A0A087YJ77_POEFO Loading...

Filamin binding LIM protein 1

AlphaFold DB , UniProt , Accession A0A087YJ77, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 381 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
1M37.1Very low46.4Very low247 Ų247133.7 Ų133.7100%1.21775%0.75SS**  0125.10-68.6165.4173.700107
2A34.1Very low48.8Very low106 Ų106126.8 Ų126.888%0.87672%0.717SS**  trans-100.5117.9178.300000108.9A4A2-A4 PolarHBondContact O-N 3.12Å
3S39.3Very low51.1Low124 Ų124122 Ų12287%0.86770%0.697SS**  trans-70.8113.3173.2-59.30000109.2A5S3-A5 PolarHBondContact O-N 2.81Å
4A40.2Very low52.9Low97 Ų97116.5 Ų116.580%0.80267%0.666SS**PPolyproline II helixtrans-64.3122.9166.800000108.6A2A2-A4 PolarHBondContact O-N 3.12Å
5A38.1Very low54.5Low81 Ų81119.7 Ų119.767%0.66967%0.67SS**PPolyproline II helixtrans-64.3144.3172.200000109.7S3 Q7S3-A5 PolarHBondContact O-N 2.81Å; A5-Q7 PolarHBondContact O-N 3.46Å
6P39.7Very low55.6Low125 Ų125114 Ų11481%0.81264%0.637SS**PPolyproline II helixtrans-58.8130176.525.4-33.8000109.6
7Q43.1Very low55.7Low160 Ų160114.6 Ų114.675%0.74865%0.645SS**PPolyproline II helixtrans-65138.6-179.4-72.3-176.1-21.700110.3A5A5-Q7 PolarHBondContact O-N 3.46Å
8K46.4Very low55.9Low196 Ų196109.9 Ų109.985%0.85262%0.618SS**PPolyproline II helixtrans-61.3150.2-177.3-57.1176.4-177.1-179.50109.8M10K8-M10 PolarHBondContact O-N 2.89Å; K8-M10 VanDerWaalsContact O-N 3.09Å
9R54.3Low55.8Low226 Ų226106.3 Ų106.385%0.85360%0.6SS**  trans-27.9110.1-179.2-87.1-177169.2172.5-5.5112.5V11R9-V11 VanDerWaalsContact C-N 3.31Å
10M68Low55.8Low90 Ų90104.8 Ų104.844%0.44360%0.602SS.*SBendtrans-87.3-4.4178.5-56.5-176.98300113K8 P362K8-M10 PolarHBondContact O-N 2.89Å; K8-M10 VanDerWaalsContact O-N 3.09Å; M10-P362 HydrophobicContact CE-CG 4.44Å
11V70.1Confident56.3Low19 Ų19103.4 Ų103.412%0.11560%0.596CS.*EExtended strand (participates in β ladder)trans-136.2143.2179.8-167.20000108.7R9 V330 E331 C332 Y342 P353 C360R9-V11 VanDerWaalsContact C-N 3.31Å; V11-V330 HydrophobicContact CG1-CG1 3.81Å; V11-E331 VanDerWaalsContact CA-O 3.3Å; V11-E331 WeakPolarHBondContact CA-O 3.17Å; V11-E331 WeakPolarHBondContact CG1-O 3.3Å; V11-C332 HydrophobicContact CG1-CB 4.33Å; V11-C332 HydrophobicContact CG2-CB 4.29Å; V11-Y342 HydrophobicContact CG1-CE2 4.47Å; V11-Y342 WeakPolarHBondContact CG1-OH 3.41Å; V11-Y342 WeakPolarHBondContact CG2-OH 3.29Å; V11-P353 HydrophobicContact CG1-CB 4.1Å; V11-C360 HydrophobicContact CG2-CB 4.35Å
12S75.8Confident57.9Low50 Ų5095.8 Ų95.835%0.3556%0.558SS.*EExtended strand (participates in β ladder)trans-134.5141.4162.6-160.90000109.8E331S12-E331 PolarHBondContact N-O 3.47Å; S12-E331 PolarHBondContact O-N 3.43Å
13S78.2Confident59.9Low65 Ų65100.3 Ų100.346%0.45555%0.552SS.*EExtended strand (participates in β ladder)trans-77.2142.9151.4440000108.4T329S13-T329 WeakPolarHBondContact CA-O 3.21Å
14V76.1Confident61.3Low45 Ų4594.8 Ų94.827%0.27351%0.514SS..EExtended strand (participates in β ladder)trans-134.1124.1174.1-173.20000106.6Y328 T329 E331V14-Y328 CarbonylContact O-C 3.54Å; V14-Y328 WeakPolarHBondContact O-CA 3.43Å; V14-Y328 WeakPolarHBondContact O-CB 3.41Å; V14-T329 PolarHBondContact N-O 3.4Å; V14-T329 PolarHBondContact O-N 2.96Å; V14-T329 PolarHBondContact O-OG1 3.19Å; V14-T329 VanDerWaalsContact O-OG1 3.1Å; V14-E331 HydrophobicContact CG2-CG 4.26Å
15F76.7Confident63.1Low165 Ų16594.2 Ų94.272%0.72450%0.501SS*.EExtended strand (participates in β ladder)trans-61.5144.4171-71.3-74.9000109.1T17F15-T17 VanDerWaalsContact C-N 3.35Å; F15-T17 PolarHBondContact O-N 2.97Å
16I72.3Confident64.9Low28 Ų2893.2 Ų93.214%0.14449%0.486CS..  trans-71.891.9-174.4-58-163.8000109.8L18 I318 P320 D326 T329I16-L18 HydrophobicContact CG2-CB 4.04Å; I16-L18 HydrophobicContact CG2-CD1 3.46Å; I16-L18 VanDerWaalsContact CG2-CD1 3.46Å; I16-L18 HydrophobicContact CG2-CG 3.55Å; I16-L18 PolarHBondContact O-N 3.3Å; I16-I318 HydrophobicContact CD1-CB 4.48Å; I16-I318 HydrophobicContact CD1-CG2 3.73Å; I16-P320 HydrophobicContact CB-CG 3.99Å; I16-P320 HydrophobicContact CD1-CG 3.98Å; I16-P320 HydrophobicContact CG1-CG 4.37Å; I16-P320 HydrophobicContact CG2-CG 4.08Å; I16-D326 WeakPolarHBondContact CD1-O 3.43Å; I16-T329 HydrophobicContact CD1-CG2 3.88Å; I16-T329 HydrophobicContact CG1-CG2 4.01Å
17T57.4Low66.7Low124 Ų12489.4 Ų89.476%0.76146%0.461SS*.  trans-76.222.6-17746.70000114F15 S19F15-T17 VanDerWaalsContact C-N 3.35Å; F15-T17 PolarHBondContact O-N 2.97Å; T17-S19 PolarHBondContact O-N 3.24Å
18L60.1Low68Low31 Ų3186.6 Ų86.616%0.16245%0.447CS..SBendtrans-56.9131.1164.7-66.1176.6000107.9I16 A20 Y303 Y304 Y307 A308I16-L18 HydrophobicContact CG2-CB 4.04Å; I16-L18 HydrophobicContact CG2-CD1 3.46Å; I16-L18 VanDerWaalsContact CG2-CD1 3.46Å; I16-L18 HydrophobicContact CG2-CG 3.55Å; I16-L18 PolarHBondContact O-N 3.3Å; L18-A20 PolarHBondContact O-N 2.85Å; L18-Y303 HydrophobicContact CB-CE1 4.02Å; L18-Y303 HydrophobicContact CD2-CE1 4.48Å; L18-Y304 HydrophobicContact CB-CD1 4.48Å; L18-Y304 HydrophobicContact CB-CE1 4.11Å; L18-Y304 HydrophobicContact CD1-CD1 3.62Å; L18-Y304 HydrophobicContact CD1-CE1 3.91Å; L18-Y307 WeakPolarHBondContact CD2-O 3.3Å; L18-A308 HydrophobicContact CD1-CB 3.95Å
19S52.7Low68.9Low40 Ų4078.5 Ų78.528%0.2841%0.413SS..PPolyproline II helixtrans-48.1123.8-160.564.10000112T17 Y303T17-S19 PolarHBondContact O-N 3.24Å; S19-Y303 PolarHBondContact N-OH 3.17Å; S19-Y303 PolarHBondContact OG-OH 2.95Å; S19-Y303 VanDerWaalsContact OG-OH 3.09Å
20A57.5Low69Low77 Ų7776 Ų7664%0.63641%0.411SS*.PPolyproline II helixtrans-49129.5-167.300000111.5L18 H22L18-A20 PolarHBondContact O-N 2.85Å; A20-H22 PolarHBondContact O-CD2 2.85Å; A20-H22 PolarHBondContact O-N 3.28Å
21P64.7Low68.3Low75 Ų7574 Ų7449%0.48740%0.4SS..  trans-59.9107-168.520.9-33000111.4A288 L300P21-A288 HydrophobicContact CB-CB 4.09Å; P21-L300 HydrophobicContact CB-CD1 3.94Å; P21-L300 HydrophobicContact CB-CD2 3.94Å
22H71.7Confident67.2Low88 Ų8878.7 Ų78.741%0.40742%0.421SS..EExtended strand (participates in β ladder)trans-68.5143.3175.4-70.5-89.3000109.1A20 A288 F289A20-H22 PolarHBondContact O-CD2 2.85Å; A20-H22 PolarHBondContact O-N 3.28Å; H22-A288 CarbonylContact O-C 3.51Å; H22-A288 VanDerWaalsContact O-CA 3.31Å; H22-A288 WeakPolarHBondContact O-CA 3.39Å; H22-F289 HydrophobicContact CB-CD1 4.11Å; H22-F289 HydrophobicContact CB-CD2 4.29Å; H22-F289 HydrophobicContact CB-CE1 3.62Å; H22-F289 HydrophobicContact CB-CE2 3.82Å; H22-F289 HydrophobicContact CB-CG 4.42Å; H22-F289 HydrophobicContact CB-CZ 3.45Å; H22-F289 VanDerWaalsContact CB-CZ 3.45Å; H22-F289 PolarHBondContact N-O 3.48Å; H22-F289 WeakPolarHBondContact O-CD1 3.44Å; H22-F289 PolarHBondContact O-N 3.33Å
23R75Confident65.6Low200 Ų20080.7 Ų80.776%0.75543%0.425SS*.EExtended strand (participates in β ladder)trans-116.9124.9175.3-161175-169.61694.5109.1
24A69.3Low63.8Low8 Ų885 Ų857%0.06644%0.438CS..  trans-75.2133.6-178.800000110.4V26 I263 A265 F275 G285 F289A24-V26 PolarHBondContact O-N 3.26Å; A24-I263 HydrophobicContact CB-CG2 3.76Å; A24-A265 HydrophobicContact CB-CB 4.23Å; A24-F275 HydrophobicContact CB-CD1 4.46Å; A24-F275 HydrophobicContact CB-CE1 3.72Å; A24-F275 HydrophobicContact CB-CZ 4.15Å; A24-G285 WeakPolarHBondContact CB-O 3.41Å; A24-F289 HydrophobicContact CB-CD1 4.28Å; A24-F289 HydrophobicContact CB-CE1 3.9Å
25T78.2Confident61.8Low85 Ų8590.2 Ų90.252%0.52146%0.459SS..EExtended strand (participates in β ladder)trans-88.7111.3177.6-55.80000108.9T27 R264T25-T27 HydrophobicContact CG2-CG2 4.06Å; T25-R264 PolarHBondContact N-O 3.4Å; T25-R264 PolarHBondContact O-N 3.28Å
26V76.8Confident59.8Low61 Ų6186.7 Ų86.737%0.3745%0.453SS..EExtended strand (participates in β ladder)trans-83.9115.3173.6-171.20000109A24 I263 A286A24-V26 PolarHBondContact O-N 3.26Å; V26-I263 HydrophobicContact CB-CD1 4.34Å; V26-I263 HydrophobicContact CG1-CD1 4.1Å; V26-I263 HydrophobicContact CG2-CD1 3.66Å; V26-A286 HydrophobicContact CG2-CB 3.69Å
27T77.1Confident57.7Low45 Ų4590 Ų9028%0.27648%0.484SS..EExtended strand (participates in β ladder)trans-117.9126.6172.555.10000109.6T25 I262 R264T25-T27 HydrophobicContact CG2-CG2 4.06Å; T27-I262 PolarHBondContact N-O 2.9Å; T27-I262 PolarHBondContact O-N 2.88Å; T27-R264 PolarHBondContact OG1-NE 3.26Å
28Q69.4Low56.4Low100 Ų10092 Ų9247%0.46749%0.489SS..EExtended strand (participates in β ladder)trans-61.1140.4158.8-67.3-175.34.900108.4Q30 Q261Q28-Q30 PolarHBondContact O-N 3.16Å; Q28-Q261 HydrophobicContact CG-CG 4.49Å
29Q65.9Low54.9Low27 Ų27101.7 Ų101.713%0.12652%0.524CS..  trans-67.5103.9177.7-170.7175.38300108.7Q31 I258 D260 I262Q29-Q31 PolarHBondContact O-N 3.02Å; Q29-I258 PolarHBondContact NE2-O 2.88Å; Q29-I258 PolarHBondContact OE1-O 3.22Å; Q29-D260 PolarHBondContact N-O 2.98Å; Q29-I262 HydrophobicContact CB-CD1 3.65Å; Q29-I262 HydrophobicContact CB-CG1 4.33Å; Q29-I262 HydrophobicContact CG-CD1 3.79Å
30Q56.3Low53.6Low174 Ų174105.5 Ų105.581%0.81355%0.545SS*.  trans-58.3104.2-158.9-175.6-17971.900113Q28Q28-Q30 PolarHBondContact O-N 3.16Å
31Q53.7Low52.5Low46 Ų46110.7 Ų110.722%0.21556%0.556CS.*  trans-96.5111.7167.5-69.2-162.4-13.300110Q29 Q33 P152 Y244Q29-Q31 PolarHBondContact O-N 3.02Å; Q31-Q33 VanDerWaalsContact C-N 3.28Å; Q31-Q33 PolarHBondContact O-N 3.47Å; Q31-P152 VanDerWaalsContact NE2-CA 3.35Å; Q31-P152 VanDerWaalsContact OE1-CA 3.24Å; Q31-Y244 PolarHBondContact NE2-OH 2.83Å
32Q46.2Very low50.7Low118 Ų118110.8 Ų110.855%0.55157%0.571SS**  trans-78.379.3-176.6-164.6167.446.800110.1Q34Q32-Q34 PolarHBondContact O-N 2.92Å
33Q42.9Very low48.4Very low93 Ų93110.2 Ų110.244%0.43559%0.589SS.*  trans-57.7125170.5-70.5-165.420.700110.1Q31 V153Q31-Q33 VanDerWaalsContact C-N 3.28Å; Q31-Q33 PolarHBondContact O-N 3.47Å; Q33-V153 HydrophobicContact CG-CG2 4.02Å
34Q39.8Very low46.6Very low154 Ų154106.4 Ų106.472%0.7259%0.59SS**  trans-121.591.2156-70-172.77.200107.3Q32Q32-Q34 PolarHBondContact O-N 2.92Å
35Q33.8Very low44.6Very low155 Ų155112.4 Ų112.472%0.72462%0.621SS**  trans-91.7136.5162.3-63.3-167.54700108.4
36P35.6Very low42.3Very low92 Ų92117.8 Ų117.860%0.59763%0.632SS**  trans-69.8140.8176.629.6-34.1000110.7L38P36-L38 PolarHBondContact O-N 3.29Å
37A27.2Very low39.9Very low97 Ų97120.9 Ų120.980%0.80264%0.642SS**  trans-75.884179.700000111.8R39A37-R39 PolarHBondContact O-N 3.11Å
38L30.3Very low37.7Very low165 Ų165125.9 Ų125.986%0.86466%0.662SS**  trans-73.3115165.6-66.9176.8000109.5P36P36-L38 PolarHBondContact O-N 3.29Å
39R28.9Very low35.7Very low236 Ų236126.2 Ų126.289%0.89168%0.675SS**  trans-130.496.2179-93.7-170.4161-159.2-5112.2A37A37-R39 PolarHBondContact O-N 3.11Å
40T26.3Very low33.8Very low119 Ų119129.5 Ų129.573%0.7371%0.707SS**  trans-145.8145.5159.359.70000106.6
41H33.2Very low32.4Very low186 Ų186126.3 Ų126.386%0.86171%0.711SS**  cis-132.2173.9-2.2-52.3-106.2000107.1
42G26.5Very low31.1Very low77 Ų77127.1 Ų127.179%0.79473%0.731SS**  cis167.6128.6-8.700000112.9
43G23.9Very low30.2Very low77 Ų77129.4 Ų129.479%0.79475%0.747SS**  trans79.4170.7156.900000119.5
44P37.9Very low29.5Very low119 Ų119131.5 Ų131.577%0.77376%0.762SS**  cis-125-169.4-7.242.4-28.1000114.4
45D26.7Very low29Very low134 Ų134130.8 Ų130.872%0.71776%0.762SS**  trans86.9122155.3-97.4-76.5000123.7
46R28.9Very low28.8Very low198 Ų198128 Ų12875%0.74776%0.76SS**  trans70.5108.5141-87.7170.8167.1-144.8-7.6124.3
47Q27.7Very low28.5Very low126 Ų126128.4 Ų128.459%0.58977%0.765SS**  100.1131.8116.2-90.1170.6-46.200121.7
48H31.2Very low28.7Very low150 Ų150130.4 Ų130.469%0.69476%0.761SS**  trans85.695152.8-55.9147.4000121.7
49S26.8Very low28.7Very low107 Ų107132.5 Ų132.575%0.74876%0.757SS**  85.2120.8109.5-58.80000122.8
50A26.5Very low28.7Very low96 Ų96129.8 Ų129.879%0.79375%0.747SS**  trans84.5125.5132.100000121.9
51A27Very low28.9Very low108 Ų108132.1 Ų132.189%0.89374%0.743SS**  trans58.6149.1154.800000119.5
52G26.5Very low28.6Very low62 Ų62126.3 Ų126.364%0.63973%0.727SS**  cis175.8154.2-7.100000113
53D26.9Very low28.7Very low166 Ų166129.7 Ų129.789%0.88872%0.722SS**  trans67153.9154.2-60.6-70.6000123.7
54D27.5Very low28.8Very low138 Ų138130.8 Ų130.874%0.73871%0.706SS**  trans69.290157.4-117.3-127.2000124.8
55L30.6Very low28.3Very low139 Ų139130.2 Ų130.273%0.72870%0.701SS**  62.9136.9105.9-153.975.8000122.6
56S29.4Very low28.5Very low96 Ų96126 Ų12667%0.67168%0.682SS**  trans71.6152.9148.458.90000120.6
57S29.7Very low29Very low101 Ų101121.8 Ų121.871%0.70668%0.68SS**  cis-171.7168.2-17.3-101.80000113
58L30.6Very low29.1Very low138 Ų138119.9 Ų119.972%0.72369%0.686SS**  trans70.7123.2161.3-90.675.6000117.5
59R29.8Very low29.2Very low209 Ų209119.7 Ų119.779%0.78969%0.69SS**  72.414176.5-71.6-169.4-175.3170.1-1.9113.4
60R28.8Very low29.5Very low179 Ų179120.1 Ų120.168%0.67569%0.688SS**  cis-168155.46.4-130.4-177.8172.8-154.8-3.9111.2
61R30.3Very low29.7Very low169 Ų169118.5 Ų118.564%0.63868%0.681SS**  trans47154.9141.7-82.6-172.5155.7-94.8-5.4120.3E63R61-E63 IonicContact CZ-OE2 2.7Å; R61-E63 IonicContact NH1-OE2 3.3Å; R61-E63 PolarHBondContact NH1-OE2 2.91Å; R61-E63 IonicContact NH2-OE2 3.3Å
62A28Very low30.1Very low64 Ų64124.3 Ų124.353%0.52968%0.68SS.*  cis-171.2166.7-7.800000110
63E28.1Very low30.4Very low148 Ų148126.5 Ų126.569%0.69268%0.677SS**  trans44.4146.3135.5-62.5169.38700120.7R61R61-E63 IonicContact CZ-OE2 2.7Å; R61-E63 IonicContact NH1-OE2 3.3Å; R61-E63 PolarHBondContact NH1-OE2 2.91Å; R61-E63 IonicContact NH2-OE2 3.3Å
64E26.6Very low30.6Very low100 Ų100128.5 Ų128.547%0.46767%0.672SS.*  cis-165.3174.40.4-116.9-71.372.100111.4K188E64-K188 IonicContact OE1-NZ 2.69Å; E64-K188 PolarHBondContact OE1-NZ 3.47Å; E64-K188 IonicContact OE2-NZ 3.74Å
65T26.4Very low30.9Very low106 Ų106128.1 Ų128.165%0.6568%0.675SS**  trans53.8143.8154.145.30000124.1
66S31.6Very low30.8Very low47 Ų47125 Ų12533%0.32968%0.676SS.*  trans-106.6-177.7158.6-65.20000110.7K196S66-K196 WeakPolarHBondContact OG-CB 3.08Å; S66-K196 WeakPolarHBondContact OG-CD 3.33Å; S66-K196 VanDerWaalsContact OG-CE 3.29Å; S66-K196 WeakPolarHBondContact OG-CE 3.21Å; S66-K196 WeakPolarHBondContact OG-CG 3.16Å
67P39.2Very low30.8Very low109 Ų109126.1 Ų126.171%0.70869%0.691SS**  -145.7-173.7100.236.2-18.9000116K196P67-K196 PolarHBondContact O-NZ 3.17Å; P67-K196 VanDerWaalsContact O-NZ 3.12Å
68A29.9Very low30.7Very low85 Ų85124.8 Ų124.870%0.70269%0.693SS**  trans20.4149.6159.700000123.1
69N32.3Very low32Very low147 Ų147124.7 Ų124.779%0.78670%0.701SS**  cis70.6144.940.4-108.9-19.5000114.1
70T33.6Very low32Very low115 Ų115118.3 Ų118.371%0.70670%0.7SS**  cis-155.2166.313.1-24.50000107.6
71G30.8Very low32Very low62 Ų62114.5 Ų114.564%0.63971%0.707SS**  cis128.1161.1-1.600000113.2
72R36.3Very low32Very low230 Ų230116.3 Ų116.387%0.86872%0.719SS**  trans85.1161.6175-53-178.4175.6-164.4-4.1116.3
73N32.8Very low32Very low108 Ų108117.1 Ų117.158%0.57873%0.726SS**  cis-162.5176.55.8-129.216.8000108.9
74W30.3Very low32.1Very low209 Ų209116.5 Ų116.579%0.79274%0.738SS**  cis-169170-14.3-138.44.6000111.5
75T34.2Very low32.1Very low130 Ų130115.2 Ų115.280%0.79875%0.751SS**  trans59.5152156.352.90000121.7
76G28.6Very low33.7Very low73 Ų73116.2 Ų116.275%0.75376%0.759SS**  cis165.9167.8-9.200000115.4
77A29.2Very low33.6Very low120 Ų120122.8 Ų122.899%0.99279%0.785SS**  trans85.7162164.200000123
78G26.9Very low33.1Very low72 Ų72122 Ų12274%0.74278%0.782SS**  trans-174.6-159.5179.200000108.8
79P59.3Low33.4Very low137 Ų137126.6 Ų126.689%0.8979%0.789SS**  cis-132.4-170.4-15.443.5-26.5000114.3
80G29.4Very low33.9Very low75 Ų75124.8 Ų124.877%0.77379%0.785SS**  trans166.3103.1161.300000123.7
81A29.4Very low33.8Very low98 Ų98129.3 Ų129.381%0.8179%0.789SS**  trans53.7138.5133.400000127.5
82K28.4Very low34.1Very low208 Ų208132.2 Ų132.290%0.90480%0.797SS**  trans71.9156.2152.9-71.6-178.3179-179.10119.6
83A27.9Very low34Very low81 Ų81123.9 Ų123.967%0.66978%0.777SS**  cis-172.3175.6-22.100000112
84S30.8Very low34.7Very low135 Ų135124 Ų12494%0.94478%0.784SS**  trans82.8163.8159.9-58.20000120.1
85G27.4Very low34.6Very low72 Ų72120.7 Ų120.774%0.74279%0.787SS**  trans-130.1-150.1-159.700000117.4
86P60.5Low34.3Very low127 Ų127117.9 Ų117.983%0.82578%0.784SS**  trans-113.1163.3-144.141.2-36.9000117.3
87Q29.5Very low34.3Very low186 Ų186119.1 Ų119.187%0.86979%0.787SS**  trans-170.5151.7148.9-114.6176.710.100117.5
88S28.7Very low34.3Very low91 Ų91119.4 Ų119.464%0.63678%0.776SS**  trans65103.3139.6-57.40000125.3
89Q34.6Very low34.4Very low183 Ų183124.9 Ų124.986%0.85578%0.78SS**  48.4-173.6114.6-59.3-166.8-7.700121.2
90P44.3Very low33Very low109 Ų109122.2 Ų122.271%0.70877%0.77SS**  -130.8-178.9-78.442.3-27.2000116.4
