F7HHH2_MACMU Loading...

Adiponectin I

AlphaFold DB , UniProt , Accession F7HHH2, Species MACMU (Macaca mulatta, Rhesus macaque), Gene C1QL2, Length 287 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
1M58.8Low56.6Low220 Ų220103.4 Ų103.4100%1.08461%0.605SS**  0-690-63.7-57.1-88.800112.1L3 G4M1-L3 PolarHBondContact O-N 3.43Å; M1-G4 PolarHBondContact O-N 2.65Å
2A57.2Low56.5Low80 Ų80105.9 Ų105.966%0.66161%0.613SS**Hα-helixtrans-61.6-39.6-173.700000115.7G4 L5A2-G4 VanDerWaalsContact C-N 3.32Å; A2-G4 PolarHBondContact O-N 2.75Å; A2-L5 PolarHBondContact O-N 3.47Å
3L52Low56.4Low131 Ų131108.1 Ų108.169%0.68662%0.62SS**Hα-helixtrans-68.3-26.9-175-164.166.7000114.1M1 L5M1-L3 PolarHBondContact O-N 3.43Å; L3-L5 VanDerWaalsContact C-N 3.35Å
4G54.2Low56.1Low48 Ų48112.2 Ų112.250%0.49563%0.631SS.*Hα-helixtrans-70-31.5177.600000113.2M1 A2 I7 A8M1-G4 PolarHBondContact O-N 2.65Å; A2-G4 VanDerWaalsContact C-N 3.32Å; A2-G4 PolarHBondContact O-N 2.75Å; G4-I7 PolarHBondContact O-N 2.83Å; G4-A8 WeakPolarHBondContact O-CB 3.24Å; G4-A8 PolarHBondContact O-N 3.34Å
5L56.4Low55.7Low120 Ų120109.9 Ų109.963%0.62863%0.631SS**Hα-helixtrans-69.7-36.3178.8-109.8143.5000112.2A2 L3 I7 A8 V9A2-L5 PolarHBondContact O-N 3.47Å; L3-L5 VanDerWaalsContact C-N 3.35Å; L5-I7 PolarHBondContact O-N 3.07Å; L5-A8 PolarHBondContact O-N 3.12Å; L5-V9 WeakPolarHBondContact O-CG2 3.14Å; L5-V9 PolarHBondContact O-N 3.49Å
6L57.8Low55.3Low128 Ų128107.8 Ų107.867%0.6763%0.631SS**Hα-helixtrans-66.2-23.1176.9-83.7160.8000113.8P10L6-P10 WeakPolarHBondContact O-CD 3.47Å; L6-P10 WeakPolarHBondContact O-CG 3.46Å
7I59.9Low55.3Low105 Ų105108.2 Ų108.254%0.53864%0.638SS.*Hα-helixtrans-97.3-32.5178.7-59.1174.7000111.1G4 L5 P10 L11G4-I7 PolarHBondContact O-N 2.83Å; L5-I7 PolarHBondContact O-N 3.07Å; I7-P10 WeakPolarHBondContact O-CD 3.48Å; I7-L11 HydrophobicContact CG2-CD1 4.1Å
8A57.1Low55.2Low47 Ų47110.2 Ų110.239%0.38865%0.654SS.*Hα-helixtrans-68.7-36.8179.400000113.8G4 L5 L11 L12G4-A8 WeakPolarHBondContact O-CB 3.24Å; G4-A8 PolarHBondContact O-N 3.34Å; L5-A8 PolarHBondContact O-N 3.12Å; A8-L11 PolarHBondContact O-N 2.98Å; A8-L12 PolarHBondContact O-N 3.45Å; A8-L12 VanDerWaalsContact O-N 3.07Å
9V59.5Low54.8Low78 Ų78107.7 Ų107.747%0.47366%0.655SS.*Hα-helixtrans-66.7-46.4-177.91730000112.8L5 L11 L12 L13L5-V9 WeakPolarHBondContact O-CG2 3.14Å; L5-V9 PolarHBondContact O-N 3.49Å; V9-L11 VanDerWaalsContact C-N 3.32Å; V9-L11 PolarHBondContact O-N 2.95Å; V9-L12 PolarHBondContact O-N 2.79Å; V9-L13 HydrophobicContact CG1-CD1 4.27Å; V9-L13 PolarHBondContact O-N 2.71Å
10P56.3Low54.2Low69 Ų69107.1 Ų107.145%0.44866%0.661SS.*Hα-helixtrans-59.5-38.1172.3-26.134.9000114L6 I7 L13 Q14L6-P10 WeakPolarHBondContact O-CD 3.47Å; L6-P10 WeakPolarHBondContact O-CG 3.46Å; I7-P10 WeakPolarHBondContact O-CD 3.48Å; P10-L13 PolarHBondContact O-N 2.66Å; P10-Q14 PolarHBondContact O-N 2.7Å
11L53.4Low53.6Low111 Ų111105.4 Ų105.458%0.58166%0.658SS**Hα-helixtrans-68.1-36.1-179.9-102.2151.8000113I7 A8 V9 Q14 A15I7-L11 HydrophobicContact CG2-CD1 4.1Å; A8-L11 PolarHBondContact O-N 2.98Å; V9-L11 VanDerWaalsContact C-N 3.32Å; V9-L11 PolarHBondContact O-N 2.95Å; L11-Q14 PolarHBondContact O-N 2.77Å; L11-A15 PolarHBondContact O-N 2.79Å
12L55.2Low52.6Low134 Ų134102.1 Ų102.170%0.70264%0.64SS**Hα-helixtrans-68.6-32.7173-84.9160.2000112.7A8 V9 A15A8-L12 PolarHBondContact O-N 3.45Å; A8-L12 VanDerWaalsContact O-N 3.07Å; V9-L12 PolarHBondContact O-N 2.79Å; L12-A15 PolarHBondContact O-N 3.2Å
13L55.5Low51.8Low134 Ų134107.8 Ų107.870%0.70265%0.645SS**Hα-helixtrans-72-25.9175.9-82158.3000113.5V9 P10V9-L13 HydrophobicContact CG1-CD1 4.27Å; V9-L13 PolarHBondContact O-N 2.71Å; P10-L13 PolarHBondContact O-N 2.66Å
14Q52.3Low51.3Low166 Ų166108.8 Ų108.878%0.77665%0.647SS**THydrogen-bonded Turntrans-86.6-5.9176.1-72.6-178.1-2800114P10 L11P10-Q14 PolarHBondContact O-N 2.7Å; L11-Q14 PolarHBondContact O-N 2.77Å
15A49.3Very low50.7Low77 Ų77114.8 Ų114.864%0.63666%0.664SS**THydrogen-bonded Turntrans-95.27.9-179.300000114.3L11 L12L11-A15 PolarHBondContact O-N 2.79Å; L12-A15 PolarHBondContact O-N 3.2Å
16A49.2Very low50.2Low76 Ų76117.9 Ų117.963%0.62868%0.677SS**  trans-76.6125.2175.500000111
17P55.6Low49.9Very low115 Ų115114.8 Ų114.875%0.74768%0.676SS**  trans-69.8141.6-179.527.8-34000111.7G19P17-G19 PolarHBondContact O-N 2.97Å
18P53.7Low49.5Very low144 Ų144115.9 Ų115.994%0.93569%0.688SS**SBendtrans-78.787.6178.832.1-34.1000110.6
19G48.7Very low49.1Very low64 Ų64120.1 Ų120.166%0.6671%0.713SS**  trans-167.4123.9177.900000114.4P17P17-G19 PolarHBondContact O-N 2.97Å
20A42Very low49.1Very low94 Ų94126.4 Ų126.478%0.77773%0.728SS**  trans57.969.3164.300000117.6H22A20-H22 PolarHBondContact O-N 2.75Å
21A41.3Very low49Very low73 Ų73130.2 Ų130.260%0.60374%0.742SS**  trans-69.287.7143.900000108.3Y23A21-Y23 HydrophobicContact CB-CE2 3.97Å; A21-Y23 WeakPolarHBondContact O-CD2 3.31Å; A21-Y23 WeakPolarHBondContact O-CE2 3.26Å
22H37.3Very low49Very low151 Ų151133.3 Ų133.370%0.69976%0.757SS**  trans-90.8104.4-179.8-161.1-92.3000109.6A20 E24A20-H22 PolarHBondContact O-N 2.75Å; H22-E24 PolarHBondContact O-N 2.84Å
23Y41.5Very low48.6Very low199 Ų199132.1 Ų132.178%0.7876%0.759SS**  trans-87.597.1177.8-48.3-86.5000109.3A21 M25A21-Y23 HydrophobicContact CB-CE2 3.97Å; A21-Y23 WeakPolarHBondContact O-CD2 3.31Å; A21-Y23 WeakPolarHBondContact O-CE2 3.26Å; Y23-M25 PolarHBondContact O-N 3.28Å
24E41.4Very low48.3Very low152 Ų152131.7 Ų131.771%0.7176%0.758SS**  trans-76.3106.1171.8-76.7-166.9138.900111H22 M26H22-E24 PolarHBondContact O-N 2.84Å; E24-M26 PolarHBondContact O-N 2.76Å
25M41.5Very low47.9Very low173 Ų173128.9 Ų128.985%0.85275%0.754SS**  trans-70.294.6164.1-68.1-69.9-75.200108.8Y23 G27Y23-M25 PolarHBondContact O-N 3.28Å; M25-G27 PolarHBondContact O-N 2.64Å
