A0A093K5J9_STRCA Loading...

Lipopolysaccharide-induced tumor necrosis factor-alpha factor

AlphaFold DB , UniProt , Accession A0A093K5J9, Species STRCA (Struthio camelus australis), Gene n/a, Length 147 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M37.9Very low45.3Very low236 Ų236127.2 Ų127.2100%1.16383%0.827SS**  081.20-37.4175.2-159.700105.3
2S39Very low46.6Very low114 Ų114123.7 Ų123.780%0.79782%0.817SS**  91.898.6102.6-51.10000110.2
3A42.9Very low47.5Very low101 Ų101123.4 Ų123.484%0.83581%0.814SS**  trans-65.6149.615700000109.3
4P47.2Very low48.2Very low109 Ų109119.9 Ų119.971%0.70879%0.791SS**  trans-133.9135.9134.924.8-6.5000112.8
5S47.4Very low48.8Very low125 Ų125116.5 Ų116.587%0.87477%0.77SS**  55.7122.6126.6-38.30000117.8
6G39.6Very low49.3Very low67 Ų67120.2 Ų120.269%0.69177%0.765SS**  cis178.9164.911.800000108.1P8G6-P8 WeakPolarHBondContact O-CD 3.2Å
7F41.7Very low49.9Very low214 Ų214120.5 Ų120.594%0.93975%0.754SS**  trans-80.8119.4174.4-74.2-91000109.5
8P44.1Very low50.2Low121 Ų121120.4 Ų120.479%0.78674%0.743SS**  trans-75.4133.1157-3.122.8000107.7G6G6-P8 WeakPolarHBondContact O-CD 3.2Å
9G53.6Low50.6Low59 Ų59118.9 Ų118.961%0.60873%0.734SS**  trans-61.3174.1178.200000113.4S11G9-S11 PolarHBondContact O-N 3.37Å
10P47.2Very low51Low138 Ų138117.9 Ų117.990%0.89673%0.727SS**  trans-61.7112.4-178.725.6-31.9000109.8
11S57.7Low51.2Low115 Ų115114.5 Ų114.580%0.80472%0.716SS**PPolyproline II helixtrans-60.9136.3169.240.40000109.5G9G9-S11 PolarHBondContact O-N 3.37Å
12A60.3Low51.8Low85 Ų85109.2 Ų109.270%0.70269%0.691SS**PPolyproline II helixtrans-52.3152.517600000111.6
13P59.5Low52.4Low120 Ų120111.8 Ų111.878%0.77969%0.69SS**PPolyproline II helixtrans-59.8147.5176.225.6-33.6000110.9
14P56.2Low52.8Low75 Ų75112.9 Ų112.949%0.48769%0.686SS.*PPolyproline II helixtrans-62143.8-173.924.7-33.6000111.8E18P14-E18 HydrophobicContact CB-CB 4.03Å; P14-E18 HydrophobicContact CB-CG 4.3Å; P14-E18 VanDerWaalsContact CB-OE1 3.3Å; P14-E18 WeakPolarHBondContact CB-OE1 3.23Å
15S57.3Low53.2Low69 Ų69114.2 Ų114.248%0.48369%0.687SS.*PPolyproline II helixtrans-62.5151.8174.5-172.40000110.4E17 E18S15-E17 PolarHBondContact O-N 3.31Å; S15-E18 WeakPolarHBondContact O-CB 3.3Å; S15-E18 PolarHBondContact O-N 3.39Å
16Y57.3Low53.1Low175 Ų175114.8 Ų114.869%0.68668%0.681SS**Hα-helixtrans-52.1-28.5-174.968.3-85.9000113.9
17E59Low53.3Low125 Ų125117.2 Ų117.258%0.58469%0.687SS**Hα-helixtrans-71-27.8179.1-60.7-172.1114.600113.4S15 T20 G21S15-E17 PolarHBondContact O-N 3.31Å; E17-T20 PolarHBondContact O-N 3.14Å; E17-T20 PolarHBondContact O-OG1 3.05Å; E17-G21 PolarHBondContact O-N 3.12Å
18E55.7Low53.6Low120 Ų120114.2 Ų114.256%0.56168%0.675SS**Hα-helixtrans-74.2-32.5-178.7-163.7-179.2112.100111.5P14 S15 T20 G21 I22P14-E18 HydrophobicContact CB-CB 4.03Å; P14-E18 HydrophobicContact CB-CG 4.3Å; P14-E18 VanDerWaalsContact CB-OE1 3.3Å; P14-E18 WeakPolarHBondContact CB-OE1 3.23Å; S15-E18 WeakPolarHBondContact O-CB 3.3Å; S15-E18 PolarHBondContact O-N 3.39Å; E18-T20 VanDerWaalsContact C-N 3.33Å; E18-T20 PolarHBondContact O-N 3.48Å; E18-G21 PolarHBondContact O-N 3.31Å; E18-I22 WeakPolarHBondContact O-CG1 3.32Å; E18-I22 PolarHBondContact O-N 3.13Å
19T57.4Low53.6Low92 Ų92114.4 Ų114.456%0.56468%0.677SS**Hα-helixtrans-66.1-36.1174.9-65.70000111.7G21T19-G21 VanDerWaalsContact C-N 3.34Å
20T58.8Low52.8Low98 Ų98121.2 Ų121.260%0.60169%0.685SS**Hα-helixtrans-72.1-25.7177.240.20000113.5E17 E18E17-T20 PolarHBondContact O-N 3.14Å; E17-T20 PolarHBondContact O-OG1 3.05Å; E18-T20 VanDerWaalsContact C-N 3.33Å; E18-T20 PolarHBondContact O-N 3.48Å
21G55.2Low52.5Low47 Ų47120.6 Ų120.649%0.48568%0.682SS.*Hα-helixtrans-73.3-33.3176.700000113.9E17 E18 T19 H23 V24E17-G21 PolarHBondContact O-N 3.12Å; E18-G21 PolarHBondContact O-N 3.31Å; T19-G21 VanDerWaalsContact C-N 3.34Å; G21-H23 VanDerWaalsContact C-N 3.34Å; G21-H23 PolarHBondContact O-N 3.36Å; G21-V24 PolarHBondContact O-N 2.97Å
22I50.3Low52Low124 Ų124121 Ų12164%0.63668%0.679SS**Hα-helixtrans-71.3-30.3-177.7-61.7164.1000111.6E18 V24E18-I22 WeakPolarHBondContact O-CG1 3.32Å; E18-I22 PolarHBondContact O-N 3.13Å; I22-V24 PolarHBondContact O-N 2.89Å
23H53.1Low51.2Low168 Ų168122.8 Ų122.878%0.77868%0.683SS**THydrogen-bonded Turntrans-80.94.7-179.5-162.8-93.7000114.2G21G21-H23 VanDerWaalsContact C-N 3.34Å; G21-H23 PolarHBondContact O-N 3.36Å
24V50.2Low50.3Low125 Ų125125.6 Ų125.676%0.75869%0.686SS**THydrogen-bonded Turntrans-87.5-22.6174.5-173.40000111.6G21 I22G21-V24 PolarHBondContact O-N 2.97Å; I22-V24 PolarHBondContact O-N 2.89Å
25N56.7Low49.6Very low137 Ų137128 Ų12873%0.73370%0.701SS**SBendtrans-94.1-9.2-168.1-163.545.8000116
26N44.7Very low49.1Very low137 Ų137128.1 Ų128.173%0.73371%0.714SS**  trans-107.790.4177.2-97.2-11.6000111.4H28N26-H28 PolarHBondContact O-N 3.18Å; N26-H28 VanDerWaalsContact O-N 3.08Å
27S43.7Very low48.2Very low117 Ų117129.3 Ų129.382%0.81873%0.725SS**  trans-6693.4169.453.80000111.2
28H47.9Very low47.5Very low152 Ų152135 Ų13570%0.70474%0.742SS**  trans-88.5125.2157.9-92.5-91000108.9N26 Y30N26-H28 PolarHBondContact O-N 3.18Å; N26-H28 VanDerWaalsContact O-N 3.08Å; H28-Y30 PolarHBondContact O-N 3.3Å
29P42.9Very low46.8Very low125 Ų125135.2 Ų135.281%0.81275%0.753SS**  trans-74.9108.7-178.428-29.6000109.9
30Y37.8Very low46.3Very low201 Ų201137.9 Ų137.979%0.78876%0.764SS**PPolyproline II helixtrans-84135.9165.7-74.1-87.6000109.4H28 V32H28-Y30 PolarHBondContact O-N 3.3Å; Y30-V32 PolarHBondContact O-N 2.95Å
31P41.2Very low45.4Very low126 Ų126138.3 Ų138.382%0.81877%0.771SS**PPolyproline II helixtrans-74.8117.7172.928.1-28.7000110.1