91R31.1Very low32.9Very low209 Ų209126.3 Ų126.379%0.78977%0.769SS**  trans-15.2148.8159-155.9-155.8-172.6-157.15.8118.4
92P37.6Very low33Very low123 Ų123127.1 Ų127.180%0.79976%0.763SS**  -126.6161.7125.938.2-32.4000114.4
93A32.9Very low33.1Very low55 Ų55125.2 Ų125.246%0.45576%0.757SS.*  trans-110.4-174.9158.800000108.5
94P46.9Very low33.2Very low112 Ų112128 Ų12873%0.72776%0.757SS**  -150.4170.594.341.8-25.6000116.6
95T28.8Very low33.1Very low139 Ų139129.5 Ų129.585%0.85375%0.746SS**  trans13.3147.8146.6610000121.8
96G27.6Very low33.3Very low71 Ų71130.4 Ų130.473%0.73274%0.741SS**  cis154.9172.20.800000113.2
97A28.9Very low31.8Very low98 Ų98136 Ų13681%0.8175%0.746SS**  trans17145.9162.100000121.5
98T30.1Very low31.8Very low126 Ų126132.1 Ų132.177%0.77374%0.739SS**  cis-156137.83946.10000111.8
99K28.3Very low31.8Very low187 Ų187133.1 Ų133.181%0.81375%0.747SS**  81.6138.796.8-160.2-164.6172-169.80116.8
100A29.1Very low31.7Very low82 Ų82130.4 Ų130.468%0.67875%0.748SS**  trans79151.5160.300000118.1
101E28.5Very low31.2Very low161 Ų161129.1 Ų129.175%0.75275%0.746SS**  cis-168.6173.1-33.7-141.1164.2109.300110.1
102V30.7Very low31.4Very low115 Ų115127.1 Ų127.170%0.69775%0.746SS**  trans69.497.6159.1179.60000120.2
103Q30.6Very low31.2Very low167 Ų167131 Ų13178%0.7875%0.75SS**  67125.6115.9-161.1173.22.200123.9
104E30.4Very low31.7Very low140 Ų140136.6 Ų136.665%0.65477%0.765SS**  trans56.3143.7150.6-67.3-91.878.500119.6
105K27.8Very low31.5Very low167 Ų167136.6 Ų136.673%0.72677%0.765SS**  cis-159.9152.225.9-151.4168.9-174.478.40113.7
106S32.1Very low32.5Very low91 Ų91135.7 Ų135.764%0.63676%0.761SS**  trans-36.5136.7178.360.80000121.8
107R30.2Very low33.7Very low243 Ų243137.9 Ų137.992%0.91776%0.763SS**  trans171.7149.8131.8-96.2166.3-176.1-153.6-0.4108.5
108S28.1Very low34.9Very low105 Ų105138.9 Ų138.973%0.73476%0.761SS**  cis-158.815310.850.50000113.4
109S29.8Very low35.6Very low113 Ų113138.6 Ų138.679%0.7976%0.761SS**  trans57.2107147.2-168.20000120.5
110S31.2Very low36Very low126 Ų126137.4 Ų137.488%0.88176%0.764SS**  trans-106.5142.3147.7-65.90000109.5
111A35.6Very low36.7Very low82 Ų82140 Ų14068%0.67877%0.771SS**  trans-127.4125.7168.100000108
112E33.6Very low37.3Very low166 Ų166139.9 Ų139.978%0.77678%0.775SS**  trans-85.6136.1-175.8-61.4-152.6114.200112F114E112-F114 HydrophobicContact CB-CD2 4.48Å; E112-F114 HydrophobicContact CB-CE2 4.21Å
113F33.5Very low37.8Very low204 Ų204140.2 Ų140.290%0.89578%0.779SS**  trans-103.6110.7172.2-88.4-98.7000109.4
114F43.2Very low38Very low173 Ų173137.7 Ų137.776%0.75978%0.78SS**PPolyproline II helixtrans-88138169.5-80.2-98.7000110.8E112E112-F114 HydrophobicContact CB-CD2 4.48Å; E112-F114 HydrophobicContact CB-CE2 4.21Å
115P44Very low38.3Very low113 Ų113138.6 Ų138.673%0.73479%0.789SS**PPolyproline II helixtrans-76.3157173.131.8-34.4000112.3
116P48.4Very low38.5Very low119 Ų119140.7 Ų140.777%0.77380%0.798SS**PPolyproline II helixtrans-84.8159-173.634.3-36.8000114.3
117P52.6Low38.8Very low117 Ų117140.9 Ų140.976%0.7680%0.8SS**PPolyproline II helixtrans-80.7159.6177.133.7-36.3000114
118P54.2Low39.2Very low120 Ų120138.2 Ų138.278%0.77980%0.798SS**PPolyproline II helixtrans-76.9163.6173.433.5-36000113.1
119P45.3Very low39.5Very low119 Ų119140.3 Ų140.377%0.77380%0.801SS**PPolyproline II helixtrans-86153.5-171.834-36.6000115.3
120D37.8Very low39.8Very low162 Ų162138.7 Ų138.787%0.86679%0.794SS**PPolyproline II helixtrans-64.4151.1172.6-68.6-78.1000114.1
121V42.6Very low39.9Very low137 Ų137137.5 Ų137.583%0.8379%0.792SS**  trans-131.9129.8165.8-171.90000108.7
122L41.2Very low40.2Very low158 Ų158141.8 Ų141.883%0.82780%0.802SS**PPolyproline II helixtrans-73.6154-178.3-9289.2000113.1
123P42.5Very low40.8Very low122 Ų122139.2 Ų139.279%0.79280%0.8SS**PPolyproline II helixtrans-81.5147.4-177.833.5-35.9000113.2
124S34.3Very low41.4Very low115 Ų115135 Ų13580%0.80479%0.793SS**PPolyproline II helixtrans-100.2133.7163.9-700000110.4
125L37.3Very low41.5Very low159 Ų159132.2 Ų132.283%0.83279%0.793SS**PPolyproline II helixtrans-74.7134.5175.7-67.9157.8000111.4
126F31.9Very low41.2Very low210 Ų210132.7 Ų132.792%0.92180%0.795SS**  trans-150156.8146-79.1-63.3000109.8
127S37Very low40.4Very low96 Ų96135 Ų13567%0.67180%0.801SS**  trans-123.5176.4-168.2-58.80000111.9
128E38.4Very low39.6Very low187 Ų187135 Ų13587%0.87480%0.803SS**  trans69.5155.9162.7-65.9152.979.600116.6
129D34.7Very low38.5Very low149 Ų149137.7 Ų137.780%0.79781%0.81SS**  cis-157.4165.3-33.6-175.6-135.3000108.8
130A37.3Very low37.8Very low79 Ų79137.8 Ų137.865%0.65381%0.808SS**  trans24.6109.5160.600000121
131A33.6Very low37.7Very low101 Ų101135.3 Ų135.384%0.83580%0.804SS**  -166.3129.1126.200000111.9
132L40.4Very low37.8Very low172 Ų172134.6 Ų134.690%0.90180%0.802SS**PPolyproline II helixtrans-97.1131.1167-69.6174.2000110.1
133P46.1Very low37Very low111 Ų111135.4 Ų135.472%0.72181%0.806SS**PPolyproline II helixtrans-73.1150.9165.731.5-33.3000110.7
134P46.5Very low36.5Very low115 Ų115137.7 Ų137.775%0.74781%0.806SS**PPolyproline II helixtrans-74152.8-177.330.8-36000112.8
135P45.3Very low36.3Very low116 Ų116138.3 Ų138.375%0.75381%0.807SS**PPolyproline II helixtrans-73.5137.917730.4-34.5000111.8
136P38Very low35.8Very low122 Ų122139.3 Ų139.379%0.79281%0.808SS**PPolyproline II helixtrans-71138.2167.130.4-33000110.3
137L31.7Very low35.9Very low169 Ų169133.8 Ų133.889%0.88580%0.795SS**PPolyproline II helixtrans-73.5136.6-179.9-69.5169.8000111.9
138S36Very low35.7Very low117 Ų117133.3 Ų133.382%0.81879%0.79SS**PPolyproline II helixtrans-66.3131.5175.4-49.20000112.2
139L31.8Very low35.1Very low175 Ų175130.5 Ų130.592%0.91678%0.781SS**  trans-131.6143.7161.9-86.7173.3000110.4
140T29.5Very low35Very low121 Ų121128.2 Ų128.274%0.74277%0.765SS**  trans-110127.8-160.8500000114.1
141S35Very low35.1Very low110 Ų110130.6 Ų130.677%0.76976%0.763SS**  trans71.4173.3146.9-40.30000115
142P44.5Very low35.4Very low123 Ų123128.3 Ų128.380%0.79974%0.74SS**  -122.3137.4-113.419.64.4000113.8
143L25Very low35.8Very low174 Ų174122.9 Ų122.991%0.91171%0.713SS**  trans-107.6147.1172.7-71.6176.7000112.3
144H32.1Very low36.1Very low171 Ų171119.4 Ų119.479%0.79269%0.691SS**  trans-48.1145.9179.1-99.553.2000113.1Q146H144-Q146 PolarHBondContact O-N 3.4Å
145P30.4Very low37.2Very low127 Ų127115.8 Ų115.883%0.82567%0.666SS**  trans-65.298.9158.6-10.426.2000109
146Q26.6Very low38.2Very low180 Ų180119.5 Ų119.584%0.84167%0.67SS**  trans-75.8118.5159.8-73.7-170.6-32.200107.6H144 P148H144-Q146 PolarHBondContact O-N 3.4Å; Q146-P148 VanDerWaalsContact O-CD 3.3Å; Q146-P148 WeakPolarHBondContact O-CD 3.5Å
147S34.3Very low39.8Very low94 Ų94118.5 Ų118.566%0.65766%0.655SS**  trans-78.2121.8177.449.70000111
148P32.2Very low41.8Very low86 Ų86110.6 Ų110.656%0.55861%0.614SS**  trans-92.3100.6158.433.2-23.7000107.8Q146 Q150Q146-P148 VanDerWaalsContact O-CD 3.3Å; Q146-P148 WeakPolarHBondContact O-CD 3.5Å; P148-Q150 HydrophobicContact CB-CG 4.43Å; P148-Q150 PolarHBondContact O-N 3.11Å
149D26.7Very low43.5Very low128 Ų128111.9 Ų111.968%0.68461%0.605SS**  trans-67.280.3176.6-70.4-74.4000111.5H151D149-H151 PolarHBondContact O-N 2.99Å; D149-H151 VanDerWaalsContact O-N 3.13Å
150Q32.3Very low45.5Very low101 Ų101106 Ų10647%0.47258%0.582SS.*  trans-87.461.8174.6-61.6-163.53600110.6P148P148-Q150 HydrophobicContact CB-CG 4.43Å; P148-Q150 PolarHBondContact O-N 3.11Å
151H38.2Very low47.6Very low129 Ų129104 Ų10460%0.59756%0.563SS**  trans-62.7159.1166.4-89.2-46.5000111.8D149 V153 D260D149-H151 PolarHBondContact O-N 2.99Å; D149-H151 VanDerWaalsContact O-N 3.13Å; H151-V153 PolarHBondContact O-N 3.3Å; H151-D260 IonicContact ND1-OD1 3.76Å
152P41.1Very low49.1Very low54 Ų54102.4 Ų102.435%0.35155%0.552SS.*  trans-57.6127.2-176.618.4-31.2000113.7Q31 S154Q31-P152 VanDerWaalsContact NE2-CA 3.35Å; Q31-P152 VanDerWaalsContact OE1-CA 3.24Å; P152-S154 PolarHBondContact O-N 3.34Å
153V48.6Very low49.6Very low57 Ų5797.8 Ų97.835%0.34552%0.522SS..  trans-7065.1169.6-170.80000109.8Q33 H151 N155Q33-V153 HydrophobicContact CG-CG2 4.02Å; H151-V153 PolarHBondContact O-N 3.3Å; V153-N155 PolarHBondContact O-N 3.4Å
154S53.1Low50.6Low38 Ų3895.3 Ų95.327%0.26651%0.514SS..  trans-61.8107.2153.5162.90000106.9P152 K156P152-S154 PolarHBondContact O-N 3.34Å; S154-K156 PolarHBondContact O-N 2.86Å
155N69.9Low51.2Low39 Ų3998.6 Ų98.621%0.20952%0.52CS..BIsolated β-bridgetrans-63.2139.2173.2-75.3-32.7000109.1V153 Y231V153-N155 PolarHBondContact O-N 3.4Å; N155-Y231 HydrophobicContact CB-CD1 4.02Å; N155-Y231 HydrophobicContact CB-CD2 4.35Å; N155-Y231 HydrophobicContact CB-CE1 3.49Å; N155-Y231 VanDerWaalsContact CB-CE1 3.49Å; N155-Y231 HydrophobicContact CB-CE2 3.87Å; N155-Y231 HydrophobicContact CB-CG 4.42Å; N155-Y231 VanDerWaalsContact CB-CZ 3.41Å; N155-Y231 PolarHBondContact N-O 2.98Å; N155-Y231 WeakPolarHBondContact ND2-CE2 3.5Å; N155-Y231 PolarHBondContact ND2-OH 3.4Å
156K64.6Low51.6Low195 Ų19595.9 Ų95.985%0.84852%0.515SS*.  trans-56.4149.3175.1-69.5-177.4-179.1176.40109.5S154 A158S154-K156 PolarHBondContact O-N 2.86Å; K156-A158 PolarHBondContact O-N 2.85Å
157E72.8Confident52.2Low100 Ų10092.7 Ų92.747%0.46751%0.512SS..  trans-39.4123.4-176.7-167.4-168107.100112.5K159 K229E157-K159 PolarHBondContact O-N 2.92Å; E157-K229 WeakPolarHBondContact CA-O 3.42Å
158A72.7Confident52.3Low3 Ų398.4 Ų98.43%0.02553%0.525CS..BIsolated β-bridgetrans-72.587.1-174.500000110.9K156 I205 F217 G228 K229 Y231K156-A158 PolarHBondContact O-N 2.85Å; A158-I205 HydrophobicContact CB-CG2 3.97Å; A158-F217 HydrophobicContact CB-CD1 4.14Å; A158-F217 HydrophobicContact CB-CE1 3.84Å; A158-G228 PolarHBondContact O-N 3.06Å; A158-K229 PolarHBondContact N-O 2.83Å; A158-K229 VanDerWaalsContact N-O 3.09Å; A158-Y231 HydrophobicContact CB-CD1 3.96Å; A158-Y231 HydrophobicContact CB-CE1 3.84Å
159K72.8Confident52.7Low144 Ų144102.4 Ų102.463%0.62654%0.536SS*.  trans-75.2131.7-176.8-66.4-167.7176.7-168.90111.5E157E157-K159 PolarHBondContact O-N 2.92Å
160A73.8Confident53.1Low53 Ų53103.5 Ų103.544%0.43854%0.542SS..EExtended strand (participates in β ladder)trans-73.7140166.700000110.2P203 A204 I205A160-P203 HydrophobicContact CB-CB 4.19Å; A160-A204 CarbonylContact C-O 3.58Å; A160-A204 VanDerWaalsContact CA-O 3.26Å; A160-A204 WeakPolarHBondContact CA-O 3.25Å; A160-I205 HydrophobicContact CB-CG1 4.41Å
161F73.3Confident53.7Low78 Ų78107.8 Ų107.834%0.34256%0.562SS.*EExtended strand (participates in β ladder)trans-133.9154.917370.5-81.9000110.4P163 A204 E206 I211F161-P163 HydrophobicContact CE2-CB 4.4Å; F161-P163 HydrophobicContact CE2-CG 4.09Å; F161-A204 HydrophobicContact CD1-CB 4.27Å; F161-A204 WeakPolarHBondContact CD1-O 3.37Å; F161-A204 HydrophobicContact CE1-CB 3.8Å; F161-A204 WeakPolarHBondContact CE1-O 3.36Å; F161-A204 HydrophobicContact CE2-CB 4.16Å; F161-A204 HydrophobicContact CZ-CB 3.75Å; F161-A204 PolarHBondContact N-O 3.08Å; F161-A204 PolarHBondContact O-N 3.3Å; F161-E206 HydrophobicContact CE1-CB 3.91Å; F161-I211 HydrophobicContact CZ-CD1 4.49Å
162S65.4Low53.8Low77 Ų77110.2 Ų110.254%0.53857%0.573SS.*  trans-90.4128.2170-54.50000109T164S162-T164 VanDerWaalsContact C-N 3.27Å; S162-T164 PolarHBondContact O-N 3.14Å
163P54.9Low53.7Low25 Ų25113.8 Ų113.816%0.16259%0.594CS.*  trans-69.172.7179.2-21.934.3000114.3F161 R165 L200 E202 A204F161-P163 HydrophobicContact CE2-CB 4.4Å; F161-P163 HydrophobicContact CE2-CG 4.09Å; P163-R165 PolarHBondContact O-N 3.46Å; P163-L200 HydrophobicContact CB-CD2 3.99Å; P163-E202 WeakPolarHBondContact CD-O 3.5Å; P163-A204 HydrophobicContact CG-CB 3.87Å
164T46.7Very low53.4Low122 Ų122119 Ų11975%0.74862%0.62SS**  trans-77.9114.3177.552.80000111.8S162 G166S162-T164 VanDerWaalsContact C-N 3.27Å; S162-T164 PolarHBondContact O-N 3.14Å; T164-G166 PolarHBondContact O-N 3.24Å
165R45.1Very low52.5Low241 Ų241121 Ų12191%0.90965%0.647SS**  trans-66.593.2173.3175.9180161.8-175.1-4.9111.3P163P163-R165 PolarHBondContact O-N 3.46Å
166G38.5Very low51.4Low70 Ų70126.1 Ų126.172%0.72267%0.673SS**  trans-166.8130.417700000113.6T164T164-G166 PolarHBondContact O-N 3.24Å
167S39.7Very low50.5Low113 Ų113125 Ų12579%0.7967%0.671SS**  trans-53.4144.7-168.1-50.40000117.4
168K35.9Very low49.1Very low213 Ų213131.3 Ų131.393%0.92669%0.69SS**  -119.694.4127.8-79.6-162.5177-169.60109.5
169H39.7Very low47.6Very low170 Ų170137.5 Ų137.579%0.78772%0.722SS**SBendtrans-147.2139.3155.5-131-74.7000106
170D36.5Very low46.4Very low152 Ų152135 Ų13581%0.81372%0.724SS**  trans-74.9162.7-162.5-49.3-91.7000113
171E45.4Very low45.1Very low191 Ų191142 Ų14289%0.89375%0.747SS**  trans-82.2168.7-172.5-164.3156.873.800112.8
172E39.7Very low43.9Very low179 Ų179144 Ų14484%0.83676%0.761SS**  trans71.4132.8-177.2-77.3-174.122.400116.3
173T39.6Very low43Very low129 Ų129145.4 Ų145.479%0.79177%0.767SS**  cis-140.3179.712.151.50000113.8
174N40.7Very low42.5Very low167 Ų167150 Ų15089%0.89380%0.795SS**  trans-64152.7-172.3-75.5-65.1000118
175G34.5Very low42.4Very low80 Ų80149.6 Ų149.683%0.82579%0.792SS**  trans-168.696.2169.200000116
176I47.4Very low42.8Very low147 Ų147145.1 Ų145.175%0.75478%0.781SS**  trans-68.3130.5-168.8-69.4170.5000116.5
177H44.8Very low43.6Very low172 Ų172147 Ų14780%0.79678%0.783SS**  trans64.7159156.1-64.6176.3000118.6
178R43.3Very low45Very low232 Ų232146 Ų14688%0.87577%0.765SS**  cis-156.8146.47.3-142.7177.2164.7-175.5-6.2113.2
179N41.1Very low47.2Very low132 Ų132139.9 Ų139.971%0.70674%0.742SS**  trans62.199.9148.1-159.960.7000123
180S49.1Very low49.6Very low93 Ų93136.5 Ų136.565%0.6573%0.729SS**  46.9111.4125.4-39.70000122.1
181Q44.9Very low52.1Low198 Ų198129.2 Ų129.293%0.92569%0.69SS**  -173.9150.3110.3-101.81755.300114.7
182D49.1Very low54Low121 Ų121120.8 Ų120.865%0.64766%0.655SS**  trans-30.2114.4179.3177.535.3000118.8
183V47.3Very low56.3Low107 Ų107115.7 Ų115.765%0.64863%0.63SS**  -155.791.6118.3139.90000108.9T185V183-T185 HydrophobicContact CG1-CG2 4.25Å; V183-T185 PolarHBondContact O-N 2.83Å
184T44.3Very low58.6Low122 Ų122112.1 Ų112.175%0.74861%0.61SS**  trans-89.179.6166.6490000109.4E186T184-E186 PolarHBondContact O-N 3.24Å
185T44.6Very low60.9Low112 Ų112113.8 Ų113.869%0.68760%0.603SS**  trans-69.886.6158.542.50000108.2V183 S187V183-T185 HydrophobicContact CG1-CG2 4.25Å; V183-T185 PolarHBondContact O-N 2.83Å; T185-S187 PolarHBondContact O-N 3.01Å
186E52.8Low63.4Low148 Ų148114 Ų11469%0.69258%0.581SS**  trans-54.8113.7165.9-62.9-170.5133.200108.1T184 K188T184-E186 PolarHBondContact O-N 3.24Å; E186-K188 PolarHBondContact O-N 3.43Å
187S55.5Low65.3Low110 Ų110108.5 Ų108.577%0.76956%0.555SS**  trans-72.869.4171.855.10000108.8T185 D189T185-S187 PolarHBondContact O-N 3.01Å; S187-D189 PolarHBondContact O-N 2.85Å
188K68.5Low67.1Low91 Ų91100.9 Ų100.940%0.39652%0.52SS..  trans-68101.9-176.3-152.9174-173.5166.90107.5E64 E186 L190 P197E64-K188 IonicContact OE1-NZ 2.69Å; E64-K188 PolarHBondContact OE1-NZ 3.47Å; E64-K188 IonicContact OE2-NZ 3.74Å; E186-K188 PolarHBondContact O-N 3.43Å; K188-L190 WeakPolarHBondContact O-CD2 3.38Å; K188-L190 PolarHBondContact O-N 2.92Å; K188-P197 HydrophobicContact CD-CB 3.89Å; K188-P197 HydrophobicContact CD-CG 4.46Å; K188-P197 HydrophobicContact CG-CB 3.96Å
189D81.7Confident68.9Low84 Ų8491.5 Ų91.545%0.44949%0.493SS..PPolyproline II helixtrans-51.9125.9-173-69.6-60.1000111S187 M198 I211S187-D189 PolarHBondContact O-N 2.85Å; D189-M198 HydrophobicContact CB-CB 4.36Å; D189-M198 HydrophobicContact CB-CG 4.24Å; D189-M198 WeakPolarHBondContact O-CB 3.49Å; D189-M198 VanDerWaalsContact O-CG 3.27Å; D189-M198 WeakPolarHBondContact O-CG 3.26Å; D189-M198 PolarHBondContact O-N 2.87Å; D189-I211 HydrophobicContact CB-CD1 3.88Å
190L89.9Confident70.2Confident99 Ų9991.1 Ų91.152%0.51849%0.49SS..BIsolated β-bridgetrans-100131-177.5-58.6-174.9000109.9K188 G192 P197K188-L190 WeakPolarHBondContact O-CD2 3.38Å; K188-L190 PolarHBondContact O-N 2.92Å; L190-G192 PolarHBondContact O-N 2.8Å; L190-P197 HydrophobicContact CD2-CB 4.11Å; L190-P197 HydrophobicContact CD2-CG 4.05Å
191C89.3Confident71.3Confident0 Ų091.9 Ų91.90%050%0.495CS..PPolyproline II helixtrans-56.5123.1176.8171.20000111.2F193 C194 R195 K196 M198 I211 H213C191-F193 PolarHBondContact O-N 2.69Å; C191-C194 VanDerWaalsContact CB-SG 3.54Å; C191-C194 PolarHBondContact SG-SG 2.95Å; C191-R195 VanDerWaalsContact O-CA 3.24Å; C191-R195 WeakPolarHBondContact O-CA 3.36Å; C191-R195 PolarHBondContact O-N 2.88Å; C191-K196 PolarHBondContact N-O 3.3Å; C191-M198 HydrophobicContact CB-SD 3.89Å; C191-I211 CarbonylContact C-O 3.5Å; C191-I211 VanDerWaalsContact CA-O 3.32Å; C191-I211 WeakPolarHBondContact CA-O 3.27Å; C191-H213 WeakPolarHBondContact CB-CE1 3.39Å; C191-H213 WeakPolarHBondContact CB-ND1 3.41Å; C191-H213 PolarHBondContact SG-ND1 2.84Å