26M45.6Very low47.7Very low186 Ų186136 Ų13692%0.91677%0.765SS**  trans-70.570.6174.9-82.7-98.4-83.800111.7E24E24-M26 PolarHBondContact O-N 2.76Å
27G51.3Low47.6Very low63 Ų63138.4 Ų138.465%0.64977%0.773SS**  trans-173.7120.6174.900000112.3M25 C29M25-G27 PolarHBondContact O-N 2.64Å; G27-C29 PolarHBondContact O-N 3.43Å
28T52.5Low46.9Very low127 Ų127137 Ų13778%0.77977%0.771SS**  trans-79.7108.7166.744.30000109R30T28-R30 PolarHBondContact O-N 3.34Å
29C48.6Very low46.4Very low137 Ų137134.6 Ų134.693%0.92676%0.763SS**  trans-67.3115.5173.7-157.60000108.8G27G27-C29 PolarHBondContact O-N 3.43Å
30R57.9Low46.2Very low209 Ų209138.1 Ų138.179%0.78978%0.775SS**  trans-108132.9175.4-74.5-169.1174.4-159.4-3110.2T28T28-R30 PolarHBondContact O-N 3.34Å
31M54.1Low46Very low149 Ų149137.6 Ų137.673%0.73478%0.778SS**  trans-70.1139.6170.4-66.2-77.3-83.800109.2C33M31-C33 PolarHBondContact O-N 3.38Å
32I55.4Low45.6Very low176 Ų176138 Ų13890%0.90379%0.79SS**THydrogen-bonded Turntrans-63.9-13.7-178.8-75.1171.4000112.9
33C46.8Very low45.6Very low110 Ų110134.5 Ų134.574%0.74379%0.794SS**THydrogen-bonded Turntrans-102.41.5-168.9-56.70000115.7M31 P35M31-C33 PolarHBondContact O-N 3.38Å; C33-P35 WeakPolarHBondContact O-CD 3.45Å
34D48.6Very low45.8Very low125 Ų125131.4 Ų131.467%0.66880%0.798SS**  trans-73.4121.7179-77.7-18.2000111.2
35P44.5Very low46Very low106 Ų106129.3 Ų129.369%0.68881%0.807SS**  trans-69.6136.5-178.627.9-34000111.5C33 T37C33-P35 WeakPolarHBondContact O-CD 3.45Å; P35-T37 PolarHBondContact O-N 2.84Å
36Y44.2Very low46.1Very low226 Ų226125 Ų12589%0.88681%0.806SS**  trans-69.192.3-176.5-163.8-87.6000111.7A38Y36-A38 PolarHBondContact O-N 2.89Å
37T46.7Very low45.8Very low128 Ų128121 Ų12179%0.78580%0.804SS**  trans-75.8106.7173.144.60000110.2P35 A39P35-T37 PolarHBondContact O-N 2.84Å; T37-A39 PolarHBondContact O-N 3.38Å
38A42.2Very low45.6Very low85 Ų85128.4 Ų128.470%0.70282%0.818SS**PPolyproline II helixtrans-63.6132.4171.700000110.3Y36Y36-A38 PolarHBondContact O-N 2.89Å
39A41.8Very low44.9Very low94 Ų94127.1 Ų127.178%0.77782%0.82SS**PPolyproline II helixtrans-64.2147.4177.600000111.7T37T37-A39 PolarHBondContact O-N 3.38Å
40P44.4Very low44.5Very low138 Ų138129.3 Ų129.390%0.89682%0.816SS**SBendtrans-81.5131-176.631.3-33.9000113
41G37.9Very low43.7Very low83 Ų83124.8 Ų124.886%0.85681%0.814SS**  trans124120.4159.300000115.3
42G33.8Very low43.3Very low82 Ų82123.7 Ų123.785%0.84582%0.818SS**  trans163.5-50.7164.100000118.9
43G36.2Very low42.8Very low76 Ų76118.6 Ų118.678%0.78481%0.809SS**  trans56.7-175.217900000117.4
44P45.9Very low42.8Very low135 Ų135120 Ų12088%0.87782%0.817SS**  cis-98.7170.2-24.938.4-29.6000112.3
45A45.3Very low42.5Very low108 Ų108119.3 Ų119.389%0.89382%0.822SS**  trans-85.9153.5-176.200000113.9
46G44.9Very low42.4Very low81 Ų81120.5 Ų120.584%0.83583%0.827SS**  trans158.373.1160.100000118.5
47A39.3Very low42.4Very low104 Ų104114.2 Ų114.286%0.8682%0.822SS**  trans-168.5128.5147.100000111.2
48K45.7Very low42.3Very low218 Ų218112.7 Ų112.795%0.94882%0.823SS**  trans-85.3136.4161-73.4-179.6175.1-179.40108.3
49A38.5Very low42.5Very low100 Ų100116.6 Ų116.683%0.82683%0.831SS**  trans-131.6124.2168.400000110.5
50Q39.9Very low42.9Very low182 Ų182121 Ų12185%0.8584%0.835SS**PPolyproline II helixtrans-83.2141.8177.7-168.197.7-7.900109.4
51P42.2Very low42.9Very low115 Ų115120.9 Ų120.975%0.74783%0.832SS**PPolyproline II helixtrans-78.4136.8171.731.2-33.8000111.5
52P44.9Very low43.5Very low126 Ų126126 Ų12682%0.81884%0.836SS**PPolyproline II helixtrans-85136.416632.5-30.6000111.2
53G45.8Very low44.2Very low69 Ų69130.8 Ų130.871%0.71184%0.836SS**PPolyproline II helixtrans-78.5173.8166.900000112.5
54P45.8Very low44.2Very low140 Ų140134.5 Ų134.591%0.90984%0.838SS**PPolyproline II helixtrans-81.4145.6-174.533.2-34.8000112.6
55S42.7Very low44.2Very low109 Ų109136 Ų13676%0.76284%0.837SS**  trans-116.1115.4166.762.40000111.3
56T42.4Very low44Very low132 Ų132136.7 Ų136.781%0.8184%0.836SS**  trans11.7113.6141.751.90000117.5
57A43.4Very low43.7Very low94 Ų94137.6 Ų137.678%0.77784%0.835SS**  trans-60.2165.9145.400000110.8
58A44.8Very low44Very low96 Ų96140.2 Ų140.279%0.79384%0.835SS**  150.7-12.2109.800000115.2
59L47.5Very low44.5Very low167 Ų167135.2 Ų135.287%0.87483%0.825SS**  trans-129.4147.7-173.5-82.3151.4000111.7
60E49.1Very low44.7Very low187 Ų187135.9 Ų135.987%0.87482%0.821SS**SBendtrans68.685.5178.6-53-177.5155.300115.5
61V44.3Very low45.2Very low135 Ų135132.7 Ų132.782%0.81882%0.816SS**  -178.286.1114.11750000107.7
62M51.3Low45.8Very low191 Ų191132.1 Ų132.194%0.94181%0.812SS**  trans-144.677.6164.5-83-162.4-178.200110.2
63Q49Very low45.7Very low182 Ų182136.5 Ų136.585%0.8582%0.818SS**  trans-166.7136.6164.5-97.3154.613.600102.9
64D35.1Very low46.3Very low154 Ų154141.2 Ų141.282%0.82483%0.826SS**  cis-155.2168.830.6-155.4-9.1000111.7
65L46.7Very low47Very low165 Ų165143.3 Ų143.386%0.86482%0.823SS**  trans-107.5121.4-177.5-89.1118.8000113.9
66S41.6Very low48.3Very low124 Ų124140.6 Ų140.687%0.86781%0.813SS**  trans179.6148.6151.145.60000109.6
67A38.8Very low49.7Very low99 Ų99140.6 Ų140.682%0.81882%0.815SS**  cis-148.8170.67.100000112.3
68N43.8Very low51.3Low160 Ų160145.6 Ų145.686%0.85682%0.819SS**  trans-110.6174169.6-102.1-34.8000109.6
69P57.6Low52.7Low112 Ų112144.1 Ų144.173%0.72781%0.814SS**  cis-122.5-145.59.941.7-22000110.4
70P41.7Very low54.3Low115 Ų115143.5 Ų143.575%0.74781%0.811SS**  cis-133.3-179.6-7.442.5-23.8000117.1
71P51.2Low55.9Low114 Ų114140.5 Ų140.574%0.7481%0.808SS**  trans-114.9-179.1-177.242.6-33000114.4
72P55Low57.6Low103 Ų103137.5 Ų137.567%0.66980%0.804SS**  cis-129.5154.6-41.235.2-20.7000113