32V47.3Very low44.7Very low124 Ų124145.7 Ų145.775%0.75279%0.79SS**PPolyproline II helixtrans-81.1133.4172.6162.70000109.7Y30 E34Y30-V32 PolarHBondContact O-N 2.95Å; V32-E34 PolarHBondContact O-N 3.04Å
33P42.4Very low44.7Very low121 Ų121143.8 Ų143.879%0.78680%0.801SS**  trans-80.1113.6167.3-3.821.5000109.8
34E41.3Very low44.3Very low180 Ų180140.6 Ų140.684%0.84180%0.803SS**  trans-84.6140.2178.1-156.3177.3108.400111.5V32 G36V32-E34 PolarHBondContact O-N 3.04Å; E34-G36 PolarHBondContact O-N 2.86Å
35P42.4Very low44.3Very low124 Ų124141.9 Ų141.981%0.80581%0.806SS**  trans-83.5105.6-179.33.914.2000112
36G45.3Very low44Very low72 Ų72140.2 Ų140.274%0.74280%0.803SS**  trans61.8100.114200000119.8E34E34-G36 PolarHBondContact O-N 2.86Å
37Q38.3Very low44.6Very low200 Ų200138.9 Ų138.994%0.93580%0.802SS**  trans-144.3123.9144.2-94.7177.5-19.100110
38R45.6Very low44.8Very low246 Ų246139.1 Ų139.193%0.92880%0.8SS**  trans-88.3143.1168-75.2-178.2169.1-173.5-2.3108.6
39P41.4Very low44.7Very low124 Ų124141.5 Ų141.581%0.80580%0.804SS**  -144.3138.196.232.5-14.4000115.5
40N45.3Very low45Very low147 Ų147142.1 Ų142.179%0.78681%0.806SS**  trans49.7100.9143.1-15914.9000120.2
41S40.5Very low45.9Very low108 Ų108138 Ų13876%0.75580%0.801SS**  -172.5116.1125.2360000113.4
42K40.8Very low46.7Very low201 Ų201140.1 Ų140.187%0.87480%0.8SS**  trans3699.5142.9-63.8-169.7-90.4-175.20119.4
43G50.3Low47Very low84 Ų84140 Ų14087%0.86680%0.802SS**  61.894.712400000119.3
44A44.8Very low47.7Very low101 Ų101137.1 Ų137.184%0.83579%0.794SS**  trans-156.2126.4147.300000109.4
45N49.9Very low48.3Very low153 Ų153134.7 Ų134.782%0.81879%0.794SS**PPolyproline II helixtrans-75.7128.7175.7-168.2-94.7000108.8
46P51.2Low49.3Very low102 Ų102134.2 Ų134.266%0.66279%0.789SS**PPolyproline II helixtrans-77142.7175.229.6-31.5000110.7
47P55.8Low49.9Very low108 Ų108136.7 Ų136.770%0.70179%0.792SS**PPolyproline II helixtrans-64.5151.4-177.326.4-33.8000112Y49P47-Y49 PolarHBondContact O-N 2.94Å; P47-Y49 VanDerWaalsContact O-N 3.12Å
48P48.8Very low50.9Low122 Ų122133.5 Ų133.579%0.79278%0.781SS**  trans-67.7113.9177.927.5-31.5000109.2V50P48-V50 PolarHBondContact O-N 3Å
49Y44.6Very low51.5Low202 Ų202127.3 Ų127.379%0.79277%0.773SS**  trans-71.3120.7174.549.2-85.7000109P47 V51P47-Y49 PolarHBondContact O-N 2.94Å; P47-Y49 VanDerWaalsContact O-N 3.12Å; Y49-V51 HydrophobicContact CD2-CG2 3.94Å; Y49-V51 HydrophobicContact CE2-CG2 4.15Å; Y49-V51 PolarHBondContact O-N 2.84Å
50V50.8Low52.5Low138 Ų138127.6 Ų127.684%0.83677%0.773SS**  trans-76.3112.9169.2-1700000106.6P48 Q52P48-V50 PolarHBondContact O-N 3Å; V50-Q52 PolarHBondContact O-N 3.46Å; V50-Q52 VanDerWaalsContact O-N 3.14Å
51V56Low53.1Low115 Ų115126 Ų12670%0.69777%0.768SS**  trans-71.2107.1174.1174.30000108Y49Y49-V51 HydrophobicContact CD2-CG2 3.94Å; Y49-V51 HydrophobicContact CE2-CG2 4.15Å; Y49-V51 PolarHBondContact O-N 2.84Å
52Q58.3Low54Low170 Ų170126.4 Ų126.479%0.79477%0.766SS**PPolyproline II helixtrans-75.5130.8172.8-156.6172.11.900108.6V50 G54V50-Q52 PolarHBondContact O-N 3.46Å; V50-Q52 VanDerWaalsContact O-N 3.14Å; Q52-G54 PolarHBondContact O-N 3.31Å; Q52-G54 VanDerWaalsContact O-N 3.13Å
53P53Low54.7Low121 Ų121124.6 Ų124.679%0.78676%0.761SS**PPolyproline II helixtrans-63.6116.6175.5-17.229.3000109.5
54G58.4Low55.2Low61 Ų61125.9 Ų125.963%0.62975%0.751SS**PPolyproline II helixtrans-65.5148.9176.100000111.6Q52 T56Q52-G54 PolarHBondContact O-N 3.31Å; Q52-G54 VanDerWaalsContact O-N 3.13Å; G54-T56 PolarHBondContact O-N 3.38Å
55P53.9Low56.1Low129 Ų129126.4 Ų126.484%0.83874%0.744SS**PPolyproline II helixtrans-62.3126.8179.723.3-29.6000110.4
56T62.3Low56.3Low115 Ų115127.7 Ų127.771%0.70674%0.739SS**PPolyproline II helixtrans-54.6130171.734.50000110.2G54 N58G54-T56 PolarHBondContact O-N 3.38Å; T56-N58 PolarHBondContact O-N 3.49Å
57P58.4Low56.6Low123 Ų123128.5 Ų128.580%0.79974%0.742SS**  trans-68.5109.8172.526.2-28.8000108.1
58N59.6Low56.7Low133 Ų133128.4 Ų128.471%0.71173%0.732SS**  trans-57.2127169.6-61.9-22.4000107.7T56 V60T56-N58 PolarHBondContact O-N 3.49Å; N58-V60 PolarHBondContact O-N 3.01Å
59P56.8Low57.1Low117 Ų117130.1 Ų130.176%0.7673%0.729SS**  trans-63.2111.3173.225.3-31.3000107.7T61P59-T61 VanDerWaalsContact C-N 3.34Å; P59-T61 PolarHBondContact O-N 2.79Å
60V62.5Low57.8Low130 Ų130126 Ų12679%0.78873%0.728SS**  trans-62.599.4171.8178.30000106.6N58 V62N58-V60 PolarHBondContact O-N 3.01Å; V60-V62 VanDerWaalsContact C-N 3.33Å; V60-V62 HydrophobicContact CG1-CG2 4.45Å; V60-V62 PolarHBondContact O-N 3.08Å
61T58.1Low58.5Low113 Ų113121.6 Ų121.669%0.69370%0.7SS**  trans-69.695.5171.851.70000107.4P59 Q63P59-T61 VanDerWaalsContact C-N 3.34Å; P59-T61 PolarHBondContact O-N 2.79Å; T61-Q63 VanDerWaalsContact C-N 3.25Å; T61-Q63 PolarHBondContact O-N 2.82Å
62V59.4Low59.1Low116 Ų116119.9 Ų119.970%0.70369%0.69SS**  trans-6493167.3-179.10000106.5V60 T64V60-V62 VanDerWaalsContact C-N 3.33Å; V60-V62 HydrophobicContact CG1-CG2 4.45Å; V60-V62 PolarHBondContact O-N 3.08Å; V62-T64 VanDerWaalsContact C-N 3.32Å; V62-T64 PolarHBondContact O-N 2.91Å
63Q56.7Low59.8Low164 Ų164113.6 Ų113.677%0.76666%0.66SS**  trans-67.9100.3163.7-78.4-168.329.300106.1T61 V65T61-Q63 VanDerWaalsContact C-N 3.25Å; T61-Q63 PolarHBondContact O-N 2.82Å; Q63-V65 PolarHBondContact O-N 2.87Å
64T59.8Low60.8Low110 Ų110113.7 Ų113.768%0.67565%0.646SS**  trans-64.489.5168.9-43.20000107.3V62 Y66V62-T64 VanDerWaalsContact C-N 3.32Å; V62-T64 PolarHBondContact O-N 2.91Å; T64-Y66 VanDerWaalsContact C-N 3.3Å; T64-Y66 HydrophobicContact CG2-CD2 4.41Å; T64-Y66 PolarHBondContact O-N 2.93Å
