsContact CD1-CE3 3.44Å; F363-W368 AromaticContact CD1-CZ3 3.82Å; F363-W368 HydrophobicContact CD1-CZ3 3.82Å; F363-W368 AromaticContact CE1-CE3 3.84Å; F363-W368 HydrophobicContact CE1-CE3 3.84Å; F363-W368 AromaticContact CE1-CZ3 3.8Å; F363-W368 HydrophobicContact CE1-CZ3 3.8Å; F363-W368 PolarHBondContact O-N 3.07Å; L366-W368 HydrophobicContact CB-CD2 3.93Å; L366-W368 HydrophobicContact CB-CG 4.13Å; L366-W368 HydrophobicContact CB-CZ2 4.02Å; L366-W368 HydrophobicContact CD1-CD2 4.4Å; L366-W368 HydrophobicContact CD1-CE3 4.24Å; L366-W368 HydrophobicContact CD1-CH2 3.77Å; L366-W368 HydrophobicContact CD1-CZ2 3.94Å; L366-W368 HydrophobicContact CD1-CZ3 3.94Å; L366-W368 HydrophobicContact CG-CZ2 4.44Å; L366-W368 PolarHBondContact O-NE1 3.02Å; W368-D370 PolarHBondContact O-N 3.13Å; W368-W371 HydrophobicContact CB-CZ2 3.8Å; W368-W371 AromaticContact CD2-CZ2 3.94Å; W368-W371 HydrophobicContact CD2-CZ2 3.94Å; W368-W371 HydrophobicContact CE3-CZ2 4.04Å; W368-W371 AromaticContact CG-CZ2 3.79Å; W368-W371 HydrophobicContact CG-CZ2 3.79Å; W368-W371 AromaticContact CG-NE1 3.82Å; W368-W371 PolarHBondContact O-N 3.25Å; W368-I372 HydrophobicContact CB-CD1 3.79Å; W368-I372 HydrophobicContact CB-CG1 4.31Å; W368-I372 HydrophobicContact CE3-CD1 3.92Å; W368-I372 PolarHBondContact O-N 2.95Å
369D88.3Confident93Very high55 Ų5559.2 Ų59.229%0.29430%0.304SS..THydrogen-bonded Turntrans-70.4-4.3177.664.1-45.2000114.4K364 L376K364-D369 HydrophobicContact CB-CB 4.07Å; K364-D369 VanDerWaalsContact CD-OD2 3.29Å; K364-D369 WeakPolarHBondContact CD-OD2 3.49Å; K364-D369 VanDerWaalsContact CE-OD2 3.23Å; K364-D369 WeakPolarHBondContact CE-OD2 3.43Å; K364-D369 HydrophobicContact CG-CB 4.32Å; K364-D369 WeakPolarHBondContact CG-OD2 3.18Å; K364-D369 IonicContact NZ-OD2 2.82Å; D369-L376 HydrophobicContact CB-CD2 4.07Å
370D88.9Confident93Very high89 Ų8956 Ų5648%0.47629%0.288SS..THydrogen-bonded Turntrans-79.8-18.7170.9-84.73.7000114R88 W368R88-D370 VanDerWaalsContact CZ-CG 3.46Å; R88-D370 IonicContact CZ-OD1 3.05Å; R88-D370 IonicContact CZ-OD2 3.22Å; R88-D370 VanDerWaalsContact CZ-OD2 3.27Å; R88-D370 IonicContact NE-OD2 2.98Å; R88-D370 IonicContact NH1-OD1 3.27Å; R88-D370 PolarHBondContact NH1-OD1 3.31Å; R88-D370 IonicContact NH1-OD2 3.35Å; R88-D370 IonicContact NH2-OD1 2.7Å; R88-D370 PolarHBondContact NH2-OD1 3.35Å; R88-D370 IonicContact NH2-OD2 3.1Å; R88-D370 PolarHBondContact NH2-OD2 3.19Å; W368-D370 PolarHBondContact O-N 3.13Å
371W90.4Very high93Very high32 Ų3255.9 Ų55.912%0.12129%0.285CS..THydrogen-bonded Turntrans-131.3-28.1-179.661.6-84.8000113.9M293 W368 Y432 I433M293-W371 HydrophobicContact CB-CH2 4.39Å; M293-W371 HydrophobicContact CG-CH2 4.07Å; M293-W371 HydrophobicContact CG-CZ2 3.71Å; M293-W371 HydrophobicContact SD-CH2 4.47Å; M293-W371 HydrophobicContact SD-CZ2 3.99Å; W368-W371 HydrophobicContact CB-CZ2 3.8Å; W368-W371 AromaticContact CD2-CZ2 3.94Å; W368-W371 HydrophobicContact CD2-CZ2 3.94Å; W368-W371 HydrophobicContact CE3-CZ2 4.04Å; W368-W371 AromaticContact CG-CZ2 3.79Å; W368-W371 HydrophobicContact CG-CZ2 3.79Å; W368-W371 AromaticContact CG-NE1 3.82Å; W368-W371 PolarHBondContact O-N 3.25Å; W371-Y432 HydrophobicContact CE3-CD2 4.01Å; W371-Y432 HydrophobicContact CE3-CG 4.21Å; W371-Y432 HydrophobicContact CZ3-CD2 4.1Å; W371-Y432 HydrophobicContact CZ3-CG 4.17Å; W371-Y432 CarbonylContact O-C 3.52Å; W371-Y432 VanDerWaalsContact O-CA 3.23Å; W371-Y432 WeakPolarHBondContact O-CA 3.48Å; W371-Y432 WeakPolarHBondContact O-CB 3.46Å; W371-I433 PolarHBondContact O-N 2.92Å
372I93.1Very high93.1Very high4 Ų457.4 Ų57.42%0.02129%0.29CS..EExtended strand (participates in β ladder)trans-79.8120.6170.6-61.5175000109.6F363 W368 P375 I430F363-I372 HydrophobicContact CB-CD1 4.08Å; F363-I372 HydrophobicContact CD1-CD1 3.7Å; F363-I372 HydrophobicContact CD2-CD1 4.14Å; F363-I372 HydrophobicContact CD2-CG2 4.35Å; F363-I372 HydrophobicContact CE1-CD1 4.09Å; F363-I372 HydrophobicContact CE2-CD1 4.48Å; F363-I372 HydrophobicContact CG-CD1 3.71Å; F363-I372 HydrophobicContact CZ-CD1 4.46Å; W368-I372 HydrophobicContact CB-CD1 3.79Å; W368-I372 HydrophobicContact CB-CG1 4.31Å; W368-I372 HydrophobicContact CE3-CD1 3.92Å; W368-I372 PolarHBondContact O-N 2.95Å; I372-P375 WeakPolarHBondContact CG2-O 3.41Å; I372-I430 HydrophobicContact CG2-CG2 4.13Å
373I94.7Very high93.2Very high44 Ų4457.2 Ų57.223%0.22629%0.29CS..EExtended strand (participates in β ladder)trans-84.8-45.2177.5-59.1155.2000110.2P94 L99 L431 I433 V439P94-I373 HydrophobicContact CB-CD1 4.17Å; P94-I373 HydrophobicContact CG-CD1 3.53Å; P94-I373 HydrophobicContact CG-CG1 4.02Å; P94-I373 HydrophobicContact CG-CG2 4.06Å; L99-I373 HydrophobicContact CD2-CG2 4.36Å; I373-L431 WeakPolarHBondContact CA-O 3.39Å; I373-L431 HydrophobicContact CB-CB 4.48Å; I373-L431 HydrophobicContact CB-CD2 4.16Å; I373-L431 HydrophobicContact CB-CG 4.25Å; I373-L431 WeakPolarHBondContact CB-O 2.92Å; I373-L431 HydrophobicContact CD1-CD2 4.21Å; I373-L431 HydrophobicContact CD1-CG 3.99Å; I373-L431 HydrophobicContact CG2-CD2 3.9Å; I373-L431 PolarHBondContact N-O 2.86Å; I373-I433 HydrophobicContact CD1-CG1 3.82Å; I373-I433 HydrophobicContact CG1-CD1 4.33Å; I373-I433 HydrophobicContact CG1-CG1 4.06Å; I373-V439 HydrophobicContact CD1-CG1 3.84Å; I373-V439 HydrophobicContact CD1-CG2 4.09Å
374A95.6Very high93.3Very high17 Ų1761.4 Ų61.414%0.1431%0.31CS..EExtended strand (participates in β ladder)trans-161.3150.7179.600000112.6Y102 I430 L431Y102-A374 HydrophobicContact CD1-CB 4.02Å; Y102-A374 HydrophobicContact CE1-CB 3.48Å; Y102-A374 VanDerWaalsContact CE1-CB 3.48Å; Y102-A374 HydrophobicContact CE2-CB 4.06Å; A374-I430 CarbonylContact O-C 3.58Å; A374-I430 WeakPolarHBondContact O-CA 3.42Å; A374-L431 HydrophobicContact CB-CB 4.5Å; A374-L431 PolarHBondContact N-O 2.83Å; A374-L431 VanDerWaalsContact N-O 3.07Å; A374-L431 PolarHBondContact O-N 2.91Å
375P95.3Very high93.4Very high26 Ų2656.4 Ų56.417%0.16930%0.296CS..  cis-69.4158.5-15.833.1-34.8000110.1Y102 F363 I372 E377 S429Y102-P375 WeakPolarHBondContact OH-CD 3.3Å; F363-P375 WeakPolarHBondContact CD2-O 3.19Å; F363-P375 HydrophobicContact CE2-CG 4.37Å; I372-P375 WeakPolarHBondContact CG2-O 3.41Å; P375-E377 WeakPolarHBondContact CB-O 3.39Å; P375-S429 WeakPolarHBondContact CD-O 3.45Å
376L93.8Very high93.4Very high81 Ų8150.7 Ų50.742%0.42427%0.272SS..SBendtrans-85.2-15.1170.9-64.4177.8000112.4F363 D369F363-L376 WeakPolarHBondContact CB-O 3.33Å; F363-L376 PolarHBondContact N-O 3.28Å; D369-L376 HydrophobicContact CB-CD2 4.07Å