192G85.7Confident72.7Confident14 Ų1486.8 Ų86.814%0.14447%0.471CS..THydrogen-bonded Turntrans-60.4-12.5-173.200000116L190 I211 Y212L190-G192 PolarHBondContact O-N 2.8Å; G192-I211 PolarHBondContact N-O 2.94Å; G192-Y212 VanDerWaalsContact C-CE1 3.44Å; G192-Y212 VanDerWaalsContact CA-CE1 3.47Å
193F87.6Confident74.2Confident71 Ų7183.7 Ų83.731%0.31146%0.458SS..THydrogen-bonded Turntrans-105.6-61172-72.4-50.5000113.7C191 Y212 C216 F217 P238C191-F193 PolarHBondContact O-N 2.69Å; F193-Y212 HydrophobicContact CB-CD1 4.31Å; F193-Y212 HydrophobicContact CB-CE1 4.3Å; F193-Y212 HydrophobicContact CD1-CE1 4.17Å; F193-Y212 AromaticContact CD2-CD1 3.32Å; F193-Y212 HydrophobicContact CD2-CD1 3.32Å; F193-Y212 AromaticContact CD2-CE1 3.22Å; F193-Y212 HydrophobicContact CD2-CE1 3.22Å; F193-Y212 HydrophobicContact CD2-CG 4.45Å; F193-Y212 HydrophobicContact CE1-CE1 4.25Å; F193-Y212 AromaticContact CE2-CD1 3.72Å; F193-Y212 HydrophobicContact CE2-CD1 3.72Å; F193-Y212 AromaticContact CE2-CE1 3.31Å; F193-Y212 HydrophobicContact CE2-CE1 3.31Å; F193-Y212 AromaticContact CE2-CZ 3.99Å; F193-Y212 AromaticContact CG-CD1 3.96Å; F193-Y212 HydrophobicContact CG-CD1 3.96Å; F193-Y212 AromaticContact CG-CE1 3.65Å; F193-Y212 HydrophobicContact CG-CE1 3.65Å; F193-Y212 AromaticContact CZ-CE1 3.82Å; F193-Y212 HydrophobicContact CZ-CE1 3.82Å; F193-C216 WeakPolarHBondContact CD2-O 3.43Å; F193-F217 HydrophobicContact CE2-CD2 4.27Å; F193-P238 HydrophobicContact CE2-CG 3.96Å; F193-P238 HydrophobicContact CZ-CG 3.67Å
194C88.9Confident76Confident54 Ų5478.6 Ų78.637%0.36543%0.427SS..THydrogen-bonded Turntrans-85.4-5.2-173.566.20000114.3C191 K196 H213 C216C191-C194 VanDerWaalsContact CB-SG 3.54Å; C191-C194 PolarHBondContact SG-SG 2.95Å; C194-K196 HydrophobicContact CB-CD 4.5Å; C194-K196 PolarHBondContact O-N 2.66Å; C194-H213 VanDerWaalsContact SG-CE1 3.57Å; C194-C216 VanDerWaalsContact SG-SG 3.66Å
195R88.2Confident78Confident202 Ų20272.8 Ų72.876%0.76239%0.391SS*.  trans55.16.7-177.4-56.7-168.9-176.5-160.43.6116.2C191C191-R195 VanDerWaalsContact O-CA 3.24Å; C191-R195 WeakPolarHBondContact O-CA 3.36Å; C191-R195 PolarHBondContact O-N 2.88Å
196K88.2Confident80Confident84 Ų8473.7 Ų73.737%0.36539%0.388SS..PPolyproline II helixtrans-69.2145.2171.9-70.6174.6152.4-167.30109.9S66 P67 C191 C194S66-K196 WeakPolarHBondContact OG-CB 3.08Å; S66-K196 WeakPolarHBondContact OG-CD 3.33Å; S66-K196 VanDerWaalsContact OG-CE 3.29Å; S66-K196 WeakPolarHBondContact OG-CE 3.21Å; S66-K196 WeakPolarHBondContact OG-CG 3.16Å; P67-K196 PolarHBondContact O-NZ 3.17Å; P67-K196 VanDerWaalsContact O-NZ 3.12Å; C191-K196 PolarHBondContact N-O 3.3Å; C194-K196 HydrophobicContact CB-CD 4.5Å; C194-K196 PolarHBondContact O-N 2.66Å
197P86.8Confident81.5Confident32 Ų3266.9 Ų66.921%0.20836%0.357CS..BIsolated β-bridgetrans-65.5135.2177.3-16.629.7000111.7K188 L190K188-P197 HydrophobicContact CD-CB 3.89Å; K188-P197 HydrophobicContact CD-CG 4.46Å; K188-P197 HydrophobicContact CG-CB 3.96Å; L190-P197 HydrophobicContact CD2-CB 4.11Å; L190-P197 HydrophobicContact CD2-CG 4.05Å
198M82.4Confident82.7Confident12 Ų1263.5 Ų63.56%0.05933%0.33CS..PPolyproline II helixtrans-70.7133.9171.3-61.1-65.6-53.300109.6D189 C191 A204 I211 H213D189-M198 HydrophobicContact CB-CB 4.36Å; D189-M198 HydrophobicContact CB-CG 4.24Å; D189-M198 WeakPolarHBondContact O-CB 3.49Å; D189-M198 VanDerWaalsContact O-CG 3.27Å; D189-M198 WeakPolarHBondContact O-CG 3.26Å; D189-M198 PolarHBondContact O-N 2.87Å; C191-M198 HydrophobicContact CB-SD 3.89Å; M198-A204 HydrophobicContact CE-CB 3.63Å; M198-I211 HydrophobicContact CE-CG2 3.92Å; M198-I211 HydrophobicContact CG-CG2 3.82Å; M198-I211 HydrophobicContact SD-CG2 4.02Å; M198-H213 PolarHBondContact SD-N 3.29Å
199A80.4Confident83.4Confident36 Ų3664.9 Ų64.930%0.29834%0.342SS..PPolyproline II helixtrans-85.5137.7171.200000110.6S201 E202A199-S201 PolarHBondContact O-N 3.42Å; A199-E202 HydrophobicContact CB-CB 4.3Å; A199-E202 HydrophobicContact CB-CG 4.01Å; A199-E202 PolarHBondContact O-N 3.05Å
200L69.8Low83.7Confident124 Ų12467.7 Ų67.765%0.64935%0.346SS*.THydrogen-bonded Turntrans-60.6-15.2177.7-61.1174.4000113.7P163P163-L200 HydrophobicContact CB-CD2 3.99Å
201S72.7Confident83.6Confident109 Ų10964.6 Ų64.676%0.76233%0.33SS*.THydrogen-bonded Turntrans-95.9-7.7178.155.30000114.7A199A199-S201 PolarHBondContact O-N 3.42Å
202E74Confident83.6Confident90 Ų9064.9 Ų64.942%0.42133%0.331SS..SBendtrans-101.4146.7-175.9-74.4-174.3176.300112.3P163 A199 A204 H213P163-E202 WeakPolarHBondContact CD-O 3.5Å; A199-E202 HydrophobicContact CB-CB 4.3Å; A199-E202 HydrophobicContact CB-CG 4.01Å; A199-E202 PolarHBondContact O-N 3.05Å; E202-A204 PolarHBondContact O-N 3.04Å; E202-H213 IonicContact OE2-CD2 3.53Å
203P79.1Confident83.7Confident56 Ų5665.5 Ų65.536%0.36433%0.33SS..  trans-65.7119.117626.5-33.1000111A160 E214A160-P203 HydrophobicContact CB-CB 4.19Å; P203-E214 HydrophobicContact CG-CB 4.42Å; P203-E214 WeakPolarHBondContact CG-OE2 3.41Å; P203-E214 PolarHBondContact O-N 2.78Å
204A85.1Confident83.6Confident0 Ų066.6 Ų66.60%034%0.336CS..EExtended strand (participates in β ladder)trans-104.6144.4-178.500000110.7A160 F161 P163 M198 E202 I211A160-A204 CarbonylContact C-O 3.58Å; A160-A204 VanDerWaalsContact CA-O 3.26Å; A160-A204 WeakPolarHBondContact CA-O 3.25Å; F161-A204 HydrophobicContact CD1-CB 4.27Å; F161-A204 WeakPolarHBondContact CD1-O 3.37Å; F161-A204 HydrophobicContact CE1-CB 3.8Å; F161-A204 WeakPolarHBondContact CE1-O 3.36Å; F161-A204 HydrophobicContact CE2-CB 4.16Å; F161-A204 HydrophobicContact CZ-CB 3.75Å; F161-A204 PolarHBondContact N-O 3.08Å; F161-A204 PolarHBondContact O-N 3.3Å; P163-A204 HydrophobicContact CG-CB 3.87Å; M198-A204 HydrophobicContact CE-CB 3.63Å; E202-A204 PolarHBondContact O-N 3.04Å; A204-I211 HydrophobicContact CB-CG2 3.8Å
205I87Confident83.5Confident0 Ų067 Ų670%035%0.349CS..EExtended strand (participates in β ladder)trans-114.7123.5173.2-67.4174.3000108.4A158 A160 A207 I211 Y212 E214 F217 A227A158-I205 HydrophobicContact CB-CG2 3.97Å; A160-I205 HydrophobicContact CB-CG1 4.41Å; I205-A207 HydrophobicContact CG2-CB 4.28Å; I205-I211 CarbonylContact O-C 3.51Å; I205-I211 WeakPolarHBondContact O-CA 3.45Å; I205-Y212 PolarHBondContact N-O 3.09Å; I205-Y212 PolarHBondContact O-N 2.83Å; I205-E214 HydrophobicContact CD1-CB 4.43Å; I205-E214 HydrophobicContact CD1-CG 4.25Å; I205-F217 HydrophobicContact CB-CB 4.49Å; I205-F217 HydrophobicContact CD1-CB 3.88Å; I205-F217 HydrophobicContact CD1-CD1 4.33Å; I205-F217 HydrophobicContact CD1-CG 4.44Å; I205-F217 HydrophobicContact CG2-CB 4.37Å; I205-F217 HydrophobicContact CG2-CD1 3.91Å; I205-F217 HydrophobicContact CG2-CE1 4.41Å; I205-F217 HydrophobicContact CG2-CG 4.02Å; I205-A227 HydrophobicContact CD1-CB 3.54Å
206E86.4Confident83.5Confident131 Ų13158.9 Ų58.961%0.61232%0.323SS*.EExtended strand (participates in β ladder)trans-91.2123.3168.9-172.3175.9-168.900109.7F161 R210F161-E206 HydrophobicContact CE1-CB 3.91Å; E206-R210 WeakPolarHBondContact CA-O 3.34Å
207A83.7Confident83.6Confident5 Ų554.9 Ų54.94%0.04131%0.306CS..EExtended strand (participates in β ladder)trans-158153.4-178.900000109.4I205 N209 R210 Y212 F217 Y231I205-A207 HydrophobicContact CG2-CB 4.28Å; A207-N209 PolarHBondContact O-N 2.87Å; A207-R210 PolarHBondContact N-O 3.43Å; A207-R210 CarbonylContact O-C 3.57Å; A207-R210 PolarHBondContact O-N 3.05Å; A207-Y212 HydrophobicContact CB-CD2 4.25Å; A207-Y212 HydrophobicContact CB-CE2 4.08Å; A207-Y212 WeakPolarHBondContact O-CE2 3.36Å; A207-F217 HydrophobicContact CB-CD2 4.2Å; A207-F217 HydrophobicContact CB-CE1 4.15Å; A207-F217 HydrophobicContact CB-CE2 3.45Å; A207-F217 VanDerWaalsContact CB-CE2 3.45Å; A207-F217 HydrophobicContact CB-CZ 3.42Å; A207-F217 VanDerWaalsContact CB-CZ 3.42Å; A207-Y231 HydrophobicContact CB-CE2 4.4Å; A207-Y231 VanDerWaalsContact CB-OH 3.27Å; A207-Y231 WeakPolarHBondContact CB-OH 3.37Å
208L82.7Confident84Confident40 Ų4056.1 Ų56.121%0.20931%0.309CS..THydrogen-bonded Turntrans52.232172.7-48.5179.8000114.2R210 Y231 N233 P238L208-R210 VanDerWaalsContact C-N 3.27Å; L208-R210 PolarHBondContact O-N 2.71Å; L208-Y231 HydrophobicContact CD2-CE2 4.02Å; L208-Y231 HydrophobicContact CG-CE2 4.42Å; L208-N233 HydrophobicContact CD2-CB 3.76Å; L208-N233 VanDerWaalsContact CD2-CG 3.49Å; L208-P238 HydrophobicContact CD1-CB 4.46Å
209N82.9Confident84.5Confident120 Ų12055.5 Ų55.564%0.64231%0.306SS*.THydrogen-bonded Turntrans54.535.8-171.7-56.8-9.3000114.2A207A207-N209 PolarHBondContact O-N 2.87Å
210R86.3Confident85Confident143 Ų14360.4 Ų60.454%0.5432%0.317SS..EExtended strand (participates in β ladder)trans-145.5160.7176.8-66.8-171.2177.9-177.10.3111.3E206 A207 L208 Y212E206-R210 WeakPolarHBondContact CA-O 3.34Å; A207-R210 PolarHBondContact N-O 3.43Å; A207-R210 CarbonylContact O-C 3.57Å; A207-R210 PolarHBondContact O-N 3.05Å; L208-R210 VanDerWaalsContact C-N 3.27Å; L208-R210 PolarHBondContact O-N 2.71Å; R210-Y212 HydrophobicContact CB-CE2 3.82Å
211I88Confident86Confident33 Ų3358.5 Ų58.517%0.16931%0.314CS..EExtended strand (participates in β ladder)trans-99.5145.4173.2-61.3165.6000109.5F161 D189 C191 G192 M198 A204 I205F161-I211 HydrophobicContact CZ-CD1 4.49Å; D189-I211 HydrophobicContact CB-CD1 3.88Å; C191-I211 CarbonylContact C-O 3.5Å; C191-I211 VanDerWaalsContact CA-O 3.32Å; C191-I211 WeakPolarHBondContact CA-O 3.27Å; G192-I211 PolarHBondContact N-O 2.94Å; M198-I211 HydrophobicContact CE-CG2 3.92Å; M198-I211 HydrophobicContact CG-CG2 3.82Å; M198-I211 HydrophobicContact SD-CG2 4.02Å; A204-I211 HydrophobicContact CB-CG2 3.8Å; I205-I211 CarbonylContact O-C 3.51Å; I205-I211 WeakPolarHBondContact O-CA 3.45Å
212Y89.1Confident87Confident6 Ų655.8 Ų55.82%0.02429%0.294CS..EExtended strand (participates in β ladder)trans-138.7147.6178.7-57.8-91000110.9G192 F193 I205 A207 R210 F217G192-Y212 VanDerWaalsContact C-CE1 3.44Å; G192-Y212 VanDerWaalsContact CA-CE1 3.47Å; F193-Y212 HydrophobicContact CB-CD1 4.31Å; F193-Y212 HydrophobicContact CB-CE1 4.3Å; F193-Y212 HydrophobicContact CD1-CE1 4.17Å; F193-Y212 AromaticContact CD2-CD1 3.32Å; F193-Y212 HydrophobicContact CD2-CD1 3.32Å; F193-Y212 AromaticContact CD2-CE1 3.22Å; F193-Y212 HydrophobicContact CD2-CE1 3.22Å; F193-Y212 HydrophobicContact CD2-CG 4.45Å; F193-Y212 HydrophobicContact CE1-CE1 4.25Å; F193-Y212 AromaticContact CE2-CD1 3.72Å; F193-Y212 HydrophobicContact CE2-CD1 3.72Å; F193-Y212 AromaticContact CE2-CE1 3.31Å; F193-Y212 HydrophobicContact CE2-CE1 3.31Å; F193-Y212 AromaticContact CE2-CZ 3.99Å; F193-Y212 AromaticContact CG-CD1 3.96Å; F193-Y212 HydrophobicContact CG-CD1 3.96Å; F193-Y212 AromaticContact CG-CE1 3.65Å; F193-Y212 HydrophobicContact CG-CE1 3.65Å; F193-Y212 AromaticContact CZ-CE1 3.82Å; F193-Y212 HydrophobicContact CZ-CE1 3.82Å; I205-Y212 PolarHBondContact N-O 3.09Å; I205-Y212 PolarHBondContact O-N 2.83Å; A207-Y212 HydrophobicContact CB-CD2 4.25Å; A207-Y212 HydrophobicContact CB-CE2 4.08Å; A207-Y212 WeakPolarHBondContact O-CE2 3.36Å; R210-Y212 HydrophobicContact CB-CE2 3.82Å; Y212-F217 HydrophobicContact CD1-CD2 4.39Å; Y212-F217 AromaticContact CD2-CD2 3.69Å; Y212-F217 HydrophobicContact CD2-CD2 3.69Å; Y212-F217 HydrophobicContact CD2-CE2 4.13Å; Y212-F217 HydrophobicContact CE2-CD2 4.02Å; Y212-F217 HydrophobicContact CE2-CE2 4.04Å; Y212-F217 AromaticContact CG-CD2 3.89Å; Y212-F217 HydrophobicContact CG-CD2 3.89Å
213H89.1Confident87.9Confident28 Ų2856.6 Ų56.613%0.1330%0.298CS..EExtended strand (participates in β ladder)trans-61.9147.3163.2-49.796.4000109.6C191 C194 M198 E202 G215 C216 F217C191-H213 WeakPolarHBondContact CB-CE1 3.39Å; C191-H213 WeakPolarHBondContact CB-ND1 3.41Å; C191-H213 PolarHBondContact SG-ND1 2.84Å; C194-H213 VanDerWaalsContact SG-CE1 3.57Å; M198-H213 PolarHBondContact SD-N 3.29Å; E202-H213 IonicContact OE2-CD2 3.53Å; H213-G215 VanDerWaalsContact C-N 3.33Å; H213-G215 PolarHBondContact O-N 2.8Å; H213-C216 HydrophobicContact CB-CB 4.13Å; H213-C216 WeakPolarHBondContact O-CA 3.24Å; H213-C216 WeakPolarHBondContact O-CB 3.28Å; H213-C216 PolarHBondContact O-N 2.91Å; H213-F217 PolarHBondContact O-N 2.84Å
214E85.8Confident88.5Confident93 Ų9356.8 Ų56.844%0.43530%0.298SS..G310 helixtrans-48.5-51.1177.5-167.6-173.3159.700112.7P203 I205 C216 F217 A227P203-E214 HydrophobicContact CG-CB 4.42Å; P203-E214 WeakPolarHBondContact CG-OE2 3.41Å; P203-E214 PolarHBondContact O-N 2.78Å; I205-E214 HydrophobicContact CD1-CB 4.43Å; I205-E214 HydrophobicContact CD1-CG 4.25Å; E214-C216 VanDerWaalsContact C-N 3.26Å; E214-C216 PolarHBondContact O-N 2.93Å; E214-F217 PolarHBondContact O-N 2.88Å; E214-A227 HydrophobicContact CG-CB 3.81Å
215G85.8Confident88.8Confident63 Ų6360 Ų6065%0.64932%0.319SS*.G310 helixtrans-73.5-5.6177.100000115.8H213H213-G215 VanDerWaalsContact C-N 3.33Å; H213-G215 PolarHBondContact O-N 2.8Å
216C88.2Confident89Confident32 Ų3260 Ų6022%0.21632%0.319CS..G310 helixtrans-90.5-24.2170.8-75.50000112.4F193 C194 H213 E214 Q218F193-C216 WeakPolarHBondContact CD2-O 3.43Å; C194-C216 VanDerWaalsContact SG-SG 3.66Å; H213-C216 HydrophobicContact CB-CB 4.13Å; H213-C216 WeakPolarHBondContact O-CA 3.24Å; H213-C216 WeakPolarHBondContact O-CB 3.28Å; H213-C216 PolarHBondContact O-N 2.91Å; E214-C216 VanDerWaalsContact C-N 3.26Å; E214-C216 PolarHBondContact O-N 2.93Å; C216-Q218 PolarHBondContact O-N 3.39Å; C216-Q218 VanDerWaalsContact O-N 3.14Å
217F91.4Very high89Confident0 Ų054.7 Ų54.70%030%0.297CS..  trans-89.376.1-177.4-159-107.3000111.6A158 F193 I205 A207 Y212 H213 E214 L226 Y231 P238A158-F217 HydrophobicContact CB-CD1 4.14Å; A158-F217 HydrophobicContact CB-CE1 3.84Å; F193-F217 HydrophobicContact CE2-CD2 4.27Å; I205-F217 HydrophobicContact CB-CB 4.49Å; I205-F217 HydrophobicContact CD1-CB 3.88Å; I205-F217 HydrophobicContact CD1-CD1 4.33Å; I205-F217 HydrophobicContact CD1-CG 4.44Å; I205-F217 HydrophobicContact CG2-CB 4.37Å; I205-F217 HydrophobicContact CG2-CD1 3.91Å; I205-F217 HydrophobicContact CG2-CE1 4.41Å; I205-F217 HydrophobicContact CG2-CG 4.02Å; A207-F217 HydrophobicContact CB-CD2 4.2Å; A207-F217 HydrophobicContact CB-CE1 4.15Å; A207-F217 HydrophobicContact CB-CE2 3.45Å; A207-F217 VanDerWaalsContact CB-CE2 3.45Å; A207-F217 HydrophobicContact CB-CZ 3.42Å; A207-F217 VanDerWaalsContact CB-CZ 3.42Å; Y212-F217 HydrophobicContact CD1-CD2 4.39Å; Y212-F217 AromaticContact CD2-CD2 3.69Å; Y212-F217 HydrophobicContact CD2-CD2 3.69Å; Y212-F217 HydrophobicContact CD2-CE2 4.13Å; Y212-F217 HydrophobicContact CE2-CD2 4.02Å; Y212-F217 HydrophobicContact CE2-CE2 4.04Å; Y212-F217 AromaticContact CG-CD2 3.89Å; Y212-F217 HydrophobicContact CG-CD2 3.89Å; H213-F217 PolarHBondContact O-N 2.84Å; E214-F217 PolarHBondContact O-N 2.88Å; F217-L226 HydrophobicContact CD1-CB 3.63Å; F217-L226 HydrophobicContact CD1-CD1 4.47Å; F217-L226 HydrophobicContact CE1-CB 3.7Å; F217-L226 HydrophobicContact CE1-CD1 4.14Å; F217-L226 WeakPolarHBondContact O-CB 3.42Å; F217-L226 PolarHBondContact O-N 2.79Å; F217-Y231 AromaticContact CE1-CD1 3.96Å; F217-Y231 HydrophobicContact CE1-CD1 3.96Å; F217-Y231 HydrophobicContact CE1-CD2 4.19Å; F217-Y231 HydrophobicContact CE1-CE1 4.1Å; F217-Y231 HydrophobicContact CE1-CE2 4.31Å; F217-Y231 HydrophobicContact CE1-CG 4.02Å; F217-Y231 HydrophobicContact CZ-CD1 4.25Å; F217-Y231 AromaticContact CZ-CD2 3.75Å; F217-Y231 HydrophobicContact CZ-CD2 3.75Å; F217-Y231 HydrophobicContact CZ-CE1 4.14Å; F217-Y231 AromaticContact CZ-CE2 3.62Å; F217-Y231 HydrophobicContact CZ-CE2 3.62Å; F217-Y231 HydrophobicContact CZ-CG 4.06Å; F217-Y231 AromaticContact CZ-CZ 3.83Å; F217-P238 HydrophobicContact CE2-CB 4.01Å; F217-P238 HydrophobicContact CE2-CG 4.18Å; F217-P238 HydrophobicContact CZ-CB 3.95Å
218Q93.4Very high88.9Confident57 Ų5756.6 Ų56.627%0.26632%0.317SS..BIsolated β-bridgetrans-122.7153.7-177.763.7179.84.700111.9C216 R220 H223 V224C216-Q218 PolarHBondContact O-N 3.39Å; C216-Q218 VanDerWaalsContact O-N 3.14Å; Q218-R220 PolarHBondContact O-N 3.26Å; Q218-H223 PolarHBondContact NE2-ND1 3.18Å; Q218-H223 VanDerWaalsContact NE2-ND1 3.16Å; Q218-H223 PolarHBondContact OE1-O 2.83Å; Q218-V224 WeakPolarHBondContact CA-O 3.36Å
219C92.6Very high89.1Confident0 Ų059.1 Ų59.10%033%0.326CS..  trans-58.1126.4174.7176.90000110.5S221 C222 H223 V224 L226 C240C219-S221 PolarHBondContact O-N 3.01Å; C219-C222 VanDerWaalsContact CB-SG 3.58Å; C219-C222 PolarHBondContact SG-SG 2.98Å; C219-H223 VanDerWaalsContact O-CA 3.25Å; C219-H223 WeakPolarHBondContact O-CA 3.4Å; C219-H223 PolarHBondContact O-N 2.99Å; C219-V224 PolarHBondContact N-O 3.05Å; C219-L226 HydrophobicContact CB-CD1 4.42Å; C219-L226 HydrophobicContact CB-CD2 4.3Å; C219-L226 HydrophobicContact CB-CG 4.45Å; C219-C240 HydrophobicContact CB-CB 4.17Å; C219-C240 PolarHBondContact SG-N 3.2Å; C219-C240 VanDerWaalsContact SG-N 3.4Å