65V64.5Low61.4Low112 Ų112113.4 Ų113.468%0.67963%0.63SS**  trans-67.197.1169.11790000105.6Q63 V67Q63-V65 PolarHBondContact O-N 2.87Å; V65-V67 VanDerWaalsContact C-N 3.28Å; V65-V67 PolarHBondContact O-N 2.79Å
66Y53.4Low62.7Low180 Ų180115.6 Ų115.671%0.70662%0.621SS**  trans-63.298.6167.3-115-91.4000106.2T64 Q68T64-Y66 VanDerWaalsContact C-N 3.3Å; T64-Y66 HydrophobicContact CG2-CD2 4.41Å; T64-Y66 PolarHBondContact O-N 2.93Å; Y66-Q68 VanDerWaalsContact C-N 3.29Å; Y66-Q68 PolarHBondContact O-N 3.46Å
67V57Low63.7Low119 Ų119113.7 Ų113.772%0.72161%0.611SS**  trans-59.7102.2165-179.40000104.4V65 Q69V65-V67 VanDerWaalsContact C-N 3.28Å; V65-V67 PolarHBondContact O-N 2.79Å; V67-Q69 PolarHBondContact O-N 2.88Å
68Q58.4Low64.9Low106 Ų106109.4 Ų109.450%0.49558%0.583SS.*  trans-62.196.7170.4-78.9-152.295.800106Y66Y66-Q68 VanDerWaalsContact C-N 3.29Å; Y66-Q68 PolarHBondContact O-N 3.46Å
69Q57.8Low66.2Low158 Ų158109.6 Ų109.674%0.73858%0.579SS**  trans-50.3138165.8-133.2137.27.700106.6V67 V71V67-Q69 PolarHBondContact O-N 2.88Å; Q69-V71 VanDerWaalsContact C-N 3.34Å; Q69-V71 WeakPolarHBondContact O-CG2 3.48Å; Q69-V71 PolarHBondContact O-N 3.28Å
70P58.6Low67.5Low117 Ų117104.7 Ų104.776%0.7655%0.546SS*.  trans-57.1102.817923.1-32.3000107.9V72P70-V72 PolarHBondContact O-N 2.79Å
71V65.1Low68.6Low44 Ų44100.6 Ų100.627%0.26752%0.523SS..  trans-70.4106.4-179.3-1780000105.2Q69 F73 V78 M80Q69-V71 VanDerWaalsContact C-N 3.34Å; Q69-V71 WeakPolarHBondContact O-CG2 3.48Å; Q69-V71 PolarHBondContact O-N 3.28Å; V71-F73 HydrophobicContact CB-CZ 4.28Å; V71-F73 HydrophobicContact CG1-CE1 4.15Å; V71-F73 HydrophobicContact CG1-CZ 4.25Å; V71-F73 WeakPolarHBondContact O-CD2 3.21Å; V71-F73 WeakPolarHBondContact O-CE2 3.35Å; V71-F73 PolarHBondContact O-N 2.97Å; V71-V78 HydrophobicContact CG1-CB 4.36Å; V71-V78 HydrophobicContact CG1-CG1 3.7Å; V71-M80 HydrophobicContact CG1-SD 4.19Å; V71-M80 HydrophobicContact CG2-CB 4.35Å; V71-M80 HydrophobicContact CG2-CE 4.4Å; V71-M80 HydrophobicContact CG2-SD 4.45Å
72V68.4Low70Confident80 Ų8095.2 Ų95.249%0.48549%0.49SS..  trans-72.7111.2173.5-171.80000106.3P70 Y74P70-V72 PolarHBondContact O-N 2.79Å; V72-Y74 HydrophobicContact CB-CD2 4.42Å; V72-Y74 HydrophobicContact CB-CE2 3.64Å; V72-Y74 HydrophobicContact CG1-CD1 4.39Å; V72-Y74 HydrophobicContact CG1-CD2 4.36Å; V72-Y74 HydrophobicContact CG1-CE1 3.75Å; V72-Y74 HydrophobicContact CG1-CE2 3.72Å; V72-Y74 WeakPolarHBondContact CG1-OH 3.09Å; V72-Y74 WeakPolarHBondContact O-CD2 3.06Å; V72-Y74 VanDerWaalsContact O-CE2 3.28Å; V72-Y74 WeakPolarHBondContact O-CE2 3.27Å
73F74.5Confident71.2Confident37 Ų3793.1 Ų93.116%0.16248%0.479CS..  trans-73136.5172.7-63.7-75000108.7V71 M80 H132 V141 Y144V71-F73 HydrophobicContact CB-CZ 4.28Å; V71-F73 HydrophobicContact CG1-CE1 4.15Å; V71-F73 HydrophobicContact CG1-CZ 4.25Å; V71-F73 WeakPolarHBondContact O-CD2 3.21Å; V71-F73 WeakPolarHBondContact O-CE2 3.35Å; V71-F73 PolarHBondContact O-N 2.97Å; F73-M80 HydrophobicContact CE1-SD 3.79Å; F73-M80 HydrophobicContact CZ-CE 4.49Å; F73-M80 HydrophobicContact CZ-SD 3.96Å; F73-H132 HydrophobicContact CD1-CB 4.06Å; F73-H132 AromaticContact CD1-CD2 3.67Å; F73-H132 AromaticContact CD1-CE1 3.85Å; F73-H132 AromaticContact CD1-CG 3.57Å; F73-H132 AromaticContact CD1-ND1 3.69Å; F73-H132 AromaticContact CD1-NE2 3.86Å; F73-H132 HydrophobicContact CE1-CB 4.19Å; F73-V141 HydrophobicContact CE1-CB 4.49Å; F73-V141 HydrophobicContact CE1-CG1 3.86Å; F73-V141 HydrophobicContact CZ-CG1 3.68Å; F73-Y144 WeakPolarHBondContact O-CD2 3.35Å
74Y72.9Confident72.7Confident124 Ų12489 Ų8949%0.48647%0.468SS..  trans-128.3-172-178.9-66.8-76.4000109.3V72 R76 H132V72-Y74 HydrophobicContact CB-CD2 4.42Å; V72-Y74 HydrophobicContact CB-CE2 3.64Å; V72-Y74 HydrophobicContact CG1-CD1 4.39Å; V72-Y74 HydrophobicContact CG1-CD2 4.36Å; V72-Y74 HydrophobicContact CG1-CE1 3.75Å; V72-Y74 HydrophobicContact CG1-CE2 3.72Å; V72-Y74 WeakPolarHBondContact CG1-OH 3.09Å; V72-Y74 WeakPolarHBondContact O-CD2 3.06Å; V72-Y74 VanDerWaalsContact O-CE2 3.28Å; V72-Y74 WeakPolarHBondContact O-CE2 3.27Å; Y74-R76 PolarHBondContact O-N 3.43Å; Y74-H132 PolarHBondContact O-NE2 3.43Å; Y74-H132 VanDerWaalsContact O-NE2 3.15Å
75D71.9Confident74Confident54 Ų5485.4 Ų85.429%0.28945%0.447SS..SBendtrans-70.65.8173.270.5-42.1000114.4L93 Y95D75-L93 WeakPolarHBondContact O-CD1 3.45Å; D75-Y95 PolarHBondContact O-OH 3.46Å; D75-Y95 VanDerWaalsContact O-OH 3.12Å
76R80.4Confident75.1Confident175 Ų17586.1 Ų86.166%0.6645%0.447SS*.SBendtrans-127.8149.5-171.5-68.8177.9-167.4-133.90.6112Y74 V78 H132Y74-R76 PolarHBondContact O-N 3.43Å; R76-V78 PolarHBondContact O-N 3.37Å; R76-H132 PolarHBondContact O-CE1 3.46Å
77P82.5Confident76.6Confident75 Ų7583 Ų8349%0.48744%0.437SS..PPolyproline II helixtrans-65.5126.7178.228.3-34.5000109.8V90 T91 L93P77-V90 HydrophobicContact CB-CG1 3.72Å; P77-V90 HydrophobicContact CG-CG1 4.45Å; P77-T91 WeakPolarHBondContact CB-O 3.24Å; P77-L93 HydrophobicContact CB-CG 4.41Å
78V84.1Confident78.2Confident34 Ų3483 Ų8321%0.20643%0.431CS..PPolyproline II helixtrans-102.8136.7179.9-174.20000109.6V71 R76 T91V71-V78 HydrophobicContact CG1-CB 4.36Å; V71-V78 HydrophobicContact CG1-CG1 3.7Å; R76-V78 PolarHBondContact O-N 3.37Å; V78-T91 PolarHBondContact N-OG1 3.29Å; V78-T91 PolarHBondContact O-N 3.3Å; V78-T91 PolarHBondContact O-OG1 3.44Å; V78-T91 VanDerWaalsContact O-OG1 3.13Å
79Q87Confident79.6Confident136 Ų13678.3 Ų78.364%0.63641%0.409SS*.EExtended strand (participates in β ladder)trans-80.7121.5170.2-171.3178.828.700109.3M88 I89 V90Q79-M88 HydrophobicContact CG-CG 4.15Å; Q79-I89 CarbonylContact C-O 3.58Å; Q79-I89 VanDerWaalsContact CA-O 3.3Å; Q79-I89 WeakPolarHBondContact CA-O 3.43Å; Q79-V90 HydrophobicContact CB-CG2 4.34Å; Q79-V90 HydrophobicContact CG-CG2 4.37Å