377E95Very high93.6Very high107 Ų10746.8 Ų46.850%0.525%0.252SS..EExtended strand (participates in β ladder)trans-154.9151.2-179.260.2-174.2-133.400111.7H360 V361 N362 P375H360-E377 IonicContact CE1-OE1 2.77Å; H360-E377 IonicContact NE2-OE2 3.79Å; V361-E377 CarbonylContact O-C 3.58Å; V361-E377 VanDerWaalsContact O-CA 3.23Å; V361-E377 WeakPolarHBondContact O-CA 3.42Å; N362-E377 HydrophobicContact CB-CB 4.4Å; N362-E377 PolarHBondContact ND2-OE2 3.05Å; P375-E377 WeakPolarHBondContact CB-O 3.39Å
378Y94.9Very high93.7Very high38 Ų3846.5 Ų46.515%0.14924%0.239CC..EExtended strand (participates in β ladder)trans-154.3157.5174.677.8-76.8000113V361 F363 A380 I428 M447 V448V361-Y378 HydrophobicContact CB-CD1 3.96Å; V361-Y378 HydrophobicContact CB-CE1 3.58Å; V361-Y378 HydrophobicContact CG1-CD1 4.23Å; V361-Y378 HydrophobicContact CG1-CE1 3.6Å; V361-Y378 HydrophobicContact CG2-CE1 4.26Å; V361-Y378 PolarHBondContact N-O 2.87Å; V361-Y378 PolarHBondContact O-N 3.25Å; F363-Y378 HydrophobicContact CE1-CE1 4.22Å; F363-Y378 AromaticContact CE2-CD1 3.83Å; F363-Y378 HydrophobicContact CE2-CD1 3.83Å; F363-Y378 HydrophobicContact CE2-CE1 4.07Å; F363-Y378 AromaticContact CZ-CD1 3.82Å; F363-Y378 HydrophobicContact CZ-CD1 3.82Å; F363-Y378 AromaticContact CZ-CE1 3.55Å; F363-Y378 HydrophobicContact CZ-CE1 3.55Å; Y378-A380 HydrophobicContact CD2-CB 4.28Å; Y378-A380 HydrophobicContact CE2-CB 3.55Å; Y378-A380 PolarHBondContact O-N 2.86Å; Y378-I428 HydrophobicContact CD1-CD1 3.98Å; Y378-I428 HydrophobicContact CD2-CD1 4.03Å; Y378-I428 HydrophobicContact CD2-CG2 4.16Å; Y378-I428 HydrophobicContact CE1-CD1 3.84Å; Y378-I428 HydrophobicContact CE2-CD1 3.9Å; Y378-I428 HydrophobicContact CE2-CG2 4.38Å; Y378-I428 HydrophobicContact CG-CD1 4.08Å; Y378-M447 WeakPolarHBondContact OH-CE 3.32Å; Y378-V448 HydrophobicContact CD2-CG2 3.64Å; Y378-V448 HydrophobicContact CE2-CG2 3.63Å
379E95.9Very high93.7Very high73 Ų7349.4 Ų49.434%0.34125%0.253SS..EExtended strand (participates in β ladder)trans-85.697.5171.9-67.7-61.6137.200110.1L359 H360 Y381L359-E379 CarbonylContact O-C 3.55Å; H360-E379 IonicContact CE1-OE1 3.19Å; H360-E379 IonicContact CG-OE1 2.8Å; H360-E379 IonicContact ND1-OE1 3.23Å; H360-E379 PolarHBondContact ND1-OE1 3.19Å; E379-Y381 HydrophobicContact CB-CD2 4.02Å; E379-Y381 HydrophobicContact CB-CE2 3.46Å; E379-Y381 VanDerWaalsContact CB-CE2 3.46Å; E379-Y381 HydrophobicContact CG-CE2 4.49Å; E379-Y381 VanDerWaalsContact O-CD2 3.3Å; E379-Y381 WeakPolarHBondContact O-CD2 3.42Å; E379-Y381 WeakPolarHBondContact O-CE2 3.49Å
380A96.3Very high93.8Very high8 Ų851 Ų517%0.06627%0.265CS..  trans-69.8-37.1174.400000112.2L359 V361 Y378 V448 V449L359-A380 HydrophobicContact CD2-CB 4.49Å; L359-A380 HydrophobicContact CG-CB 4.47Å; L359-A380 PolarHBondContact O-N 2.85Å; V361-A380 HydrophobicContact CG2-CB 3.65Å; Y378-A380 HydrophobicContact CD2-CB 4.28Å; Y378-A380 HydrophobicContact CE2-CB 3.55Å; Y378-A380 PolarHBondContact O-N 2.86Å; A380-V448 CarbonylContact O-C 3.47Å; A380-V448 WeakPolarHBondContact O-CA 3.32Å; A380-V449 PolarHBondContact O-N 3.06Å
381Y97.8Very high93.7Very high81 Ų8148 Ų4832%0.31825%0.25SC..  trans58.7160.3-166.4-56.2-94.1000113.9K356 K357 L359 E379 V448 V449K356-Y381 HydrophobicContact CD-CD1 3.91Å; K356-Y381 HydrophobicContact CD-CD2 4.46Å; K356-Y381 HydrophobicContact CD-CG 3.78Å; K356-Y381 HydrophobicContact CG-CD1 3.87Å; K356-Y381 HydrophobicContact CG-CG 4.04Å; K357-Y381 CarbonylContact O-C 3.58Å; K357-Y381 WeakPolarHBondContact O-CA 3.29Å; K357-Y381 VanDerWaalsContact O-CB 3.23Å; K357-Y381 WeakPolarHBondContact O-CB 3.24Å; K357-Y381 WeakPolarHBondContact O-CD1 3.28Å; L359-Y381 PolarHBondContact O-N 2.9Å; L359-Y381 VanDerWaalsContact O-N 3.16Å; E379-Y381 HydrophobicContact CB-CD2 4.02Å; E379-Y381 HydrophobicContact CB-CE2 3.46Å; E379-Y381 VanDerWaalsContact CB-CE2 3.46Å; E379-Y381 HydrophobicContact CG-CE2 4.49Å; E379-Y381 VanDerWaalsContact O-CD2 3.3Å; E379-Y381 WeakPolarHBondContact O-CD2 3.42Å; E379-Y381 WeakPolarHBondContact O-CE2 3.49Å; Y381-V448 HydrophobicContact CD2-CG1 4.2Å; Y381-V449 WeakPolarHBondContact O-CG2 3.06Å
382H97.1Very high93.5Very high62 Ų6254.1 Ų54.129%0.28727%0.273SS..EExtended strand (participates in β ladder)trans-136.5166.3169.371.1-82.9000112.3K356 K357 L359 E384K356-H382 CarbonylContact C-O 3.55Å; K356-H382 WeakPolarHBondContact CA-O 3.39Å; K357-H382 WeakPolarHBondContact CB-CE1 3.48Å; K357-H382 PolarHBondContact N-O 2.82Å; K357-H382 PolarHBondContact O-N 2.96Å; L359-H382 HydrophobicContact CB-CB 4.49Å; L359-H382 HydrophobicContact CD2-CB 4.13Å; H382-E384 IonicContact CD2-OE2 2.82Å; H382-E384 IonicContact CE1-OE2 2.84Å; H382-E384 IonicContact NE2-OE2 2.71Å; H382-E384 PolarHBondContact NE2-OE2 3.22Å
383C96.6Very high93Very high23 Ų2359.2 Ų59.216%0.15531%0.308CS..EExtended strand (participates in β ladder)trans-99128.9173.1-64.40000110.4P422 C452C383-P422 VanDerWaalsContact SG-CA 3.52Å; C383-C452 WeakPolarHBondContact CA-SG 3.39Å; C383-C452 HydrophobicContact CB-CB 3.78Å; C383-C452 WeakPolarHBondContact CB-SG 3.39Å; C383-C452 VanDerWaalsContact SG-CA 3.56Å; C383-C452 WeakPolarHBondContact SG-CB 3.4Å; C383-C452 CovalentContact SG-SG 2.03Å; C383-C452 PolarHBondContact SG-SG 2.97Å
384E95.5Very high92.4Very high89 Ų8963 Ų6342%0.41633%0.325SS..EExtended strand (participates in β ladder)trans-144.9147.1-179.1-158.9-166.6120.300111.2C354 S355 K357 H382C354-E384 WeakPolarHBondContact CA-O 3.35Å; S355-E384 PolarHBondContact N-O 3.03Å; S355-E384 PolarHBondContact O-N 2.83Å; S355-E384 VanDerWaalsContact O-N 3.08Å; S355-E384 VanDerWaalsContact O-O 3.1Å; K357-E384 HydrophobicContact CD-CB 4.33Å; K357-E384 HydrophobicContact CG-CB 3.55Å; H382-E384 IonicContact CD2-OE2 2.82Å; H382-E384 IonicContact CE1-OE2 2.84Å; H382-E384 IonicContact NE2-OE2 2.71Å; H382-E384 PolarHBondContact NE2-OE2 3.22Å
385G93.1Very high92Very high26 Ų2662.8 Ų62.827%0.26832%0.322SS..SBendtrans123.1-177.7172.900000113.2L352 C420L352-G385 CarbonylContact O-C 3.4Å; L352-G385 WeakPolarHBondContact O-CA 3.16Å; G385-C420 WeakPolarHBondContact O-CB 3.49Å
386V92.1Very high91.7Very high49 Ų4965.8 Ų65.830%0.29733%0.333SS..BIsolated β-bridgetrans-106.5141-169.2-166.60000111.4R351 L352 R353 C354 D388R351-V386 HydrophobicContact CB-CB 4.47Å; R351-V386 HydrophobicContact CB-CG2 3.98Å; R351-V386 HydrophobicContact CG-CG2 4.35Å; L352-V386 PolarHBondContact O-N 3.22Å; R353-V386 VanDerWaalsContact CD-O 3.23Å; R353-V386 WeakPolarHBondContact CD-O 3.3Å; C354-V386 PolarHBondContact N-O 2.84Å; V386-D388 WeakPolarHBondContact CG1-OD1 3.31Å