73F43.1Very low59.2Low218 Ų218139.9 Ų139.996%0.95680%0.803SS**  trans-119.7122.1154.3-80.7-78000109.1Q75F73-Q75 PolarHBondContact O-N 3.1Å; F73-Q75 VanDerWaalsContact O-N 3.13Å
74I57.8Low61Low168 Ų168137.2 Ų137.286%0.86280%0.801SS**  trans-80.995.3179.8-58.5177.4000108.5
75Q61Low63.2Low184 Ų184133.2 Ų133.286%0.8680%0.797SS**PPolyproline II helixtrans-102.2119.8159.1-169.5168.19.800107.7F73F73-Q75 PolarHBondContact O-N 3.1Å; F73-Q75 VanDerWaalsContact O-N 3.13Å
76G69.1Low65.2Low53 Ų53135.1 Ų135.155%0.54680%0.798SS.*PPolyproline II helixtrans-59.115018000000111.7K78G76-K78 PolarHBondContact O-N 3.32Å
77P72.1Confident67.4Low132 Ų132135.2 Ų135.286%0.85780%0.795SS**PPolyproline II helixtrans-57.6134-178.324.3-33.7000110.5G79P77-G79 PolarHBondContact O-N 2.85Å
78K76.6Confident69.7Low199 Ų199133.5 Ų133.587%0.86579%0.787SS**PPolyproline II helixtrans-57.9123.4170.6179.7-178.8177.8-177.90107.8G76G76-K78 PolarHBondContact O-N 3.32Å
79G74.4Confident71.9Confident65 Ų65132.2 Ų132.267%0.6779%0.788SS**PPolyproline II helixtrans-54.6142.5-179.200000112.2P77P77-G79 PolarHBondContact O-N 2.85Å
80D81.3Confident73.3Confident154 Ų154138.3 Ų138.382%0.82480%0.797SS**PPolyproline II helixtrans-56.9146.8-174.4-65.7-48000112.3G82D80-G82 PolarHBondContact O-N 3.31Å
81P83.6Confident75.5Confident124 Ų124135.2 Ų135.281%0.80579%0.785SS**PPolyproline II helixtrans-52.8134.7172.1-25.234.6000111.7R83P81-R83 PolarHBondContact O-N 3.24Å
82G78.9Confident77.3Confident72 Ų72135.6 Ų135.674%0.74279%0.788SS**PPolyproline II helixtrans-55139.2175.800000111.3D80D80-G82 PolarHBondContact O-N 3.31Å
83R84.7Confident78.9Confident240 Ų240136.6 Ų136.691%0.90679%0.794SS**PPolyproline II helixtrans-57.3139.6-179-65.2-175.3-178.6-169.50.4110.4P81P81-R83 PolarHBondContact O-N 3.24Å
84P86.3Confident81Confident126 Ų126129.7 Ų129.782%0.81878%0.784SS**PPolyproline II helixtrans-51.6144.9174.3-27.835.2000112.3
85G83Confident82.5Confident71 Ų71130.7 Ų130.773%0.73279%0.785SS**PPolyproline II helixtrans-57.8147.7174.200000111.4
86K87.5Confident83.8Confident204 Ų204127.8 Ų127.889%0.88778%0.783SS**PPolyproline II helixtrans-60.9141.6175.1-64.2-175-179.2-177.50109.6
87P88.8Confident84.5Confident126 Ų126128.3 Ų128.382%0.81879%0.787SS**PPolyproline II helixtrans-52.1144.8171.3-26.735.2000111.7
88G86.3Confident85.4Confident63 Ų63127.9 Ų127.965%0.64979%0.785SS**PPolyproline II helixtrans-62.5157.617600000112.3
89P90.6Very high86.1Confident133 Ų133124.6 Ų124.686%0.86478%0.784SS**PPolyproline II helixtrans-60.7145.1175.427.6-34.6000110.7G91P89-G91 PolarHBondContact O-N 3.09Å
90R87.3Confident86.6Confident241 Ų241124.7 Ų124.791%0.90979%0.785SS**PPolyproline II helixtrans-59.6135.9171.5-176-179.5173.6176.9-1.2109.1
91G86.4Confident87Confident49 Ų49123.6 Ų123.651%0.50579%0.786SS.*PPolyproline II helixtrans-60.1159.6174.100000112.6P89P89-G91 PolarHBondContact O-N 3.09Å
92P90.7Very high87.2Confident123 Ų123129.3 Ų129.380%0.79979%0.792SS**PPolyproline II helixtrans-59.9152.2178.626.8-34.8000111.3
93P88.6Confident87.5Confident124 Ų124128.3 Ų128.381%0.80578%0.781SS**PPolyproline II helixtrans-54.6145.4167.9-2334.1000111.2
94G85.4Confident87.6Confident72 Ų72122.7 Ų122.774%0.74278%0.776SS**PPolyproline II helixtrans-67.1156.5171.500000111.6
95E89.5Confident87.7Confident189 Ų189122.6 Ų122.688%0.88378%0.775SS**PPolyproline II helixtrans-63144.9176.6-62.7-174.3155.600111.2
96P89.2Confident87.7Confident124 Ų124122.8 Ų122.881%0.80578%0.777SS**PPolyproline II helixtrans-56.3140.5173.8-2534.8000112.1
97G84.4Confident87.6Confident63 Ų63122.5 Ų122.565%0.64978%0.779SS**PPolyproline II helixtrans-63.8154.7174.600000112.3
98P90.6Very high87.3Confident123 Ų123126.1 Ų126.180%0.79978%0.782SS**PPolyproline II helixtrans-61.6148.3176.727.2-34.9000111.2
99P90.3Very high86.9Confident131 Ų131126.5 Ų126.585%0.85179%0.785SS**PPolyproline II helixtrans-54.6141.3175.9-26.635000112.6
100G85.1Confident86.2Confident67 Ų67128 Ų12869%0.69179%0.786SS**PPolyproline II helixtrans-62.8154.3176.400000112.6
101P90.1Very high85.8Confident131 Ų131122.2 Ų122.285%0.85178%0.783SS**PPolyproline II helixtrans-62.1146.4176.427.7-34.8000111.1G103P101-G103 PolarHBondContact O-N 3.38Å
102R88.8Confident84.6Confident244 Ų244123.6 Ų123.692%0.92180%0.796SS**PPolyproline II helixtrans-59.4130.8175.1-178.5179.6173.61750.3110
103G83.7Confident83.2Confident50 Ų50129.2 Ų129.252%0.51580%0.802SS.*PPolyproline II helixtrans-60.3156.8175.500000113.2P101P101-G103 PolarHBondContact O-N 3.38Å
104P87.6Confident82.3Confident122 Ų122129.3 Ų129.379%0.79280%0.803SS**PPolyproline II helixtrans-62.2153.8179.927.3-35000111.8
105P88.3Confident80.3Confident124 Ų124129.4 Ų129.481%0.80580%0.803SS**PPolyproline II helixtrans-57140.2169.7-21.833.6000111.2
106G81.8Confident78.4Confident75 Ų75128.6 Ų128.677%0.77380%0.804SS**PPolyproline II helixtrans-65.7150.2175.900000112.4
107E85.8Confident76.4Confident199 Ų199128.3 Ų128.393%0.9380%0.803SS**PPolyproline II helixtrans-67149.8177.9-62.3-171.4135.800111.6
108K83.4Confident74.1Confident202 Ų202128.9 Ų128.988%0.87881%0.808SS**PPolyproline II helixtrans-77.8126.3179.6-169.5-179.8-173.2-178.70109.1
109G76.6Confident71.8Confident70 Ų70130.5 Ų130.572%0.72281%0.809SS**PPolyproline II helixtrans-58.6145.7179.200000113.5
110D77.1Confident69.3Low166 Ų166133.4 Ų133.489%0.88881%0.811SS**PPolyproline II helixtrans-63.4148.2-177.4-73.3-44.3000113.5
111S77.9Confident66.9Low119 Ų119137.8 Ų137.883%0.83282%0.818SS**PPolyproline II helixtrans-64.3136172.1-60.40000111.5
112G61.6Low64.2Low77 Ų77138.3 Ų138.379%0.79482%0.819SS**PPolyproline II helixtrans-58142176.300000113.1
113R62.4Low61.6Low242 Ų242131.9 Ų131.991%0.91382%0.818SS**PPolyproline II helixtrans-67141.5179.7-70.8-175.7176.9-174.5-0.6111.4