220R91.6Very high89.2Confident139 Ų13958.3 Ų58.353%0.52532%0.319SS..THydrogen-bonded Turntrans-72.3-9.8-177.1-73.1-63.3-52.4-165.21.3115.2Q218 I237 P238Q218-R220 PolarHBondContact O-N 3.26Å; R220-I237 HydrophobicContact CB-CG2 3.52Å; R220-I237 HydrophobicContact CG-CG2 3.8Å; R220-P238 HydrophobicContact CG-CG 4.34Å; R220-P238 PolarHBondContact N-O 2.9Å; R220-P238 VanDerWaalsContact N-O 3.08Å
221S91.3Very high89.3Confident83 Ų8352.1 Ų52.158%0.5830%0.296SS*.THydrogen-bonded Turntrans-101.1-29.8177.7-56.50000114.2C219 L239C219-S221 PolarHBondContact O-N 3.01Å; S221-L239 WeakPolarHBondContact OG-CD2 3.48Å
222C93.6Very high89.3Confident53 Ų5351.7 Ų51.736%0.35829%0.292SS..THydrogen-bonded Turntrans-132.93.1-174.5690000114.8C219 V224C219-C222 VanDerWaalsContact CB-SG 3.58Å; C219-C222 PolarHBondContact SG-SG 2.98Å; C222-V224 PolarHBondContact O-N 3.24Å
223H92.6Very high89.3Confident106 Ų10654.5 Ų54.549%0.49131%0.307SS..  trans58.110.4177.6-58.5-79000116.4Q218 C219 P225Q218-H223 PolarHBondContact NE2-ND1 3.18Å; Q218-H223 VanDerWaalsContact NE2-ND1 3.16Å; Q218-H223 PolarHBondContact OE1-O 2.83Å; C219-H223 VanDerWaalsContact O-CA 3.25Å; C219-H223 WeakPolarHBondContact O-CA 3.4Å; C219-H223 PolarHBondContact O-N 2.99Å; H223-P225 WeakPolarHBondContact O-CD 3.36Å
224V92.4Very high89Confident60 Ų6057.5 Ų57.536%0.36432%0.32SS..  trans-65.1128.8171.9174.40000109.9Q218 C219 C222Q218-V224 WeakPolarHBondContact CA-O 3.36Å; C219-V224 PolarHBondContact N-O 3.05Å; C222-V224 PolarHBondContact O-N 3.24Å
225P90.9Very high88.9Confident69 Ų6956.9 Ų56.945%0.44833%0.331SS..BIsolated β-bridgetrans-59.3136174-25.634.9000112.1H223 K229H223-P225 WeakPolarHBondContact O-CD 3.36Å; P225-K229 PolarHBondContact O-NZ 3.33Å
226L90.4Very high88.7Confident0 Ų055.7 Ų55.70%032%0.319CS..  trans-101.1-5.7-178.4-62.8171.7000113F217 C219 G228 K229 P238 C240F217-L226 HydrophobicContact CD1-CB 3.63Å; F217-L226 HydrophobicContact CD1-CD1 4.47Å; F217-L226 HydrophobicContact CE1-CB 3.7Å; F217-L226 HydrophobicContact CE1-CD1 4.14Å; F217-L226 WeakPolarHBondContact O-CB 3.42Å; F217-L226 PolarHBondContact O-N 2.79Å; C219-L226 HydrophobicContact CB-CD1 4.42Å; C219-L226 HydrophobicContact CB-CD2 4.3Å; C219-L226 HydrophobicContact CB-CG 4.45Å; L226-G228 PolarHBondContact O-N 2.95Å; L226-K229 PolarHBondContact O-N 3.31Å; L226-K229 VanDerWaalsContact O-N 3.11Å; L226-P238 HydrophobicContact CD1-CB 3.76Å; L226-P238 HydrophobicContact CD1-CG 4.48Å; L226-C240 HydrophobicContact CD2-CB 3.69Å
227A86.8Confident88.6Confident19 Ų1958.1 Ų58.116%0.15733%0.329CS..BIsolated β-bridgetrans-49.3131.3167.300000111I205 E214 K229I205-A227 HydrophobicContact CD1-CB 3.54Å; E214-A227 HydrophobicContact CG-CB 3.81Å; A227-K229 PolarHBondContact O-N 3.49Å
228G82.8Confident88.5Confident44 Ų4458.1 Ų58.145%0.45433%0.329SS..THydrogen-bonded Turntrans64.323.2-179.800000114.6A158 L226A158-G228 PolarHBondContact O-N 3.06Å; L226-G228 PolarHBondContact O-N 2.95Å
229K85.7Confident88.4Confident94 Ų9455.8 Ų55.841%0.40932%0.318SS..SBendtrans-136160.6178.8-61.9174.4-165.51580111.7E157 A158 P225 L226 A227E157-K229 WeakPolarHBondContact CA-O 3.42Å; A158-K229 PolarHBondContact N-O 2.83Å; A158-K229 VanDerWaalsContact N-O 3.09Å; P225-K229 PolarHBondContact O-NZ 3.33Å; L226-K229 PolarHBondContact O-N 3.31Å; L226-K229 VanDerWaalsContact O-N 3.11Å; A227-K229 PolarHBondContact O-N 3.49Å
230Q85.4Confident88.3Confident103 Ų10357 Ų5748%0.48133%0.326SS..  trans-67.1147.3163.3-69.8-179-6.700110.3
231Y88.4Confident88.1Confident13 Ų1354.8 Ų54.85%0.05132%0.322CS..BIsolated β-bridgetrans-148.1155.8177.971.8-82000110.8N155 A158 A207 L208 F217 P238 L239N155-Y231 HydrophobicContact CB-CD1 4.02Å; N155-Y231 HydrophobicContact CB-CD2 4.35Å; N155-Y231 HydrophobicContact CB-CE1 3.49Å; N155-Y231 VanDerWaalsContact CB-CE1 3.49Å; N155-Y231 HydrophobicContact CB-CE2 3.87Å; N155-Y231 HydrophobicContact CB-CG 4.42Å; N155-Y231 VanDerWaalsContact CB-CZ 3.41Å; N155-Y231 PolarHBondContact N-O 2.98Å; N155-Y231 WeakPolarHBondContact ND2-CE2 3.5Å; N155-Y231 PolarHBondContact ND2-OH 3.4Å; A158-Y231 HydrophobicContact CB-CD1 3.96Å; A158-Y231 HydrophobicContact CB-CE1 3.84Å; A207-Y231 HydrophobicContact CB-CE2 4.4Å; A207-Y231 VanDerWaalsContact CB-OH 3.27Å; A207-Y231 WeakPolarHBondContact CB-OH 3.37Å; L208-Y231 HydrophobicContact CD2-CE2 4.02Å; L208-Y231 HydrophobicContact CG-CE2 4.42Å; F217-Y231 AromaticContact CE1-CD1 3.96Å; F217-Y231 HydrophobicContact CE1-CD1 3.96Å; F217-Y231 HydrophobicContact CE1-CD2 4.19Å; F217-Y231 HydrophobicContact CE1-CE1 4.1Å; F217-Y231 HydrophobicContact CE1-CE2 4.31Å; F217-Y231 HydrophobicContact CE1-CG 4.02Å; F217-Y231 HydrophobicContact CZ-CD1 4.25Å; F217-Y231 AromaticContact CZ-CD2 3.75Å; F217-Y231 HydrophobicContact CZ-CD2 3.75Å; F217-Y231 HydrophobicContact CZ-CE1 4.14Å; F217-Y231 AromaticContact CZ-CE2 3.62Å; F217-Y231 HydrophobicContact CZ-CE2 3.62Å; F217-Y231 HydrophobicContact CZ-CG 4.06Å; F217-Y231 AromaticContact CZ-CZ 3.83Å; Y231-P238 HydrophobicContact CD2-CB 4.31Å; Y231-L239 WeakPolarHBondContact CA-O 3.36Å
232Y88.5Confident87.9Confident23 Ų2353 Ų539%0.0932%0.317CS..EExtended strand (participates in β ladder)trans-115.6145.8-178.9-62.5-92.8000110.2P238 L239 E241 Y244Y232-P238 WeakPolarHBondContact O-CA 3.27Å; Y232-L239 PolarHBondContact N-O 3.18Å; Y232-L239 PolarHBondContact O-N 2.95Å; Y232-E241 HydrophobicContact CE2-CB 3.86Å; Y232-E241 HydrophobicContact CE2-CG 4.02Å; Y232-Y244 VanDerWaalsContact CB-CG 3.49Å; Y232-Y244 AromaticContact CD1-CD1 3.37Å; Y232-Y244 HydrophobicContact CD1-CD1 3.37Å; Y232-Y244 HydrophobicContact CD1-CD2 4.4Å; Y232-Y244 AromaticContact CD1-CE1 3.39Å; Y232-Y244 HydrophobicContact CD1-CE1 3.39Å; Y232-Y244 HydrophobicContact CD1-CE2 4.42Å; Y232-Y244 AromaticContact CD1-CG 3.91Å; Y232-Y244 HydrophobicContact CD1-CG 3.91Å; Y232-Y244 AromaticContact CD1-CZ 3.95Å; Y232-Y244 AromaticContact CD2-CD1 3.78Å; Y232-Y244 HydrophobicContact CD2-CD1 3.78Å; Y232-Y244 AromaticContact CD2-CG 3.89Å; Y232-Y244 HydrophobicContact CD2-CG 3.89Å; Y232-Y244 AromaticContact CE1-CD1 3.74Å; Y232-Y244 HydrophobicContact CE1-CD1 3.74Å; Y232-Y244 AromaticContact CE1-CE1 3.72Å; Y232-Y244 HydrophobicContact CE1-CE1 3.72Å; Y232-Y244 HydrophobicContact CE2-CD1 4.13Å; Y232-Y244 AromaticContact CG-CD1 3.38Å; Y232-Y244 HydrophobicContact CG-CD1 3.38Å; Y232-Y244 HydrophobicContact CG-CD2 4.05Å; Y232-Y244 AromaticContact CG-CE1 3.89Å; Y232-Y244 HydrophobicContact CG-CE1 3.89Å; Y232-Y244 HydrophobicContact CG-CE2 4.49Å; Y232-Y244 AromaticContact CG-CG 3.47Å; Y232-Y244 HydrophobicContact CG-CG 3.47Å; Y232-Y244 VanDerWaalsContact CG-CG 3.47Å
233N88Confident87.6Confident65 Ų6551.9 Ų51.935%0.34831%0.309SS..EExtended strand (participates in β ladder)trans-107.9116.4-179.7177.922.1000110.5L208 G236L208-N233 HydrophobicContact CD2-CB 3.76Å; L208-N233 VanDerWaalsContact CD2-CG 3.49Å; N233-G236 WeakPolarHBondContact OD1-CA 3.15Å; N233-G236 PolarHBondContact OD1-N 2.75Å
234K83.4Confident87.4Confident91 Ų9147.8 Ų47.840%0.39629%0.289SS..EExtended strand (participates in β ladder)trans-115.7100.6172.8-157.3171.9-165.9174.30108.6G236 I237 L239 S247K234-G236 VanDerWaalsContact C-N 3.32Å; K234-G236 PolarHBondContact O-N 2.88Å; K234-I237 PolarHBondContact N-O 3.46Å; K234-I237 WeakPolarHBondContact O-CB 3.42Å; K234-I237 WeakPolarHBondContact O-CG1 3.44Å; K234-I237 PolarHBondContact O-N 2.7Å; K234-L239 HydrophobicContact CB-CD1 4.15Å; K234-L239 HydrophobicContact CD-CD1 4.32Å; K234-S247 VanDerWaalsContact NZ-CB 3.34Å; K234-S247 PolarHBondContact NZ-O 3.12Å; K234-S247 PolarHBondContact NZ-OG 3.47Å
235A82.8Confident87Confident80 Ų8048.6 Ų48.666%0.66129%0.289SS*.THydrogen-bonded Turntrans51.640.7-178.300000115.1
236G82.9Confident86.7Confident39 Ų3949.6 Ų49.640%0.40230%0.303SS..THydrogen-bonded Turntrans87.50.3-177.800000114.6N233 K234 P238N233-G236 WeakPolarHBondContact OD1-CA 3.15Å; N233-G236 PolarHBondContact OD1-N 2.75Å; K234-G236 VanDerWaalsContact C-N 3.32Å; K234-G236 PolarHBondContact O-N 2.88Å; G236-P238 WeakPolarHBondContact O-CD 3.45Å
237I86.2Confident86.4Confident83 Ų8351.7 Ų51.743%0.42632%0.318SS..EExtended strand (participates in β ladder)trans-95.5116.5177.9-54.4179.1000109R220 K234 L239R220-I237 HydrophobicContact CB-CG2 3.52Å; R220-I237 HydrophobicContact CG-CG2 3.8Å; K234-I237 PolarHBondContact N-O 3.46Å; K234-I237 WeakPolarHBondContact O-CB 3.42Å; K234-I237 WeakPolarHBondContact O-CG1 3.44Å; K234-I237 PolarHBondContact O-N 2.7Å; I237-L239 HydrophobicContact CG2-CD2 4.08Å; I237-L239 HydrophobicContact CG2-CG 4.45Å
238P89.3Confident86.3Confident0 Ų052 Ų520%032%0.316CS..EExtended strand (participates in β ladder)trans-79.5130174.932.3-34.8000110.9F193 L208 F217 R220 L226 Y231 Y232 G236F193-P238 HydrophobicContact CE2-CG 3.96Å; F193-P238 HydrophobicContact CZ-CG 3.67Å; L208-P238 HydrophobicContact CD1-CB 4.46Å; F217-P238 HydrophobicContact CE2-CB 4.01Å; F217-P238 HydrophobicContact CE2-CG 4.18Å; F217-P238 HydrophobicContact CZ-CB 3.95Å; R220-P238 HydrophobicContact CG-CG 4.34Å; R220-P238 PolarHBondContact N-O 2.9Å; R220-P238 VanDerWaalsContact N-O 3.08Å; L226-P238 HydrophobicContact CD1-CB 3.76Å; L226-P238 HydrophobicContact CD1-CG 4.48Å; Y231-P238 HydrophobicContact CD2-CB 4.31Å; Y232-P238 WeakPolarHBondContact O-CA 3.27Å; G236-P238 WeakPolarHBondContact O-CD 3.45Å
239L90.8Very high86.5Confident8 Ų852.8 Ų52.84%0.04231%0.309CS..EExtended strand (participates in β ladder)trans-124.4145.3179.2-60.2176.8000110.1S221 Y231 Y232 K234 I237 Y244S221-L239 WeakPolarHBondContact OG-CD2 3.48Å; Y231-L239 WeakPolarHBondContact CA-O 3.36Å; Y232-L239 PolarHBondContact N-O 3.18Å; Y232-L239 PolarHBondContact O-N 2.95Å; K234-L239 HydrophobicContact CB-CD1 4.15Å; K234-L239 HydrophobicContact CD-CD1 4.32Å; I237-L239 HydrophobicContact CG2-CD2 4.08Å; I237-L239 HydrophobicContact CG2-CG 4.45Å; L239-Y244 HydrophobicContact CD1-CD2 4.49Å
240C90.3Very high86.7Confident24 Ų2452.9 Ų52.916%0.16231%0.313CS..  trans-73.6160.716365.40000110C219 L226 G242 C243 Y244C219-C240 HydrophobicContact CB-CB 4.17Å; C219-C240 PolarHBondContact SG-N 3.2Å; C219-C240 VanDerWaalsContact SG-N 3.4Å; L226-C240 HydrophobicContact CD2-CB 3.69Å; C240-G242 PolarHBondContact O-N 2.76Å; C240-C243 PolarHBondContact O-N 3.3Å; C240-C243 VanDerWaalsContact O-N 3.11Å; C240-C243 VanDerWaalsContact SG-SG 3.61Å; C240-Y244 PolarHBondContact O-N 3.45Å
241E87.4Confident86.9Confident93 Ų9348.1 Ų48.144%0.43529%0.291SS..Hα-helixtrans-48.1-54.5-179-175.5177.4-164.500113.7Y232 C243 Y244 Q245Y232-E241 HydrophobicContact CE2-CB 3.86Å; Y232-E241 HydrophobicContact CE2-CG 4.02Å; E241-C243 VanDerWaalsContact C-N 3.32Å; E241-C243 PolarHBondContact O-N 3Å; E241-Y244 WeakPolarHBondContact O-CA 3.39Å; E241-Y244 WeakPolarHBondContact O-CB 3.18Å; E241-Y244 PolarHBondContact O-N 2.73Å; E241-Q245 HydrophobicContact CG-CG 4.37Å; E241-Q245 WeakPolarHBondContact O-CB 3.35Å; E241-Q245 WeakPolarHBondContact O-CG 3.45Å; E241-Q245 PolarHBondContact O-N 3Å; E241-Q245 PolarHBondContact OE1-NE2 3.12Å
242G87.1Confident87Confident46 Ų4654.9 Ų54.947%0.47432%0.316SS..Hα-helixtrans-61.3-35.1-179.500000114.1C240 A246C240-G242 PolarHBondContact O-N 2.76Å; G242-A246 WeakPolarHBondContact O-CB 3.11Å; G242-A246 PolarHBondContact O-N 2.7Å
243C87.6Confident87Confident29 Ų2957.8 Ų57.820%0.19634%0.337CS..Hα-helixtrans-78.9-24.1174.7-68.40000113.1C240 E241 S247C240-C243 PolarHBondContact O-N 3.3Å; C240-C243 VanDerWaalsContact O-N 3.11Å; C240-C243 VanDerWaalsContact SG-SG 3.61Å; E241-C243 VanDerWaalsContact C-N 3.32Å; E241-C243 PolarHBondContact O-N 3Å; C243-S247 WeakPolarHBondContact O-CB 3.1Å
244Y87.6Confident87.2Confident20 Ų2057.6 Ų57.68%0.07834%0.34CS..Hα-helixtrans-70.7-53.9170.2177.1-114.8000110.1Q31 Y232 L239 C240 E241 A246 S247 L248Q31-Y244 PolarHBondContact NE2-OH 2.83Å; Y232-Y244 VanDerWaalsContact CB-CG 3.49Å; Y232-Y244 AromaticContact CD1-CD1 3.37Å; Y232-Y244 HydrophobicContact CD1-CD1 3.37Å; Y232-Y244 HydrophobicContact CD1-CD2 4.4Å; Y232-Y244 AromaticContact CD1-CE1 3.39Å; Y232-Y244 HydrophobicContact CD1-CE1 3.39Å; Y232-Y244 HydrophobicContact CD1-CE2 4.42Å; Y232-Y244 AromaticContact CD1-CG 3.91Å; Y232-Y244 HydrophobicContact CD1-CG 3.91Å; Y232-Y244 AromaticContact CD1-CZ 3.95Å; Y232-Y244 AromaticContact CD2-CD1 3.78Å; Y232-Y244 HydrophobicContact CD2-CD1 3.78Å; Y232-Y244 AromaticContact CD2-CG 3.89Å; Y232-Y244 HydrophobicContact CD2-CG 3.89Å; Y232-Y244 AromaticContact CE1-CD1 3.74Å; Y232-Y244 HydrophobicContact CE1-CD1 3.74Å; Y232-Y244 AromaticContact CE1-CE1 3.72Å; Y232-Y244 HydrophobicContact CE1-CE1 3.72Å; Y232-Y244 HydrophobicContact CE2-CD1 4.13Å; Y232-Y244 AromaticContact CG-CD1 3.38Å; Y232-Y244 HydrophobicContact CG-CD1 3.38Å; Y232-Y244 HydrophobicContact CG-CD2 4.05Å; Y232-Y244 AromaticContact CG-CE1 3.89Å; Y232-Y244 HydrophobicContact CG-CE1 3.89Å; Y232-Y244 HydrophobicContact CG-CE2 4.49Å; Y232-Y244 AromaticContact CG-CG 3.47Å; Y232-Y244 HydrophobicContact CG-CG 3.47Å; Y232-Y244 VanDerWaalsContact CG-CG 3.47Å; L239-Y244 HydrophobicContact CD1-CD2 4.49Å; C240-Y244 PolarHBondContact O-N 3.45Å; E241-Y244 WeakPolarHBondContact O-CA 3.39Å; E241-Y244 WeakPolarHBondContact O-CB 3.18Å; E241-Y244 PolarHBondContact O-N 2.73Å; Y244-A246 PolarHBondContact O-N 3.36Å; Y244-S247 CarbonylContact O-C 3.56Å; Y244-S247 WeakPolarHBondContact O-CA 3.5Å; Y244-S247 WeakPolarHBondContact O-CB 3.39Å; Y244-S247 PolarHBondContact O-N 3.37Å; Y244-S247 PolarHBondContact O-OG 2.85Å; Y244-L248 HydrophobicContact CD1-CD1 4.39Å; Y244-L248 HydrophobicContact CD2-CD2 4.31Å; Y244-L248 HydrophobicContact CE1-CD1 4.01Å; Y244-L248 HydrophobicContact CE1-CD2 4.26Å; Y244-L248 HydrophobicContact CE2-CD2 3.88Å; Y244-L248 WeakPolarHBondContact O-CG 3.32Å; Y244-L248 PolarHBondContact O-N 3.37Å
245Q85.3Confident87.4Confident78 Ų7855.4 Ų55.436%0.36434%0.343SS..Hα-helixtrans-53.1-48.2175.5-74.8178.13.700112.1E241 S247 L248 I257E241-Q245 HydrophobicContact CG-CG 4.37Å; E241-Q245 WeakPolarHBondContact O-CB 3.35Å; E241-Q245 WeakPolarHBondContact O-CG 3.45Å; E241-Q245 PolarHBondContact O-N 3Å; E241-Q245 PolarHBondContact OE1-NE2 3.12Å; Q245-S247 PolarHBondContact O-N 3.32Å; Q245-L248 WeakPolarHBondContact O-CB 3.35Å; Q245-L248 PolarHBondContact O-N 3.46Å; Q245-I257 HydrophobicContact CB-CD1 3.87Å; Q245-I257 HydrophobicContact CG-CD1 4.47Å
246A84Confident87.7Confident90 Ų9057.9 Ų57.974%0.74434%0.341SS*.THydrogen-bonded Turntrans-67.6-1.5175.200000114.7G242 Y244G242-A246 WeakPolarHBondContact O-CB 3.11Å; G242-A246 PolarHBondContact O-N 2.7Å; Y244-A246 PolarHBondContact O-N 3.36Å
247S83.3Confident87.9Confident43 Ų4358.6 Ų58.630%0.30134%0.335SS..THydrogen-bonded Turntrans-110.77173.6860000113.4K234 C243 Y244 Q245K234-S247 VanDerWaalsContact NZ-CB 3.34Å; K234-S247 PolarHBondContact NZ-O 3.12Å; K234-S247 PolarHBondContact NZ-OG 3.47Å; C243-S247 WeakPolarHBondContact O-CB 3.1Å; Y244-S247 CarbonylContact O-C 3.56Å; Y244-S247 WeakPolarHBondContact O-CA 3.5Å; Y244-S247 WeakPolarHBondContact O-CB 3.39Å; Y244-S247 PolarHBondContact O-N 3.37Å; Y244-S247 PolarHBondContact O-OG 2.85Å; Q245-S247 PolarHBondContact O-N 3.32Å
248L84.9Confident87.9Confident25 Ų2554.7 Ų54.713%0.13132%0.315CS..SBendtrans-95.5164.1175.3-54.9-168.4000110.3Y244 Q245 I257Y244-L248 HydrophobicContact CD1-CD1 4.39Å; Y244-L248 HydrophobicContact CD2-CD2 4.31Å; Y244-L248 HydrophobicContact CE1-CD1 4.01Å; Y244-L248 HydrophobicContact CE1-CD2 4.26Å; Y244-L248 HydrophobicContact CE2-CD2 3.88Å; Y244-L248 WeakPolarHBondContact O-CG 3.32Å; Y244-L248 PolarHBondContact O-N 3.37Å; Q245-L248 WeakPolarHBondContact O-CB 3.35Å; Q245-L248 PolarHBondContact O-N 3.46Å; L248-I257 HydrophobicContact CB-CG2 3.63Å; L248-I257 HydrophobicContact CD1-CG2 3.73Å; L248-I257 HydrophobicContact CG-CG2 4.24Å
249E87Confident87.5Confident62 Ų6257.9 Ų57.929%0.2934%0.335SS..PPolyproline II helixtrans-87.2143.8-179.9-68.3169.4151.500111.1I258 I262 R264 T269E249-I258 PolarHBondContact O-N 3.06Å; E249-I262 WeakPolarHBondContact OE2-CD1 3.35Å; E249-R264 IonicContact OE1-CZ 3.6Å; E249-R264 IonicContact OE1-NH1 3.4Å; E249-R264 PolarHBondContact OE1-NH1 2.94Å; E249-R264 IonicContact OE1-NH2 3.85Å; E249-R264 PolarHBondContact OE1-NH2 3.2Å; E249-R264 IonicContact OE2-CZ 3.33Å; E249-R264 VanDerWaalsContact OE2-CZ 3.3Å; E249-R264 IonicContact OE2-NH1 2.73Å; E249-R264 PolarHBondContact OE2-NH1 3.19Å; E249-R264 IonicContact OE2-NH2 3Å; E249-R264 PolarHBondContact OE2-NH2 3.16Å; E249-T269 HydrophobicContact CB-CG2 4.24Å; E249-T269 HydrophobicContact CG-CG2 4.45Å