387C93.3Very high91.5Very high3 Ų363.2 Ų63.22%0.0232%0.321CS..  trans-101.557.3177.7-68.50000111.2L391 T405 S418 C454C387-L391 HydrophobicContact CB-CD2 4.01Å; C387-T405 WeakPolarHBondContact O-CG2 3.34Å; C387-S418 WeakPolarHBondContact CB-O 3.33Å; C387-C454 HydrophobicContact CB-CB 3.8Å; C387-C454 WeakPolarHBondContact CB-SG 3.32Å; C387-C454 WeakPolarHBondContact SG-CB 3.46Å; C387-C454 CovalentContact SG-SG 2.03Å; C387-C454 PolarHBondContact SG-SG 3.06Å
388D90.9Very high91.4Very high43 Ų4360.4 Ų60.423%0.2331%0.312CS..PPolyproline II helixtrans-78150.8174.8-11.5-98.4000112.3R353 V386R353-D388 IonicContact CZ-OD2 3.04Å; R353-D388 IonicContact NE-OD2 2.86Å; R353-D388 PolarHBondContact NE-OD2 3.35Å; R353-D388 PolarHBondContact NH1-O 2.74Å; R353-D388 PolarHBondContact NH2-O 3.33Å; R353-D388 IonicContact NH2-OD2 2.88Å; R353-D388 PolarHBondContact NH2-OD2 2.83Å; V386-D388 WeakPolarHBondContact CG1-OD1 3.31Å
389F88.7Confident91.3Very high88 Ų8865.2 Ų65.239%0.38634%0.34SS..SBendtrans-60.5149.7175.3-166.9-97000112.3T405 L406F389-T405 HydrophobicContact CB-CG2 3.87Å; F389-T405 HydrophobicContact CD2-CG2 4.43Å; F389-L406 HydrophobicContact CD1-CD1 4.43Å; F389-L406 HydrophobicContact CD2-CB 3.86Å; F389-L406 HydrophobicContact CD2-CD1 4.12Å; F389-L406 HydrophobicContact CE1-CD1 4.2Å; F389-L406 HydrophobicContact CE2-CB 3.9Å; F389-L406 HydrophobicContact CE2-CD1 3.89Å; F389-L406 HydrophobicContact CE2-CG 4.33Å; F389-L406 HydrophobicContact CG-CD1 4.4Å; F389-L406 HydrophobicContact CZ-CD1 3.93Å
390P90.2Very high91.3Very high87 Ų8767.9 Ų67.957%0.56535%0.352SS*.SBendcis-72.7144.4-17.331.8-34.2000111.7
391L88.6Confident91.2Very high28 Ų2867.5 Ų67.515%0.14735%0.349CS..PPolyproline II helixtrans-71.6140.2171.8-63.2-177.1000110.3C387 P397 A401 I402 T405 C454C387-L391 HydrophobicContact CB-CD2 4.01Å; L391-P397 HydrophobicContact CB-CB 4.33Å; L391-P397 HydrophobicContact CB-CG 4.15Å; L391-P397 HydrophobicContact CD1-CB 3.63Å; L391-P397 HydrophobicContact CD1-CG 4.33Å; L391-A401 HydrophobicContact CD1-CB 4.2Å; L391-I402 HydrophobicContact CD1-CG1 4.21Å; L391-T405 HydrophobicContact CD1-CG2 4.4Å; L391-T405 HydrophobicContact CD2-CG2 3.85Å; L391-T405 HydrophobicContact CG-CG2 3.89Å; L391-C454 HydrophobicContact CD1-CB 4.03Å; L391-C454 HydrophobicContact CD2-CB 4.02Å
392R84.6Confident91Very high160 Ų16066.6 Ų66.660%0.60435%0.349SS*.PPolyproline II helixtrans-88.9137.1177.7-68.1178.1174.2-169.6-2.3110.4H394 L395R392-H394 VanDerWaalsContact CB-CE1 3.48Å; R392-H394 WeakPolarHBondContact CB-CE1 3.34Å; R392-H394 VanDerWaalsContact CB-ND1 3.34Å; R392-H394 WeakPolarHBondContact CB-ND1 3.44Å; R392-H394 VanDerWaalsContact CD-CE1 3.46Å; R392-H394 WeakPolarHBondContact CD-CE1 3.39Å; R392-H394 PolarHBondContact O-N 2.84Å; R392-H394 VanDerWaalsContact O-N 3.1Å; R392-L395 WeakPolarHBondContact O-CB 3.27Å; R392-L395 PolarHBondContact O-N 2.95Å
393S82.2Confident90.9Very high110 Ų11068.2 Ų68.277%0.76936%0.359SS*.G310 helixtrans-49.1-39-179.550.20000114.6L395 E396S393-L395 PolarHBondContact O-N 2.97Å; S393-E396 PolarHBondContact O-N 3.33Å
394H83.9Confident90.8Very high123 Ų12368.6 Ų68.657%0.56936%0.358SS*.G310 helixtrans-63.9-5.9178.774.1-11.6000115.6R392 E396R392-H394 VanDerWaalsContact CB-CE1 3.48Å; R392-H394 WeakPolarHBondContact CB-CE1 3.34Å; R392-H394 VanDerWaalsContact CB-ND1 3.34Å; R392-H394 WeakPolarHBondContact CB-ND1 3.44Å; R392-H394 VanDerWaalsContact CD-CE1 3.46Å; R392-H394 WeakPolarHBondContact CD-CE1 3.39Å; R392-H394 PolarHBondContact O-N 2.84Å; R392-H394 VanDerWaalsContact O-N 3.1Å; H394-E396 VanDerWaalsContact C-N 3.31Å
395L86.8Confident90.6Very high14 Ų1464.4 Ų64.47%0.07334%0.339CS..G310 helixtrans-92.27.8173.7-60.7176.9000112.3C354 R392 S393 P397 G453 C454C354-L395 HydrophobicContact CB-CD1 4.37Å; C354-L395 HydrophobicContact CB-CD2 4.44Å; C354-L395 WeakPolarHBondContact O-CD2 3.32Å; R392-L395 WeakPolarHBondContact O-CB 3.27Å; R392-L395 PolarHBondContact O-N 2.95Å; S393-L395 PolarHBondContact O-N 2.97Å; L395-P397 VanDerWaalsContact C-CD 3.41Å; L395-P397 VanDerWaalsContact C-N 3.28Å; L395-P397 VanDerWaalsContact O-N 3.12Å; L395-G453 WeakPolarHBondContact O-CA 3.17Å; L395-C454 PolarHBondContact O-N 3.21Å
396E88.6Confident90.7Very high88 Ų8865.8 Ų65.841%0.41134%0.34SS..  trans38.750.9-175.8-62.3179.7163.600113S393 H394 K424 R455S393-E396 PolarHBondContact O-N 3.33Å; H394-E396 VanDerWaalsContact C-N 3.31Å; E396-K424 IonicContact OE1-NZ 2.85Å; E396-K424 PolarHBondContact OE1-NZ 3.02Å; E396-K424 WeakPolarHBondContact OE2-CE 3.43Å; E396-K424 IonicContact OE2-NZ 3.3Å; E396-K424 PolarHBondContact OE2-NZ 3.47Å; E396-R455 PolarHBondContact O-NH2 3.04Å
397P90.1Very high90.8Very high27 Ų2767.7 Ų67.718%0.17535%0.346CS..  trans-73.3144.3-171.932.5-36.5000111.3L391 L395 A401 I402L391-P397 HydrophobicContact CB-CB 4.33Å; L391-P397 HydrophobicContact CB-CG 4.15Å; L391-P397 HydrophobicContact CD1-CB 3.63Å; L391-P397 HydrophobicContact CD1-CG 4.33Å; L395-P397 VanDerWaalsContact C-CD 3.41Å; L395-P397 VanDerWaalsContact C-N 3.28Å; L395-P397 VanDerWaalsContact O-N 3.12Å; P397-A401 HydrophobicContact CB-CB 4.4Å; P397-I402 HydrophobicContact CB-CG1 4.11Å; P397-I402 HydrophobicContact CG-CD1 4.21Å; P397-I402 HydrophobicContact CG-CG1 4.09Å
398T92.3Very high90.9Very high49 Ų4968.8 Ų68.830%0.30135%0.352SS..  trans-74158.5172.761.80000110.8H400 A401 I402T398-H400 PolarHBondContact O-N 3.06Å; T398-A401 PolarHBondContact O-N 3.33Å; T398-A401 WeakPolarHBondContact OG1-CB 3.23Å; T398-A401 PolarHBondContact OG1-N 2.73Å; T398-I402 WeakPolarHBondContact O-CG1 3.36Å; T398-I402 PolarHBondContact O-N 3.2Å
399N93.6Very high91Very high138 Ų13869.7 Ų69.774%0.73836%0.362SS*.Hα-helixtrans-55.3-35.1169.9-68-9.4000111.6I402 I403N399-I402 PolarHBondContact O-N 2.86Å; N399-I403 WeakPolarHBondContact O-CG1 3.21Å; N399-I403 PolarHBondContact O-N 3.08Å
400H94.1Very high91.3Very high130 Ų13072 Ų7260%0.60238%0.376SS*.Hα-helixtrans-59.7-53.2172.1-177.1-90.3000111.7T398 I402 I403 Q404T398-H400 PolarHBondContact O-N 3.06Å; H400-I402 VanDerWaalsContact C-N 3.3Å; H400-I402 PolarHBondContact O-N 2.94Å; H400-I403 PolarHBondContact O-N 2.03Å; H400-Q404 PolarHBondContact CE1-OE1 2.82Å; H400-Q404 PolarHBondContact ND1-OE1 2.96Å; H400-Q404 VanDerWaalsContact O-CB 3.28Å; H400-Q404 WeakPolarHBondContact O-CB 3.44Å; H400-Q404 PolarHBondContact O-N 2.86Å