114P68.4Low59Low126 Ų126132.6 Ų132.682%0.81883%0.825SS**PPolyproline II helixtrans-57.8147.7170.8-24.134.3000112.7
115G43.7Very low56.4Low74 Ų74134.2 Ų134.276%0.76383%0.833SS**PPolyproline II helixtrans-65.6147.8176.500000113
116L49.9Very low53.8Low171 Ų171133.4 Ų133.490%0.89584%0.837SS**PPolyproline II helixtrans-69.7140.9178.1-77157.9000111.4
117P47Very low51.4Low119 Ų119134 Ų13477%0.77384%0.843SS**PPolyproline II helixtrans-60.7141.2174.8-23.434.2000112.9
118G36.8Very low48.8Very low74 Ų74128.2 Ų128.276%0.76384%0.837SS**PPolyproline II helixtrans-67.6134.8-18000000113.2Q120G118-Q120 PolarHBondContact O-N 3.4Å
119L42.2Very low46.5Very low158 Ų158125.8 Ų125.883%0.82784%0.839SS**PPolyproline II helixtrans-72.3120.6176.6-131.479.7000110.4L121L119-L121 PolarHBondContact O-N 3.33Å
120Q37.4Very low44.3Very low191 Ų191125.4 Ų125.489%0.89384%0.835SS**PPolyproline II helixtrans-78.7117.5169.7-78.7177.5-21.400110G118G118-Q120 PolarHBondContact O-N 3.4Å
121L34.3Very low42.3Very low159 Ų159124.7 Ų124.783%0.83284%0.836SS**PPolyproline II helixtrans-88.4127.8169.2-67.4173.2000109.5L119L119-L121 PolarHBondContact O-N 3.33Å
122T32.7Very low40.2Very low142 Ų142125.8 Ų125.887%0.87184%0.838SS**PPolyproline II helixtrans-74.8135.6179.541.60000111.3
123A34.1Very low38.9Very low109 Ų109126 Ų12690%0.90184%0.839SS**PPolyproline II helixtrans-77.8139.2178.700000111.7
124G30.6Very low37.6Very low65 Ų65118.1 Ų118.167%0.6783%0.834SS**  trans162.874.6168.600000116.9
125T32.8Very low35.9Very low156 Ų156116.1 Ų116.196%0.95784%0.837SS**  174.4143.3123.128.10000110.5
126A33.5Very low35.7Very low108 Ų108117.9 Ų117.989%0.89384%0.844SS**  trans-112.1149.6-176.900000111.4
127G30.3Very low34.8Very low87 Ų87113.5 Ų113.590%0.89784%0.84SS**  trans154.9109.2163.600000114.5
128G32.9Very low34.1Very low78 Ų78111.7 Ų111.780%0.80484%0.843SS**  trans143.989.7164.600000116.8
129V33.6Very low34.4Very low150 Ų150113.6 Ų113.691%0.90985%0.851SS**  trans-11.8138.6149.7-166.20000115.4
130G31.8Very low34.1Very low62 Ų62109.2 Ų109.264%0.63984%0.844SS**  cis126.497.511.600000111.6
131V33.9Very low34.2Very low151 Ų151107.5 Ų107.592%0.91584%0.841SS**  trans-135.4137168.9-179.30000108.4
132V33.8Very low34.7Very low142 Ų142105.8 Ų105.886%0.86184%0.842SS**  trans-125.1137.7-165.4178.50000111.9
133G34Very low35.4Very low81 Ų81108 Ų10884%0.83584%0.843SS**  trans91.1137.9159.600000115.4
134G34.8Very low35.7Very low77 Ų77105.2 Ų105.279%0.79483%0.825SS**  cis-175.5136.2-6.400000107.6
135G34.1Very low36.7Very low85 Ų85111 Ų11188%0.87684%0.835SS**  68.712590.200000112.3
136A38.2Very low37.5Very low110 Ų110109.4 Ų109.491%0.90982%0.824SS**  cis-157173.50.100000107.3
137G32.1Very low38.3Very low79 Ų79109.8 Ų109.881%0.81482%0.816SS**  cis178.9168.9-0.500000109.5
138G32Very low39.3Very low81 Ų81109.8 Ų109.884%0.83580%0.802SS**  trans165.6127.5-179.900000110.6
139A42.3Very low40.2Very low114 Ų114109.7 Ų109.794%0.94279%0.793SS**  trans-85.1151.6-171.300000112.9
140G36.3Very low41Very low66 Ų66109.3 Ų109.368%0.6879%0.785SS**  trans160.890.8174.400000112.7
141D40.3Very low41.6Very low156 Ų156110.4 Ų110.483%0.83478%0.783SS**  trans28.696.5151.3-50.5-33.5000118.3E143D141-E143 VanDerWaalsContact C-N 3.3Å; D141-E143 PolarHBondContact O-N 3.38Å
142S44.9Very low42.4Very low122 Ų122106.2 Ų106.285%0.85377%0.765SS**  trans-7482.4162.4590000110.3G144S142-G144 PolarHBondContact O-N 3.29Å
143E46.5Very low43.2Very low188 Ų188104.6 Ų104.688%0.87976%0.755SS**  trans-63.198.5164.1-70.9-160.9128.300109D141D141-E143 VanDerWaalsContact C-N 3.3Å; D141-E143 PolarHBondContact O-N 3.38Å
144G41.2Very low44.1Very low51 Ų51109.6 Ų109.653%0.52676%0.755SS.*  trans-63.6136.7-169.700000113.9S142 V146S142-G144 PolarHBondContact O-N 3.29Å; G144-V146 PolarHBondContact O-N 3.29Å
145E52.2Low45.8Very low188 Ų188110 Ų11088%0.87975%0.745SS**SBendtrans-57.171.4170.8-167161.6118.600113.5
146V48.9Very low48.1Very low121 Ų121107.9 Ų107.973%0.73372%0.723SS**  trans-130.3-5.1174.2-67.10000114.1G144G144-V146 PolarHBondContact O-N 3.29Å
147T49.4Very low50.7Low116 Ų116105.3 Ų105.371%0.71270%0.697SS**Hα-helixtrans-76.2-26.6177.652.30000113.6S151T147-S151 WeakPolarHBondContact O-CB 3.43Å; T147-S151 PolarHBondContact O-N 2.84Å
148S51.9Low53.7Low88 Ų88108.6 Ų108.662%0.61569%0.689SS**Hα-helixtrans-63.9-51.4-175.81790000113.1L150 S151 A152S148-L150 PolarHBondContact O-N 3Å; S148-S151 PolarHBondContact O-N 3.25Å; S148-A152 PolarHBondContact O-N 3.15Å; S148-A152 VanDerWaalsContact O-N 3.09Å
149A52.9Low56.8Low75 Ų75105.1 Ų105.162%0.6265%0.652SS**Hα-helixtrans-67.7-34.9-170.100000113.7T153A149-T153 PolarHBondContact O-OG1 2.84Å
150L49.5Very low59.5Low142 Ų142101.2 Ų101.274%0.74362%0.619SS**Hα-helixtrans-82.7-25.2179-143.475.5000112.6S148S148-L150 PolarHBondContact O-N 3Å
151S44.6Very low62.5Low85 Ų8598.3 Ų98.359%0.59459%0.588SS**Hα-helixtrans-69.1-36.6171-159.90000111.4T147 S148 T153 F154 S155T147-S151 WeakPolarHBondContact O-CB 3.43Å; T147-S151 PolarHBondContact O-N 2.84Å; S148-S151 PolarHBondContact O-N 3.25Å; S151-T153 VanDerWaalsContact C-N 3.3Å; S151-T153 PolarHBondContact O-N 2.98Å; S151-F154 PolarHBondContact O-N 3.09Å; S151-S155 PolarHBondContact O-N 3.25Å
152A50.8Low65.3Low64 Ų6494.5 Ų94.553%0.52956%0.562SS.*Hα-helixtrans-60.6-33.8177.600000113.6S148 F154 S155S148-A152 PolarHBondContact O-N 3.15Å; S148-A152 VanDerWaalsContact O-N 3.09Å; A152-F154 VanDerWaalsContact C-N 3.26Å; A152-F154 PolarHBondContact O-N 2.97Å; A152-S155 WeakPolarHBondContact O-CB 3.35Å; A152-S155 PolarHBondContact O-N 3.45Å; A152-S155 VanDerWaalsContact O-N 3.09Å
153T50.1Low67.9Low107 Ų10788.7 Ų88.766%0.65652%0.522SS*.THydrogen-bonded Turntrans-69-18.6-175.9-38.80000114.2A149 S151A149-T153 PolarHBondContact O-OG1 2.84Å; S151-T153 VanDerWaalsContact C-N 3.3Å; S151-T153 PolarHBondContact O-N 2.98Å