80M84.1Confident81.1Confident15 Ų1574.6 Ų74.67%0.07440%0.397CS..EExtended strand (participates in β ladder)trans-151.9166179.562.3177.1-74.400111.3V71 F73 I89 T91 V141V71-M80 HydrophobicContact CG1-SD 4.19Å; V71-M80 HydrophobicContact CG2-CB 4.35Å; V71-M80 HydrophobicContact CG2-CE 4.4Å; V71-M80 HydrophobicContact CG2-SD 4.45Å; F73-M80 HydrophobicContact CE1-SD 3.79Å; F73-M80 HydrophobicContact CZ-CE 4.49Å; F73-M80 HydrophobicContact CZ-SD 3.96Å; M80-I89 HydrophobicContact CG-CD1 4.05Å; M80-I89 PolarHBondContact N-O 2.88Å; M80-I89 PolarHBondContact O-N 2.78Å; M80-I89 VanDerWaalsContact O-O 3.09Å; M80-T91 HydrophobicContact CG-CG2 4.12Å; M80-T91 HydrophobicContact SD-CG2 4.01Å; M80-V141 HydrophobicContact CE-CG1 3.46Å; M80-V141 VanDerWaalsContact CE-CG1 3.46Å; M80-V141 HydrophobicContact SD-CG1 3.43Å; M80-V141 WeakPolarHBondContact SD-CG1 3.48Å
81C86.8Confident82.6Confident44 Ų4469.2 Ų69.230%0.29736%0.362SS..EExtended strand (participates in β ladder)trans-80.8123.9168.5-166.20000109.2
82C86.8Confident83.7Confident0 Ų072.7 Ų72.70%038%0.375CS..  trans-69.9126.8177.8177.50000110.4S84 C85 N86 K87 I89 C134 C137C82-S84 PolarHBondContact O-N 3.02Å; C82-S84 PolarHBondContact SG-N 3.13Å; C82-C85 VanDerWaalsContact CB-SG 3.53Å; C82-C85 PolarHBondContact O-N 3.3Å; C82-C85 VanDerWaalsContact SG-SG 3.67Å; C82-N86 VanDerWaalsContact O-CA 3.23Å; C82-N86 WeakPolarHBondContact O-CA 3.47Å; C82-N86 PolarHBondContact O-N 3.04Å; C82-K87 PolarHBondContact N-O 3.05Å; C82-I89 HydrophobicContact CB-CG1 3.86Å; C82-C134 VanDerWaalsContact SG-SG 3.61Å; C82-C137 VanDerWaalsContact SG-SG 3.67Å
83P84.5Confident84.6Confident71 Ų7170 Ų7046%0.46136%0.357SS..THydrogen-bonded Turntrans-67.8-23.2179.627.6-35.4000113.1
84S88.4Confident85.1Confident77 Ų7770.4 Ų70.454%0.53837%0.365SS..THydrogen-bonded Turntrans-84.2-35.6-179.1-49.50000113.2C82 A139C82-S84 PolarHBondContact O-N 3.02Å; C82-S84 PolarHBondContact SG-N 3.13Å; S84-A139 VanDerWaalsContact OG-CB 3.27Å; S84-A139 WeakPolarHBondContact OG-CB 3.26Å
85C87.6Confident85.5Confident35 Ų3569 Ų6924%0.23636%0.36CS..THydrogen-bonded Turntrans-119.7-1.6-175.472.70000114.7C82 K87 C137C82-C85 VanDerWaalsContact CB-SG 3.53Å; C82-C85 PolarHBondContact O-N 3.3Å; C82-C85 VanDerWaalsContact SG-SG 3.67Å; C85-K87 PolarHBondContact O-N 2.88Å; C85-C137 HydrophobicContact CB-CB 4.28Å
86N86.6Confident85.6Confident127 Ų12769.9 Ų69.968%0.67937%0.367SS*.  trans52.725.7180-62.7-66.6000114.7C82C82-N86 VanDerWaalsContact O-CA 3.23Å; C82-N86 WeakPolarHBondContact O-CA 3.47Å; C82-N86 PolarHBondContact O-N 3.04Å
87K85.9Confident85Confident115 Ų11564.8 Ų64.850%0.536%0.359SS..  trans-100.5143.7175.4-65.4-178.2-177-177.30109.2C82 C85 I89C82-K87 PolarHBondContact N-O 3.05Å; C85-K87 PolarHBondContact O-N 2.88Å; K87-I89 HydrophobicContact CB-CG2 4.16Å; K87-I89 PolarHBondContact O-N 2.88Å
88M88.9Confident84.4Confident120 Ų12062.9 Ų62.959%0.59135%0.352SS*.EExtended strand (participates in β ladder)trans-69.3117.4167.9-172.4155.7-75.600108.8Q79Q79-M88 HydrophobicContact CG-CG 4.15Å
89I88.4Confident83.6Confident6 Ų664.7 Ų64.73%0.03137%0.371CS..EExtended strand (participates in β ladder)trans-130.4158.2-175.860.879.5000110.9Q79 M80 C82 K87 T91 P135 N136Q79-I89 CarbonylContact C-O 3.58Å; Q79-I89 VanDerWaalsContact CA-O 3.3Å; Q79-I89 WeakPolarHBondContact CA-O 3.43Å; M80-I89 HydrophobicContact CG-CD1 4.05Å; M80-I89 PolarHBondContact N-O 2.88Å; M80-I89 PolarHBondContact O-N 2.78Å; M80-I89 VanDerWaalsContact O-O 3.09Å; C82-I89 HydrophobicContact CB-CG1 3.86Å; K87-I89 HydrophobicContact CB-CG2 4.16Å; K87-I89 PolarHBondContact O-N 2.88Å; I89-T91 HydrophobicContact CD1-CG2 3.54Å; I89-P135 HydrophobicContact CB-CG 4.14Å; I89-P135 HydrophobicContact CG2-CG 4.39Å; I89-N136 WeakPolarHBondContact CG2-ND2 3.04Å
90V90Very high82.7Confident80 Ų8063.1 Ų63.149%0.48537%0.366SS..EExtended strand (participates in β ladder)trans-100.8121.7162.4177.60000106.3P77 Q79 P135P77-V90 HydrophobicContact CB-CG1 3.72Å; P77-V90 HydrophobicContact CG-CG1 4.45Å; Q79-V90 HydrophobicContact CB-CG2 4.34Å; Q79-V90 HydrophobicContact CG-CG2 4.37Å; V90-P135 VanDerWaalsContact O-CD 3.32Å; V90-P135 WeakPolarHBondContact O-CD 3.32Å; V90-P135 WeakPolarHBondContact O-CG 3.49Å
91T89.9Confident82.1Confident4 Ų463.1 Ų63.13%0.02537%0.367CS..PPolyproline II helixtrans-62.7141-17847.10000111.2P77 V78 M80 I89 H132 V141P77-T91 WeakPolarHBondContact CB-O 3.24Å; V78-T91 PolarHBondContact N-OG1 3.29Å; V78-T91 PolarHBondContact O-N 3.3Å; V78-T91 PolarHBondContact O-OG1 3.44Å; V78-T91 VanDerWaalsContact O-OG1 3.13Å; M80-T91 HydrophobicContact CG-CG2 4.12Å; M80-T91 HydrophobicContact SD-CG2 4.01Å; I89-T91 HydrophobicContact CD1-CG2 3.54Å; T91-H132 HydrophobicContact CG2-CB 4.14Å; T91-H132 PolarHBondContact OG1-ND1 2.82Å; T91-V141 HydrophobicContact CG2-CB 4.47Å; T91-V141 HydrophobicContact CG2-CG1 4.41Å; T91-V141 HydrophobicContact CG2-CG2 4.27Å
92H88.9Confident81.5Confident117 Ų11770.2 Ų70.254%0.54239%0.388SS..EExtended strand (participates in β ladder)trans-88.6131.8170.9-178.8-82.2000109.3H132 F133H92-H132 WeakPolarHBondContact O-CA 3.46Å; H92-F133 PolarHBondContact N-O 2.86Å; H92-F133 PolarHBondContact O-N 2.93Å
93L87.6Confident81Confident23 Ų2376.2 Ų76.212%0.1242%0.419CS..EExtended strand (participates in β ladder)trans-92.1129.3179.5-54.6-177.8000110.6D75 P77 Y95 V130 D131 H132D75-L93 WeakPolarHBondContact O-CD1 3.45Å; P77-L93 HydrophobicContact CB-CG 4.41Å; L93-Y95 HydrophobicContact CB-CE2 3.97Å; L93-Y95 HydrophobicContact CD1-CE2 4.35Å; L93-Y95 WeakPolarHBondContact CD1-OH 3.13Å; L93-V130 HydrophobicContact CB-CG1 4.17Å; L93-V130 HydrophobicContact CD1-CG1 4.3Å; L93-V130 HydrophobicContact CD2-CG1 3.72Å; L93-V130 HydrophobicContact CG-CG1 4.29Å; L93-D131 CarbonylContact C-O 3.51Å; L93-D131 WeakPolarHBondContact CA-O 3.36Å; L93-H132 WeakPolarHBondContact CD2-CE1 3.45Å; L93-H132 WeakPolarHBondContact CD2-ND1 3.3Å