401A94.2Very high91.4Very high0 Ų071.5 Ų71.50%037%0.368CS..Hα-helixtrans-61.1-37.7179.500000112.6L391 P397 T398 T405 S418 C454L391-A401 HydrophobicContact CD1-CB 4.2Å; P397-A401 HydrophobicContact CB-CB 4.4Å; T398-A401 PolarHBondContact O-N 3.33Å; T398-A401 WeakPolarHBondContact OG1-CB 3.23Å; T398-A401 PolarHBondContact OG1-N 2.73Å; A401-T405 WeakPolarHBondContact O-CB 3.43Å; A401-T405 PolarHBondContact O-N 2.86Å; A401-T405 PolarHBondContact O-OG1 2.73Å; A401-S418 WeakPolarHBondContact CA-OG 3.15Å; A401-S418 PolarHBondContact O-OG 2.86Å; A401-C454 WeakPolarHBondContact CB-O 3.35Å
402I94.1Very high91.6Very high62 Ų6274.6 Ų74.632%0.31839%0.39SS..Hα-helixtrans-62.1-49.8175.3-65.7166.4000110.8L391 P397 T398 N399 H400 L406L391-I402 HydrophobicContact CD1-CG1 4.21Å; P397-I402 HydrophobicContact CB-CG1 4.11Å; P397-I402 HydrophobicContact CG-CD1 4.21Å; P397-I402 HydrophobicContact CG-CG1 4.09Å; T398-I402 WeakPolarHBondContact O-CG1 3.36Å; T398-I402 PolarHBondContact O-N 3.2Å; N399-I402 PolarHBondContact O-N 2.86Å; H400-I402 VanDerWaalsContact C-N 3.3Å; H400-I402 PolarHBondContact O-N 2.94Å; I402-L406 WeakPolarHBondContact O-CB 3.36Å; I402-L406 PolarHBondContact O-N 3.09Å
403I94.8Very high91.9Very high96 Ų9670.6 Ų70.649%0.49240%0.398SS..Hα-helixtrans-68.1-45-179.6-66-65.3000111.4N399 H400 T405 L406 M407N399-I403 WeakPolarHBondContact O-CG1 3.21Å; N399-I403 PolarHBondContact O-N 3.08Å; H400-I403 PolarHBondContact O-N 2.03Å; I403-T405 PolarHBondContact O-N 2.78Å; I403-L406 PolarHBondContact O-N 3.34Å; I403-M407 HydrophobicContact CG2-CG 4.47Å; I403-M407 HydrophobicContact CG2-SD 3.95Å; I403-M407 WeakPolarHBondContact O-CB 3.1Å; I403-M407 WeakPolarHBondContact O-CG 3.46Å; I403-M407 PolarHBondContact O-N 3.24Å
404Q94.5Very high92.5Very high31 Ų3169.2 Ų69.215%0.14539%0.389CS..Hα-helixtrans-60-45176.3-179.4-175.4-11.300111.4H400 M407 N408 T415 P416 P417 S418H400-Q404 PolarHBondContact CE1-OE1 2.82Å; H400-Q404 PolarHBondContact ND1-OE1 2.96Å; H400-Q404 VanDerWaalsContact O-CB 3.28Å; H400-Q404 WeakPolarHBondContact O-CB 3.44Å; H400-Q404 PolarHBondContact O-N 2.86Å; Q404-M407 PolarHBondContact O-N 2.71Å; Q404-N408 VanDerWaalsContact O-CB 3.3Å; Q404-N408 WeakPolarHBondContact O-CB 3.12Å; Q404-N408 PolarHBondContact O-N 2.84Å; Q404-T415 HydrophobicContact CG-CG2 4.06Å; Q404-P416 WeakPolarHBondContact CG-O 3Å; Q404-P416 PolarHBondContact NE2-O 3.26Å; Q404-P417 PolarHBondContact NE2-O 2.88Å; Q404-S418 PolarHBondContact OE1-OG 2.03Å
405T92.9Very high92.9Very high0 Ų064.2 Ų64.20%037%0.367CS..Hα-helixtrans-66.5-37.1177.5-66.60000112C387 F389 L391 A401 I403 S409 S418C387-T405 WeakPolarHBondContact O-CG2 3.34Å; F389-T405 HydrophobicContact CB-CG2 3.87Å; F389-T405 HydrophobicContact CD2-CG2 4.43Å; L391-T405 HydrophobicContact CD1-CG2 4.4Å; L391-T405 HydrophobicContact CD2-CG2 3.85Å; L391-T405 HydrophobicContact CG-CG2 3.89Å; A401-T405 WeakPolarHBondContact O-CB 3.43Å; A401-T405 PolarHBondContact O-N 2.86Å; A401-T405 PolarHBondContact O-OG1 2.73Å; I403-T405 PolarHBondContact O-N 2.78Å; T405-S409 WeakPolarHBondContact O-CB 3.18Å; T405-S409 PolarHBondContact O-N 2.94Å; T405-S418 WeakPolarHBondContact OG1-CB 3.44Å; T405-S418 PolarHBondContact OG1-OG 3.07Å
406L94.2Very high93.2Very high56 Ų5667.7 Ų67.729%0.29339%0.39SS..Hα-helixtrans-63.4-48.8172.2174.658.8000111.1F389 I402 I403 S409 M410F389-L406 HydrophobicContact CD1-CD1 4.43Å; F389-L406 HydrophobicContact CD2-CB 3.86Å; F389-L406 HydrophobicContact CD2-CD1 4.12Å; F389-L406 HydrophobicContact CE1-CD1 4.2Å; F389-L406 HydrophobicContact CE2-CB 3.9Å; F389-L406 HydrophobicContact CE2-CD1 3.89Å; F389-L406 HydrophobicContact CE2-CG 4.33Å; F389-L406 HydrophobicContact CG-CD1 4.4Å; F389-L406 HydrophobicContact CZ-CD1 3.93Å; I402-L406 WeakPolarHBondContact O-CB 3.36Å; I402-L406 PolarHBondContact O-N 3.09Å; I403-L406 PolarHBondContact O-N 3.34Å; L406-S409 PolarHBondContact O-N 3.2Å; L406-S409 VanDerWaalsContact O-N 3.1Å; L406-S409 PolarHBondContact O-OG 2.81Å; L406-M410 HydrophobicContact CG-CE 4.24Å; L406-M410 PolarHBondContact O-N 2.03Å
407M95Very high93.4Very high88 Ų8866.8 Ų66.843%0.43339%0.392SS..Hα-helixtrans-61.5-45.2177.8-74.7177.164.500112.3I403 Q404 S409 M410 D411 T415I403-M407 HydrophobicContact CG2-CG 4.47Å; I403-M407 HydrophobicContact CG2-SD 3.95Å; I403-M407 WeakPolarHBondContact O-CB 3.1Å; I403-M407 WeakPolarHBondContact O-CG 3.46Å; I403-M407 PolarHBondContact O-N 3.24Å; Q404-M407 PolarHBondContact O-N 2.71Å; M407-S409 PolarHBondContact O-N 3.19Å; M407-M410 HydrophobicContact CG-CE 4.22Å; M407-M410 PolarHBondContact O-N 3.44Å; M407-D411 PolarHBondContact O-N 2.97Å; M407-T415 HydrophobicContact CB-CG2 3.79Å
408N94.6Very high93.5Very high26 Ų2665.8 Ų65.814%0.13939%0.385CS..Hα-helixtrans-60.1-31.6172.5175.1-102.8000112.9Q404 M410 D411 P412 T415Q404-N408 VanDerWaalsContact O-CB 3.3Å; Q404-N408 WeakPolarHBondContact O-CB 3.12Å; Q404-N408 PolarHBondContact O-N 2.84Å; N408-M410 VanDerWaalsContact C-N 3.32Å; N408-D411 CarbonylContact O-C 3.57Å; N408-P412 WeakPolarHBondContact O-CA 3.15Å; N408-P412 WeakPolarHBondContact O-CB 3Å; N408-P412 VanDerWaalsContact O-CD 3.31Å; N408-P412 WeakPolarHBondContact O-CD 3.46Å; N408-P412 VanDerWaalsContact O-N 3.16Å; N408-T415 HydrophobicContact CB-CG2 4.21Å; N408-T415 PolarHBondContact ND2-O 2.88Å
409S93.6Very high93.7Very high63 Ų6367.2 Ų67.244%0.44140%0.396SS..Hα-helixtrans-74.1-20.5175.1780000114.2T405 L406 M407T405-S409 WeakPolarHBondContact O-CB 3.18Å; T405-S409 PolarHBondContact O-N 2.94Å; L406-S409 PolarHBondContact O-N 3.2Å; L406-S409 VanDerWaalsContact O-N 3.1Å; L406-S409 PolarHBondContact O-OG 2.81Å; M407-S409 PolarHBondContact O-N 3.19Å
410M94.5Very high93.8Very high137 Ų13761.8 Ų61.868%0.67537%0.369SS*.Hα-helixtrans-90.9-44.8174.9-63.9-174.7-64.800111.8L406 M407 N408L406-M410 HydrophobicContact CG-CE 4.24Å; L406-M410 PolarHBondContact O-N 2.03Å; M407-M410 HydrophobicContact CG-CE 4.22Å; M407-M410 PolarHBondContact O-N 3.44Å; N408-M410 VanDerWaalsContact C-N 3.32Å
411D93.2Very high93.9Very high76 Ų7657.9 Ų57.941%0.40636%0.355SS..  trans-141.593.9174.6-179.812.8000111.5M407 N408 G413 S414 T415M407-D411 PolarHBondContact O-N 2.97Å; N408-D411 CarbonylContact O-C 3.57Å; D411-G413 PolarHBondContact O-N 2.93Å; D411-G413 WeakPolarHBondContact OD1-CA 3.38Å; D411-G413 PolarHBondContact OD1-N 3.06Å; D411-S414 PolarHBondContact O-N 3.32Å; D411-S414 PolarHBondContact OD1-N 2.72Å; D411-S414 WeakPolarHBondContact OD2-CB 3.46Å; D411-S414 PolarHBondContact OD2-N 3.47Å; D411-S414 PolarHBondContact OD2-OG 3.49Å; D411-T415 PolarHBondContact O-N 2.9Å