250L90.1Very high86.9Confident96 Ų9660.7 Ų60.750%0.50335%0.35SS..BIsolated β-bridgetrans-88150.6174.6-55.9-178000110.5E256 I257 T269L250-E256 CarbonylContact C-O 3.54Å; L250-E256 WeakPolarHBondContact CA-O 3.16Å; L250-I257 HydrophobicContact CD2-CB 4.35Å; L250-I257 HydrophobicContact CD2-CG1 3.51Å; L250-T269 PolarHBondContact O-OG1 2.86Å
251C90.7Very high86.6Confident2 Ų264 Ų641%0.01436%0.363CS..PPolyproline II helixtrans-80.4129.9168.9175.40000110.7T253 G255 E256 I258 T269 H271 C274C251-T253 VanDerWaalsContact C-N 3.27Å; C251-T253 PolarHBondContact O-N 2.95Å; C251-T253 PolarHBondContact SG-N 2.85Å; C251-G255 VanDerWaalsContact O-CA 3.28Å; C251-G255 WeakPolarHBondContact O-CA 3.33Å; C251-G255 PolarHBondContact O-N 3.28Å; C251-E256 PolarHBondContact N-O 3.16Å; C251-I258 HydrophobicContact CB-CD1 4.15Å; C251-I258 HydrophobicContact CB-CG1 3.9Å; C251-T269 CarbonylContact C-O 3.53Å; C251-T269 WeakPolarHBondContact CA-O 3.34Å; C251-H271 WeakPolarHBondContact CB-CE1 3.14Å; C251-H271 WeakPolarHBondContact CB-ND1 3.37Å; C251-H271 PolarHBondContact SG-ND1 2.87Å; C251-C274 VanDerWaalsContact SG-CB 3.58Å
252W89.8Confident86.6Confident155 Ų15559.6 Ų59.659%0.58734%0.342SS*.THydrogen-bonded Turntrans-62.1-31.7179.1-174.7-86.8000113.4R268 T269 Y270W252-R268 HydrophobicContact CB-CB 4.41Å; W252-R268 HydrophobicContact CD2-CG 4.17Å; W252-R268 VanDerWaalsContact CE2-CZ 3.42Å; W252-R268 HydrophobicContact CE3-CG 4Å; W252-R268 HydrophobicContact CG-CG 4.41Å; W252-R268 VanDerWaalsContact CZ2-CZ 3.43Å; W252-T269 PolarHBondContact N-O 3.18Å; W252-Y270 HydrophobicContact CB-CD1 4.21Å; W252-Y270 HydrophobicContact CB-CE1 3.81Å; W252-Y270 HydrophobicContact CG-CE1 4.35Å
253T89.1Confident86.6Confident85 Ų8557.5 Ų57.552%0.52132%0.32SS..THydrogen-bonded Turntrans-78.4-40.9-174.7-48.50000113.5C251 Y270 C274C251-T253 VanDerWaalsContact C-N 3.27Å; C251-T253 PolarHBondContact O-N 2.95Å; C251-T253 PolarHBondContact SG-N 2.85Å; T253-Y270 WeakPolarHBondContact OG1-CD1 3.46Å; T253-C274 HydrophobicContact CG2-CB 4.35Å; T253-C274 PolarHBondContact OG1-O 2.92Å; T253-C274 VanDerWaalsContact OG1-O 3.12Å
254C90.7Very high86.8Confident60 Ų6060.8 Ų60.841%0.40533%0.328SS..THydrogen-bonded Turntrans-112.6-13.5-17662.20000114.6E256 H271C254-E256 HydrophobicContact CB-CG 4.44Å; C254-E256 PolarHBondContact O-N 2.91Å; C254-H271 VanDerWaalsContact SG-CE1 3.54Å
255G88.5Confident86.7Confident46 Ų4660.2 Ų60.247%0.47433%0.328SS..  trans76.4-5.3-175.300000115.1C251C251-G255 VanDerWaalsContact O-CA 3.28Å; C251-G255 WeakPolarHBondContact O-CA 3.33Å; C251-G255 PolarHBondContact O-N 3.28Å
256E88.7Confident86.7Confident132 Ų13258.3 Ų58.362%0.61732%0.32SS*.PPolyproline II helixtrans-80.4158.8179.8-58.6-174.4152.300112.4L250 C251 C254L250-E256 CarbonylContact C-O 3.54Å; L250-E256 WeakPolarHBondContact CA-O 3.16Å; C251-E256 PolarHBondContact N-O 3.16Å; C254-E256 HydrophobicContact CB-CG 4.44Å; C254-E256 PolarHBondContact O-N 2.91Å
257I87Confident86.7Confident54 Ų5464.1 Ų64.128%0.27733%0.332SS..BIsolated β-bridgetrans-67.3137.7178.2-66167.5000110.6Q245 L248 L250 T259 H271Q245-I257 HydrophobicContact CB-CD1 3.87Å; Q245-I257 HydrophobicContact CG-CD1 4.47Å; L248-I257 HydrophobicContact CB-CG2 3.63Å; L248-I257 HydrophobicContact CD1-CG2 3.73Å; L248-I257 HydrophobicContact CG-CG2 4.24Å; L250-I257 HydrophobicContact CD2-CB 4.35Å; L250-I257 HydrophobicContact CD2-CG1 3.51Å; I257-T259 HydrophobicContact CG2-CG2 4.32Å; I257-H271 PolarHBondContact O-NE2 2.89Å
258I87.3Confident86.9Confident0 Ų065.8 Ų65.80%033%0.332CS..PPolyproline II helixtrans-89.3119.5169.4-52168.1000108.2Q29 E249 C251 Q261 I262Q29-I258 PolarHBondContact NE2-O 2.88Å; Q29-I258 PolarHBondContact OE1-O 3.22Å; E249-I258 PolarHBondContact O-N 3.06Å; C251-I258 HydrophobicContact CB-CD1 4.15Å; C251-I258 HydrophobicContact CB-CG1 3.9Å; I258-Q261 WeakPolarHBondContact CG2-O 3.35Å; I258-I262 HydrophobicContact CB-CG1 4.1Å; I258-I262 HydrophobicContact CD1-CG1 4.29Å; I258-I262 HydrophobicContact CD1-CG2 4.12Å; I258-I262 HydrophobicContact CG2-CB 4.33Å; I258-I262 HydrophobicContact CG2-CG1 3.53Å
259T80.6Confident87.2Confident68 Ų6865.8 Ų65.842%0.41733%0.333SS..  trans-99.8-28-174.941.20000114.8I257I257-T259 HydrophobicContact CG2-CG2 4.32Å
260D77.3Confident87.4Confident66 Ų6663.2 Ų63.235%0.35332%0.32SS..SBendtrans-124-79.5-166.7-52.4-94.4000111.9Q29 H151Q29-D260 PolarHBondContact N-O 2.98Å; H151-D260 IonicContact ND1-OD1 3.76Å
261Q83.9Confident87.4Confident93 Ų9360.1 Ų60.144%0.43530%0.303SS..EExtended strand (participates in β ladder)trans-105.8130179.1-63.2-176.216.100110.9Q28 I258 P272Q28-Q261 HydrophobicContact CG-CG 4.49Å; I258-Q261 WeakPolarHBondContact CG2-O 3.35Å; Q261-P272 HydrophobicContact CB-CG 3.77Å; Q261-P272 WeakPolarHBondContact O-CD 3.48Å
262I87.9Confident87.3Confident2 Ų261.8 Ų61.81%0.0131%0.314CS..EExtended strand (participates in β ladder)trans-108.6124.2175.4-57.1150.8000108.6T27 Q29 E249 I258 R264 T269T27-I262 PolarHBondContact N-O 2.9Å; T27-I262 PolarHBondContact O-N 2.88Å; Q29-I262 HydrophobicContact CB-CD1 3.65Å; Q29-I262 HydrophobicContact CB-CG1 4.33Å; Q29-I262 HydrophobicContact CG-CD1 3.79Å; E249-I262 WeakPolarHBondContact OE2-CD1 3.35Å; I258-I262 HydrophobicContact CB-CG1 4.1Å; I258-I262 HydrophobicContact CD1-CG1 4.29Å; I258-I262 HydrophobicContact CD1-CG2 4.12Å; I258-I262 HydrophobicContact CG2-CB 4.33Å; I258-I262 HydrophobicContact CG2-CG1 3.53Å; I262-R264 HydrophobicContact CG2-CG 3.95Å; I262-T269 HydrophobicContact CG2-CG2 3.83Å
263I88.3Confident87.3Confident2 Ų257.8 Ų57.81%0.0131%0.309CS..EExtended strand (participates in β ladder)trans-85124161.8-51.6-59.3000107.7A24 V26 A265 T269 Y270 P272 F275A24-I263 HydrophobicContact CB-CG2 3.76Å; V26-I263 HydrophobicContact CB-CD1 4.34Å; V26-I263 HydrophobicContact CG1-CD1 4.1Å; V26-I263 HydrophobicContact CG2-CD1 3.66Å; I263-A265 HydrophobicContact CG2-CB 4.46Å; I263-T269 WeakPolarHBondContact O-CA 3.44Å; I263-Y270 PolarHBondContact N-O 3.49Å; I263-Y270 PolarHBondContact O-N 2.83Å; I263-P272 HydrophobicContact CD1-CB 4.18Å; I263-P272 HydrophobicContact CD1-CG 4.07Å; I263-P272 HydrophobicContact CG1-CB 4.26Å; I263-P272 HydrophobicContact CG1-CG 4.16Å; I263-F275 HydrophobicContact CB-CB 4.39Å; I263-F275 HydrophobicContact CB-CG 4.43Å; I263-F275 HydrophobicContact CG1-CB 4.18Å; I263-F275 HydrophobicContact CG2-CB 4.16Å; I263-F275 HydrophobicContact CG2-CD1 3.63Å; I263-F275 HydrophobicContact CG2-CD2 4.09Å; I263-F275 HydrophobicContact CG2-CE1 4.03Å; I263-F275 HydrophobicContact CG2-CE2 4.45Å; I263-F275 HydrophobicContact CG2-CG 3.69Å; I263-F275 HydrophobicContact CG2-CZ 4.43Å
264R90.1Very high87.4Confident97 Ų9755 Ų5537%0.36629%0.293SS..EExtended strand (participates in β ladder)trans-104.6118.9169.8-62-175.1-172.7-86.8-4.1110T25 T27 E249 I262 R268 T269T25-R264 PolarHBondContact N-O 3.4Å; T25-R264 PolarHBondContact O-N 3.28Å; T27-R264 PolarHBondContact OG1-NE 3.26Å; E249-R264 IonicContact OE1-CZ 3.6Å; E249-R264 IonicContact OE1-NH1 3.4Å; E249-R264 PolarHBondContact OE1-NH1 2.94Å; E249-R264 IonicContact OE1-NH2 3.85Å; E249-R264 PolarHBondContact OE1-NH2 3.2Å; E249-R264 IonicContact OE2-CZ 3.33Å; E249-R264 VanDerWaalsContact OE2-CZ 3.3Å; E249-R264 IonicContact OE2-NH1 2.73Å; E249-R264 PolarHBondContact OE2-NH1 3.19Å; E249-R264 IonicContact OE2-NH2 3Å; E249-R264 PolarHBondContact OE2-NH2 3.16Å; I262-R264 HydrophobicContact CG2-CG 3.95Å; R264-R268 WeakPolarHBondContact CA-O 3.11Å; R264-T269 HydrophobicContact CG-CG2 4.46Å
265A86.1Confident87.5Confident9 Ų952.1 Ų52.17%0.07427%0.274CS..EExtended strand (participates in β ladder)trans-154.9143-177.800000109.7A24 I263 E267 R268 Y270 F275 F289A24-A265 HydrophobicContact CB-CB 4.23Å; I263-A265 HydrophobicContact CG2-CB 4.46Å; A265-E267 VanDerWaalsContact C-N 3.27Å; A265-E267 PolarHBondContact O-N 2.85Å; A265-R268 PolarHBondContact N-O 3.45Å; A265-R268 CarbonylContact O-C 3.54Å; A265-R268 WeakPolarHBondContact O-CA 3.29Å; A265-R268 PolarHBondContact O-N 2.57Å; A265-R268 VanDerWaalsContact O-O 3.09Å; A265-Y270 HydrophobicContact CB-CE2 4.3Å; A265-F275 HydrophobicContact CB-CD2 4.4Å; A265-F275 HydrophobicContact CB-CE1 4.43Å; A265-F275 HydrophobicContact CB-CE2 3.45Å; A265-F275 VanDerWaalsContact CB-CE2 3.45Å; A265-F275 HydrophobicContact CB-CZ 3.48Å; A265-F275 VanDerWaalsContact CB-CZ 3.48Å; A265-F289 HydrophobicContact CB-CE1 4.11Å; A265-F289 HydrophobicContact CB-CZ 3.76Å
266I85.3Confident87.7Confident37 Ų3751.7 Ų51.719%0.1926%0.262CS..THydrogen-bonded Turntrans4848.5179-42173.8000112R268 F289 Q291 V297I266-R268 WeakPolarHBondContact O-CG 3.43Å; I266-R268 PolarHBondContact O-N 2.84Å; I266-F289 HydrophobicContact CD1-CE2 4.12Å; I266-F289 HydrophobicContact CG1-CE2 4.03Å; I266-F289 HydrophobicContact CG1-CZ 4.25Å; I266-Q291 HydrophobicContact CD1-CB 3.98Å; I266-Q291 HydrophobicContact CD1-CG 3.75Å; I266-Q291 HydrophobicContact CG1-CG 4.43Å; I266-V297 HydrophobicContact CD1-CG1 3.49Å; I266-V297 VanDerWaalsContact CD1-CG1 3.49Å
267E83.5Confident87.9Confident212 Ų21245.4 Ų45.499%0.99123%0.233SC*.THydrogen-bonded Turntrans55.711.8-177.2-53.4-172.5132.900115.5A265A265-E267 VanDerWaalsContact C-N 3.27Å; A265-E267 PolarHBondContact O-N 2.85Å
268R88.6Confident88.1Confident79 Ų7946.1 Ų46.130%0.29824%0.24SC..EExtended strand (participates in β ladder)trans-120.9163.8-174.1-72.9168.1178.3176.83.1111.9W252 R264 A265 I266 Y270W252-R268 HydrophobicContact CB-CB 4.41Å; W252-R268 HydrophobicContact CD2-CG 4.17Å; W252-R268 VanDerWaalsContact CE2-CZ 3.42Å; W252-R268 HydrophobicContact CE3-CG 4Å; W252-R268 HydrophobicContact CG-CG 4.41Å; W252-R268 VanDerWaalsContact CZ2-CZ 3.43Å; R264-R268 WeakPolarHBondContact CA-O 3.11Å; A265-R268 PolarHBondContact N-O 3.45Å; A265-R268 CarbonylContact O-C 3.54Å; A265-R268 WeakPolarHBondContact O-CA 3.29Å; A265-R268 PolarHBondContact O-N 2.57Å; A265-R268 VanDerWaalsContact O-O 3.09Å; I266-R268 WeakPolarHBondContact O-CG 3.43Å; I266-R268 PolarHBondContact O-N 2.84Å; R268-Y270 HydrophobicContact CB-CD2 4.45Å; R268-Y270 HydrophobicContact CB-CE2 3.55Å
269T90.4Very high88.3Confident25 Ų2549.7 Ų49.715%0.15326%0.261CS..EExtended strand (participates in β ladder)trans-115.6134.6-175.341.90000110.5E249 L250 C251 W252 I262 I263 R264E249-T269 HydrophobicContact CB-CG2 4.24Å; E249-T269 HydrophobicContact CG-CG2 4.45Å; L250-T269 PolarHBondContact O-OG1 2.86Å; C251-T269 CarbonylContact C-O 3.53Å; C251-T269 WeakPolarHBondContact CA-O 3.34Å; W252-T269 PolarHBondContact N-O 3.18Å; I262-T269 HydrophobicContact CG2-CG2 3.83Å; I263-T269 WeakPolarHBondContact O-CA 3.44Å; R264-T269 HydrophobicContact CG-CG2 4.46Å
270Y90.8Very high88.9Confident8 Ų849.2 Ų49.23%0.03126%0.261CS..EExtended strand (participates in β ladder)trans-140.6148.4-177.1-52.3-100.7000111.4W252 T253 I263 A265 R268 F275W252-Y270 HydrophobicContact CB-CD1 4.21Å; W252-Y270 HydrophobicContact CB-CE1 3.81Å; W252-Y270 HydrophobicContact CG-CE1 4.35Å; T253-Y270 WeakPolarHBondContact OG1-CD1 3.46Å; I263-Y270 PolarHBondContact N-O 3.49Å; I263-Y270 PolarHBondContact O-N 2.83Å; A265-Y270 HydrophobicContact CB-CE2 4.3Å; R268-Y270 HydrophobicContact CB-CD2 4.45Å; R268-Y270 HydrophobicContact CB-CE2 3.55Å; Y270-F275 HydrophobicContact CD1-CD2 4.19Å; Y270-F275 AromaticContact CD2-CD2 3.8Å; Y270-F275 HydrophobicContact CD2-CD2 3.8Å; Y270-F275 HydrophobicContact CD2-CE2 4.23Å; Y270-F275 HydrophobicContact CE1-CD2 4.47Å; Y270-F275 HydrophobicContact CE2-CD2 4.13Å; Y270-F275 HydrophobicContact CE2-CE2 4.19Å; Y270-F275 HydrophobicContact CG-CB 4.49Å; Y270-F275 AromaticContact CG-CD2 3.85Å; Y270-F275 HydrophobicContact CG-CD2 3.85Å
271H91Very high89.6Confident30 Ų3051.6 Ų51.614%0.13927%0.273CS..  trans-65.9150.3159.8-55.197.6000109.7C251 C254 I257 S273 C274 F275C251-H271 WeakPolarHBondContact CB-CE1 3.14Å; C251-H271 WeakPolarHBondContact CB-ND1 3.37Å; C251-H271 PolarHBondContact SG-ND1 2.87Å; C254-H271 VanDerWaalsContact SG-CE1 3.54Å; I257-H271 PolarHBondContact O-NE2 2.89Å; H271-S273 PolarHBondContact O-N 2.87Å; H271-C274 HydrophobicContact CB-CB 4.13Å; H271-C274 PolarHBondContact O-N 3.13Å; H271-F275 PolarHBondContact O-N 2.9Å
272P88.9Confident90Very high37 Ų3753.3 Ų53.324%0.2428%0.281CS..G310 helixtrans-57.1-33175.6-24.733.8000113.7Q261 I263 C274Q261-P272 HydrophobicContact CB-CG 3.77Å; Q261-P272 WeakPolarHBondContact O-CD 3.48Å; I263-P272 HydrophobicContact CD1-CB 4.18Å; I263-P272 HydrophobicContact CD1-CG 4.07Å; I263-P272 HydrophobicContact CG1-CB 4.26Å; I263-P272 HydrophobicContact CG1-CG 4.16Å; P272-C274 VanDerWaalsContact C-N 3.33Å
273S89.9Confident90.1Very high71 Ų7158.9 Ų58.950%0.49731%0.307SS..G310 helixtrans-71.4-2417548.40000114.2H271 T276H271-S273 PolarHBondContact O-N 2.87Å; S273-T276 WeakPolarHBondContact O-CG2 3.31Å
274C90.8Very high90.2Very high27 Ų2759 Ų5918%0.18231%0.308CS..G310 helixtrans-99.1-3.8-177.4-69.10000113.7C251 T253 H271 P272 T276C251-C274 VanDerWaalsContact SG-CB 3.58Å; T253-C274 HydrophobicContact CG2-CB 4.35Å; T253-C274 PolarHBondContact OG1-O 2.92Å; T253-C274 VanDerWaalsContact OG1-O 3.12Å; H271-C274 HydrophobicContact CB-CB 4.13Å; H271-C274 PolarHBondContact O-N 3.13Å; P272-C274 VanDerWaalsContact C-N 3.33Å; C274-T276 PolarHBondContact O-N 2.78Å
275F92.6Very high89.9Confident0 Ų055.3 Ų55.30%030%0.299CS..  trans-97.973.5175.8-165.5-113000110A24 I263 A265 Y270 H271 I284 F289 V297A24-F275 HydrophobicContact CB-CD1 4.46Å; A24-F275 HydrophobicContact CB-CE1 3.72Å; A24-F275 HydrophobicContact CB-CZ 4.15Å; I263-F275 HydrophobicContact CB-CB 4.39Å; I263-F275 HydrophobicContact CB-CG 4.43Å; I263-F275 HydrophobicContact CG1-CB 4.18Å; I263-F275 HydrophobicContact CG2-CB 4.16Å; I263-F275 HydrophobicContact CG2-CD1 3.63Å; I263-F275 HydrophobicContact CG2-CD2 4.09Å; I263-F275 HydrophobicContact CG2-CE1 4.03Å; I263-F275 HydrophobicContact CG2-CE2 4.45Å; I263-F275 HydrophobicContact CG2-CG 3.69Å; I263-F275 HydrophobicContact CG2-CZ 4.43Å; A265-F275 HydrophobicContact CB-CD2 4.4Å; A265-F275 HydrophobicContact CB-CE1 4.43Å; A265-F275 HydrophobicContact CB-CE2 3.45Å; A265-F275 VanDerWaalsContact CB-CE2 3.45Å; A265-F275 HydrophobicContact CB-CZ 3.48Å; A265-F275 VanDerWaalsContact CB-CZ 3.48Å; Y270-F275 HydrophobicContact CD1-CD2 4.19Å; Y270-F275 AromaticContact CD2-CD2 3.8Å; Y270-F275 HydrophobicContact CD2-CD2 3.8Å; Y270-F275 HydrophobicContact CD2-CE2 4.23Å; Y270-F275 HydrophobicContact CE1-CD2 4.47Å; Y270-F275 HydrophobicContact CE2-CD2 4.13Å; Y270-F275 HydrophobicContact CE2-CE2 4.19Å; Y270-F275 HydrophobicContact CG-CB 4.49Å; Y270-F275 AromaticContact CG-CD2 3.85Å; Y270-F275 HydrophobicContact CG-CD2 3.85Å; H271-F275 PolarHBondContact O-N 2.9Å; F275-I284 HydrophobicContact CD1-CB 3.78Å; F275-I284 HydrophobicContact CD1-CG2 4.06Å; F275-I284 HydrophobicContact CE1-CB 3.84Å; F275-I284 HydrophobicContact CE1-CD1 4.43Å; F275-I284 HydrophobicContact CE1-CG2 3.63Å; F275-I284 PolarHBondContact O-N 2.99Å; F275-F289 HydrophobicContact CE1-CD1 4.12Å; F275-F289 HydrophobicContact CE1-CE1 4.33Å; F275-F289 HydrophobicContact CE1-CG 4.47Å; F275-F289 AromaticContact CZ-CD1 3.92Å; F275-F289 HydrophobicContact CZ-CD1 3.92Å; F275-F289 HydrophobicContact CZ-CD2 4.22Å; F275-F289 AromaticContact CZ-CE1 3.83Å; F275-F289 HydrophobicContact CZ-CE1 3.83Å; F275-F289 HydrophobicContact CZ-CE2 4.15Å; F275-F289 HydrophobicContact CZ-CG 4.13Å; F275-F289 AromaticContact CZ-CZ 3.96Å; F275-F289 HydrophobicContact CZ-CZ 3.96Å; F275-V297 HydrophobicContact CE2-CB 4.47Å; F275-V297 HydrophobicContact CE2-CG1 3.93Å; F275-V297 HydrophobicContact CE2-CG2 4.46Å; F275-V297 HydrophobicContact CZ-CG1 4.27Å
276T93.1Very high89.5Confident36 Ų3657.4 Ų57.422%0.22132%0.317CS..BIsolated β-bridgetrans-113152.9-173.449.80000112.3S273 C274 T278 N281 Q282 Q283 V297S273-T276 WeakPolarHBondContact O-CG2 3.31Å; C274-T276 PolarHBondContact O-N 2.78Å; T276-T278 PolarHBondContact O-N 3.48Å; T276-N281 WeakPolarHBondContact CG2-O 3.4Å; T276-Q282 CarbonylContact C-O 3.53Å; T276-Q282 VanDerWaalsContact CA-O 3.24Å; T276-Q282 WeakPolarHBondContact CA-O 3.46Å; T276-Q283 HydrophobicContact CG2-CB 4.45Å; T276-Q283 HydrophobicContact CG2-CG 3.79Å; T276-V297 WeakPolarHBondContact O-CG2 3.36Å