94S83.8Confident80.5Confident47 Ų4775 Ų7533%0.32941%0.412SS..EExtended strand (participates in β ladder)trans-111.2120.3166.4-170.50000108.6D131S94-D131 PolarHBondContact N-O 3.44Å; S94-D131 PolarHBondContact O-N 3.47Å
95Y81.8Confident79.7Confident93 Ų9373.5 Ų73.537%0.36540%0.402SS..EExtended strand (participates in β ladder)trans-96.1118.7177-61.4-81.8000109.1D75 L93 R128 V130D75-Y95 PolarHBondContact O-OH 3.46Å; D75-Y95 VanDerWaalsContact O-OH 3.12Å; L93-Y95 HydrophobicContact CB-CE2 3.97Å; L93-Y95 HydrophobicContact CD1-CE2 4.35Å; L93-Y95 WeakPolarHBondContact CD1-OH 3.13Å; Y95-R128 HydrophobicContact CD1-CG 4.14Å; Y95-V130 HydrophobicContact CD1-CG1 4.42Å; Y95-V130 HydrophobicContact CD1-CG2 3.8Å; Y95-V130 HydrophobicContact CE1-CB 4.44Å; Y95-V130 HydrophobicContact CE1-CG1 4.05Å; Y95-V130 HydrophobicContact CE1-CG2 3.63Å
96T73.4Confident79.2Confident74 Ų7473.4 Ų73.445%0.45441%0.406SS..EExtended strand (participates in β ladder)trans-106.1110.2177.3-550000108.8G98 D129T96-G98 PolarHBondContact O-N 3.12Å; T96-D129 PolarHBondContact N-O 2.99Å
97S69Low78.8Confident68 Ų6868.6 Ų68.648%0.47639%0.386SS..  trans-75.9108.2175.254.80000110.1
98G68.8Low78.3Confident34 Ų3465.4 Ų65.435%0.35138%0.375SS..  trans-75.7173.7178.500000114T96 L100 T101T96-G98 PolarHBondContact O-N 3.12Å; G98-L100 PolarHBondContact O-N 3.06Å; G98-T101 WeakPolarHBondContact O-CB 3.28Å; G98-T101 PolarHBondContact O-N 3.02Å
99A66.7Low77.5Confident73 Ų7363 Ų6360%0.60337%0.369SS*.Hα-helixtrans-54.5-26.8178.100000113.9T101 W102 L103A99-T101 VanDerWaalsContact C-N 3.3Å; A99-T101 PolarHBondContact O-N 3.18Å; A99-W102 WeakPolarHBondContact O-CB 3.1Å; A99-W102 PolarHBondContact O-N 3.29Å; A99-L103 PolarHBondContact O-N 2.92Å
100L68.7Low76.7Confident102 Ų10270.2 Ų70.253%0.53441%0.407SS..Hα-helixtrans-61.9-32.9176.1-82.1152.8000113.8G98 S104 L127G98-L100 PolarHBondContact O-N 3.06Å; L100-S104 VanDerWaalsContact O-CB 3.3Å; L100-S104 WeakPolarHBondContact O-CB 3.37Å; L100-S104 PolarHBondContact O-N 3.44Å; L100-S104 PolarHBondContact O-OG 3.15Å; L100-L127 HydrophobicContact CB-CD1 4.33Å; L100-L127 HydrophobicContact CB-CD2 3.99Å; L100-L127 HydrophobicContact CD1-CD2 4.1Å; L100-L127 HydrophobicContact CD2-CD2 4.32Å; L100-L127 HydrophobicContact CG-CD2 4.36Å
101T72.6Confident75.8Confident15 Ų1573.7 Ų73.79%0.09242%0.422CS..Hα-helixtrans-63.3-45.3173.8-72.50000110.3G98 A99 S104 C105 I124G98-T101 WeakPolarHBondContact O-CB 3.28Å; G98-T101 PolarHBondContact O-N 3.02Å; A99-T101 VanDerWaalsContact C-N 3.3Å; A99-T101 PolarHBondContact O-N 3.18Å; T101-S104 PolarHBondContact O-N 2.74Å; T101-C105 VanDerWaalsContact O-CB 3.27Å; T101-C105 WeakPolarHBondContact O-CB 3.42Å; T101-C105 PolarHBondContact O-N 2.54Å; T101-I124 HydrophobicContact CG2-CB 4.47Å; T101-I124 HydrophobicContact CG2-CD1 3.83Å; T101-I124 HydrophobicContact CG2-CG1 3.58Å; T101-I124 HydrophobicContact CG2-CG2 4.26Å
102W74.3Confident74.5Confident194 Ų19475.2 Ų75.274%0.73544%0.438SS*.Hα-helixtrans-67.8-43.4179-68.190.9000112.1A99 C105 G106A99-W102 WeakPolarHBondContact O-CB 3.1Å; A99-W102 PolarHBondContact O-N 3.29Å; W102-C105 PolarHBondContact O-N 2.79Å; W102-G106 PolarHBondContact O-N 2.79Å
103L74.8Confident73.1Confident126 Ų12674.1 Ų74.166%0.6644%0.443SS*.Hα-helixtrans-64.9-39.5176.1-73.9176.4000112.2A99 G107A99-L103 PolarHBondContact O-N 2.92Å; L103-G107 PolarHBondContact O-N 3.16Å
104S74.5Confident71.8Confident45 Ų4580 Ų8032%0.31548%0.479SS..Hα-helixtrans-67.9-43.6175.8-66.60000111.7L100 T101 G107 L108L100-S104 VanDerWaalsContact O-CB 3.3Å; L100-S104 WeakPolarHBondContact O-CB 3.37Å; L100-S104 PolarHBondContact O-N 3.44Å; L100-S104 PolarHBondContact O-OG 3.15Å; T101-S104 PolarHBondContact O-N 2.74Å; S104-G107 PolarHBondContact O-N 3.26Å; S104-L108 WeakPolarHBondContact O-CB 3.43Å; S104-L108 PolarHBondContact O-N 3.12Å
105C71.9Confident70.7Confident46 Ų4681.7 Ų81.731%0.31150%0.496SS..Hα-helixtrans-62.2-46.9176.5-171.70000111.3T101 W102 L108 C109T101-C105 VanDerWaalsContact O-CB 3.27Å; T101-C105 WeakPolarHBondContact O-CB 3.42Å; T101-C105 PolarHBondContact O-N 2.54Å; W102-C105 PolarHBondContact O-N 2.79Å; C105-L108 PolarHBondContact O-N 3.42Å; C105-C109 WeakPolarHBondContact O-CB 3.28Å; C105-C109 PolarHBondContact O-N 2.98Å
106G76.3Confident69.7Low33 Ų3377.6 Ų77.634%0.3448%0.482SS..Hα-helixtrans-63.6-45.7176.100000112.7W102 L108 C109 L110W102-G106 PolarHBondContact O-N 2.79Å; G106-L108 PolarHBondContact O-N 3.47Å; G106-C109 PolarHBondContact O-N 3.05Å; G106-L110 WeakPolarHBondContact O-CB 3.49Å; G106-L110 VanDerWaalsContact O-CG 3.26Å; G106-L110 WeakPolarHBondContact O-CG 3.28Å; G106-L110 PolarHBondContact O-N 2.73Å
107G78.3Confident69.1Low25 Ų2578.1 Ų78.126%0.25849%0.488SS..Hα-helixtrans-61.5-43.5177.700000112.4L103 S104 L110 L111L103-G107 PolarHBondContact O-N 3.16Å; S104-G107 PolarHBondContact O-N 3.26Å; G107-L110 PolarHBondContact O-N 3.01Å; G107-L111 VanDerWaalsContact O-CB 3.25Å; G107-L111 WeakPolarHBondContact O-CB 3.11Å; G107-L111 WeakPolarHBondContact O-CD1 3.46Å; G107-L111 VanDerWaalsContact O-CG 3.25Å; G107-L111 WeakPolarHBondContact O-CG 3.22Å; G107-L111 PolarHBondContact O-N 3.12Å