412P90.9Very high94Very high93 Ų9360.7 Ų60.760%0.60437%0.373SS*.THydrogen-bonded Turntrans-75.1-1.6175.331.4-35000113.3N408N408-P412 WeakPolarHBondContact O-CA 3.15Å; N408-P412 WeakPolarHBondContact O-CB 3Å; N408-P412 VanDerWaalsContact O-CD 3.31Å; N408-P412 WeakPolarHBondContact O-CD 3.46Å; N408-P412 VanDerWaalsContact O-N 3.16Å
413G92.8Very high94Very high75 Ų7559.5 Ų59.577%0.77337%0.368SS*.THydrogen-bonded Turntrans-86-28.9174.600000113.6D411D411-G413 PolarHBondContact O-N 2.93Å; D411-G413 WeakPolarHBondContact OD1-CA 3.38Å; D411-G413 PolarHBondContact OD1-N 3.06Å
414S94.1Very high94Very high82 Ų8259 Ų5957%0.57336%0.363SS*.THydrogen-bonded Turntrans-101.7-29.7175.961.10000114.1D411D411-S414 PolarHBondContact O-N 3.32Å; D411-S414 PolarHBondContact OD1-N 2.72Å; D411-S414 WeakPolarHBondContact OD2-CB 3.46Å; D411-S414 PolarHBondContact OD2-N 3.47Å; D411-S414 PolarHBondContact OD2-OG 3.49Å
415T92.9Very high94Very high18 Ų1860.7 Ų60.711%0.1137%0.372CS..SBendtrans-113.8125.5-175.9-530000111.7Q404 M407 N408 D411Q404-T415 HydrophobicContact CG-CG2 4.06Å; M407-T415 HydrophobicContact CB-CG2 3.79Å; N408-T415 HydrophobicContact CB-CG2 4.21Å; N408-T415 PolarHBondContact ND2-O 2.88Å; D411-T415 PolarHBondContact O-N 2.9Å
416P93.3Very high93.9Very high86 Ų8663.3 Ų63.356%0.55839%0.388SS*.PPolyproline II helixtrans-71.7148.4175.130.1-34.4000111.8Q404Q404-P416 WeakPolarHBondContact CG-O 3Å; Q404-P416 PolarHBondContact NE2-O 3.26Å
417P91Very high93.8Very high69 Ų6962 Ų6245%0.44838%0.383SS..PPolyproline II helixtrans-67.4151.8175.330.3-35.5000111.6Q404Q404-P417 PolarHBondContact NE2-O 2.88Å
418S94Very high93.6Very high6 Ų658.5 Ų58.54%0.04237%0.366CS..PPolyproline II helixtrans-66.3149.2168.9-69.30000111.3C387 A401 Q404 T405 R455C387-S418 WeakPolarHBondContact CB-O 3.33Å; A401-S418 WeakPolarHBondContact CA-OG 3.15Å; A401-S418 PolarHBondContact O-OG 2.86Å; Q404-S418 PolarHBondContact OE1-OG 2.03Å; T405-S418 WeakPolarHBondContact OG1-CB 3.44Å; T405-S418 PolarHBondContact OG1-OG 3.07Å; S418-R455 CarbonylContact C-O 3.57Å; S418-R455 WeakPolarHBondContact CA-O 3.03Å; S418-R455 VanDerWaalsContact CB-O 3.26Å; S418-R455 WeakPolarHBondContact CB-O 3.44Å
419C94.8Very high93.5Very high79 Ų7957.3 Ų57.353%0.53436%0.36SS..PPolyproline II helixtrans-91.6141.9-173.9-70.30000111.8V421 C454 R455C419-V421 HydrophobicContact CB-CG1 3.92Å; C419-C454 WeakPolarHBondContact O-CA 3.4Å; C419-R455 PolarHBondContact N-O 3.45Å; C419-R455 PolarHBondContact O-N 3.41Å
420C95.7Very high93.5Very high25 Ų2554.3 Ų54.317%0.16934%0.339CS..EExtended strand (participates in β ladder)trans-82.6112168.5-175.10000109.3C354 G385 G453C354-C420 WeakPolarHBondContact CA-SG 3.3Å; C354-C420 HydrophobicContact CB-CB 3.61Å; C354-C420 WeakPolarHBondContact CB-SG 3.02Å; C354-C420 WeakPolarHBondContact SG-CA 3.23Å; C354-C420 WeakPolarHBondContact SG-CB 3Å; C354-C420 CovalentContact SG-SG 2.03Å; C354-C420 PolarHBondContact SG-SG 2.77Å; G385-C420 WeakPolarHBondContact O-CB 3.49Å; C420-G453 WeakPolarHBondContact CA-O 3.34Å
421V96.8Very high93.6Very high48 Ų4847.8 Ų47.829%0.29131%0.307SS..EExtended strand (participates in β ladder)trans-136.9159.1-172-64.80000111.5C419 T423 C452 G453 R455C419-V421 HydrophobicContact CB-CG1 3.92Å; V421-T423 PolarHBondContact O-N 2.82Å; V421-C452 WeakPolarHBondContact O-CA 3.45Å; V421-G453 PolarHBondContact N-O 2.81Å; V421-G453 PolarHBondContact O-N 3.03Å; V421-R455 HydrophobicContact CG2-CB 3.79Å; V421-R455 HydrophobicContact CG2-CG 3.49Å; V421-R455 VanDerWaalsContact CG2-CG 3.49Å
422P96.5Very high93.6Very high59 Ų5944.8 Ų44.838%0.38329%0.29SS..EExtended strand (participates in β ladder)trans-57.3137.5169.1-23.234.3000111C383 L425 V449C383-P422 VanDerWaalsContact SG-CA 3.52Å; P422-L425 HydrophobicContact CB-CD1 4.4Å; P422-L425 HydrophobicContact CB-CD2 3.87Å; P422-L425 HydrophobicContact CB-CG 4.05Å; P422-L425 HydrophobicContact CG-CD2 4.34Å; P422-V449 HydrophobicContact CB-CG1 4.3Å; P422-V449 HydrophobicContact CB-CG2 4.28Å; P422-V449 HydrophobicContact CG-CG2 3.93Å
423T94.6Very high93.7Very high36 Ų3641.8 Ų41.822%0.22127%0.269CS..EExtended strand (participates in β ladder)trans-115.7-23.3175.543.10000112.9V421 S451V421-T423 PolarHBondContact O-N 2.82Å; T423-S451 PolarHBondContact N-O 3.3Å; T423-S451 PolarHBondContact OG1-O 3.26Å; T423-S451 PolarHBondContact OG1-OG 2.98Å; T423-S451 VanDerWaalsContact OG1-OG 3.06Å
424K94.3Very high93.6Very high86 Ų8638.8 Ų38.837%0.37424%0.235SC..EExtended strand (participates in β ladder)trans-139.8133.5168.8-57.1171.4-168.71620108E396 E450 S451E396-K424 IonicContact OE1-NZ 2.85Å; E396-K424 PolarHBondContact OE1-NZ 3.02Å; E396-K424 WeakPolarHBondContact OE2-CE 3.43Å; E396-K424 IonicContact OE2-NZ 3.3Å; E396-K424 PolarHBondContact OE2-NZ 3.47Å; K424-E450 HydrophobicContact CB-CB 4.05Å; K424-E450 WeakPolarHBondContact CB-OE2 3.47Å; K424-E450 WeakPolarHBondContact O-CB 3.42Å; K424-E450 PolarHBondContact O-N 2.85Å; K424-S451 WeakPolarHBondContact CB-OG 3.38Å; K424-S451 WeakPolarHBondContact CG-OG 3.38Å; K424-S451 PolarHBondContact N-OG 2.95Å; K424-S451 PolarHBondContact O-N 2.67Å
425L93.6Very high93.3Very high66 Ų6637.5 Ų37.535%0.34623%0.229SC..EExtended strand (participates in β ladder)trans-122.5148.6177.5-65.6154.8000107.9P422 D446 V448 V449P422-L425 HydrophobicContact CB-CD1 4.4Å; P422-L425 HydrophobicContact CB-CD2 3.87Å; P422-L425 HydrophobicContact CB-CG 4.05Å; P422-L425 HydrophobicContact CG-CD2 4.34Å; L425-D446 HydrophobicContact CB-CB 4.41Å; L425-D446 HydrophobicContact CD1-CB 3.96Å; L425-V448 CarbonylContact C-O 3.58Å; L425-V448 WeakPolarHBondContact CA-O 3.43Å; L425-V449 HydrophobicContact CD2-CB 4.48Å; L425-V449 HydrophobicContact CD2-CG2 3.91Å
426T92.1Very high93Very high55 Ų5537.5 Ų37.534%0.33723%0.233SC..EExtended strand (participates in β ladder)trans-115.4150.5174.349.10000110.7M447 V448 E450T426-M447 PolarHBondContact O-N 3.5Å; T426-V448 PolarHBondContact N-O 2.87Å; T426-V448 PolarHBondContact O-N 3.2Å; T426-V448 WeakPolarHBondContact OG1-CB 3.28Å; T426-E450 HydrophobicContact CG2-CB 4.27Å
427P91.3Very high92.9Very high29 Ų2937.9 Ų37.919%0.18823%0.23CC..EExtended strand (participates in β ladder)trans-67.2168.717428.9-36.1000112.3Q443 Y444P427-Q443 HydrophobicContact CB-CG 3.74Å; P427-Q443 HydrophobicContact CG-CG 4.37Å; P427-Y444 CarbonylContact C-O 3.56Å; P427-Y444 WeakPolarHBondContact CA-O 3.43Å; P427-Y444 WeakPolarHBondContact CB-O 3.31Å