154F53.7Low70.4Confident187 Ų18779.8 Ų79.882%0.8248%0.48SS*.THydrogen-bonded Turntrans-11310.8171.9-78.4-84.1000112.8S151 A152 G156S151-F154 PolarHBondContact O-N 3.09Å; A152-F154 VanDerWaalsContact C-N 3.26Å; A152-F154 PolarHBondContact O-N 2.97Å; F154-G156 PolarHBondContact O-N 2.85Å
155S70.4Confident73.1Confident84 Ų8477.3 Ų77.359%0.58746%0.455SS*.  trans-84.454.6-176.2-172.20000112.8S151 A152S151-S155 PolarHBondContact O-N 3.25Å; A152-S155 WeakPolarHBondContact O-CB 3.35Å; A152-S155 PolarHBondContact O-N 3.45Å; A152-S155 VanDerWaalsContact O-N 3.09Å
156G81.1Confident75.3Confident41 Ų4172.7 Ų72.742%0.42343%0.431SS..  trans-60.6156.3164.100000111.4F154 K158F154-G156 PolarHBondContact O-N 2.85Å; G156-K158 PolarHBondContact O-N 3.14Å
157P92.9Very high77.5Confident57 Ų5770.4 Ų70.437%0.3742%0.421SS..  trans-57.9125.2178.222.5-32.1000110.7V199 L283 P286P157-V199 HydrophobicContact CB-CG1 4.21Å; P157-V199 HydrophobicContact CB-CG2 4.12Å; P157-V199 HydrophobicContact CG-CG1 3.84Å; P157-L283 HydrophobicContact CB-CD2 4.16Å; P157-L283 HydrophobicContact CG-CD2 3.79Å; P157-P286 HydrophobicContact CG-CB 3.93Å; P157-P286 HydrophobicContact CG-CG 4.06Å
158K95.4Very high79.8Confident147 Ų14768.1 Ų68.164%0.63941%0.408SS*.  trans-106.3107.1177.1-59.5179.9-175.7172.90108.3G156 L184G156-K158 PolarHBondContact O-N 3.14Å; K158-L184 HydrophobicContact CB-CD2 3.63Å; K158-L184 HydrophobicContact CB-CG 4.34Å; K158-L184 WeakPolarHBondContact O-CG 3.48Å
159I98.2Very high82Confident9 Ų966.7 Ų66.75%0.04639%0.392CS..  trans-127.5118.9-177.1-57.8171.4000108.2H187 F195 V199 Y203 F282 L283I159-H187 WeakPolarHBondContact CD1-NE2 3.35Å; I159-H187 WeakPolarHBondContact CG1-NE2 3.15Å; I159-H187 HydrophobicContact CG2-CB 4.19Å; I159-F195 HydrophobicContact CG2-CE2 3.75Å; I159-F195 HydrophobicContact CG2-CZ 3.96Å; I159-V199 HydrophobicContact CD1-CB 3.84Å; I159-V199 HydrophobicContact CD1-CG2 3.84Å; I159-Y203 HydrophobicContact CB-CE1 4.44Å; I159-Y203 HydrophobicContact CD1-CE1 4.46Å; I159-Y203 WeakPolarHBondContact CD1-OH 3.3Å; I159-Y203 HydrophobicContact CG2-CE1 4.11Å; I159-F282 VanDerWaalsContact O-CA 3.24Å; I159-F282 WeakPolarHBondContact O-CA 3.37Å; I159-F282 WeakPolarHBondContact O-CB 3.13Å; I159-L283 HydrophobicContact CB-CB 4.06Å; I159-L283 HydrophobicContact CD1-CD2 4.43Å; I159-L283 PolarHBondContact O-N 3.47Å
160A98.7Very high84.1Confident31 Ų3168.8 Ų68.826%0.25639%0.388SS..EExtended strand (participates in β ladder)trans-157.6136.817800000110.8N183 L184 G281 F282A160-N183 CarbonylContact O-C 3.57Å; A160-L184 PolarHBondContact N-O 2.83Å; A160-L184 PolarHBondContact O-N 2.82Å; A160-G281 CarbonylContact C-O 3.56Å; A160-G281 WeakPolarHBondContact CA-O 3.42Å; A160-F282 HydrophobicContact CB-CB 3.81Å
161F98.9Very high86.4Confident6 Ų662 Ų623%0.02635%0.354CS..EExtended strand (participates in β ladder)trans-135.2152.1172.874.9-79.5000112V163 T182 Y188 F195 F205 F279 S280 G281F161-V163 HydrophobicContact CD2-CG1 4.27Å; F161-V163 HydrophobicContact CD2-CG2 4.16Å; F161-V163 HydrophobicContact CE2-CG2 4.28Å; F161-T182 CarbonylContact C-O 3.54Å; F161-T182 WeakPolarHBondContact CA-O 3.34Å; F161-T182 WeakPolarHBondContact CB-O 3.27Å; F161-Y188 AromaticContact CD2-CD2 3.72Å; F161-Y188 HydrophobicContact CD2-CD2 3.72Å; F161-Y188 AromaticContact CD2-CG 3.84Å; F161-Y188 HydrophobicContact CD2-CG 3.84Å; F161-Y188 AromaticContact CE2-CD2 3.65Å; F161-Y188 HydrophobicContact CE2-CD2 3.65Å; F161-Y188 HydrophobicContact CE2-CE2 4.19Å; F161-Y188 HydrophobicContact CE2-CG 4.26Å; F161-Y188 HydrophobicContact CG-CD2 4.4Å; F161-Y188 HydrophobicContact CG-CG 4.31Å; F161-Y188 HydrophobicContact CZ-CD2 4.29Å; F161-F195 AromaticContact CD1-CD2 3.53Å; F161-F195 HydrophobicContact CD1-CD2 3.53Å; F161-F195 HydrophobicContact CD1-CE2 4.03Å; F161-F195 HydrophobicContact CD1-CG 4.46Å; F161-F195 HydrophobicContact CE1-CB 4.05Å; F161-F195 AromaticContact CE1-CD2 3.4Å; F161-F195 HydrophobicContact CE1-CD2 3.4Å; F161-F195 VanDerWaalsContact CE1-CD2 3.4Å; F161-F195 HydrophobicContact CE1-CE2 4.1Å; F161-F195 AromaticContact CE1-CG 3.92Å; F161-F195 HydrophobicContact CE1-CG 3.92Å; F161-F195 HydrophobicContact CZ-CB 4.17Å; F161-F195 HydrophobicContact CZ-CD2 4.33Å; F161-F205 HydrophobicContact CE1-CD1 4.09Å; F161-F205 AromaticContact CE1-CE1 3.81Å; F161-F205 HydrophobicContact CE1-CE1 3.81Å; F161-F205 HydrophobicContact CZ-CD1 4.04Å; F161-F205 HydrophobicContact CZ-CE1 4.09Å; F161-F279 AromaticContact CE2-CD1 3.63Å; F161-F279 HydrophobicContact CE2-CD1 3.63Å; F161-F279 HydrophobicContact CE2-CD2 4.44Å; F161-F279 AromaticContact CE2-CE1 3.78Å; F161-F279 HydrophobicContact CE2-CE1 3.78Å; F161-F279 AromaticContact CE2-CG 3.98Å; F161-F279 HydrophobicContact CE2-CG 3.98Å; F161-F279 HydrophobicContact CE2-CZ 4.24Å; F161-F279 AromaticContact CZ-CD1 4Å; F161-F279 HydrophobicContact CZ-CD1 4Å; F161-F279 HydrophobicContact CZ-CD2 4.42Å; F161-F279 AromaticContact CZ-CE1 3.68Å; F161-F279 HydrophobicContact CZ-CE1 3.68Å; F161-F279 HydrophobicContact CZ-CE2 4.12Å; F161-F279 HydrophobicContact CZ-CG 4.35Å; F161-F279 AromaticContact CZ-CZ 3.74Å; F161-F279 HydrophobicContact CZ-CZ 3.74Å; F161-S280 VanDerWaalsContact O-CA 3.26Å; F161-S280 WeakPolarHBondContact O-CA 3.37Å; F161-S280 WeakPolarHBondContact O-CB 3.49Å; F161-G281 VanDerWaalsContact CD1-O 3.28Å; F161-G281 WeakPolarHBondContact CD1-O 3.39Å; F161-G281 VanDerWaalsContact CE1-N 3.28Å; F161-G281 PolarHBondContact N-O 2.88Å; F161-G281 PolarHBondContact O-N 3.08Å