108L75.3Confident68.6Low48 Ų4879.8 Ų79.825%0.25150%0.498SS..Hα-helixtrans-71.4-36.2-179.7-164.660.4000112.5S104 C105 G106 L110 L111 G112 G116 L119 I120S104-L108 WeakPolarHBondContact O-CB 3.43Å; S104-L108 PolarHBondContact O-N 3.12Å; C105-L108 PolarHBondContact O-N 3.42Å; G106-L108 PolarHBondContact O-N 3.47Å; L108-L110 VanDerWaalsContact C-N 3.31Å; L108-L111 PolarHBondContact O-N 3.3Å; L108-G112 PolarHBondContact O-N 3.28Å; L108-G112 VanDerWaalsContact O-N 3.14Å; L108-G116 WeakPolarHBondContact CD2-O 3.45Å; L108-L119 HydrophobicContact CD2-CB 4.25Å; L108-I120 HydrophobicContact CD2-CG1 4.18Å
109C72Confident68.4Low71 Ų7182.7 Ų82.748%0.4851%0.505SS..Hα-helixtrans-62.4-37.1169.7-85.30000112.4C105 G106 C113C105-C109 WeakPolarHBondContact O-CB 3.28Å; C105-C109 PolarHBondContact O-N 2.98Å; G106-C109 PolarHBondContact O-N 3.05Å; C109-C113 PolarHBondContact O-SG 3.42Å
110L71.9Confident68.5Low157 Ų15781.5 Ų81.582%0.82249%0.488SS*.Hα-helixtrans-76.6-28.7177.4-70.6169.5000112.9G106 G107 L108G106-L110 WeakPolarHBondContact O-CB 3.49Å; G106-L110 VanDerWaalsContact O-CG 3.26Å; G106-L110 WeakPolarHBondContact O-CG 3.28Å; G106-L110 PolarHBondContact O-N 2.73Å; G107-L110 PolarHBondContact O-N 3.01Å; L108-L110 VanDerWaalsContact C-N 3.31Å
111L70.6Confident68.3Low152 Ų15280.3 Ų80.380%0.79649%0.487SS*.Hα-helixtrans-94.8-16.7-172.4-74.5162.1000115.3G107 L108G107-L111 VanDerWaalsContact O-CB 3.25Å; G107-L111 WeakPolarHBondContact O-CB 3.11Å; G107-L111 WeakPolarHBondContact O-CD1 3.46Å; G107-L111 VanDerWaalsContact O-CG 3.25Å; G107-L111 WeakPolarHBondContact O-CG 3.22Å; G107-L111 PolarHBondContact O-N 3.12Å; L108-L111 PolarHBondContact O-N 3.3Å
112G64.5Low67.8Low36 Ų3687.4 Ų87.437%0.37152%0.517SS..  trans166.589.5175.200000116.9L108 V114 G116L108-G112 PolarHBondContact O-N 3.28Å; L108-G112 VanDerWaalsContact O-N 3.14Å; G112-V114 PolarHBondContact O-N 2.92Å; G112-G116 PolarHBondContact O-N 3.14Å
113C58.8Low67.3Low95 Ų9580.4 Ų80.464%0.64250%0.497SS*.THydrogen-bonded Turntrans-73.626.1-177.6-78.30000117.3C109C109-C113 PolarHBondContact O-SG 3.42Å
114V59.8Low66.8Low146 Ų14677 Ų7789%0.88548%0.478SS*.THydrogen-bonded Turntrans-121.6-21.1176.2-171.20000113.2G112G112-V114 PolarHBondContact O-N 2.92Å
115A60.5Low66.3Low83 Ų8377.8 Ų77.869%0.68648%0.479SS*.THydrogen-bonded Turntrans-126.2-12.7176.600000114.4
116G61.7Low65.9Low7 Ų777.5 Ų77.57%0.07248%0.481CS..SBendtrans-82.6-23.2-172.200000116.1L108 G112 C118 L119L108-G116 WeakPolarHBondContact CD2-O 3.45Å; G112-G116 PolarHBondContact O-N 3.14Å; G116-C118 PolarHBondContact O-N 3.2Å; G116-C118 VanDerWaalsContact O-N 3.12Å; G116-L119 PolarHBondContact O-N 3.44Å; G116-L119 VanDerWaalsContact O-N 3.09Å
117C60.8Low65.3Low85 Ų8577.7 Ų77.757%0.57447%0.474SS*.THydrogen-bonded Turntrans-62.9-25.8-173.2550000114.1I120C117-I120 HydrophobicContact CB-CD1 4.49Å
118C58.8Low64.9Low102 Ų10279.4 Ų79.469%0.68947%0.472SS*.THydrogen-bonded Turntrans-76.7-17.9178.5-590000114.1G116 P121G116-C118 PolarHBondContact O-N 3.2Å; G116-C118 VanDerWaalsContact O-N 3.12Å; C118-P121 WeakPolarHBondContact O-CD 3.45Å
119L62.8Low65.1Low95 Ų9579.2 Ų79.250%0.49747%0.472SS..THydrogen-bonded Turntrans-89.2-14.3-178.6-67.4173.8000113.1L108 G116 F122 C123L108-L119 HydrophobicContact CD2-CB 4.25Å; G116-L119 PolarHBondContact O-N 3.44Å; G116-L119 VanDerWaalsContact O-N 3.09Å; L119-F122 PolarHBondContact O-N 3.36Å; L119-F122 VanDerWaalsContact O-N 3.14Å; L119-C123 PolarHBondContact O-N 3.02Å; L119-C123 PolarHBondContact O-SG 3.41Å; L119-C123 VanDerWaalsContact O-SG 3.42Å
120I70.6Confident65.7Low48 Ų4875.9 Ų75.925%0.24645%0.449CS..Hα-helixtrans-51.9-51.3178.4-59.1176000112.5L108 C117 F122 C123 I124L108-I120 HydrophobicContact CD2-CG1 4.18Å; C117-I120 HydrophobicContact CB-CD1 4.49Å; I120-F122 VanDerWaalsContact C-N 3.31Å; I120-F122 PolarHBondContact O-N 3.27Å; I120-C123 PolarHBondContact O-N 2.84Å; I120-I124 HydrophobicContact CG2-CD1 3.53Å; I120-I124 HydrophobicContact CG2-CG1 4.33Å; I120-I124 WeakPolarHBondContact O-CB 3.47Å; I120-I124 WeakPolarHBondContact O-CG1 3.15Å; I120-I124 PolarHBondContact O-N 2.91Å
121P63.9Low66.5Low77 Ų7770 Ų7050%0.542%0.418SS..Hα-helixtrans-60.6-40.6178.721.8-32.6000112.3C118 I124 D125C118-P121 WeakPolarHBondContact O-CD 3.45Å; P121-I124 PolarHBondContact O-N 3.06Å; P121-D125 WeakPolarHBondContact O-CB 3.29Å; P121-D125 PolarHBondContact O-N 3.49Å
122F62.3Low67.3Low165 Ų16562.7 Ų62.772%0.72438%0.38SS*.Hα-helixtrans-69.9-39.7-177.1-149.8-92.7000112.7L119 I120 A126L119-F122 PolarHBondContact O-N 3.36Å; L119-F122 VanDerWaalsContact O-N 3.14Å; I120-F122 VanDerWaalsContact C-N 3.31Å; I120-F122 PolarHBondContact O-N 3.27Å; F122-A126 PolarHBondContact O-N 3.31Å
123C62.6Low68.6Low47 Ų4764 Ų6432%0.31838%0.376SS..Hα-helixtrans-66.5-42175.2-69.20000111.6L119 I120 D125 A126 L127L119-C123 PolarHBondContact O-N 3.02Å; L119-C123 PolarHBondContact O-SG 3.41Å; L119-C123 VanDerWaalsContact O-SG 3.42Å; I120-C123 PolarHBondContact O-N 2.84Å; C123-D125 VanDerWaalsContact C-N 3.35Å; C123-D125 PolarHBondContact O-N 3.02Å; C123-A126 PolarHBondContact O-N 3.43Å; C123-L127 VanDerWaalsContact O-CD1 3.29Å; C123-L127 WeakPolarHBondContact O-CD1 3.43Å; C123-L127 WeakPolarHBondContact O-CG 3.06Å; C123-L127 PolarHBondContact O-N 2.93Å
124I64.8Low70.1Confident53 Ų5359.5 Ų59.527%0.27235%0.345SS..Hα-helixtrans-65.4-39.4179.6-66.9175.7000111.3T101 I120 P121 A126 L127 R128T101-I124 HydrophobicContact CG2-CB 4.47Å; T101-I124 HydrophobicContact CG2-CD1 3.83Å; T101-I124 HydrophobicContact CG2-CG1 3.58Å; T101-I124 HydrophobicContact CG2-CG2 4.26Å; I120-I124 HydrophobicContact CG2-CD1 3.53Å; I120-I124 HydrophobicContact CG2-CG1 4.33Å; I120-I124 WeakPolarHBondContact O-CB 3.47Å; I120-I124 WeakPolarHBondContact O-CG1 3.15Å; I120-I124 PolarHBondContact O-N 2.91Å; P121-I124 PolarHBondContact O-N 3.06Å; I124-A126 VanDerWaalsContact C-N 3.32Å; I124-A126 PolarHBondContact O-N 3.18Å; I124-L127 PolarHBondContact O-N 3.48Å; I124-R128 PolarHBondContact O-N 3.39Å