277C92.8Very high89.3Confident0 Ų061.5 Ų61.50%034%0.335CS..  trans-65.8129.7173.6179.60000111.3T279 C280 N281 Q282 I284 V297 C299 D302C277-T279 PolarHBondContact O-N 3.21Å; C277-T279 PolarHBondContact SG-N 3.05Å; C277-T279 VanDerWaalsContact SG-N 3.45Å; C277-C280 VanDerWaalsContact CB-SG 3.52Å; C277-N281 WeakPolarHBondContact O-CA 3.25Å; C277-N281 PolarHBondContact O-N 3.07Å; C277-Q282 PolarHBondContact N-O 2.9Å; C277-I284 HydrophobicContact CB-CD1 4.33Å; C277-I284 HydrophobicContact CB-CG1 4.47Å; C277-V297 CarbonylContact C-O 3.52Å; C277-V297 WeakPolarHBondContact CA-O 3.35Å; C277-C299 HydrophobicContact CB-CB 4.19Å; C277-C299 PolarHBondContact SG-N 2.9Å; C277-D302 PolarHBondContact SG-OD2 3.38Å
278T91.7Very high89.3Confident69 Ų6953.1 Ų53.142%0.42330%0.302SS..THydrogen-bonded Turntrans-59.9-26.4178.1-52.30000113.2T276 V297T276-T278 PolarHBondContact O-N 3.48Å; T278-V297 PolarHBondContact N-O 3.48Å; T278-V297 PolarHBondContact OG1-N 2.94Å; T278-V297 PolarHBondContact OG1-O 3.35Å; T278-V297 VanDerWaalsContact OG1-O 3.12Å
279T91.4Very high89.3Confident75 Ų7549.4 Ų49.446%0.4629%0.288SS..THydrogen-bonded Turntrans-84.8-68.8176.6-57.50000112.3C277 N281 Y298 D302C277-T279 PolarHBondContact O-N 3.21Å; C277-T279 PolarHBondContact SG-N 3.05Å; C277-T279 VanDerWaalsContact SG-N 3.45Å; T279-N281 PolarHBondContact O-ND2 3.08Å; T279-Y298 WeakPolarHBondContact OG1-CD1 3.24Å; T279-Y298 VanDerWaalsContact OG1-CE1 3.31Å; T279-Y298 WeakPolarHBondContact OG1-CE1 3.16Å; T279-D302 WeakPolarHBondContact CB-OD2 3.31Å; T279-D302 HydrophobicContact CG2-CB 4.12Å
280C92.9Very high89.2Confident59 Ų5948.2 Ų48.240%0.39928%0.281SS..THydrogen-bonded Turntrans-86.1-4.5-174640000115.6C277 Q282 D302C277-C280 VanDerWaalsContact CB-SG 3.52Å; C280-Q282 PolarHBondContact O-N 3.4Å; C280-D302 VanDerWaalsContact CB-OD2 3.25Å; C280-D302 WeakPolarHBondContact CB-OD2 3.39Å; C280-D302 PolarHBondContact N-OD2 3.26Å; C280-D302 PolarHBondContact SG-OD2 3.2Å
281N92Very high89.1Confident115 Ų11551.2 Ų51.262%0.61530%0.295SS*.  trans58.99.3-175.5-67-93.9000115.4T276 C277 T279T276-N281 WeakPolarHBondContact CG2-O 3.4Å; C277-N281 WeakPolarHBondContact O-CA 3.25Å; C277-N281 PolarHBondContact O-N 3.07Å; T279-N281 PolarHBondContact O-ND2 3.08Å
282Q91.5Very high88.7Confident129 Ų12950 Ų5060%0.60329%0.291SS*.  trans-72.5140.7175.9-170.1171.64.800111.4T276 C277 C280 I284T276-Q282 CarbonylContact C-O 3.53Å; T276-Q282 VanDerWaalsContact CA-O 3.24Å; T276-Q282 WeakPolarHBondContact CA-O 3.46Å; C277-Q282 PolarHBondContact N-O 2.9Å; C280-Q282 PolarHBondContact O-N 3.4Å; Q282-I284 PolarHBondContact O-N 3.43Å
283Q90.8Very high88.1Confident120 Ų12056.5 Ų56.556%0.56132%0.318SS*.BIsolated β-bridgetrans-65.7128.4175.8-67.5170.44.100110.8T276T276-Q283 HydrophobicContact CG2-CB 4.45Å; T276-Q283 HydrophobicContact CG2-CG 3.79Å
284I89.9Confident87.5Confident5 Ų559.2 Ų59.23%0.02633%0.332CS..  trans-87.5-38.8-179-63172.2000110.5F275 C277 Q282 A286 Q287 F289 V297F275-I284 HydrophobicContact CD1-CB 3.78Å; F275-I284 HydrophobicContact CD1-CG2 4.06Å; F275-I284 HydrophobicContact CE1-CB 3.84Å; F275-I284 HydrophobicContact CE1-CD1 4.43Å; F275-I284 HydrophobicContact CE1-CG2 3.63Å; F275-I284 PolarHBondContact O-N 2.99Å; C277-I284 HydrophobicContact CB-CD1 4.33Å; C277-I284 HydrophobicContact CB-CG1 4.47Å; Q282-I284 PolarHBondContact O-N 3.43Å; I284-A286 PolarHBondContact O-N 3.05Å; I284-Q287 HydrophobicContact CG2-CB 4.26Å; I284-Q287 VanDerWaalsContact O-CB 3.29Å; I284-Q287 WeakPolarHBondContact O-CB 3.34Å; I284-Q287 WeakPolarHBondContact O-CG 3.39Å; I284-Q287 PolarHBondContact O-N 3.14Å; I284-F289 HydrophobicContact CD1-CB 4.16Å; I284-F289 HydrophobicContact CG2-CB 3.83Å; I284-F289 HydrophobicContact CG2-CG 4.48Å; I284-V297 HydrophobicContact CD1-CB 4.35Å
285G83.4Confident86.8Confident18 Ų1858.9 Ų58.919%0.18633%0.332CS..THydrogen-bonded Turntrans56-11817900000113A24A24-G285 WeakPolarHBondContact CB-O 3.41Å
286A77.6Confident86.5Confident54 Ų5462 Ų6245%0.44635%0.347SS..THydrogen-bonded Turntrans-94.85.3179.600000114.4V26 I284V26-A286 HydrophobicContact CG2-CB 3.69Å; I284-A286 PolarHBondContact O-N 3.05Å
287Q81.1Confident86.3Confident123 Ų12361 Ų6158%0.57534%0.341SS*.SBendtrans-71.1165.5178.1-64.5-173.5-15.100111.5I284I284-Q287 HydrophobicContact CG2-CB 4.26Å; I284-Q287 VanDerWaalsContact O-CB 3.29Å; I284-Q287 WeakPolarHBondContact O-CB 3.34Å; I284-Q287 WeakPolarHBondContact O-CG 3.39Å; I284-Q287 PolarHBondContact O-N 3.14Å
288A83.6Confident86.2Confident35 Ų3561.3 Ų61.329%0.28934%0.342SS..EExtended strand (participates in β ladder)trans-72.9145.4168.800000110.8P21 H22 L300P21-A288 HydrophobicContact CB-CB 4.09Å; H22-A288 CarbonylContact O-C 3.51Å; H22-A288 VanDerWaalsContact O-CA 3.31Å; H22-A288 WeakPolarHBondContact O-CA 3.39Å; A288-L300 HydrophobicContact CB-CD1 3.71Å; A288-L300 HydrophobicContact CB-CG 4.31Å
289F89.8Confident86.1Confident2 Ų258.8 Ų58.81%0.00933%0.327CS..EExtended strand (participates in β ladder)trans-145.8165.3-175.274.5-87.2000111.2H22 A24 A265 I266 F275 I284 V297 Y298H22-F289 HydrophobicContact CB-CD1 4.11Å; H22-F289 HydrophobicContact CB-CD2 4.29Å; H22-F289 HydrophobicContact CB-CE1 3.62Å; H22-F289 HydrophobicContact CB-CE2 3.82Å; H22-F289 HydrophobicContact CB-CG 4.42Å; H22-F289 HydrophobicContact CB-CZ 3.45Å; H22-F289 VanDerWaalsContact CB-CZ 3.45Å; H22-F289 PolarHBondContact N-O 3.48Å; H22-F289 WeakPolarHBondContact O-CD1 3.44Å; H22-F289 PolarHBondContact O-N 3.33Å; A24-F289 HydrophobicContact CB-CD1 4.28Å; A24-F289 HydrophobicContact CB-CE1 3.9Å; A265-F289 HydrophobicContact CB-CE1 4.11Å; A265-F289 HydrophobicContact CB-CZ 3.76Å; I266-F289 HydrophobicContact CD1-CE2 4.12Å; I266-F289 HydrophobicContact CG1-CE2 4.03Å; I266-F289 HydrophobicContact CG1-CZ 4.25Å; F275-F289 HydrophobicContact CE1-CD1 4.12Å; F275-F289 HydrophobicContact CE1-CE1 4.33Å; F275-F289 HydrophobicContact CE1-CG 4.47Å; F275-F289 AromaticContact CZ-CD1 3.92Å; F275-F289 HydrophobicContact CZ-CD1 3.92Å; F275-F289 HydrophobicContact CZ-CD2 4.22Å; F275-F289 AromaticContact CZ-CE1 3.83Å; F275-F289 HydrophobicContact CZ-CE1 3.83Å; F275-F289 HydrophobicContact CZ-CE2 4.15Å; F275-F289 HydrophobicContact CZ-CG 4.13Å; F275-F289 AromaticContact CZ-CZ 3.96Å; F275-F289 HydrophobicContact CZ-CZ 3.96Å; I284-F289 HydrophobicContact CD1-CB 4.16Å; I284-F289 HydrophobicContact CG2-CB 3.83Å; I284-F289 HydrophobicContact CG2-CG 4.48Å; F289-V297 HydrophobicContact CD2-CG1 4.04Å; F289-V297 HydrophobicContact CE2-CG1 3.99Å; F289-Y298 WeakPolarHBondContact CA-O 3.29Å; F289-Y298 WeakPolarHBondContact CB-O 3.48Å
290A87.9Confident85.9Confident0 Ų057 Ų570%031%0.314CS..EExtended strand (participates in β ladder)trans-115144.6173.200000110.5Y298 L300 Y303A290-Y298 PolarHBondContact N-O 3.03Å; A290-Y298 PolarHBondContact O-N 2.88Å; A290-L300 HydrophobicContact CB-CD2 4.22Å; A290-Y303 HydrophobicContact CB-CD1 3.43Å; A290-Y303 VanDerWaalsContact CB-CD1 3.43Å; A290-Y303 HydrophobicContact CB-CD2 3.42Å; A290-Y303 VanDerWaalsContact CB-CD2 3.42Å; A290-Y303 HydrophobicContact CB-CE1 3.8Å; A290-Y303 HydrophobicContact CB-CE2 3.81Å; A290-Y303 HydrophobicContact CB-CG 3.23Å
291Q88Confident85.6Confident70 Ų7060.2 Ų60.233%0.32732%0.324SS..EExtended strand (participates in β ladder)trans-93.1132175.3170.9172.1-10.500109.8I266I266-Q291 HydrophobicContact CD1-CB 3.98Å; I266-Q291 HydrophobicContact CD1-CG 3.75Å; I266-Q291 HydrophobicContact CG1-CG 4.43Å
292G82.6Confident85.5Confident6 Ų655.6 Ų55.66%0.06230%0.299CS..  trans-87.7168.3169.300000113.2V294 G295 E296G292-V294 VanDerWaalsContact C-N 3.27Å; G292-V294 PolarHBondContact O-N 2.92Å; G292-V294 VanDerWaalsContact O-N 3.16Å; G292-G295 PolarHBondContact O-N 3.45Å; G292-G295 VanDerWaalsContact O-N 3.16Å; G292-E296 PolarHBondContact N-O 3.01Å
293E76Confident85.4Confident172 Ų17250.7 Ų50.780%0.80428%0.275SS*.THydrogen-bonded Turntrans-54.7-36.6-172.2-66.6161.5-135.300114
294V78.6Confident85.3Confident129 Ų12946.7 Ų46.778%0.78226%0.255SS*.THydrogen-bonded Turntrans-107.629.1-175-157.70000112.1G292 E296G292-V294 VanDerWaalsContact C-N 3.27Å; G292-V294 PolarHBondContact O-N 2.92Å; G292-V294 VanDerWaalsContact O-N 3.16Å; V294-E296 PolarHBondContact O-N 3.43Å
295G75.1Confident85.1Confident19 Ų1954.2 Ų54.220%0.19628%0.283CS..SBendtrans72.117.9-177.100000113.9G292G292-G295 PolarHBondContact O-N 3.45Å; G292-G295 VanDerWaalsContact O-N 3.16Å
296E86.4Confident85.2Confident67 Ų6758.4 Ų58.431%0.31330%0.296SS..  trans-61.3153.6164.2-55-178.8132.100110.1G292 V294 Y298G292-E296 PolarHBondContact N-O 3.01Å; V294-E296 PolarHBondContact O-N 3.43Å; E296-Y298 HydrophobicContact CB-CD2 4.35Å; E296-Y298 HydrophobicContact CB-CE2 3.63Å; E296-Y298 PolarHBondContact OE1-OH 3.13Å; E296-Y298 VanDerWaalsContact OE2-CE2 3.29Å; E296-Y298 WeakPolarHBondContact OE2-CE2 3.43Å; E296-Y298 VanDerWaalsContact OE2-CZ 3.31Å; E296-Y298 PolarHBondContact OE2-OH 3.18Å
297V89.4Confident85.6Confident13 Ų1359.4 Ų59.48%0.07929%0.289CS..EExtended strand (participates in β ladder)trans-127.2127.8178-800000110.2I266 F275 T276 C277 T278 I284 F289I266-V297 HydrophobicContact CD1-CG1 3.49Å; I266-V297 VanDerWaalsContact CD1-CG1 3.49Å; F275-V297 HydrophobicContact CE2-CB 4.47Å; F275-V297 HydrophobicContact CE2-CG1 3.93Å; F275-V297 HydrophobicContact CE2-CG2 4.46Å; F275-V297 HydrophobicContact CZ-CG1 4.27Å; T276-V297 WeakPolarHBondContact O-CG2 3.36Å; C277-V297 CarbonylContact C-O 3.52Å; C277-V297 WeakPolarHBondContact CA-O 3.35Å; T278-V297 PolarHBondContact N-O 3.48Å; T278-V297 PolarHBondContact OG1-N 2.94Å; T278-V297 PolarHBondContact OG1-O 3.35Å; T278-V297 VanDerWaalsContact OG1-O 3.12Å; I284-V297 HydrophobicContact CD1-CB 4.35Å; F289-V297 HydrophobicContact CD2-CG1 4.04Å; F289-V297 HydrophobicContact CE2-CG1 3.99Å
298Y90.4Very high86Confident7 Ų754.1 Ų54.13%0.02727%0.267CS..EExtended strand (participates in β ladder)trans-120.5137.8-177.6-64.6-87.1000110T279 F289 A290 E296 Y303 K306T279-Y298 WeakPolarHBondContact OG1-CD1 3.24Å; T279-Y298 VanDerWaalsContact OG1-CE1 3.31Å; T279-Y298 WeakPolarHBondContact OG1-CE1 3.16Å; F289-Y298 WeakPolarHBondContact CA-O 3.29Å; F289-Y298 WeakPolarHBondContact CB-O 3.48Å; A290-Y298 PolarHBondContact N-O 3.03Å; A290-Y298 PolarHBondContact O-N 2.88Å; E296-Y298 HydrophobicContact CB-CD2 4.35Å; E296-Y298 HydrophobicContact CB-CE2 3.63Å; E296-Y298 PolarHBondContact OE1-OH 3.13Å; E296-Y298 VanDerWaalsContact OE2-CE2 3.29Å; E296-Y298 WeakPolarHBondContact OE2-CE2 3.43Å; E296-Y298 VanDerWaalsContact OE2-CZ 3.31Å; E296-Y298 PolarHBondContact OE2-OH 3.18Å; Y298-Y303 HydrophobicContact CD2-CD2 4.34Å; Y298-Y303 HydrophobicContact CG-CD2 4.47Å; Y298-K306 HydrophobicContact CE1-CD 4.37Å; Y298-K306 PolarHBondContact OH-NZ 2.96Å
299C90.8Very high86.2Confident16 Ų1654.3 Ų54.311%0.10827%0.265CS..EExtended strand (participates in β ladder)trans-64.1150161.471.10000108.7C277 Q301 D302 Y303C277-C299 HydrophobicContact CB-CB 4.19Å; C277-C299 PolarHBondContact SG-N 2.9Å; C299-Q301 PolarHBondContact O-N 3.09Å; C299-Q301 VanDerWaalsContact O-N 3.13Å; C299-D302 PolarHBondContact O-N 2.88Å; C299-D302 PolarHBondContact SG-OD2 3.02Å; C299-Y303 PolarHBondContact O-N 2.93Å
300L86.1Confident86.3Confident37 Ų3759.3 Ų59.319%0.19429%0.289CS..Hα-helixtrans-57.7-33.3-175.4-62.1-177.2000112.6P21 A288 A290 Y303 Y304P21-L300 HydrophobicContact CB-CD1 3.94Å; P21-L300 HydrophobicContact CB-CD2 3.94Å; A288-L300 HydrophobicContact CB-CD1 3.71Å; A288-L300 HydrophobicContact CB-CG 4.31Å; A290-L300 HydrophobicContact CB-CD2 4.22Å; L300-Y303 PolarHBondContact O-N 3.39Å; L300-Y304 HydrophobicContact CB-CD2 4.3Å; L300-Y304 HydrophobicContact CB-CE2 3.95Å; L300-Y304 VanDerWaalsContact O-CB 3.31Å; L300-Y304 WeakPolarHBondContact O-CB 3.21Å; L300-Y304 WeakPolarHBondContact O-CD2 3.39Å; L300-Y304 PolarHBondContact O-N 2.86Å
301Q86.6Confident86.6Confident127 Ų12759.3 Ų59.359%0.59329%0.289SS*.Hα-helixtrans-64.1-45.5179.1-168.8176.83400112.8C299 R305C299-Q301 PolarHBondContact O-N 3.09Å; C299-Q301 VanDerWaalsContact O-N 3.13Å; Q301-R305 WeakPolarHBondContact O-CB 3.05Å; Q301-R305 WeakPolarHBondContact O-CG 3.16Å; Q301-R305 PolarHBondContact O-N 3.38Å
302D90.3Very high86.8Confident19 Ų1958.6 Ų58.610%0.10229%0.292CS..Hα-helixtrans-73.4-34.7177.8-73-26.9000111.9C277 T279 C280 C299 R305 K306C277-D302 PolarHBondContact SG-OD2 3.38Å; T279-D302 WeakPolarHBondContact CB-OD2 3.31Å; T279-D302 HydrophobicContact CG2-CB 4.12Å; C280-D302 VanDerWaalsContact CB-OD2 3.25Å; C280-D302 WeakPolarHBondContact CB-OD2 3.39Å; C280-D302 PolarHBondContact N-OD2 3.26Å; C280-D302 PolarHBondContact SG-OD2 3.2Å; C299-D302 PolarHBondContact O-N 2.88Å; C299-D302 PolarHBondContact SG-OD2 3.02Å; D302-R305 PolarHBondContact O-N 2.82Å; D302-K306 WeakPolarHBondContact O-CB 3.31Å; D302-K306 PolarHBondContact O-N 3.12Å; D302-K306 VanDerWaalsContact O-N 3.08Å
303Y89.4Confident87.2Confident26 Ų2661.3 Ų61.310%0.10231%0.314CS..Hα-helixtrans-61.8-50.8174-174-108.1000111.2L18 S19 A290 Y298 C299 L300 R305 K306 Y307L18-Y303 HydrophobicContact CB-CE1 4.02Å; L18-Y303 HydrophobicContact CD2-CE1 4.48Å; S19-Y303 PolarHBondContact N-OH 3.17Å; S19-Y303 PolarHBondContact OG-OH 2.95Å; S19-Y303 VanDerWaalsContact OG-OH 3.09Å; A290-Y303 HydrophobicContact CB-CD1 3.43Å; A290-Y303 VanDerWaalsContact CB-CD1 3.43Å; A290-Y303 HydrophobicContact CB-CD2 3.42Å; A290-Y303 VanDerWaalsContact CB-CD2 3.42Å; A290-Y303 HydrophobicContact CB-CE1 3.8Å; A290-Y303 HydrophobicContact CB-CE2 3.81Å; A290-Y303 HydrophobicContact CB-CG 3.23Å; Y298-Y303 HydrophobicContact CD2-CD2 4.34Å; Y298-Y303 HydrophobicContact CG-CD2 4.47Å; C299-Y303 PolarHBondContact O-N 2.93Å; L300-Y303 PolarHBondContact O-N 3.39Å; Y303-R305 VanDerWaalsContact C-N 3.34Å; Y303-R305 PolarHBondContact O-N 2.98Å; Y303-K306 PolarHBondContact O-N 2.8Å; Y303-K306 VanDerWaalsContact O-N 3.07Å; Y303-Y307 AromaticContact CD2-CD2 3.4Å; Y303-Y307 HydrophobicContact CD2-CD2 3.4Å; Y303-Y307 AromaticContact CD2-CE2 3.64Å; Y303-Y307 HydrophobicContact CD2-CE2 3.64Å; Y303-Y307 AromaticContact CE2-CD2 3.35Å; Y303-Y307 HydrophobicContact CE2-CD2 3.35Å; Y303-Y307 AromaticContact CE2-CE2 3.56Å; Y303-Y307 HydrophobicContact CE2-CE2 3.56Å; Y303-Y307 HydrophobicContact CE2-CG 4.19Å; Y303-Y307 HydrophobicContact CG-CD2 4.09Å; Y303-Y307 WeakPolarHBondContact O-CD2 3.47Å; Y303-Y307 PolarHBondContact O-N 3Å
304Y87.6Confident88.1Confident36 Ų3655.3 Ų55.314%0.14129%0.29CS..Hα-helixtrans-63.5-37.9176-62-27.5000112L18 L300 K306 A308 I319L18-Y304 HydrophobicContact CB-CD1 4.48Å; L18-Y304 HydrophobicContact CB-CE1 4.11Å; L18-Y304 HydrophobicContact CD1-CD1 3.62Å; L18-Y304 HydrophobicContact CD1-CE1 3.91Å; L300-Y304 HydrophobicContact CB-CD2 4.3Å; L300-Y304 HydrophobicContact CB-CE2 3.95Å; L300-Y304 VanDerWaalsContact O-CB 3.31Å; L300-Y304 WeakPolarHBondContact O-CB 3.21Å; L300-Y304 WeakPolarHBondContact O-CD2 3.39Å; L300-Y304 PolarHBondContact O-N 2.86Å; Y304-K306 PolarHBondContact O-N 2.98Å; Y304-A308 WeakPolarHBondContact O-CB 3.37Å; Y304-A308 PolarHBondContact O-N 3.4Å; Y304-I319 HydrophobicContact CD2-CG2 3.4Å; Y304-I319 HydrophobicContact CE2-CG2 3.92Å; Y304-I319 HydrophobicContact CG-CG2 4.02Å
305R87Confident88.8Confident162 Ų16254.4 Ų54.461%0.61128%0.281SS*.Hα-helixtrans-59.2-29.1171.9-79.7170.8176.4-84.52.9114Q301 D302 Y303Q301-R305 WeakPolarHBondContact O-CB 3.05Å; Q301-R305 WeakPolarHBondContact O-CG 3.16Å; Q301-R305 PolarHBondContact O-N 3.38Å; D302-R305 PolarHBondContact O-N 2.82Å; Y303-R305 VanDerWaalsContact C-N 3.34Å; Y303-R305 PolarHBondContact O-N 2.98Å
306K85.6Confident89.6Confident107 Ų10759.4 Ų59.447%0.46530%0.299SS..Hα-helixtrans-93.9-30.5-176.6-172.8178175.3-154.70113.3Y298 D302 Y303 Y304Y298-K306 HydrophobicContact CE1-CD 4.37Å; Y298-K306 PolarHBondContact OH-NZ 2.96Å; D302-K306 WeakPolarHBondContact O-CB 3.31Å; D302-K306 PolarHBondContact O-N 3.12Å; D302-K306 VanDerWaalsContact O-N 3.08Å; Y303-K306 PolarHBondContact O-N 2.8Å; Y303-K306 VanDerWaalsContact O-N 3.07Å; Y304-K306 PolarHBondContact O-N 2.98Å
307Y85.3Confident89.9Confident75 Ų7558.8 Ų58.829%0.29430%0.298SS..Hα-helixtrans-127.4-10.7-168.2-62.1-75.4000115.9L18 Y303L18-Y307 WeakPolarHBondContact CD2-O 3.3Å; Y303-Y307 AromaticContact CD2-CD2 3.4Å; Y303-Y307 HydrophobicContact CD2-CD2 3.4Å; Y303-Y307 AromaticContact CD2-CE2 3.64Å; Y303-Y307 HydrophobicContact CD2-CE2 3.64Å; Y303-Y307 AromaticContact CE2-CD2 3.35Å; Y303-Y307 HydrophobicContact CE2-CD2 3.35Å; Y303-Y307 AromaticContact CE2-CE2 3.56Å; Y303-Y307 HydrophobicContact CE2-CE2 3.56Å; Y303-Y307 HydrophobicContact CE2-CG 4.19Å; Y303-Y307 HydrophobicContact CG-CD2 4.09Å; Y303-Y307 WeakPolarHBondContact O-CD2 3.47Å; Y303-Y307 PolarHBondContact O-N 3Å
308A88.9Confident89.9Confident12 Ų1258.2 Ų58.210%0.09929%0.294CS..SBendtrans-70.4144.1179.100000112.1L18 Y304 L317 I319L18-A308 HydrophobicContact CD1-CB 3.95Å; Y304-A308 WeakPolarHBondContact O-CB 3.37Å; Y304-A308 PolarHBondContact O-N 3.4Å; A308-L317 HydrophobicContact CB-CB 4.25Å; A308-I319 HydrophobicContact CB-CG1 4.12Å