162Y98.9Very high88.9Confident76 Ų7662.4 Ų62.430%0.29834%0.343SS..EExtended strand (participates in β ladder)trans-147124.7169.2169.1-115.8000108.1V181 T182 T278Y162-V181 HydrophobicContact CD1-CB 3.68Å; Y162-V181 HydrophobicContact CD1-CG1 3.86Å; Y162-V181 HydrophobicContact CD1-CG2 4.07Å; Y162-V181 HydrophobicContact CE1-CB 4.13Å; Y162-V181 HydrophobicContact CE1-CG1 4.24Å; Y162-V181 HydrophobicContact CE1-CG2 4.03Å; Y162-V181 PolarHBondContact O-N 2.74Å; Y162-V181 VanDerWaalsContact O-N 3.09Å; Y162-T182 PolarHBondContact N-O 3.1Å; Y162-T182 PolarHBondContact O-N 2.87Å; Y162-T278 HydrophobicContact CE2-CG2 3.8Å
163V98.9Very high91.1Very high0 Ų067.3 Ų67.30%035%0.354CS..EExtended strand (participates in β ladder)trans-135.4140.1-172.6-63.30000110.7F161 F177 D179 V180 Y188 T278 F279F161-V163 HydrophobicContact CD2-CG1 4.27Å; F161-V163 HydrophobicContact CD2-CG2 4.16Å; F161-V163 HydrophobicContact CE2-CG2 4.28Å; V163-F177 HydrophobicContact CB-CB 3.72Å; V163-F177 HydrophobicContact CG2-CB 3.35Å; V163-F177 HydrophobicContact CG2-CD1 4.41Å; V163-F177 HydrophobicContact CG2-CD2 4.29Å; V163-F177 HydrophobicContact CG2-CG 3.81Å; V163-D179 WeakPolarHBondContact CA-O 3.47Å; V163-V180 HydrophobicContact CG1-CB 4.31Å; V163-V180 HydrophobicContact CG1-CG1 4.25Å; V163-V180 HydrophobicContact CG1-CG2 4.01Å; V163-Y188 HydrophobicContact CB-CE1 4.22Å; V163-Y188 HydrophobicContact CG1-CD1 3.6Å; V163-Y188 HydrophobicContact CG1-CE1 3.73Å; V163-Y188 HydrophobicContact CG1-CG 4.21Å; V163-Y188 HydrophobicContact CG2-CD1 4.43Å; V163-Y188 HydrophobicContact CG2-CE1 3.98Å; V163-Y188 HydrophobicContact CG2-CE2 4.24Å; V163-T278 VanDerWaalsContact O-CA 3.31Å; V163-T278 WeakPolarHBondContact O-CA 3.44Å; V163-F279 HydrophobicContact CG2-CB 4.02Å; V163-F279 VanDerWaalsContact CG2-O 3.29Å; V163-F279 WeakPolarHBondContact CG2-O 3.32Å; V163-F279 PolarHBondContact N-O 3.3Å; V163-F279 PolarHBondContact O-N 3.41Å
164G98.9Very high93.4Very high0 Ų063.5 Ų63.50%033%0.331CS..EExtended strand (participates in β ladder)trans-107.4178.7171.800000112F177 D178 D179 N274 S277G164-F177 CarbonylContact O-C 3.52Å; G164-F177 WeakPolarHBondContact O-CA 2.79Å; G164-F177 WeakPolarHBondContact O-CB 3.44Å; G164-D178 PolarHBondContact O-N 2.97Å; G164-D179 PolarHBondContact N-O 3.27Å; G164-D179 WeakPolarHBondContact O-CB 3.39Å; G164-D179 PolarHBondContact O-N 3.49Å; G164-N274 CarbonylContact C-O 3.55Å; G164-N274 VanDerWaalsContact CA-O 3.28Å; G164-N274 WeakPolarHBondContact CA-O 3.43Å; G164-S277 WeakPolarHBondContact CA-O 3.41Å
165L98.8Very high95.5Very high0 Ų054.6 Ų54.60%029%0.292CS..  trans-116.6126.6-177.3-163.874.9000109.2H169 L175 K176 F177 A268 G270 N274 S277L165-H169 WeakPolarHBondContact CD1-CE1 3.43Å; L165-L175 HydrophobicContact CD1-CD1 3.9Å; L165-L175 HydrophobicContact CD1-CG 4.36Å; L165-L175 HydrophobicContact CD2-CD1 4.29Å; L165-K176 VanDerWaalsContact CD1-O 3.23Å; L165-K176 WeakPolarHBondContact CD1-O 3.29Å; L165-F177 HydrophobicContact CB-CD1 4.27Å; L165-F177 HydrophobicContact CD1-CD1 4.17Å; L165-F177 HydrophobicContact CD1-CG 4.46Å; L165-A268 HydrophobicContact CD2-CB 3.49Å; L165-A268 VanDerWaalsContact CD2-CB 3.49Å; L165-G270 WeakPolarHBondContact O-CA 3.19Å; L165-N274 PolarHBondContact N-O 3.38Å; L165-N274 VanDerWaalsContact N-O 3.08Å; L165-N274 CarbonylContact O-C 3.48Å; L165-N274 WeakPolarHBondContact O-CA 3.23Å; L165-N274 VanDerWaalsContact O-CB 3.24Å; L165-N274 WeakPolarHBondContact O-CB 3.33Å; L165-S277 PolarHBondContact N-O 2.89Å
166K98.3Very high96.9Very high90 Ų9054.9 Ų54.939%0.39128%0.283SS..SBendtrans-82.8-63.6178.7-57.4-174.9-179.7129.30111.7D178 D179 N274K166-D178 WeakPolarHBondContact CB-OD1 3.44Å; K166-D178 WeakPolarHBondContact CB-OD2 3.34Å; K166-D178 WeakPolarHBondContact CD-OD2 3.29Å; K166-D178 WeakPolarHBondContact CE-O 3.37Å; K166-D178 WeakPolarHBondContact CG-OD1 3.4Å; K166-D178 WeakPolarHBondContact CG-OD2 3.44Å; K166-D178 PolarHBondContact N-OD1 3.3Å; K166-D178 PolarHBondContact NZ-O 3.09Å; K166-D179 WeakPolarHBondContact CE-OD1 3.38Å; K166-D179 HydrophobicContact CG-CB 3.8Å; K166-N274 HydrophobicContact CG-CB 4.47Å
167S96.1Very high97.7Very high74 Ų7453 Ų5352%0.51726%0.263SS..SBendtrans-100.9136.2-173.2-64.90000111.2H169S167-H169 PolarHBondContact O-N 2.67Å; S167-H169 PolarHBondContact O-ND1 3.03Å
168P97.6Very high98Very high67 Ų6752.8 Ų52.844%0.43526%0.259SS..  trans-61.7125.9173.2-22.333.4000111.8A268P168-A268 WeakPolarHBondContact CA-O 3.49Å; P168-A268 WeakPolarHBondContact CB-O 3.49Å
169H98.1Very high98.1Very high59 Ų5947.1 Ų47.127%0.27324%0.235SC..BIsolated β-bridgetrans-152.8165.6178.863.3-84.8000112.5L165 S167 K176 K267 A268L165-H169 WeakPolarHBondContact CD1-CE1 3.43Å; S167-H169 PolarHBondContact O-N 2.67Å; S167-H169 PolarHBondContact O-ND1 3.03Å; H169-K176 PolarHBondContact CE1-O 2.9Å; H169-K176 PolarHBondContact NE2-N 2.93Å; H169-K176 PolarHBondContact NE2-O 2.77Å; H169-K267 WeakPolarHBondContact O-CB 3.33Å; H169-A268 PolarHBondContact N-O 2.87Å; H169-A268 PolarHBondContact O-N 2.74Å
170E96.7Very high98.2Very high118 Ų11849.7 Ų49.755%0.55125%0.251SS*.  trans-72.6159.7174.3-66.1166.1-169.300111Y172 K267E170-Y172 HydrophobicContact CB-CD2 3.99Å; E170-Y172 HydrophobicContact CB-CE2 3.75Å; E170-Y172 VanDerWaalsContact CD-CE2 3.44Å; E170-Y172 HydrophobicContact CG-CD2 4.36Å; E170-Y172 HydrophobicContact CG-CE2 3.62Å; E170-Y172 VanDerWaalsContact OE2-CE2 3.26Å; E170-Y172 WeakPolarHBondContact OE2-CE2 3.43Å; E170-K267 HydrophobicContact CG-CB 4.34Å
171G96.4Very high98.2Very high1 Ų151.9 Ų51.91%0.0126%0.261CS..  trans-14028.5-177.500000113.6E173 K262 L263G171-E173 PolarHBondContact O-N 3.37Å; G171-K262 WeakPolarHBondContact O-CA 3.17Å; G171-L263 PolarHBondContact O-N 2.95Å