125D64.9Low71.6Confident62 Ų6256 Ų5633%0.33233%0.326SS..Hα-helixtrans-71.2-26178.4-74.9-38.7000113.5P121 C123 R128 R146P121-D125 WeakPolarHBondContact O-CB 3.29Å; P121-D125 PolarHBondContact O-N 3.49Å; C123-D125 VanDerWaalsContact C-N 3.35Å; C123-D125 PolarHBondContact O-N 3.02Å; D125-R128 IonicContact OD1-CZ 3.12Å; D125-R128 IonicContact OD1-NE 3.26Å; D125-R128 PolarHBondContact OD1-NE 2.98Å; D125-R128 VanDerWaalsContact OD1-NE 3.16Å; D125-R128 IonicContact OD1-NH1 2.9Å; D125-R128 PolarHBondContact OD1-NH1 2.89Å; D125-R128 IonicContact OD1-NH2 2.73Å; D125-R128 PolarHBondContact OD1-NH2 2.92Å; D125-R128 VanDerWaalsContact OD1-NH2 3.12Å; D125-R146 PolarHBondContact O-NH1 2.91Å
126A63.2Low73.1Confident41 Ų4156.7 Ų56.734%0.33932%0.318SS..Hα-helixtrans-77.8-27.7176.300000113.2F122 C123 I124F122-A126 PolarHBondContact O-N 3.31Å; C123-A126 PolarHBondContact O-N 3.43Å; I124-A126 VanDerWaalsContact C-N 3.32Å; I124-A126 PolarHBondContact O-N 3.18Å
127L64Low74.4Confident37 Ų3759 Ų5919%0.19433%0.332CS..Hα-helixtrans-104.4-3.2-170.5-70.8157.4000114.3L100 C123 I124 L147L100-L127 HydrophobicContact CB-CD1 4.33Å; L100-L127 HydrophobicContact CB-CD2 3.99Å; L100-L127 HydrophobicContact CD1-CD2 4.1Å; L100-L127 HydrophobicContact CD2-CD2 4.32Å; L100-L127 HydrophobicContact CG-CD2 4.36Å; C123-L127 VanDerWaalsContact O-CD1 3.29Å; C123-L127 WeakPolarHBondContact O-CD1 3.43Å; C123-L127 WeakPolarHBondContact O-CG 3.06Å; C123-L127 PolarHBondContact O-N 2.93Å; I124-L127 PolarHBondContact O-N 3.48Å; L127-L147 HydrophobicContact CD2-CD1 3.82Å
128R70.4Confident75.8Confident60 Ų6063.2 Ų63.223%0.22634%0.341CS..  trans-84.1129.8-179.664.5-172.6-174.9166.7-3.5111.3Y95 I124 D125Y95-R128 HydrophobicContact CD1-CG 4.14Å; I124-R128 PolarHBondContact O-N 3.39Å; D125-R128 IonicContact OD1-CZ 3.12Å; D125-R128 IonicContact OD1-NE 3.26Å; D125-R128 PolarHBondContact OD1-NE 2.98Å; D125-R128 VanDerWaalsContact OD1-NE 3.16Å; D125-R128 IonicContact OD1-NH1 2.9Å; D125-R128 PolarHBondContact OD1-NH1 2.89Å; D125-R128 IonicContact OD1-NH2 2.73Å; D125-R128 PolarHBondContact OD1-NH2 2.92Å; D125-R128 VanDerWaalsContact OD1-NH2 3.12Å
129D78.6Confident77.3Confident45 Ų4559.4 Ų59.424%0.24132%0.317CS..EExtended strand (participates in β ladder)trans-76.7143.2167.1-72.9-22.3000109.2T96 K145T96-D129 PolarHBondContact N-O 2.99Å; D129-K145 WeakPolarHBondContact OD1-CG 3.25Å; D129-K145 IonicContact OD2-NZ 3.16Å; D129-K145 PolarHBondContact OD2-NZ 2.8Å
130V84.1Confident78.5Confident1 Ų160.3 Ų60.31%0.00632%0.317CS..EExtended strand (participates in β ladder)trans-114.2111.6-179.2-1730000109.1L93 Y95 S143 Y144L93-V130 HydrophobicContact CB-CG1 4.17Å; L93-V130 HydrophobicContact CD1-CG1 4.3Å; L93-V130 HydrophobicContact CD2-CG1 3.72Å; L93-V130 HydrophobicContact CG-CG1 4.29Å; Y95-V130 HydrophobicContact CD1-CG1 4.42Å; Y95-V130 HydrophobicContact CD1-CG2 3.8Å; Y95-V130 HydrophobicContact CE1-CB 4.44Å; Y95-V130 HydrophobicContact CE1-CG1 4.05Å; Y95-V130 HydrophobicContact CE1-CG2 3.63Å; V130-S143 CarbonylContact O-C 3.59Å; V130-S143 VanDerWaalsContact O-CA 3.28Å; V130-S143 WeakPolarHBondContact O-CA 3.46Å; V130-Y144 PolarHBondContact N-O 3.47Å; V130-Y144 PolarHBondContact O-N 3.09Å
131D88.1Confident79.3Confident32 Ų3259.2 Ų59.217%0.17131%0.312CS..EExtended strand (participates in β ladder)trans-98129.5177-62.4-42.5000110.4L93 S94 F133 F140 S143L93-D131 CarbonylContact C-O 3.51Å; L93-D131 WeakPolarHBondContact CA-O 3.36Å; S94-D131 PolarHBondContact N-O 3.44Å; S94-D131 PolarHBondContact O-N 3.47Å; D131-F133 HydrophobicContact CB-CD2 4.28Å; D131-F133 HydrophobicContact CB-CE2 3.48Å; D131-F133 VanDerWaalsContact CB-CE2 3.48Å; D131-F133 HydrophobicContact CB-CZ 4.08Å; D131-F140 HydrophobicContact CB-CE2 4.34Å; D131-S143 VanDerWaalsContact OD1-CB 3.28Å; D131-S143 WeakPolarHBondContact OD1-CB 3.27Å; D131-S143 PolarHBondContact OD1-OG 3.19Å
132H89.1Confident80.3Confident0 Ų056 Ų560%029%0.293CS..EExtended strand (participates in β ladder)trans-100.2124.6179.4-66.7-110.2000110.7F73 Y74 R76 T91 H92 L93 V141 G142F73-H132 HydrophobicContact CD1-CB 4.06Å; F73-H132 AromaticContact CD1-CD2 3.67Å; F73-H132 AromaticContact CD1-CE1 3.85Å; F73-H132 AromaticContact CD1-CG 3.57Å; F73-H132 AromaticContact CD1-ND1 3.69Å; F73-H132 AromaticContact CD1-NE2 3.86Å; F73-H132 HydrophobicContact CE1-CB 4.19Å; Y74-H132 PolarHBondContact O-NE2 3.43Å; Y74-H132 VanDerWaalsContact O-NE2 3.15Å; R76-H132 PolarHBondContact O-CE1 3.46Å; T91-H132 HydrophobicContact CG2-CB 4.14Å; T91-H132 PolarHBondContact OG1-ND1 2.82Å; H92-H132 WeakPolarHBondContact O-CA 3.46Å; L93-H132 WeakPolarHBondContact CD2-CE1 3.45Å; L93-H132 WeakPolarHBondContact CD2-ND1 3.3Å; H132-V141 HydrophobicContact CB-CB 4.29Å; H132-V141 WeakPolarHBondContact O-CB 3.3Å; H132-V141 PolarHBondContact O-N 3.5Å; H132-G142 WeakPolarHBondContact CB-O 3.41Å; H132-G142 PolarHBondContact N-O 2.91Å
133F91Very high81.2Confident63 Ų6350.5 Ų50.528%0.27628%0.275SS..EExtended strand (participates in β ladder)trans-119.2149.5177.4-64.7-88.1000111.6H92 D131 A139 F140H92-F133 PolarHBondContact N-O 2.86Å; H92-F133 PolarHBondContact O-N 2.93Å; D131-F133 HydrophobicContact CB-CD2 4.28Å; D131-F133 HydrophobicContact CB-CE2 3.48Å; D131-F133 VanDerWaalsContact CB-CE2 3.48Å; D131-F133 HydrophobicContact CB-CZ 4.08Å; F133-A139 WeakPolarHBondContact CA-O 3.36Å; F133-F140 HydrophobicContact CD1-CB 4.3Å; F133-F140 HydrophobicContact CD1-CD2 4.5Å; F133-F140 HydrophobicContact CE1-CB 4.07Å; F133-F140 AromaticContact CE1-CD2 3.96Å; F133-F140 HydrophobicContact CE1-CD2 3.96Å; F133-F140 HydrophobicContact CZ-CD2 4.1Å