309P89.1Confident89.8Confident38 Ų3860.4 Ų60.425%0.24731%0.306CS..PPolyproline II helixtrans-70.2148.9177.126.7-30.6000111.6I318 T329P309-I318 HydrophobicContact CG-CB 4.36Å; P309-I318 HydrophobicContact CG-CD1 4.36Å; P309-I318 PolarHBondContact O-N 3.32Å; P309-T329 HydrophobicContact CG-CG2 3.67Å
310M92Very high89.5Confident108 Ų10861.5 Ų61.553%0.53231%0.313SS..BIsolated β-bridgetrans-91.3132.8178-176.1176.8-76.900111S312 D315 L317M310-S312 PolarHBondContact O-N 3.47Å; M310-D315 HydrophobicContact SD-CB 4.42Å; M310-L317 HydrophobicContact CB-CD2 4.5Å
311C93.5Very high89.4Confident0 Ų064.8 Ų64.80%033%0.326CS..PPolyproline II helixtrans-75.3117.8177.51780000111.6A313 C314 D315 Q316 I318 S336 H338 C341C311-A313 PolarHBondContact O-N 2.88Å; C311-C314 PolarHBondContact O-N 2.86Å; C311-C314 VanDerWaalsContact SG-SG 3.65Å; C311-D315 WeakPolarHBondContact O-CA 3.43Å; C311-D315 PolarHBondContact O-N 3.06Å; C311-Q316 WeakPolarHBondContact CB-O 3.47Å; C311-Q316 PolarHBondContact N-O 3.49Å; C311-I318 HydrophobicContact CB-CD1 4.07Å; C311-I318 HydrophobicContact CB-CG1 3.84Å; C311-S336 WeakPolarHBondContact CA-O 3.38Å; C311-H338 WeakPolarHBondContact CB-CE1 3.24Å; C311-H338 WeakPolarHBondContact CB-ND1 3.39Å; C311-H338 PolarHBondContact SG-N 3.4Å; C311-H338 PolarHBondContact SG-ND1 3.05Å; C311-C341 VanDerWaalsContact SG-CB 3.56Å
312S92.1Very high89.2Confident55 Ų5568.5 Ų68.539%0.38534%0.343SS..THydrogen-bonded Turntrans-7422.8-177.6-57.70000114.9M310 S336M310-S312 PolarHBondContact O-N 3.47Å; S312-S336 PolarHBondContact N-O 2.86Å
313A91.5Very high88.9Confident62 Ų6274.2 Ų74.251%0.51237%0.374SS..THydrogen-bonded Turntrans-134.2-9.6177.700000114C311 Y337 C341C311-A313 PolarHBondContact O-N 2.88Å; A313-Y337 HydrophobicContact CB-CD1 3.86Å; A313-Y337 HydrophobicContact CB-CE1 3.95Å; A313-C341 HydrophobicContact CB-CB 4.14Å
314C93.6Very high88.4Confident46 Ų4674.8 Ų74.831%0.31139%0.387SS..THydrogen-bonded Turntrans-147.22.1177.467.40000113.8C311 Q316 H338C311-C314 PolarHBondContact O-N 2.86Å; C311-C314 VanDerWaalsContact SG-SG 3.65Å; C314-Q316 PolarHBondContact O-N 2.92Å; C314-Q316 PolarHBondContact O-NE2 3.45Å; C314-H338 PolarHBondContact SG-CE1 2.92Å; C314-H338 PolarHBondContact SG-ND1 3.01Å; C314-H338 VanDerWaalsContact SG-ND1 3.4Å
315D93.5Very high88.3Confident111 Ų11175.2 Ų75.259%0.59439%0.394SS*.  trans55.717.7178.9-50.4-45000114.9M310 C311M310-D315 HydrophobicContact SD-CB 4.42Å; C311-D315 WeakPolarHBondContact O-CA 3.43Å; C311-D315 PolarHBondContact O-N 3.06Å
316Q93.2Very high88.3Confident123 Ų12367.9 Ų67.958%0.57537%0.366SS*.  trans-96.4152.1173.2-58.1-48.2-68.500111.4C311 C314 H338C311-Q316 WeakPolarHBondContact CB-O 3.47Å; C311-Q316 PolarHBondContact N-O 3.49Å; C314-Q316 PolarHBondContact O-N 2.92Å; C314-Q316 PolarHBondContact O-NE2 3.45Å; Q316-H338 PolarHBondContact O-CE1 2.84Å
317L91.6Very high88.3Confident55 Ų5565.2 Ų65.229%0.28836%0.361SS..BIsolated β-bridgetrans-66.5143.7174.4-59.1177.8000111.3A308 M310 I319 H338A308-L317 HydrophobicContact CB-CB 4.25Å; M310-L317 HydrophobicContact CB-CD2 4.5Å; L317-I319 HydrophobicContact CB-CD1 3.93Å; L317-I319 HydrophobicContact CB-CG1 3.9Å; L317-I319 HydrophobicContact CD1-CD1 4.34Å; L317-H338 PolarHBondContact O-NE2 2.99Å
318I90.4Very high88.3Confident0 Ų063.9 Ų63.90%036%0.356CS..  trans-92.9102.6176.7-49.9166.5000107.5I16 P309 C311 D326 T329 Y337I16-I318 HydrophobicContact CD1-CB 4.48Å; I16-I318 HydrophobicContact CD1-CG2 3.73Å; P309-I318 HydrophobicContact CG-CB 4.36Å; P309-I318 HydrophobicContact CG-CD1 4.36Å; P309-I318 PolarHBondContact O-N 3.32Å; C311-I318 HydrophobicContact CB-CD1 4.07Å; C311-I318 HydrophobicContact CB-CG1 3.84Å; I318-D326 HydrophobicContact CG2-CB 4.2Å; I318-T329 HydrophobicContact CB-CG2 4.15Å; I318-T329 HydrophobicContact CD1-CG2 3.84Å; I318-T329 HydrophobicContact CG2-CG2 3.84Å; I318-Y337 VanDerWaalsContact CD1-C 3.44Å
319I88.1Confident88.3Confident53 Ų5363.6 Ų63.627%0.27235%0.353SS..  trans-124.6122.8-171.2-59.6-178.7000109Y304 A308 L317 K321Y304-I319 HydrophobicContact CD2-CG2 3.4Å; Y304-I319 HydrophobicContact CE2-CG2 3.92Å; Y304-I319 HydrophobicContact CG-CG2 4.02Å; A308-I319 HydrophobicContact CB-CG1 4.12Å; L317-I319 HydrophobicContact CB-CD1 3.93Å; L317-I319 HydrophobicContact CB-CG1 3.9Å; L317-I319 HydrophobicContact CD1-CD1 4.34Å; I319-K321 PolarHBondContact O-N 2.84Å
320P84.9Confident88.4Confident40 Ų4061.8 Ų61.826%0.2634%0.342SS..  trans-57.8133.8176.4-22.431.8000112.1I16 D326I16-P320 HydrophobicContact CB-CG 3.99Å; I16-P320 HydrophobicContact CD1-CG 3.98Å; I16-P320 HydrophobicContact CG1-CG 4.37Å; I16-P320 HydrophobicContact CG2-CG 4.08Å; P320-D326 WeakPolarHBondContact CA-O 3.44Å
321K84.1Confident88.3Confident106 Ų10660.6 Ų60.646%0.46134%0.335SS..  trans-104.5156.3173.6-53-169.9-175.486.90110.7I319 D323 G324 T325 D326I319-K321 PolarHBondContact O-N 2.84Å; K321-D323 PolarHBondContact O-N 2.93Å; K321-G324 PolarHBondContact O-N 3.1Å; K321-T325 HydrophobicContact CD-CG2 4.35Å; K321-T325 PolarHBondContact N-O 3Å; K321-D326 IonicContact NZ-OD2 2.6Å; K321-D326 PolarHBondContact NZ-OD2 3.25Å
322E81.1Confident87.9Confident205 Ų20560.6 Ų60.696%0.95834%0.335SS*.THydrogen-bonded Turntrans-61.7-28.5177.7-61.3-171.1153.400112G324E322-G324 PolarHBondContact O-N 2.84Å
323D84.4Confident87.6Confident139 Ų13961.7 Ų61.774%0.74334%0.336SS*.THydrogen-bonded Turntrans-71.310.8173.2-45.3-76.7000114.4K321 T325K321-D323 PolarHBondContact O-N 2.93Å; D323-T325 PolarHBondContact O-N 3.35Å
324G79.8Confident87.2Confident37 Ų3762.9 Ų62.938%0.38135%0.354SS..SBendtrans71.6-9.5-176.900000115.4K321 E322 S327K321-G324 PolarHBondContact O-N 3.1Å; E322-G324 PolarHBondContact O-N 2.84Å; G324-S327 WeakPolarHBondContact O-CB 3.39Å; G324-S327 PolarHBondContact O-N 3.29Å; G324-S327 PolarHBondContact O-OG 3.31Å
325T85.6Confident87Confident45 Ų4566 Ų6628%0.27636%0.359SS..THydrogen-bonded Turntrans-61.3134.8175-60.60000110.3K321 D323 S327K321-T325 HydrophobicContact CD-CG2 4.35Å; K321-T325 PolarHBondContact N-O 3Å; D323-T325 PolarHBondContact O-N 3.35Å; T325-S327 PolarHBondContact O-N 3.09Å
326D86.8Confident86.9Confident8 Ų861.6 Ų61.64%0.04334%0.337CS..THydrogen-bonded Turntrans58.629.1-177.5-51.1-46.3000114.1I16 I318 P320 K321 Y328 H338I16-D326 WeakPolarHBondContact CD1-O 3.43Å; I318-D326 HydrophobicContact CG2-CB 4.2Å; P320-D326 WeakPolarHBondContact CA-O 3.44Å; K321-D326 IonicContact NZ-OD2 2.6Å; K321-D326 PolarHBondContact NZ-OD2 3.25Å; D326-Y328 PolarHBondContact O-N 3.34Å; D326-H338 WeakPolarHBondContact OD1-CB 3.4Å; D326-H338 IonicContact OD1-CD2 3.81Å; D326-H338 PolarHBondContact OD1-CD2 3.25Å; D326-H338 IonicContact OD1-CG 2.66Å; D326-H338 IonicContact OD2-CD2 3.59Å
327S84Confident86.8Confident51 Ų5156.2 Ų56.236%0.35731%0.312SS..  trans-69.3-15.1175.750.30000114.5G324 T325G324-S327 WeakPolarHBondContact O-CB 3.39Å; G324-S327 PolarHBondContact O-N 3.29Å; G324-S327 PolarHBondContact O-OG 3.31Å; T325-S327 PolarHBondContact O-N 3.09Å
328Y86.4Confident86.8Confident47 Ų4754.4 Ų54.418%0.18430%0.302CS..EExtended strand (participates in β ladder)trans-137.7150.617469-79.6000110.6V14 D326 V330 E339V14-Y328 CarbonylContact O-C 3.54Å; V14-Y328 WeakPolarHBondContact O-CA 3.43Å; V14-Y328 WeakPolarHBondContact O-CB 3.41Å; D326-Y328 PolarHBondContact O-N 3.34Å; Y328-V330 HydrophobicContact CD2-CG2 4.23Å; Y328-V330 HydrophobicContact CE2-CG2 3.73Å; Y328-E339 HydrophobicContact CE1-CB 4.3Å; Y328-E339 HydrophobicContact CE1-CG 4.3Å; Y328-E339 VanDerWaalsContact CE1-OE1 3.28Å; Y328-E339 WeakPolarHBondContact CE1-OE1 3.44Å; Y328-E339 VanDerWaalsContact OH-CD 3.24Å; Y328-E339 WeakPolarHBondContact OH-CG 3.49Å; Y328-E339 PolarHBondContact OH-OE1 2.73Å
329T89.4Confident86.8Confident6 Ų657 Ų574%0.03731%0.314CS..EExtended strand (participates in β ladder)trans-89.2143.3168.143.30000109.9S13 V14 I16 P309 I318S13-T329 WeakPolarHBondContact CA-O 3.21Å; V14-T329 PolarHBondContact N-O 3.4Å; V14-T329 PolarHBondContact O-N 2.96Å; V14-T329 PolarHBondContact O-OG1 3.19Å; V14-T329 VanDerWaalsContact O-OG1 3.1Å; I16-T329 HydrophobicContact CD1-CG2 3.88Å; I16-T329 HydrophobicContact CG1-CG2 4.01Å; P309-T329 HydrophobicContact CG-CG2 3.67Å; I318-T329 HydrophobicContact CB-CG2 4.15Å; I318-T329 HydrophobicContact CD1-CG2 3.84Å; I318-T329 HydrophobicContact CG2-CG2 3.84Å
330V90.2Very high87Confident1 Ų158.2 Ų58.21%0.00632%0.321CS..EExtended strand (participates in β ladder)trans-98.2123163.1-172.90000108.5V11 Y328 S336 Y337 Y342 P353V11-V330 HydrophobicContact CG1-CG1 3.81Å; Y328-V330 HydrophobicContact CD2-CG2 4.23Å; Y328-V330 HydrophobicContact CE2-CG2 3.73Å; V330-S336 CarbonylContact O-C 3.58Å; V330-S336 WeakPolarHBondContact O-CA 3.26Å; V330-Y337 PolarHBondContact N-O 3.06Å; V330-Y337 PolarHBondContact O-N 3.48Å; V330-Y342 HydrophobicContact CB-CD2 4.04Å; V330-Y342 HydrophobicContact CB-CG 4.05Å; V330-Y342 HydrophobicContact CG1-CD1 3.91Å; V330-Y342 HydrophobicContact CG1-CD2 3.5Å; V330-Y342 VanDerWaalsContact CG1-CD2 3.5Å; V330-Y342 HydrophobicContact CG1-CE1 3.92Å; V330-Y342 HydrophobicContact CG1-CE2 3.51Å; V330-Y342 HydrophobicContact CG1-CG 3.72Å; V330-Y342 HydrophobicContact CG2-CD1 4.42Å; V330-Y342 HydrophobicContact CG2-CG 4.26Å; V330-P353 HydrophobicContact CG1-CB 4.34Å; V330-P353 HydrophobicContact CG1-CG 4.1Å; V330-P353 HydrophobicContact CG2-CG 3.99Å
331E89.1Confident87.4Confident82 Ų8258.1 Ų58.138%0.38332%0.321SS..EExtended strand (participates in β ladder)trans-109.1123.4178.2-61.7-165.3152.500110.6V11 S12 V14 R335V11-E331 VanDerWaalsContact CA-O 3.3Å; V11-E331 WeakPolarHBondContact CA-O 3.17Å; V11-E331 WeakPolarHBondContact CG1-O 3.3Å; S12-E331 PolarHBondContact N-O 3.47Å; S12-E331 PolarHBondContact O-N 3.43Å; V14-E331 HydrophobicContact CG2-CG 4.26Å; E331-R335 WeakPolarHBondContact CA-O 3.44Å
332C87Confident87.7Confident1 Ų153.2 Ų53.21%0.00730%0.299CS..EExtended strand (participates in β ladder)trans-144.3136.2176.6-175.30000109.5V11 G334 R335 Y337 Y342 M367V11-C332 HydrophobicContact CG1-CB 4.33Å; V11-C332 HydrophobicContact CG2-CB 4.29Å; C332-G334 PolarHBondContact O-N 2.88Å; C332-G334 VanDerWaalsContact O-N 3.12Å; C332-R335 PolarHBondContact N-O 2.93Å; C332-R335 WeakPolarHBondContact O-CB 3.39Å; C332-R335 PolarHBondContact O-N 3.02Å; C332-Y337 HydrophobicContact CB-CE2 4.42Å; C332-Y342 HydrophobicContact CB-CE2 4.06Å; C332-M367 HydrophobicContact CB-SD 3.6Å; C332-M367 VanDerWaalsContact CB-SD 3.6Å
333L84.3Confident88.3Confident78 Ų7847.8 Ų47.841%0.40827%0.27SS..THydrogen-bonded Turntrans53.327.7-177-51.2178.9000114.9R335 P362L333-R335 VanDerWaalsContact C-N 3.3Å; L333-R335 PolarHBondContact O-N 3.06Å; L333-P362 HydrophobicContact CD1-CB 4.15Å; L333-P362 HydrophobicContact CD2-CB 3.93Å; L333-P362 HydrophobicContact CD2-CG 4.03Å; L333-P362 HydrophobicContact CG-CB 4.4Å; L333-P362 HydrophobicContact CG-CG 4.46Å
334G83.7Confident88.6Confident86 Ų8641.3 Ų41.389%0.88724%0.236SC*.THydrogen-bonded Turntrans7318.1-174.900000114.6C332C332-G334 PolarHBondContact O-N 2.88Å; C332-G334 VanDerWaalsContact O-N 3.12Å
335R88.5Confident89Confident111 Ų11142.5 Ų42.542%0.41925%0.248SC..EExtended strand (participates in β ladder)trans-115.4138.2173.5-66.5176-177.9157.7-0.2110.2E331 C332 L333 Y337 G365E331-R335 WeakPolarHBondContact CA-O 3.44Å; C332-R335 PolarHBondContact N-O 2.93Å; C332-R335 WeakPolarHBondContact O-CB 3.39Å; C332-R335 PolarHBondContact O-N 3.02Å; L333-R335 VanDerWaalsContact C-N 3.3Å; L333-R335 PolarHBondContact O-N 3.06Å; R335-Y337 HydrophobicContact CB-CE2 3.63Å; R335-Y337 VanDerWaalsContact CD-OH 3.24Å; R335-Y337 WeakPolarHBondContact CD-OH 3.1Å; R335-Y337 WeakPolarHBondContact O-CE2 3.48Å; R335-G365 PolarHBondContact NH1-O 3.2Å
336S91.6Very high89.2Confident20 Ų2044 Ų4414%0.1426%0.255CS..EExtended strand (participates in β ladder)trans-91.4147.7173.9-45.40000111.3C311 S312 V330C311-S336 WeakPolarHBondContact CA-O 3.38Å; S312-S336 PolarHBondContact N-O 2.86Å; V330-S336 CarbonylContact O-C 3.58Å; V330-S336 WeakPolarHBondContact O-CA 3.26Å
337Y91.6Very high89.4Confident10 Ų1047.1 Ų47.14%0.03928%0.276CS..EExtended strand (participates in β ladder)trans-139.6145.2178.4-60.1-86.9000111.5A313 I318 V330 C332 R335 Y342 M367A313-Y337 HydrophobicContact CB-CD1 3.86Å; A313-Y337 HydrophobicContact CB-CE1 3.95Å; I318-Y337 VanDerWaalsContact CD1-C 3.44Å; V330-Y337 PolarHBondContact N-O 3.06Å; V330-Y337 PolarHBondContact O-N 3.48Å; C332-Y337 HydrophobicContact CB-CE2 4.42Å; R335-Y337 HydrophobicContact CB-CE2 3.63Å; R335-Y337 VanDerWaalsContact CD-OH 3.24Å; R335-Y337 WeakPolarHBondContact CD-OH 3.1Å; R335-Y337 WeakPolarHBondContact O-CE2 3.48Å; Y337-Y342 HydrophobicContact CD2-CD2 4.11Å; Y337-Y342 HydrophobicContact CG-CD2 4.27Å; Y337-M367 HydrophobicContact CD1-CE 4.21Å; Y337-M367 HydrophobicContact CD2-CE 3.95Å; Y337-M367 HydrophobicContact CE1-CE 3.8Å; Y337-M367 HydrophobicContact CE2-CE 3.51Å; Y337-M367 HydrophobicContact CE2-SD 3.9Å; Y337-M367 HydrophobicContact CG-CE 4.28Å; Y337-M367 VanDerWaalsContact CZ-CE 3.43Å
338H92.7Very high89.7Confident16 Ų1646.4 Ų46.47%0.07428%0.277CS..  trans-60.3147.9160.7-5799.4000109.7C311 C314 Q316 L317 D326 N340 C341 Y342C311-H338 WeakPolarHBondContact CB-CE1 3.24Å; C311-H338 WeakPolarHBondContact CB-ND1 3.39Å; C311-H338 PolarHBondContact SG-N 3.4Å; C311-H338 PolarHBondContact SG-ND1 3.05Å; C314-H338 PolarHBondContact SG-CE1 2.92Å; C314-H338 PolarHBondContact SG-ND1 3.01Å; C314-H338 VanDerWaalsContact SG-ND1 3.4Å; Q316-H338 PolarHBondContact O-CE1 2.84Å; L317-H338 PolarHBondContact O-NE2 2.99Å; D326-H338 WeakPolarHBondContact OD1-CB 3.4Å; D326-H338 IonicContact OD1-CD2 3.81Å; D326-H338 PolarHBondContact OD1-CD2 3.25Å; D326-H338 IonicContact OD1-CG 2.66Å; D326-H338 IonicContact OD2-CD2 3.59Å; H338-N340 PolarHBondContact O-N 2.6Å; H338-C341 HydrophobicContact CB-CB 3.95Å; H338-C341 PolarHBondContact O-N 2.98Å; H338-Y342 PolarHBondContact O-N 3.33Å
339E90.2Very high89.9Confident55 Ų5547.7 Ų47.726%0.25729%0.286SS..THydrogen-bonded Turntrans-48.9-45173168.3173.2-128.600112Y328 C341 Q350Y328-E339 HydrophobicContact CE1-CB 4.3Å; Y328-E339 HydrophobicContact CE1-CG 4.3Å; Y328-E339 VanDerWaalsContact CE1-OE1 3.28Å; Y328-E339 WeakPolarHBondContact CE1-OE1 3.44Å; Y328-E339 VanDerWaalsContact OH-CD 3.24Å; Y328-E339 WeakPolarHBondContact OH-CG 3.49Å; Y328-E339 PolarHBondContact OH-OE1 2.73Å; E339-C341 PolarHBondContact O-N 3.06Å; E339-Q350 PolarHBondContact O-NE2 2.94Å
340N91.3Very high90Very high79 Ų7950.8 Ų50.842%0.42230%0.3SS..THydrogen-bonded Turntrans-78.6-13.1-179.9-82-51.9000114.6H338 R343H338-N340 PolarHBondContact O-N 2.6Å; N340-R343 PolarHBondContact O-NE 3.29Å; N340-R343 PolarHBondContact O-NH2 3.01Å
341C92.7Very high89.9Confident38 Ų3851 Ų5126%0.25730%0.302SS..THydrogen-bonded Turntrans-97.8-12.9177.1-69.10000113.1C311 A313 H338 E339 R343C311-C341 VanDerWaalsContact SG-CB 3.56Å; A313-C341 HydrophobicContact CB-CB 4.14Å; H338-C341 HydrophobicContact CB-CB 3.95Å; H338-C341 PolarHBondContact O-N 2.98Å; E339-C341 PolarHBondContact O-N 3.06Å; C341-R343 VanDerWaalsContact C-N 3.33Å; C341-R343 PolarHBondContact O-N 3.49Å
342Y92Very high89.7Confident2 Ų248.4 Ų48.41%0.00829%0.292CS..  trans-74.982.2178.1-174.3-109.3000110.9V11 V330 C332 Y337 H338 L351 S352 P353 C360 M367V11-Y342 HydrophobicContact CG1-CE2 4.47Å; V11-Y342 WeakPolarHBondContact CG1-OH 3.41Å; V11-Y342 WeakPolarHBondContact CG2-OH 3.29Å; V330-Y342 HydrophobicContact CB-CD2 4.04Å; V330-Y342 HydrophobicContact CB-CG 4.05Å; V330-Y342 HydrophobicContact CG1-CD1 3.91Å; V330-Y342 HydrophobicContact CG1-CD2 3.5Å; V330-Y342 VanDerWaalsContact CG1-CD2 3.5Å; V330-Y342 HydrophobicContact CG1-CE1 3.92Å; V330-Y342 HydrophobicContact CG1-CE2 3.51Å; V330-Y342 HydrophobicContact CG1-CG 3.72Å; V330-Y342 HydrophobicContact CG2-CD1 4.42Å; V330-Y342 HydrophobicContact CG2-CG 4.26Å; C332-Y342 HydrophobicContact CB-CE2 4.06Å; Y337-Y342 HydrophobicContact CD2-CD2 4.11Å; Y337-Y342 HydrophobicContact CG-CD2 4.27Å; H338-Y342 PolarHBondContact O-N 3.33Å; Y342-L351 HydrophobicContact CD1-CB 3.7Å; Y342-L351 WeakPolarHBondContact CD1-O 3.21Å; Y342-L351 HydrophobicContact CE1-CB 3.39Å; Y342-L351 WeakPolarHBondContact CE1-O 3.04Å; Y342-L351 PolarHBondContact O-N 3.45Å; Y342-S352 WeakPolarHBondContact CE1-O 3.43Å; Y342-S352 PolarHBondContact OH-O 3.35Å; Y342-P353 HydrophobicContact CE1-CG 4.39Å; Y342-C360 WeakPolarHBondContact OH-CB 3.38Å; Y342-M367 HydrophobicContact CD2-CE 3.59Å; Y342-M367 HydrophobicContact CD2-SD 4.17Å; Y342-M367 HydrophobicContact CE2-CE 3.7Å; Y342-M367 HydrophobicContact CE2-SD 3.64Å