172Y97.2Very high98.2Very high93 Ų9354.5 Ų54.537%0.36528%0.278SS..SBendtrans-65.6-19-169-54-45.2000115E170 K262 L263E170-Y172 HydrophobicContact CB-CD2 3.99Å; E170-Y172 HydrophobicContact CB-CE2 3.75Å; E170-Y172 VanDerWaalsContact CD-CE2 3.44Å; E170-Y172 HydrophobicContact CG-CD2 4.36Å; E170-Y172 HydrophobicContact CG-CE2 3.62Å; E170-Y172 VanDerWaalsContact OE2-CE2 3.26Å; E170-Y172 WeakPolarHBondContact OE2-CE2 3.43Å; Y172-K262 WeakPolarHBondContact O-CD 3.34Å; Y172-K262 WeakPolarHBondContact O-CE 3.33Å; Y172-K262 PolarHBondContact O-NZ 3.46Å; Y172-L263 WeakPolarHBondContact CA-O 3.41Å
173E97.1Very high98.2Very high166 Ų16652.5 Ų52.578%0.77627%0.272SS*.SBendtrans-104-60.8166.4-63.8-171.7156.900110.3G171G171-E173 PolarHBondContact O-N 3.37Å
174V98.6Very high98.1Very high27 Ų2757 Ų5716%0.16430%0.296CS..  trans-145.3133.3175-174.90000108.9T192 K194 Y260V174-T192 WeakPolarHBondContact CG1-O 3.45Å; V174-K194 HydrophobicContact CG1-CG 4.43Å; V174-Y260 HydrophobicContact CB-CD2 4.3Å; V174-Y260 HydrophobicContact CG1-CD2 4.01Å; V174-Y260 HydrophobicContact CG1-CG 4.17Å; V174-Y260 HydrophobicContact CG2-CD2 3.76Å; V174-Y260 HydrophobicContact CG2-CE2 3.9Å; V174-Y260 HydrophobicContact CG2-CG 4.25Å
175L98.8Very high98Very high0 Ų058.9 Ų58.90%032%0.316CS..  trans-80.7124168.2177.860.8000110.1L165 F177 I209 V261 L263 A268L165-L175 HydrophobicContact CD1-CD1 3.9Å; L165-L175 HydrophobicContact CD1-CG 4.36Å; L165-L175 HydrophobicContact CD2-CD1 4.29Å; L175-F177 HydrophobicContact CB-CE2 4.26Å; L175-F177 HydrophobicContact CD2-CE1 3.95Å; L175-F177 HydrophobicContact CD2-CE2 3.85Å; L175-F177 HydrophobicContact CD2-CZ 3.39Å; L175-F177 HydrophobicContact CG-CD2 4.41Å; L175-F177 HydrophobicContact CG-CE1 4.47Å; L175-F177 HydrophobicContact CG-CE2 3.87Å; L175-F177 HydrophobicContact CG-CZ 3.91Å; L175-I209 HydrophobicContact CD2-CD1 3.93Å; L175-I209 HydrophobicContact CD2-CG1 4.46Å; L175-I209 HydrophobicContact CD2-CG2 4.11Å; L175-V261 PolarHBondContact N-O 3.33Å; L175-L263 HydrophobicContact CB-CG 4.35Å; L175-L263 HydrophobicContact CD1-CD1 4.21Å; L175-L263 HydrophobicContact CD2-CD1 4.15Å; L175-L263 HydrophobicContact CD2-CD2 4.11Å; L175-L263 HydrophobicContact CD2-CG 4.31Å; L175-A268 HydrophobicContact CD1-CB 3.76Å; L175-A268 HydrophobicContact CD2-CB 3.77Å; L175-A268 HydrophobicContact CG-CB 4.45Å
176K98.8Very high98Very high91 Ų9165 Ų6540%0.39635%0.348SS..  trans-102104-173.5-60.1-172.2178-168.60111.5L165 H169 D178 T191L165-K176 VanDerWaalsContact CD1-O 3.23Å; L165-K176 WeakPolarHBondContact CD1-O 3.29Å; H169-K176 PolarHBondContact CE1-O 2.9Å; H169-K176 PolarHBondContact NE2-N 2.93Å; H169-K176 PolarHBondContact NE2-O 2.77Å; K176-D178 PolarHBondContact O-N 2.83Å; K176-T191 WeakPolarHBondContact CD-O 3.3Å; K176-T191 WeakPolarHBondContact CE-O 3.28Å; K176-T191 PolarHBondContact NZ-O 3.28Å
177F98.8Very high98Very high0 Ų061.3 Ų61.30%033%0.332CS..  trans-82108.3176.5-58.5-96.2000109.4V163 G164 L165 L175 Y188 P190 I209 V261 F279V163-F177 HydrophobicContact CB-CB 3.72Å; V163-F177 HydrophobicContact CG2-CB 3.35Å; V163-F177 HydrophobicContact CG2-CD1 4.41Å; V163-F177 HydrophobicContact CG2-CD2 4.29Å; V163-F177 HydrophobicContact CG2-CG 3.81Å; G164-F177 CarbonylContact O-C 3.52Å; G164-F177 WeakPolarHBondContact O-CA 2.79Å; G164-F177 WeakPolarHBondContact O-CB 3.44Å; L165-F177 HydrophobicContact CB-CD1 4.27Å; L165-F177 HydrophobicContact CD1-CD1 4.17Å; L165-F177 HydrophobicContact CD1-CG 4.46Å; L175-F177 HydrophobicContact CB-CE2 4.26Å; L175-F177 HydrophobicContact CD2-CE1 3.95Å; L175-F177 HydrophobicContact CD2-CE2 3.85Å; L175-F177 HydrophobicContact CD2-CZ 3.39Å; L175-F177 HydrophobicContact CG-CD2 4.41Å; L175-F177 HydrophobicContact CG-CE1 4.47Å; L175-F177 HydrophobicContact CG-CE2 3.87Å; L175-F177 HydrophobicContact CG-CZ 3.91Å; F177-Y188 WeakPolarHBondContact CB-OH 3.49Å; F177-Y188 PolarHBondContact N-OH 2.83Å; F177-Y188 WeakPolarHBondContact O-CE1 3.38Å; F177-P190 WeakPolarHBondContact O-CB 3.24Å; F177-I209 HydrophobicContact CE1-CD1 3.91Å; F177-I209 HydrophobicContact CZ-CD1 3.53Å; F177-V261 HydrophobicContact CE2-CB 4.21Å; F177-V261 HydrophobicContact CE2-CG2 4.27Å; F177-V261 HydrophobicContact CZ-CG2 4.49Å; F177-F279 HydrophobicContact CD1-CB 4.25Å; F177-F279 HydrophobicContact CD2-CB 3.9Å; F177-F279 HydrophobicContact CD2-CD1 4.2Å; F177-F279 HydrophobicContact CE1-CB 3.95Å; F177-F279 HydrophobicContact CE2-CB 3.59Å; F177-F279 HydrophobicContact CE2-CD1 4.07Å; F177-F279 HydrophobicContact CE2-CG 4.15Å; F177-F279 HydrophobicContact CG-CB 4.22Å; F177-F279 HydrophobicContact CZ-CB 3.6Å; F177-F279 HydrophobicContact CZ-CG 4.5Å
178D98.5Very high98.1Very high54 Ų5458 Ų5829%0.28931%0.308SS..  trans-102.2-1.2-170.666.5-37.6000113.9G164 K166 K176G164-D178 PolarHBondContact O-N 2.97Å; K166-D178 WeakPolarHBondContact CB-OD1 3.44Å; K166-D178 WeakPolarHBondContact CB-OD2 3.34Å; K166-D178 WeakPolarHBondContact CD-OD2 3.29Å; K166-D178 WeakPolarHBondContact CE-O 3.37Å; K166-D178 WeakPolarHBondContact CG-OD1 3.4Å; K166-D178 WeakPolarHBondContact CG-OD2 3.44Å; K166-D178 PolarHBondContact N-OD1 3.3Å; K166-D178 PolarHBondContact NZ-O 3.09Å; K176-D178 PolarHBondContact O-N 2.83Å
179D98.8Very high98.2Very high27 Ų2757.3 Ų57.314%0.14430%0.301CS..EExtended strand (participates in β ladder)trans-100.679.3175.2-159.758.6000111.3V163 G164 K166 V181 N274 K275V163-D179 WeakPolarHBondContact CA-O 3.47Å; G164-D179 PolarHBondContact N-O 3.27Å; G164-D179 WeakPolarHBondContact O-CB 3.39Å; G164-D179 PolarHBondContact O-N 3.49Å; K166-D179 WeakPolarHBondContact CE-OD1 3.38Å; K166-D179 HydrophobicContact CG-CB 3.8Å; D179-V181 PolarHBondContact O-N 2.78Å; D179-N274 HydrophobicContact CB-CB 3.89Å; D179-N274 PolarHBondContact OD1-ND2 3.19Å; D179-N274 VanDerWaalsContact OD1-ND2 3.12Å; D179-N274 WeakPolarHBondContact OD2-CB 3.34Å; D179-K275 IonicContact OD2-NZ 3.54Å; D179-K275 PolarHBondContact OD2-NZ 3.37Å