134C90.3Very high82.1Confident1 Ų151.6 Ų51.61%0.00727%0.273CS..  trans-75.9126.9171.8179.10000110.6C82 N136 C137 K138 A139 V141C82-C134 VanDerWaalsContact SG-SG 3.61Å; C134-N136 VanDerWaalsContact C-N 3.25Å; C134-N136 PolarHBondContact O-N 3Å; C134-N136 PolarHBondContact SG-N 3.38Å; C134-C137 VanDerWaalsContact CB-SG 3.54Å; C134-C137 PolarHBondContact SG-SG 3.24Å; C134-K138 WeakPolarHBondContact O-CA 3.22Å; C134-K138 PolarHBondContact O-N 2.98Å; C134-A139 HydrophobicContact CB-CB 4.5Å; C134-A139 PolarHBondContact N-O 3.48Å; C134-V141 HydrophobicContact CB-CG2 4.29Å
135P91.2Very high82.6Confident73 Ų7355.2 Ų55.247%0.47429%0.287SS..THydrogen-bonded Turntrans-69.7-21.6178.629.2-36.8000113.5I89 V90I89-P135 HydrophobicContact CB-CG 4.14Å; I89-P135 HydrophobicContact CG2-CG 4.39Å; V90-P135 VanDerWaalsContact O-CD 3.32Å; V90-P135 WeakPolarHBondContact O-CD 3.32Å; V90-P135 WeakPolarHBondContact O-CG 3.49Å
136N91.3Very high82.7Confident96 Ų9657.8 Ų57.851%0.51329%0.292SS..THydrogen-bonded Turntrans-83.7-51.9-179.1-82.9-77.2000112.5I89 C134I89-N136 WeakPolarHBondContact CG2-ND2 3.04Å; C134-N136 VanDerWaalsContact C-N 3.25Å; C134-N136 PolarHBondContact O-N 3Å; C134-N136 PolarHBondContact SG-N 3.38Å
137C89.6Confident82.5Confident56 Ų5664.4 Ų64.438%0.37832%0.321SS..THydrogen-bonded Turntrans-109.7-1.8-174.260.80000113.9C82 C85 C134 A139C82-C137 VanDerWaalsContact SG-SG 3.67Å; C85-C137 HydrophobicContact CB-CB 4.28Å; C134-C137 VanDerWaalsContact CB-SG 3.54Å; C134-C137 PolarHBondContact SG-SG 3.24Å; C137-A139 PolarHBondContact O-N 3.14Å; C137-A139 VanDerWaalsContact SG-CB 3.5Å
138K90.8Very high83.4Confident173 Ų17365.8 Ų65.875%0.75233%0.327SS*.  trans57.113.5-175-55.5-171.5-179.6179.50114.6C134C134-K138 WeakPolarHBondContact O-CA 3.22Å; C134-K138 PolarHBondContact O-N 2.98Å
139A89.1Confident84.1Confident22 Ų2266.1 Ų66.118%0.18233%0.332CS..  trans-63.3137.8174.700000110.1S84 F133 C134 C137S84-A139 VanDerWaalsContact OG-CB 3.27Å; S84-A139 WeakPolarHBondContact OG-CB 3.26Å; F133-A139 WeakPolarHBondContact CA-O 3.36Å; C134-A139 HydrophobicContact CB-CB 4.5Å; C134-A139 PolarHBondContact N-O 3.48Å; C137-A139 PolarHBondContact O-N 3.14Å; C137-A139 VanDerWaalsContact SG-CB 3.5Å
140F88.8Confident84.4Confident114 Ų11467.3 Ų67.350%0.534%0.337SS..EExtended strand (participates in β ladder)trans-68.4131.5170.6174.6-101.1000109.5D131 F133 S143D131-F140 HydrophobicContact CB-CE2 4.34Å; F133-F140 HydrophobicContact CD1-CB 4.3Å; F133-F140 HydrophobicContact CD1-CD2 4.5Å; F133-F140 HydrophobicContact CE1-CB 4.07Å; F133-F140 AromaticContact CE1-CD2 3.96Å; F133-F140 HydrophobicContact CE1-CD2 3.96Å; F133-F140 HydrophobicContact CZ-CD2 4.1Å; F140-S143 WeakPolarHBondContact CE2-OG 3.47Å; F140-S143 WeakPolarHBondContact CZ-OG 3.25Å
141V87.9Confident84.4Confident26 Ų2671.2 Ų71.216%0.15836%0.357CS..EExtended strand (participates in β ladder)trans-107.4-43-174-170.70000110.9F73 M80 T91 H132 C134F73-V141 HydrophobicContact CE1-CB 4.49Å; F73-V141 HydrophobicContact CE1-CG1 3.86Å; F73-V141 HydrophobicContact CZ-CG1 3.68Å; M80-V141 HydrophobicContact CE-CG1 3.46Å; M80-V141 VanDerWaalsContact CE-CG1 3.46Å; M80-V141 HydrophobicContact SD-CG1 3.43Å; M80-V141 WeakPolarHBondContact SD-CG1 3.48Å; T91-V141 HydrophobicContact CG2-CB 4.47Å; T91-V141 HydrophobicContact CG2-CG1 4.41Å; T91-V141 HydrophobicContact CG2-CG2 4.27Å; H132-V141 HydrophobicContact CB-CB 4.29Å; H132-V141 WeakPolarHBondContact O-CB 3.3Å; H132-V141 PolarHBondContact O-N 3.5Å; C134-V141 HydrophobicContact CB-CG2 4.29Å
142G83.4Confident84.2Confident9 Ų973.6 Ų73.69%0.09337%0.369CS..EExtended strand (participates in β ladder)trans175.1163.1179.600000111.4H132H132-G142 WeakPolarHBondContact CB-O 3.41Å; H132-G142 PolarHBondContact N-O 2.91Å
143S83Confident83.9Confident49 Ų4978.5 Ų78.534%0.34339%0.393SS..EExtended strand (participates in β ladder)trans-119.3140.7173.9-56.80000109.8V130 D131 F140V130-S143 CarbonylContact O-C 3.59Å; V130-S143 VanDerWaalsContact O-CA 3.28Å; V130-S143 WeakPolarHBondContact O-CA 3.46Å; D131-S143 VanDerWaalsContact OD1-CB 3.28Å; D131-S143 WeakPolarHBondContact OD1-CB 3.27Å; D131-S143 PolarHBondContact OD1-OG 3.19Å; F140-S143 WeakPolarHBondContact CE2-OG 3.47Å; F140-S143 WeakPolarHBondContact CZ-OG 3.25Å
144Y81.6Confident83.4Confident70 Ų7079.6 Ų79.628%0.27540%0.401SS..EExtended strand (participates in β ladder)trans-104.3110.2166.7177.6-113.6000108.9F73 V130 R146F73-Y144 WeakPolarHBondContact O-CD2 3.35Å; V130-Y144 PolarHBondContact N-O 3.47Å; V130-Y144 PolarHBondContact O-N 3.09Å; Y144-R146 HydrophobicContact CD1-CG 3.99Å; Y144-R146 HydrophobicContact CE1-CG 3.34Å
145K74.8Confident82.9Confident129 Ų12985.7 Ų85.756%0.56143%0.432SS*.  trans-99.5130.2172.6-60.1-171.4169.5-96.70108.6D129D129-K145 WeakPolarHBondContact OD1-CG 3.25Å; D129-K145 IonicContact OD2-NZ 3.16Å; D129-K145 PolarHBondContact OD2-NZ 2.8Å
146R67.2Low82.2Confident116 Ų11686.8 Ų86.844%0.43843%0.428SS..  trans-88.2-11.2-179.6-66.2-178.6108.2-174.23.1113.2D125 Y144D125-R146 PolarHBondContact O-NH1 2.91Å; Y144-R146 HydrophobicContact CD1-CG 3.99Å; Y144-R146 HydrophobicContact CE1-CG 3.34Å
147L58.4Low81.3Confident181 Ų18185.9 Ų85.995%0.94842%0.421SS*.  trans-137.40-179.7-74.5118.9000111.8L127L127-L147 HydrophobicContact CD2-CD1 3.82Å

Retrieved 147 of 147 residues in 83.8 ms (Link to these results)