428I91.8Very high92.9Very high14 Ų1435.1 Ų35.17%0.07221%0.211CC..EExtended strand (participates in β ladder)trans-128.3144.7157.466.8177.4000111.8E109 Y378 I430 Y444 M447 V448E109-I428 WeakPolarHBondContact OE1-CA 3.45Å; Y378-I428 HydrophobicContact CD1-CD1 3.98Å; Y378-I428 HydrophobicContact CD2-CD1 4.03Å; Y378-I428 HydrophobicContact CD2-CG2 4.16Å; Y378-I428 HydrophobicContact CE1-CD1 3.84Å; Y378-I428 HydrophobicContact CE2-CD1 3.9Å; Y378-I428 HydrophobicContact CE2-CG2 4.38Å; Y378-I428 HydrophobicContact CG-CD1 4.08Å; I428-I430 HydrophobicContact CD1-CD1 4.03Å; I428-I430 HydrophobicContact CD1-CG1 4.14Å; I428-I430 HydrophobicContact CG1-CD1 4.25Å; I428-I430 HydrophobicContact CG1-CG1 4.06Å; I428-Y444 PolarHBondContact N-O 3.1Å; I428-Y444 PolarHBondContact O-N 3.48Å; I428-M447 HydrophobicContact CB-CB 4.47Å; I428-M447 HydrophobicContact CD1-CB 4.19Å; I428-M447 HydrophobicContact CD1-CE 3.68Å; I428-M447 HydrophobicContact CD1-CG 4.45Å; I428-M447 HydrophobicContact CG1-CB 3.82Å; I428-M447 HydrophobicContact CG1-CE 4.19Å; I428-M447 HydrophobicContact CG1-CG 4.01Å; I428-M447 HydrophobicContact CG2-CB 4.19Å; I428-V448 HydrophobicContact CG2-CB 4.5Å; I428-V448 HydrophobicContact CG2-CG2 3.42Å; I428-V448 VanDerWaalsContact CG2-CG2 3.42Å
429S92.5Very high93Very high2 Ų235.1 Ų35.11%0.01421%0.211CC..EExtended strand (participates in β ladder)trans-79.5130.9167.7-66.50000111.2E109 P375 Y441E109-S429 PolarHBondContact OE1-N 3.36Å; E109-S429 PolarHBondContact OE1-OG 3.27Å; E109-S429 PolarHBondContact OE2-N 2.85Å; E109-S429 PolarHBondContact OE2-OG 2.78Å; P375-S429 WeakPolarHBondContact CD-O 3.45Å; S429-Y441 PolarHBondContact OG-OH 3.31Å
430I93.6Very high92.9Very high0 Ų031.5 Ų31.50%019%0.187CC..EExtended strand (participates in β ladder)trans-127.6142.9174.4-53-175.6000109.8L289 F363 I372 A374 I428 Y432 Y441 K442 Y444L289-I430 HydrophobicContact CD1-CD1 4.33Å; L289-I430 HydrophobicContact CD2-CD1 4.18Å; F363-I430 HydrophobicContact CZ-CD1 4.34Å; I372-I430 HydrophobicContact CG2-CG2 4.13Å; A374-I430 CarbonylContact O-C 3.58Å; A374-I430 WeakPolarHBondContact O-CA 3.42Å; I428-I430 HydrophobicContact CD1-CD1 4.03Å; I428-I430 HydrophobicContact CD1-CG1 4.14Å; I428-I430 HydrophobicContact CG1-CD1 4.25Å; I428-I430 HydrophobicContact CG1-CG1 4.06Å; I430-Y432 HydrophobicContact CG2-CD1 4.2Å; I430-Y441 CarbonylContact O-C 3.53Å; I430-Y441 WeakPolarHBondContact O-CA 3.09Å; I430-K442 PolarHBondContact N-O 3.1Å; I430-K442 PolarHBondContact O-N 3.01Å; I430-Y444 HydrophobicContact CB-CD2 4.22Å; I430-Y444 HydrophobicContact CB-CE2 4.23Å; I430-Y444 HydrophobicContact CD1-CD2 3.62Å; I430-Y444 HydrophobicContact CD1-CE2 3.96Å; I430-Y444 HydrophobicContact CG1-CD2 3.93Å; I430-Y444 HydrophobicContact CG1-CE2 4.35Å
431L95.3Very high92.9Very high0 Ų030.5 Ų30.50%018%0.179CC..EExtended strand (participates in β ladder)trans-119.4124.6170.4-173.675.8000108.7M98 L99 Y102 I373 A374 V439 V440M98-L431 HydrophobicContact CB-CD1 4.41Å; L99-L431 HydrophobicContact CD2-CD2 3.7Å; Y102-L431 HydrophobicContact CD2-CB 3.73Å; Y102-L431 HydrophobicContact CE2-CB 4.44Å; Y102-L431 HydrophobicContact CG-CB 3.94Å; Y102-L431 HydrophobicContact CG-CD2 4.36Å; I373-L431 WeakPolarHBondContact CA-O 3.39Å; I373-L431 HydrophobicContact CB-CB 4.48Å; I373-L431 HydrophobicContact CB-CD2 4.16Å; I373-L431 HydrophobicContact CB-CG 4.25Å; I373-L431 WeakPolarHBondContact CB-O 2.92Å; I373-L431 HydrophobicContact CD1-CD2 4.21Å; I373-L431 HydrophobicContact CD1-CG 3.99Å; I373-L431 HydrophobicContact CG2-CD2 3.9Å; I373-L431 PolarHBondContact N-O 2.86Å; A374-L431 HydrophobicContact CB-CB 4.5Å; A374-L431 PolarHBondContact N-O 2.83Å; A374-L431 VanDerWaalsContact N-O 3.07Å; A374-L431 PolarHBondContact O-N 2.91Å; L431-V439 HydrophobicContact CD1-CG1 3.64Å; L431-V439 HydrophobicContact CG-CG1 4.08Å; L431-V440 CarbonylContact C-O 3.54Å; L431-V440 WeakPolarHBondContact CA-O 3.4Å
432Y94.3Very high92.6Very high13 Ų1328.4 Ų28.45%0.05117%0.166CC..EExtended strand (participates in β ladder)trans-146.1173.4-174.767-85.2000112.9W371 I430 V439 V440 K442 Y444W371-Y432 HydrophobicContact CE3-CD2 4.01Å; W371-Y432 HydrophobicContact CE3-CG 4.21Å; W371-Y432 HydrophobicContact CZ3-CD2 4.1Å; W371-Y432 HydrophobicContact CZ3-CG 4.17Å; W371-Y432 CarbonylContact O-C 3.52Å; W371-Y432 VanDerWaalsContact O-CA 3.23Å; W371-Y432 WeakPolarHBondContact O-CA 3.48Å; W371-Y432 WeakPolarHBondContact O-CB 3.46Å; I430-Y432 HydrophobicContact CG2-CD1 4.2Å; Y432-V439 WeakPolarHBondContact O-CA 3.34Å; Y432-V440 HydrophobicContact CD1-CB 4.24Å; Y432-V440 HydrophobicContact CD2-CB 4.34Å; Y432-V440 HydrophobicContact CE1-CB 3.85Å; Y432-V440 HydrophobicContact CE1-CG1 3.75Å; Y432-V440 HydrophobicContact CE2-CB 3.95Å; Y432-V440 HydrophobicContact CE2-CG1 4.36Å; Y432-V440 HydrophobicContact CE2-CG2 4.16Å; Y432-V440 HydrophobicContact CG-CB 4.48Å; Y432-V440 PolarHBondContact N-O 3.35Å; Y432-V440 PolarHBondContact O-N 3.49Å; Y432-K442 HydrophobicContact CE1-CB 3.95Å; Y432-Y444 HydrophobicContact CE1-CE2 4.41Å
433I93.1Very high92.3Very high30 Ų3027.7 Ų27.715%0.15416%0.158CC..EExtended strand (participates in β ladder)trans-104.8133.7175.6-56.7161.3000108.4V92 W371 I373 N438V92-I433 HydrophobicContact CB-CD1 3.96Å; V92-I433 HydrophobicContact CB-CG1 4.28Å; V92-I433 HydrophobicContact CB-CG2 4.27Å; V92-I433 HydrophobicContact CG1-CG1 4.41Å; V92-I433 HydrophobicContact CG2-CG2 3.88Å; W371-I433 PolarHBondContact O-N 2.92Å; I373-I433 HydrophobicContact CD1-CG1 3.82Å; I373-I433 HydrophobicContact CG1-CD1 4.33Å; I373-I433 HydrophobicContact CG1-CG1 4.06Å; I433-N438 CarbonylContact C-O 3.54Å; I433-N438 WeakPolarHBondContact CA-O 3Å
434D90.3Very high92Very high12 Ų1226.4 Ų26.46%0.06415%0.149CC..  trans-90.3168.7174.578.47.5000113.4M154 G436 N437 N438 V440M154-D434 WeakPolarHBondContact CB-OD2 3.39Å; M154-D434 HydrophobicContact CE-CB 4.17Å; M154-D434 WeakPolarHBondContact CG-OD2 3.26Å; D434-G436 PolarHBondContact O-N 3.17Å; D434-G436 VanDerWaalsContact O-N 3.09Å; D434-G436 VanDerWaalsContact OD1-C 3.25Å; D434-G436 WeakPolarHBondContact OD1-CA 3.41Å; D434-G436 PolarHBondContact OD1-N 3.29Å; D434-N437 WeakPolarHBondContact O-CA 3.18Å; D434-N437 PolarHBondContact O-N 2.89Å; D434-N437 PolarHBondContact OD1-N 3.15Å; D434-N438 PolarHBondContact N-O 3.48Å; D434-N438 WeakPolarHBondContact OD1-CB 3.45Å; D434-N438 PolarHBondContact OD1-N 3.42Å; D434-N438 PolarHBondContact OD1-ND2 2.82Å; D434-N438 PolarHBondContact OD2-ND2 2.88Å; D434-V440 HydrophobicContact CB-CG2 4.06Å