343R92.7Very high89.4Confident91 Ų9149.8 Ų49.834%0.34330%0.301SS..BIsolated β-bridgetrans-130.5156.9-169.5-67.8-179.6179-73.4-19112.8N340 C341 G345 G348 I349 Q350N340-R343 PolarHBondContact O-NE 3.29Å; N340-R343 PolarHBondContact O-NH2 3.01Å; C341-R343 VanDerWaalsContact C-N 3.33Å; C341-R343 PolarHBondContact O-N 3.49Å; R343-G345 PolarHBondContact O-N 3.45Å; R343-G348 WeakPolarHBondContact CD-O 3.28Å; R343-G348 PolarHBondContact NH1-O 2.81Å; R343-I349 CarbonylContact C-O 3.51Å; R343-I349 VanDerWaalsContact CA-O 3.26Å; R343-I349 WeakPolarHBondContact CA-O 3.38Å; R343-Q350 VanDerWaalsContact NH2-OE1 3.16Å
344C91.2Very high89.1Confident4 Ų452.2 Ų52.23%0.02731%0.311CS..  trans-65126.4171.6-179.80000110.5D346 C347 G348 I349 L351 M367 C369C344-D346 VanDerWaalsContact C-N 3.25Å; C344-D346 PolarHBondContact O-N 3.5Å; C344-C347 PolarHBondContact SG-SG 2.76Å; C344-G348 WeakPolarHBondContact O-CA 3.43Å; C344-G348 PolarHBondContact O-N 3.27Å; C344-I349 HydrophobicContact CB-CG2 3.79Å; C344-I349 PolarHBondContact N-O 2.91Å; C344-L351 HydrophobicContact CB-CD2 4.14Å; C344-L351 HydrophobicContact CB-CG 4.46Å; C344-M367 WeakPolarHBondContact CA-O 3.23Å; C344-C369 HydrophobicContact CB-CB 4.21Å; C344-C369 PolarHBondContact SG-N 3.12Å
345G88.3Confident88.4Confident62 Ų6254.3 Ų54.364%0.63931%0.308SS*.THydrogen-bonded Turntrans-62.9-26.4-179.100000114.9R343 M367R343-G345 PolarHBondContact O-N 3.45Å; G345-M367 PolarHBondContact N-O 2.92Å
346D89.3Confident87.8Confident77 Ų7751.8 Ų51.841%0.41230%0.303SS..THydrogen-bonded Turntrans-95.3-31.3-176-62.8-17.8000113.4C344 L368 C372C344-D346 VanDerWaalsContact C-N 3.25Å; C344-D346 PolarHBondContact O-N 3.5Å; D346-L368 HydrophobicContact CB-CD2 4.32Å; D346-L368 VanDerWaalsContact OD2-CD2 3.23Å; D346-L368 WeakPolarHBondContact OD2-CD2 3.26Å; D346-C372 HydrophobicContact CB-CB 4.2Å
347C91.4Very high86.8Confident72 Ų7258 Ų5849%0.48633%0.33SS..THydrogen-bonded Turntrans-128.90.6-173.273.30000115.8C344 I349C344-C347 PolarHBondContact SG-SG 2.76Å; C347-I349 PolarHBondContact O-N 3.41Å; C347-I349 VanDerWaalsContact SG-CG2 3.59Å
348G89.4Confident86.1Confident37 Ų3762.5 Ų62.538%0.38135%0.351SS..  trans69.7-2.5173.400000116.6R343 C344R343-G348 WeakPolarHBondContact CD-O 3.28Å; R343-G348 PolarHBondContact NH1-O 2.81Å; C344-G348 WeakPolarHBondContact O-CA 3.43Å; C344-G348 PolarHBondContact O-N 3.27Å
349I90.9Very high85.5Confident73 Ų7361.8 Ų61.837%0.37435%0.348SS..PPolyproline II helixtrans-59.8139.9174.7-160.3169.5000110.1R343 C344 C347 L351 C369R343-I349 CarbonylContact C-O 3.51Å; R343-I349 VanDerWaalsContact CA-O 3.26Å; R343-I349 WeakPolarHBondContact CA-O 3.38Å; C344-I349 HydrophobicContact CB-CG2 3.79Å; C344-I349 PolarHBondContact N-O 2.91Å; C347-I349 PolarHBondContact O-N 3.41Å; C347-I349 VanDerWaalsContact SG-CG2 3.59Å; I349-L351 PolarHBondContact O-N 2.86Å; I349-C369 HydrophobicContact CG2-CB 3.83Å
350Q91Very high85.3Confident71 Ų7160.1 Ų60.133%0.33234%0.342SS..BIsolated β-bridgetrans-67.7130.3174.5-165.2163.8-8.900109.1E339 R343E339-Q350 PolarHBondContact O-NE2 2.94Å; R343-Q350 VanDerWaalsContact NH2-OE1 3.16Å
351L89.6Confident85.1Confident7 Ų760.1 Ų60.14%0.03734%0.337CS..PPolyproline II helixtrans-88.3152.3179.2-63.5173.4000109.1Y342 C344 I349 H358 C360 M367 C369Y342-L351 HydrophobicContact CD1-CB 3.7Å; Y342-L351 WeakPolarHBondContact CD1-O 3.21Å; Y342-L351 HydrophobicContact CE1-CB 3.39Å; Y342-L351 WeakPolarHBondContact CE1-O 3.04Å; Y342-L351 PolarHBondContact O-N 3.45Å; C344-L351 HydrophobicContact CB-CD2 4.14Å; C344-L351 HydrophobicContact CB-CG 4.46Å; I349-L351 PolarHBondContact O-N 2.86Å; L351-H358 CarbonylContact C-O 3.6Å; L351-H358 VanDerWaalsContact CA-O 3.28Å; L351-H358 WeakPolarHBondContact CA-O 3.45Å; L351-C360 HydrophobicContact CB-CB 4.44Å; L351-C360 HydrophobicContact CD1-CB 3.91Å; L351-M367 HydrophobicContact CD1-CB 3.96Å; L351-C369 HydrophobicContact CD2-CB 3.64Å
352S85.3Confident84.7Confident26 Ų2659.8 Ų59.818%0.18234%0.335CS..BIsolated β-bridgetrans-89.2140.4169.7-165.80000110.5Y342 E354 N356 H358Y342-S352 WeakPolarHBondContact CE1-O 3.43Å; Y342-S352 PolarHBondContact OH-O 3.35Å; S352-E354 PolarHBondContact O-N 3.04Å; S352-E354 PolarHBondContact OG-N 2.61Å; S352-N356 WeakPolarHBondContact CB-ND2 3.4Å; S352-N356 VanDerWaalsContact CB-OD1 3.25Å; S352-N356 WeakPolarHBondContact CB-OD1 3.37Å; S352-N356 PolarHBondContact OG-ND2 2.84Å; S352-H358 PolarHBondContact N-O 3.24Å
353P79.2Confident84.4Confident31 Ų3161.5 Ų61.520%0.20134%0.344CS..SBendtrans-63.7-19.8166.9-22.634.6000112.9V11 V330 Y342V11-P353 HydrophobicContact CG1-CB 4.1Å; V330-P353 HydrophobicContact CG1-CB 4.34Å; V330-P353 HydrophobicContact CG1-CG 4.1Å; V330-P353 HydrophobicContact CG2-CG 3.99Å; Y342-P353 HydrophobicContact CE1-CG 4.39Å
354E79.1Confident83.9Confident129 Ų12964.8 Ų64.860%0.60336%0.363SS*.SBendtrans-90.3153.5177.9-62.5-167.8140.800112.7S352 N356 G359S352-E354 PolarHBondContact O-N 3.04Å; S352-E354 PolarHBondContact OG-N 2.61Å; E354-N356 PolarHBondContact O-N 3.38Å; E354-G359 WeakPolarHBondContact O-CA 3.25Å
355P69.6Low83.3Confident129 Ų12966.2 Ų66.284%0.83838%0.379SS*.SBendtrans-78.352.917835.2-37.8000112.6
356N74.8Confident83Confident58 Ų5868.3 Ų68.331%0.3137%0.37SS..SBendtrans-97.5-169.217462.346.2000111.1S352 E354 H358 G359S352-N356 WeakPolarHBondContact CB-ND2 3.4Å; S352-N356 VanDerWaalsContact CB-OD1 3.25Å; S352-N356 WeakPolarHBondContact CB-OD1 3.37Å; S352-N356 PolarHBondContact OG-ND2 2.84Å; E354-N356 PolarHBondContact O-N 3.38Å; N356-H358 PolarHBondContact O-N 2.92Å; N356-H358 PolarHBondContact OD1-N 3.34Å; N356-G359 PolarHBondContact O-N 3.02Å; N356-G359 PolarHBondContact OD1-N 2.91Å
357E71.7Confident82.9Confident151 Ų15165.2 Ų65.271%0.70635%0.353SS*.THydrogen-bonded Turntrans-64.5-25.2-176.3-56.1-157.8118.200114.1
358H75.3Confident82.8Confident105 Ų10561.8 Ų61.849%0.48633%0.33SS..THydrogen-bonded Turntrans-93.26.1173.3-60.295.8000112.4L351 S352 N356L351-H358 CarbonylContact C-O 3.6Å; L351-H358 VanDerWaalsContact CA-O 3.28Å; L351-H358 WeakPolarHBondContact CA-O 3.45Å; S352-H358 PolarHBondContact N-O 3.24Å; N356-H358 PolarHBondContact O-N 2.92Å; N356-H358 PolarHBondContact OD1-N 3.34Å
359G81.5Confident82.9Confident1 Ų160.7 Ų60.71%0.0132%0.316CS..BIsolated β-bridgetrans-60.1156.2-179.200000113.5E354 N356 Y361E354-G359 WeakPolarHBondContact O-CA 3.25Å; N356-G359 PolarHBondContact O-N 3.02Å; N356-G359 PolarHBondContact OD1-N 2.91Å; G359-Y361 VanDerWaalsContact O-CD2 3.25Å; G359-Y361 WeakPolarHBondContact O-CD2 3.28Å; G359-Y361 WeakPolarHBondContact O-CE2 3.44Å
360C85.5Confident82.7Confident20 Ų2061.7 Ų61.714%0.13532%0.318CS..EExtended strand (participates in β ladder)trans-80.3135.2176.4-179.80000112.1V11 Y342 L351 M367V11-C360 HydrophobicContact CG2-CB 4.35Å; Y342-C360 WeakPolarHBondContact OH-CB 3.38Å; L351-C360 HydrophobicContact CB-CB 4.44Å; L351-C360 HydrophobicContact CD1-CB 3.91Å; C360-M367 VanDerWaalsContact SG-CB 3.55Å
361Y86.8Confident82.6Confident78 Ų7861.4 Ų61.431%0.30633%0.328SS..EExtended strand (participates in β ladder)trans-120.796.7173.4-67.8-97.1000108.4G359 L368 K370 H373G359-Y361 VanDerWaalsContact O-CD2 3.25Å; G359-Y361 WeakPolarHBondContact O-CD2 3.28Å; G359-Y361 WeakPolarHBondContact O-CE2 3.44Å; Y361-L368 PolarHBondContact N-O 3.43Å; Y361-L368 PolarHBondContact O-N 2.86Å; Y361-K370 HydrophobicContact CD2-CB 3.93Å; Y361-K370 HydrophobicContact CE2-CB 3.51Å; Y361-K370 HydrophobicContact CE2-CD 4.4Å; Y361-K370 HydrophobicContact CE2-CG 3.88Å; Y361-H373 HydrophobicContact CG-CB 4.37Å
362P84.7Confident82.6Confident32 Ų3262.1 Ų62.121%0.20833%0.333CS..EExtended strand (participates in β ladder)trans-64.2132.9178.6-26.837.3000113.3M10 L333 K366M10-P362 HydrophobicContact CE-CG 4.44Å; L333-P362 HydrophobicContact CD1-CB 4.15Å; L333-P362 HydrophobicContact CD2-CB 3.93Å; L333-P362 HydrophobicContact CD2-CG 4.03Å; L333-P362 HydrophobicContact CG-CB 4.4Å; L333-P362 HydrophobicContact CG-CG 4.46Å; P362-K366 WeakPolarHBondContact CA-O 3.35Å
363L86.3Confident82.8Confident38 Ų3863.1 Ų63.120%0.19934%0.335CS..EExtended strand (participates in β ladder)trans-146.1125.8174.4-172.554.3000109.7G365 K366 L368 L376 V377L363-G365 PolarHBondContact O-N 3.27Å; L363-K366 PolarHBondContact N-O 3.3Å; L363-K366 WeakPolarHBondContact O-CB 3.25Å; L363-K366 PolarHBondContact O-N 3.01Å; L363-L368 HydrophobicContact CB-CD1 4.07Å; L363-L368 HydrophobicContact CD2-CD1 4.23Å; L363-L376 HydrophobicContact CD2-CB 4.23Å; L363-L376 HydrophobicContact CD2-CD2 3.74Å; L363-L376 HydrophobicContact CG-CD2 4.42Å; L363-V377 HydrophobicContact CD2-CG2 3.64Å
364E81.5Confident83.3Confident159 Ų15965.4 Ų65.474%0.74335%0.348SS*.THydrogen-bonded Turntrans50.628.6-177.7-57.1-171.8133.600114.9K366E364-K366 VanDerWaalsContact C-N 3.29Å; E364-K366 PolarHBondContact O-N 2.9Å
365G77.6Confident83.7Confident35 Ų3563.5 Ų63.536%0.36135%0.349SS..THydrogen-bonded Turntrans804.2-177.400000115.3R335 L363R335-G365 PolarHBondContact NH1-O 3.2Å; L363-G365 PolarHBondContact O-N 3.27Å
366K83.1Confident84.6Confident105 Ų10559.9 Ų59.946%0.45732%0.322SS..EExtended strand (participates in β ladder)trans-88.4153.8163.2-60.4179.8177.9-178.60110.4P362 L363 E364 L368P362-K366 WeakPolarHBondContact CA-O 3.35Å; L363-K366 PolarHBondContact N-O 3.3Å; L363-K366 WeakPolarHBondContact O-CB 3.25Å; L363-K366 PolarHBondContact O-N 3.01Å; E364-K366 VanDerWaalsContact C-N 3.29Å; E364-K366 PolarHBondContact O-N 2.9Å; K366-L368 HydrophobicContact CB-CD2 4.34Å
367M87.9Confident85.2Confident13 Ų1360 Ų606%0.06433%0.325CS..EExtended strand (participates in β ladder)trans-105.6118.3172-65.5-162.8-54.300109.5C332 Y337 Y342 C344 G345 L351 C360C332-M367 HydrophobicContact CB-SD 3.6Å; C332-M367 VanDerWaalsContact CB-SD 3.6Å; Y337-M367 HydrophobicContact CD1-CE 4.21Å; Y337-M367 HydrophobicContact CD2-CE 3.95Å; Y337-M367 HydrophobicContact CE1-CE 3.8Å; Y337-M367 HydrophobicContact CE2-CE 3.51Å; Y337-M367 HydrophobicContact CE2-SD 3.9Å; Y337-M367 HydrophobicContact CG-CE 4.28Å; Y337-M367 VanDerWaalsContact CZ-CE 3.43Å; Y342-M367 HydrophobicContact CD2-CE 3.59Å; Y342-M367 HydrophobicContact CD2-SD 4.17Å; Y342-M367 HydrophobicContact CE2-CE 3.7Å; Y342-M367 HydrophobicContact CE2-SD 3.64Å; C344-M367 WeakPolarHBondContact CA-O 3.23Å; G345-M367 PolarHBondContact N-O 2.92Å; L351-M367 HydrophobicContact CD1-CB 3.96Å; C360-M367 VanDerWaalsContact SG-CB 3.55Å
368L88.7Confident85.7Confident0 Ų056.9 Ų56.90%032%0.32CS..EExtended strand (participates in β ladder)trans-118.2152.3-176-56.6-178.7000110.6D346 Y361 L363 K366 C372 H373 L376D346-L368 HydrophobicContact CB-CD2 4.32Å; D346-L368 VanDerWaalsContact OD2-CD2 3.23Å; D346-L368 WeakPolarHBondContact OD2-CD2 3.26Å; Y361-L368 PolarHBondContact N-O 3.43Å; Y361-L368 PolarHBondContact O-N 2.86Å; L363-L368 HydrophobicContact CB-CD1 4.07Å; L363-L368 HydrophobicContact CD2-CD1 4.23Å; K366-L368 HydrophobicContact CB-CD2 4.34Å; L368-C372 HydrophobicContact CB-CB 4.28Å; L368-C372 HydrophobicContact CD2-CB 4.49Å; L368-H373 HydrophobicContact CB-CB 4.1Å; L368-H373 HydrophobicContact CD1-CB 4.37Å; L368-L376 HydrophobicContact CD1-CD2 4.19Å
369C90.1Very high85.4Confident13 Ų1355 Ų559%0.08833%0.329CS..EExtended strand (participates in β ladder)trans-77.3162.4163.871.90000110.1C344 I349 L351 A371 C372 H373C344-C369 HydrophobicContact CB-CB 4.21Å; C344-C369 PolarHBondContact SG-N 3.12Å; I349-C369 HydrophobicContact CG2-CB 3.83Å; L351-C369 HydrophobicContact CD2-CB 3.64Å; C369-A371 PolarHBondContact O-N 3.39Å; C369-A371 VanDerWaalsContact O-N 3.11Å; C369-C372 PolarHBondContact O-N 3.07Å; C369-C372 VanDerWaalsContact O-N 3.17Å; C369-C372 VanDerWaalsContact SG-SG 3.64Å; C369-H373 WeakPolarHBondContact O-CB 3.39Å; C369-H373 PolarHBondContact O-N 3.36Å
370K87.8Confident84.4Confident95 Ų9561.2 Ų61.241%0.41336%0.357SS..Hα-helixtrans-47.3-42.6-179.8-168177.2175.9-175.10113.6Y361 V374Y361-K370 HydrophobicContact CD2-CB 3.93Å; Y361-K370 HydrophobicContact CE2-CB 3.51Å; Y361-K370 HydrophobicContact CE2-CD 4.4Å; Y361-K370 HydrophobicContact CE2-CG 3.88Å; K370-V374 WeakPolarHBondContact O-CG2 3.5Å; K370-V374 PolarHBondContact O-N 3.41Å; K370-V374 VanDerWaalsContact O-N 3.13Å
371A88.9Confident82.6Confident65 Ų6571.6 Ų71.654%0.53740%0.404SS..Hα-helixtrans-67.5-53-179.800000112.4C369 H373 V374 S375C369-A371 PolarHBondContact O-N 3.39Å; C369-A371 VanDerWaalsContact O-N 3.11Å; A371-H373 VanDerWaalsContact C-N 3.32Å; A371-H373 PolarHBondContact O-N 2.9Å; A371-V374 PolarHBondContact O-N 2.94Å; A371-S375 PolarHBondContact O-N 3.35Å; A371-S375 PolarHBondContact O-OG 3.17Å
372C89.8Confident82.4Confident22 Ų2271.3 Ų71.315%0.14941%0.409CS..Hα-helixtrans-61.2-40.5178.6-66.40000112D346 L368 C369 S375 L376D346-C372 HydrophobicContact CB-CB 4.2Å; L368-C372 HydrophobicContact CB-CB 4.28Å; L368-C372 HydrophobicContact CD2-CB 4.49Å; C369-C372 PolarHBondContact O-N 3.07Å; C369-C372 VanDerWaalsContact O-N 3.17Å; C369-C372 VanDerWaalsContact SG-SG 3.64Å; C372-S375 PolarHBondContact O-N 3.39Å; C372-L376 WeakPolarHBondContact O-CB 3.47Å; C372-L376 PolarHBondContact O-N 3.3Å
373H88.7Confident82.3Confident46 Ų4673.4 Ų73.421%0.21342%0.42CS..Hα-helixtrans-58.3-49.7174.9177-82.8000112.3Y361 L368 C369 A371 L376 V377Y361-H373 HydrophobicContact CG-CB 4.37Å; L368-H373 HydrophobicContact CB-CB 4.1Å; L368-H373 HydrophobicContact CD1-CB 4.37Å; C369-H373 WeakPolarHBondContact O-CB 3.39Å; C369-H373 PolarHBondContact O-N 3.36Å; A371-H373 VanDerWaalsContact C-N 3.32Å; A371-H373 PolarHBondContact O-N 2.9Å; H373-L376 PolarHBondContact O-N 3.48Å; H373-V377 WeakPolarHBondContact O-CG2 3.33Å; H373-V377 PolarHBondContact O-N 2.88Å
374V89.3Confident82Confident79 Ų7975.3 Ų75.348%0.47943%0.432SS..Hα-helixtrans-63.1-44.2177.6171.20000111K370 A371 L376 V377 S378K370-V374 WeakPolarHBondContact O-CG2 3.5Å; K370-V374 PolarHBondContact O-N 3.41Å; K370-V374 VanDerWaalsContact O-N 3.13Å; A371-V374 PolarHBondContact O-N 2.94Å; V374-L376 VanDerWaalsContact C-N 3.33Å; V374-L376 PolarHBondContact O-N 3.29Å; V374-V377 PolarHBondContact O-N 2.95Å; V374-S378 VanDerWaalsContact O-CB 3.31Å; V374-S378 WeakPolarHBondContact O-CB 3.36Å; V374-S378 PolarHBondContact O-N 3.28Å; V374-S378 PolarHBondContact O-OG 3.13Å
375S89.1Confident82.1Confident89 Ų8970.4 Ų70.462%0.62241%0.414SS*.Hα-helixtrans-60.5-38.9177-64.10000113.2A371 C372 G379A371-S375 PolarHBondContact O-N 3.35Å; A371-S375 PolarHBondContact O-OG 3.17Å; C372-S375 PolarHBondContact O-N 3.39Å; S375-G379 PolarHBondContact O-N 3.11Å; S375-G379 VanDerWaalsContact O-N 3.12Å
376L87.2Confident82.4Confident53 Ų5372.6 Ų72.628%0.27742%0.417SS..Hα-helixtrans-69.4-46.1178.8-150.979.4000111.4L363 L368 C372 H373 V374 G379 Q380L363-L376 HydrophobicContact CD2-CB 4.23Å; L363-L376 HydrophobicContact CD2-CD2 3.74Å; L363-L376 HydrophobicContact CG-CD2 4.42Å; L368-L376 HydrophobicContact CD1-CD2 4.19Å; C372-L376 WeakPolarHBondContact O-CB 3.47Å; C372-L376 PolarHBondContact O-N 3.3Å; H373-L376 PolarHBondContact O-N 3.48Å; V374-L376 VanDerWaalsContact C-N 3.33Å; V374-L376 PolarHBondContact O-N 3.29Å; L376-G379 PolarHBondContact O-N 3.02Å; L376-Q380 WeakPolarHBondContact O-CG 3.31Å
377V87Confident82.3Confident61 Ų6170.5 Ų70.537%0.3741%0.414SS..Hα-helixtrans-69.2-40.2-178.8175.30000111.7L363 H373 V374 G379L363-V377 HydrophobicContact CD2-CG2 3.64Å; H373-V377 WeakPolarHBondContact O-CG2 3.33Å; H373-V377 PolarHBondContact O-N 2.88Å; V374-V377 PolarHBondContact O-N 2.95Å; V377-G379 VanDerWaalsContact C-N 3.27Å; V377-G379 PolarHBondContact O-N 3.18Å
378S83.3Confident81.9Confident86 Ų8674.6 Ų74.660%0.60144%0.439SS*.Hα-helixtrans-74.3-14.1175.7-65.90000113.8V374V374-S378 VanDerWaalsContact O-CB 3.31Å; V374-S378 WeakPolarHBondContact O-CB 3.36Å; V374-S378 PolarHBondContact O-N 3.28Å; V374-S378 PolarHBondContact O-OG 3.13Å
379G69.4Low81.4Confident65 Ų6580.3 Ų80.367%0.6747%0.473SS*.THydrogen-bonded Turntrans-89.1-2175.600000115.2S375 L376 V377S375-G379 PolarHBondContact O-N 3.11Å; S375-G379 VanDerWaalsContact O-N 3.12Å; L376-G379 PolarHBondContact O-N 3.02Å; V377-G379 VanDerWaalsContact C-N 3.27Å; V377-G379 PolarHBondContact O-N 3.18Å
380Q60.1Low80.7Confident131 Ų13185.9 Ų85.961%0.61251%0.505SS*.  trans-103.522.1-178.6-73.8-177.2-16.500113.4L376L376-Q380 WeakPolarHBondContact O-CG 3.31Å
381Q47.4Very low80Confident239 Ų23985.1 Ų85.1100%1.11751%0.513SS*.  trans-129.40-164.2-163.6151.9110.600113.8

Retrieved 381 of 381 residues in 52.1 ms (Link to these results)