435A87.8Confident91.8Very high55 Ų5526.2 Ų26.246%0.45515%0.15SC..THydrogen-bonded Turntrans-59-17.7174.900000114.6M154 N437M154-A435 HydrophobicContact CE-CB 4.12Å; A435-N437 VanDerWaalsContact C-N 3.29Å
436G87Confident91.7Very high18 Ų1826.9 Ų26.919%0.18615%0.153CC..THydrogen-bonded Turntrans-83.70171.200000114.1D434 N438D434-G436 PolarHBondContact O-N 3.17Å; D434-G436 VanDerWaalsContact O-N 3.09Å; D434-G436 VanDerWaalsContact OD1-C 3.25Å; D434-G436 WeakPolarHBondContact OD1-CA 3.41Å; D434-G436 PolarHBondContact OD1-N 3.29Å; G436-N438 VanDerWaalsContact C-N 3.26Å
437N90.3Very high91.7Very high93 Ų9326 Ų2650%0.49715%0.146SC..SBendtrans65.822.6-172.1-62.3-99.8000114V92 D434 A435V92-N437 HydrophobicContact CG2-CB 3.71Å; D434-N437 WeakPolarHBondContact O-CA 3.18Å; D434-N437 PolarHBondContact O-N 2.89Å; D434-N437 PolarHBondContact OD1-N 3.15Å; A435-N437 VanDerWaalsContact C-N 3.29Å
438N92.5Very high91.9Very high12 Ų1225.6 Ų25.66%0.06414%0.143CC..  trans-86.9150.8173-47.9-64.6000110T128 S129 F130 I433 D434 G436T128-N438 HydrophobicContact CG2-CB 3.95Å; S129-N438 WeakPolarHBondContact O-CB 3.11Å; F130-N438 HydrophobicContact CD1-CB 4.37Å; F130-N438 WeakPolarHBondContact CD1-OD1 3.03Å; F130-N438 HydrophobicContact CE1-CB 4.42Å; I433-N438 CarbonylContact C-O 3.54Å; I433-N438 WeakPolarHBondContact CA-O 3Å; D434-N438 PolarHBondContact N-O 3.48Å; D434-N438 WeakPolarHBondContact OD1-CB 3.45Å; D434-N438 PolarHBondContact OD1-N 3.42Å; D434-N438 PolarHBondContact OD1-ND2 2.82Å; D434-N438 PolarHBondContact OD2-ND2 2.88Å; G436-N438 VanDerWaalsContact C-N 3.26Å
439V94.6Very high92.1Very high5 Ų525.4 Ų25.43%0.0314%0.142CC..EExtended strand (participates in β ladder)trans-91.4128.3171.6174.70000109.6V92 P94 M98 S129 I373 L431 Y432V92-V439 HydrophobicContact CG1-CG2 3.79Å; P94-V439 HydrophobicContact CB-CG1 4.45Å; P94-V439 HydrophobicContact CB-CG2 4.14Å; P94-V439 HydrophobicContact CG-CG2 4.32Å; M98-V439 HydrophobicContact CB-CG1 4.07Å; M98-V439 HydrophobicContact CG-CG1 4.36Å; S129-V439 PolarHBondContact N-O 3.47Å; S129-V439 PolarHBondContact OG-O 3.34Å; I373-V439 HydrophobicContact CD1-CG1 3.84Å; I373-V439 HydrophobicContact CD1-CG2 4.09Å; L431-V439 HydrophobicContact CD1-CG1 3.64Å; L431-V439 HydrophobicContact CG-CG1 4.08Å; Y432-V439 WeakPolarHBondContact O-CA 3.34Å
440V93.9Very high92.2Very high4 Ų430.3 Ų30.32%0.02417%0.165CC..EExtended strand (participates in β ladder)trans-118.7124.4-177.9-173.30000109.3T126 I127 T128 L431 Y432 D434 K442T126-V440 HydrophobicContact CG2-CG1 3.94Å; I127-V440 WeakPolarHBondContact O-CA 3.39Å; T128-V440 HydrophobicContact CG2-CG2 3.97Å; L431-V440 CarbonylContact C-O 3.54Å; L431-V440 WeakPolarHBondContact CA-O 3.4Å; Y432-V440 HydrophobicContact CD1-CB 4.24Å; Y432-V440 HydrophobicContact CD2-CB 4.34Å; Y432-V440 HydrophobicContact CE1-CB 3.85Å; Y432-V440 HydrophobicContact CE1-CG1 3.75Å; Y432-V440 HydrophobicContact CE2-CB 3.95Å; Y432-V440 HydrophobicContact CE2-CG1 4.36Å; Y432-V440 HydrophobicContact CE2-CG2 4.16Å; Y432-V440 HydrophobicContact CG-CB 4.48Å; Y432-V440 PolarHBondContact N-O 3.35Å; Y432-V440 PolarHBondContact O-N 3.49Å; D434-V440 HydrophobicContact CB-CG2 4.06Å; V440-K442 HydrophobicContact CG1-CB 4.49Å
441Y93.9Very high92.3Very high3 Ų331.7 Ų31.71%0.01218%0.175CC..EExtended strand (participates in β ladder)trans-91.5136.5159.1162.8-84.2000108.5I101 Y102 Y105 T126 I127 S429 I430I101-Y441 HydrophobicContact CG2-CD1 4.23Å; I101-Y441 HydrophobicContact CG2-CD2 4.12Å; I101-Y441 HydrophobicContact CG2-CG 3.93Å; Y102-Y441 HydrophobicContact CD2-CD2 4.34Å; Y105-Y441 WeakPolarHBondContact CB-OH 3.45Å; Y105-Y441 HydrophobicContact CD1-CE1 4.22Å; Y105-Y441 AromaticContact CD1-CZ 3.93Å; Y105-Y441 HydrophobicContact CG-CE2 4.46Å; T126-Y441 CarbonylContact C-O 3.6Å; T126-Y441 WeakPolarHBondContact CA-O 3.4Å; I127-Y441 HydrophobicContact CB-CD1 4.11Å; I127-Y441 HydrophobicContact CD1-CD1 3.81Å; I127-Y441 HydrophobicContact CD1-CE1 4.21Å; I127-Y441 HydrophobicContact CG1-CD1 3.91Å; I127-Y441 PolarHBondContact N-O 3Å; I127-Y441 PolarHBondContact O-N 2.95Å; S429-Y441 PolarHBondContact OG-OH 3.31Å; I430-Y441 CarbonylContact O-C 3.53Å; I430-Y441 WeakPolarHBondContact O-CA 3.09Å
442K91.3Very high92.3Very high4 Ų432.2 Ų32.22%0.01718%0.178CC..EExtended strand (participates in β ladder)trans-148.8140.3175.5-169.3156.2-1771700112.1N125 T126 E292 I430 Y432 V440 Y444N125-K442 WeakPolarHBondContact O-CA 3.19Å; T126-K442 HydrophobicContact CG2-CD 3.97Å; T126-K442 HydrophobicContact CG2-CG 4.37Å; T126-K442 WeakPolarHBondContact OG1-CD 3.35Å; T126-K442 VanDerWaalsContact OG1-CE 3.3Å; T126-K442 WeakPolarHBondContact OG1-CE 3.37Å; E292-K442 IonicContact OE1-NZ 3.16Å; E292-K442 PolarHBondContact OE1-NZ 3.25Å; E292-K442 WeakPolarHBondContact OE2-CE 3.27Å; E292-K442 IonicContact OE2-NZ 2.86Å; E292-K442 PolarHBondContact OE2-NZ 2.88Å; I430-K442 PolarHBondContact N-O 3.1Å; I430-K442 PolarHBondContact O-N 3.01Å; Y432-K442 HydrophobicContact CE1-CB 3.95Å; V440-K442 HydrophobicContact CG1-CB 4.49Å; K442-Y444 HydrophobicContact CB-CD2 4.41Å; K442-Y444 HydrophobicContact CB-CE2 3.85Å; K442-Y444 HydrophobicContact CD-CE1 4.11Å; K442-Y444 HydrophobicContact CD-CE2 4.12Å; K442-Y444 HydrophobicContact CG-CD2 4.27Å; K442-Y444 HydrophobicContact CG-CE1 4.4Å; K442-Y444 HydrophobicContact CG-CE2 3.86Å
443Q89.5Confident92.4Very high45 Ų4531.6 Ų31.621%0.2118%0.176CC..EExtended strand (participates in β ladder)trans-96.7125.3170.5-169.3166.644.100109.7E109 N125 P427E109-Q443 PolarHBondContact OE2-NE2 3.21Å; N125-Q443 PolarHBondContact O-N 3.06Å; P427-Q443 HydrophobicContact CB-CG 3.74Å; P427-Q443 HydrophobicContact CG-CG 4.37Å
444Y90Very high92.5Very high8 Ų830.2 Ų30.23%0.03117%0.169CC..EExtended strand (participates in β ladder)trans-108.8115.4178.9-71.6-83.2000110L289 E292 P427 I428 I430 Y432 K442 M447L289-Y444 HydrophobicContact CB-CD1 4.03Å; L289-Y444 HydrophobicContact CB-CE1 4Å; L289-Y444 HydrophobicContact CD1-CD1 4.48Å; L289-Y444 HydrophobicContact CD1-CD2 4.35Å; L289-Y444 HydrophobicContact CD1-CE1 3.96Å; L289-Y444 HydrophobicContact CD1-CE2 3.79Å; E292-Y444 WeakPolarHBondContact OE2-CE1 3.45Å; E292-Y444 PolarHBondContact OE2-OH 3.43Å; P427-Y444 CarbonylContact C-O 3.56Å; P427-Y444 WeakPolarHBondContact CA-O 3.43Å; P427-Y444 WeakPolarHBondContact CB-O 3.31Å; I428-Y444 PolarHBondContact N-O 3.1Å; I428-Y444 PolarHBondContact O-N 3.48Å; I430-Y444 HydrophobicContact CB-CD2 4.22Å; I430-Y444 HydrophobicContact CB-CE2 4.23Å; I430-Y444 HydrophobicContact CD1-CD2 3.62Å; I430-Y444 HydrophobicContact CD1-CE2 3.96Å; I430-Y444 HydrophobicContact CG1-CD2 3.93Å; I430-Y444 HydrophobicContact CG1-CE2 4.35Å; Y432-Y444 HydrophobicContact CE1-CE2 4.41Å; K442-Y444 HydrophobicContact CB-CD2 4.41Å; K442-Y444 HydrophobicContact CB-CE2 3.85Å; K442-Y444 HydrophobicContact CD-CE1 4.11Å; K442-Y444 HydrophobicContact CD-CE2 4.12Å; K442-Y444 HydrophobicContact CG-CD2 4.27Å; K442-Y444 HydrophobicContact CG-CE1 4.4Å; K442-Y444 HydrophobicContact CG-CE2 3.86Å; Y444-M447 WeakPolarHBondContact O-CG 3.3Å
445E89.2Confident92.5Very high83 Ų8334.6 Ų34.639%0.38818%0.184SC..EExtended strand (participates in β ladder)trans-64.9161.1175.3-62.7-60.8160.300112.9M447E445-M447 VanDerWaalsContact C-N 3.26Å; E445-M447 WeakPolarHBondContact O-CG 3.42Å; E445-M447 PolarHBondContact O-N 2.58Å
446D90.6Very high92.8Very high79 Ų7933.6 Ų33.642%0.42217%0.171SC..EExtended strand (participates in β ladder)trans63.422.3167.6-63.4-51.2000115.2R286 L425R286-D446 IonicContact CZ-OD2 4Å; R286-D446 IonicContact NH1-OD2 2.72Å; R286-D446 PolarHBondContact NH1-OD2 3.37Å; L425-D446 HydrophobicContact CB-CB 4.41Å; L425-D446 HydrophobicContact CD1-CB 3.96Å
447M92.9Very high93.1Very high37 Ų3734.4 Ų34.418%0.18217%0.17CC..EExtended strand (participates in β ladder)trans-94.6-21.9-169.9-74.7-69.8-74.600116.5L289 Y378 T426 I428 Y444 E445L289-M447 HydrophobicContact CD2-CE 3.72Å; Y378-M447 WeakPolarHBondContact OH-CE 3.32Å; T426-M447 PolarHBondContact O-N 3.5Å; I428-M447 HydrophobicContact CB-CB 4.47Å; I428-M447 HydrophobicContact CD1-CB 4.19Å; I428-M447 HydrophobicContact CD1-CE 3.68Å; I428-M447 HydrophobicContact CD1-CG 4.45Å; I428-M447 HydrophobicContact CG1-CB 3.82Å; I428-M447 HydrophobicContact CG1-CE 4.19Å; I428-M447 HydrophobicContact CG1-CG 4.01Å; I428-M447 HydrophobicContact CG2-CB 4.19Å; Y444-M447 WeakPolarHBondContact O-CG 3.3Å; E445-M447 VanDerWaalsContact C-N 3.26Å; E445-M447 WeakPolarHBondContact O-CG 3.42Å; E445-M447 PolarHBondContact O-N 2.58Å
448V95.1Very high93.2Very high20 Ų2031.2 Ų31.212%0.12115%0.152CC..EExtended strand (participates in β ladder)trans-129.1132.6-177.8167.60000110.3Y378 A380 Y381 L425 T426 I428 E450Y378-V448 HydrophobicContact CD2-CG2 3.64Å; Y378-V448 HydrophobicContact CE2-CG2 3.63Å; A380-V448 CarbonylContact O-C 3.47Å; A380-V448 WeakPolarHBondContact O-CA 3.32Å; Y381-V448 HydrophobicContact CD2-CG1 4.2Å; L425-V448 CarbonylContact C-O 3.58Å; L425-V448 WeakPolarHBondContact CA-O 3.43Å; T426-V448 PolarHBondContact N-O 2.87Å; T426-V448 PolarHBondContact O-N 3.2Å; T426-V448 WeakPolarHBondContact OG1-CB 3.28Å; I428-V448 HydrophobicContact CG2-CB 4.5Å; I428-V448 HydrophobicContact CG2-CG2 3.42Å; I428-V448 VanDerWaalsContact CG2-CG2 3.42Å; V448-E450 PolarHBondContact O-N 3.2Å
449V96.9Very high93.3Very high10 Ų1032.3 Ų32.36%0.06116%0.157CC..EExtended strand (participates in β ladder)trans-75.3116.3176.1-178.20000110.3K356 A380 Y381 P422 L425K356-V449 HydrophobicContact CD-CB 4.15Å; K356-V449 HydrophobicContact CD-CG1 3.87Å; K356-V449 WeakPolarHBondContact CD-O 3.44Å; K356-V449 WeakPolarHBondContact CE-O 3.36Å; K356-V449 HydrophobicContact CG-CG1 4.35Å; K356-V449 PolarHBondContact NZ-O 3.49Å; A380-V449 PolarHBondContact O-N 3.06Å; Y381-V449 WeakPolarHBondContact O-CG2 3.06Å; P422-V449 HydrophobicContact CB-CG1 4.3Å; P422-V449 HydrophobicContact CB-CG2 4.28Å; P422-V449 HydrophobicContact CG-CG2 3.93Å; L425-V449 HydrophobicContact CD2-CB 4.48Å; L425-V449 HydrophobicContact CD2-CG2 3.91Å
450E94.6Very high93.2Very high105 Ų10534 Ų3449%0.49117%0.165SC..EExtended strand (participates in β ladder)trans-81.5-55.1170.1-166.7-156.9173.700109.7K356 K424 T426 V448K356-E450 PolarHBondContact NZ-O 3.26Å; K424-E450 HydrophobicContact CB-CB 4.05Å; K424-E450 WeakPolarHBondContact CB-OE2 3.47Å; K424-E450 WeakPolarHBondContact O-CB 3.42Å; K424-E450 PolarHBondContact O-N 2.85Å; T426-E450 HydrophobicContact CG2-CB 4.27Å; V448-E450 PolarHBondContact O-N 3.2Å
451S95Very high93.1Very high30 Ų3036 Ų3621%0.2117%0.174CC..EExtended strand (participates in β ladder)trans-138.2156.4-176.366.10000113.1T423 K424T423-S451 PolarHBondContact N-O 3.3Å; T423-S451 PolarHBondContact OG1-O 3.26Å; T423-S451 PolarHBondContact OG1-OG 2.98Å; T423-S451 VanDerWaalsContact OG1-OG 3.06Å; K424-S451 WeakPolarHBondContact CB-OG 3.38Å; K424-S451 WeakPolarHBondContact CG-OG 3.38Å; K424-S451 PolarHBondContact N-OG 2.95Å; K424-S451 PolarHBondContact O-N 2.67Å
452C96.2Very high93.1Very high11 Ų1138.4 Ų38.47%0.07419%0.186CC..EExtended strand (participates in β ladder)trans-121.3147.8178.6-59.80000110.9C383 V421C383-C452 WeakPolarHBondContact CA-SG 3.39Å; C383-C452 HydrophobicContact CB-CB 3.78Å; C383-C452 WeakPolarHBondContact CB-SG 3.39Å; C383-C452 VanDerWaalsContact SG-CA 3.56Å; C383-C452 WeakPolarHBondContact SG-CB 3.4Å; C383-C452 CovalentContact SG-SG 2.03Å; C383-C452 PolarHBondContact SG-SG 2.97Å; V421-C452 WeakPolarHBondContact O-CA 3.45Å
453G95.3Very high93.2Very high0 Ų041 Ų410%020%0.199CC..EExtended strand (participates in β ladder)trans-147.6177.5177.300000113.4C354 L395 C420 V421C354-G453 PolarHBondContact SG-O 3.04Å; L395-G453 WeakPolarHBondContact O-CA 3.17Å; C420-G453 WeakPolarHBondContact CA-O 3.34Å; V421-G453 PolarHBondContact N-O 2.81Å; V421-G453 PolarHBondContact O-N 3.03Å
454C94.9Very high93.5Very high0 Ų040.7 Ų40.70%020%0.198CC..EExtended strand (participates in β ladder)trans-102125.4177-65.50000109.8C387 L391 L395 A401 C419C387-C454 HydrophobicContact CB-CB 3.8Å; C387-C454 WeakPolarHBondContact CB-SG 3.32Å; C387-C454 WeakPolarHBondContact SG-CB 3.46Å; C387-C454 CovalentContact SG-SG 2.03Å; C387-C454 PolarHBondContact SG-SG 3.06Å; L391-C454 HydrophobicContact CD1-CB 4.03Å; L391-C454 HydrophobicContact CD2-CB 4.02Å; L395-C454 PolarHBondContact O-N 3.21Å; A401-C454 WeakPolarHBondContact CB-O 3.35Å; C419-C454 WeakPolarHBondContact O-CA 3.4Å
455R91.8Very high93.8Very high105 Ų10543.6 Ų43.640%0.39621%0.213SC..  trans-127.90-178.5-59.6-64.9164.7134.1-5.6111.4E396 S418 C419 V421E396-R455 PolarHBondContact O-NH2 3.04Å; S418-R455 CarbonylContact C-O 3.57Å; S418-R455 WeakPolarHBondContact CA-O 3.03Å; S418-R455 VanDerWaalsContact CB-O 3.26Å; S418-R455 WeakPolarHBondContact CB-O 3.44Å; C419-R455 PolarHBondContact N-O 3.45Å; C419-R455 PolarHBondContact O-N 3.41Å; V421-R455 HydrophobicContact CG2-CB 3.79Å; V421-R455 HydrophobicContact CG2-CG 3.49Å; V421-R455 VanDerWaalsContact CG2-CG 3.49Å

Retrieved 455 of 455 residues in 2114.1 ms (Link to these results)