180V98.8Very high98.2Very high63 Ų6356.5 Ų56.538%0.38230%0.301SS..EExtended strand (participates in β ladder)trans-75.2117.5-177.6-1760000111.2V163 N183 P190V163-V180 HydrophobicContact CG1-CB 4.31Å; V163-V180 HydrophobicContact CG1-CG1 4.25Å; V163-V180 HydrophobicContact CG1-CG2 4.01Å; V180-N183 HydrophobicContact CG1-CB 3.76Å; V180-P190 HydrophobicContact CG2-CB 3.96Å; V180-P190 HydrophobicContact CG2-CG 3.94Å
181V98.8Very high98.3Very high77 Ų7755.6 Ų55.647%0.46730%0.304SS..EExtended strand (participates in β ladder)trans-100.4-44.7176.21780000110.8Y162 D179Y162-V181 HydrophobicContact CD1-CB 3.68Å; Y162-V181 HydrophobicContact CD1-CG1 3.86Å; Y162-V181 HydrophobicContact CD1-CG2 4.07Å; Y162-V181 HydrophobicContact CE1-CB 4.13Å; Y162-V181 HydrophobicContact CE1-CG1 4.24Å; Y162-V181 HydrophobicContact CE1-CG2 4.03Å; Y162-V181 PolarHBondContact O-N 2.74Å; Y162-V181 VanDerWaalsContact O-N 3.09Å; D179-V181 PolarHBondContact O-N 2.78Å
182T98.8Very high98.4Very high62 Ų6258 Ų5838%0.3832%0.319SS..EExtended strand (participates in β ladder)trans-133.5136.1177-55.10000109.1F161 Y162F161-T182 CarbonylContact C-O 3.54Å; F161-T182 WeakPolarHBondContact CA-O 3.34Å; F161-T182 WeakPolarHBondContact CB-O 3.27Å; Y162-T182 PolarHBondContact N-O 3.1Å; Y162-T182 PolarHBondContact O-N 2.87Å
183N98.6Very high98.4Very high33 Ų3353.6 Ų53.618%0.17630%0.301CS..EExtended strand (participates in β ladder)trans-151.857.8173.6-164.69.1000111.1A160 V180 G185 N186 H187 Y188A160-N183 CarbonylContact O-C 3.57Å; V180-N183 HydrophobicContact CG1-CB 3.76Å; N183-G185 PolarHBondContact O-N 2.83Å; N183-N186 PolarHBondContact O-N 2.97Å; N183-N186 PolarHBondContact O-OD1 3.45Å; N183-N186 WeakPolarHBondContact OD1-CA 3.4Å; N183-H187 PolarHBondContact OD1-N 2.81Å; N183-Y188 PolarHBondContact ND2-O 2.88Å; N183-Y188 PolarHBondContact OD1-N 2.84Å; N183-Y188 VanDerWaalsContact OD1-N 3.1Å
184L98.3Very high98.5Very high95 Ų9547.6 Ų47.650%0.49727%0.272SS..EExtended strand (participates in β ladder)trans-66122-179.9-172.664.3000109.8K158 A160K158-L184 HydrophobicContact CB-CD2 3.63Å; K158-L184 HydrophobicContact CB-CG 4.34Å; K158-L184 WeakPolarHBondContact O-CG 3.48Å; A160-L184 PolarHBondContact N-O 2.83Å; A160-L184 PolarHBondContact O-N 2.82Å
185G96.4Very high98.5Very high40 Ų4046.3 Ų46.341%0.41227%0.265SS..THydrogen-bonded Turntrans86.9-5.3-171.900000114.8N183 H187N183-G185 PolarHBondContact O-N 2.83Å; G185-H187 VanDerWaalsContact C-CD2 3.47Å; G185-H187 VanDerWaalsContact C-N 3.28Å; G185-H187 PolarHBondContact O-CD2 3.39Å; G185-H187 VanDerWaalsContact O-CD2 3.24Å; G185-H187 PolarHBondContact O-N 2.82Å
186N98.1Very high98.5Very high127 Ų12748.3 Ų48.368%0.67928%0.279SS*.SBendtrans55.436.6178.9-57.8-57.7000114.6N183N183-N186 PolarHBondContact O-N 2.97Å; N183-N186 PolarHBondContact O-OD1 3.45Å; N183-N186 WeakPolarHBondContact OD1-CA 3.4Å
187H98.4Very high98.5Very high14 Ų1444 Ų447%0.06526%0.26CS..  trans-84.1-19.5179.2-70.5-97.3000113.7I159 N183 G185 F195 S196I159-H187 WeakPolarHBondContact CD1-NE2 3.35Å; I159-H187 WeakPolarHBondContact CG1-NE2 3.15Å; I159-H187 HydrophobicContact CG2-CB 4.19Å; N183-H187 PolarHBondContact OD1-N 2.81Å; G185-H187 VanDerWaalsContact C-CD2 3.47Å; G185-H187 VanDerWaalsContact C-N 3.28Å; G185-H187 PolarHBondContact O-CD2 3.39Å; G185-H187 VanDerWaalsContact O-CD2 3.24Å; G185-H187 PolarHBondContact O-N 2.82Å; H187-F195 HydrophobicContact CB-CD2 3.73Å; H187-F195 HydrophobicContact CB-CE2 3.33Å; H187-F195 HydrophobicContact CB-CZ 3.95Å; H187-F195 CarbonylContact O-C 3.58Å; H187-F195 WeakPolarHBondContact O-CA 3.48Å; H187-S196 PolarHBondContact ND1-O 3.35Å; H187-S196 PolarHBondContact O-N 3.34Å
188Y98.9Very high98.4Very high4 Ų449.7 Ų49.72%0.01629%0.287CS..EExtended strand (participates in β ladder)trans-91.2132.6171.5-173.3-93.3000110.6F161 V163 F177 N183 P190 G193 K194 F195 F279F161-Y188 AromaticContact CD2-CD2 3.72Å; F161-Y188 HydrophobicContact CD2-CD2 3.72Å; F161-Y188 AromaticContact CD2-CG 3.84Å; F161-Y188 HydrophobicContact CD2-CG 3.84Å; F161-Y188 AromaticContact CE2-CD2 3.65Å; F161-Y188 HydrophobicContact CE2-CD2 3.65Å; F161-Y188 HydrophobicContact CE2-CE2 4.19Å; F161-Y188 HydrophobicContact CE2-CG 4.26Å; F161-Y188 HydrophobicContact CG-CD2 4.4Å; F161-Y188 HydrophobicContact CG-CG 4.31Å; F161-Y188 HydrophobicContact CZ-CD2 4.29Å; V163-Y188 HydrophobicContact CB-CE1 4.22Å; V163-Y188 HydrophobicContact CG1-CD1 3.6Å; V163-Y188 HydrophobicContact CG1-CE1 3.73Å; V163-Y188 HydrophobicContact CG1-CG 4.21Å; V163-Y188 HydrophobicContact CG2-CD1 4.43Å; V163-Y188 HydrophobicContact CG2-CE1 3.98Å; V163-Y188 HydrophobicContact CG2-CE2 4.24Å; F177-Y188 WeakPolarHBondContact CB-OH 3.49Å; F177-Y188 PolarHBondContact N-OH 2.83Å; F177-Y188 WeakPolarHBondContact O-CE1 3.38Å; N183-Y188 PolarHBondContact ND2-O 2.88Å; N183-Y188 PolarHBondContact OD1-N 2.84Å; N183-Y188 VanDerWaalsContact OD1-N 3.1Å; Y188-P190 HydrophobicContact CE1-CB 4.16Å; Y188-G193 WeakPolarHBondContact CE2-O 3.43Å; Y188-G193 VanDerWaalsContact OH-C 3.26Å; Y188-G193 VanDerWaalsContact OH-CA 3.27Å; Y188-G193 WeakPolarHBondContact OH-CA 3.39Å; Y188-G193 PolarHBondContact OH-O 3.35Å; Y188-G193 VanDerWaalsContact OH-O 3.09Å; Y188-K194 WeakPolarHBondContact CA-O 3.39Å; Y188-K194 WeakPolarHBondContact CD2-O 3.5Å; Y188-F195 HydrophobicContact CD2-CB 4.34Å; Y188-F279 AromaticContact CE2-CD1 3.97Å; Y188-F279 HydrophobicContact CE2-CD1 3.97Å; Y188-F279 HydrophobicContact CE2-CE1 4.12Å
189D98.8Very high98.4Very high52 Ų5249.2 Ų49.228%0.27829%0.286SS..EExtended strand (participates in β ladder)trans-114.8112.7174166.628.2000110.7T191 T192 G193 K194D189-T191 VanDerWaalsContact CG-OG1 3.25Å; D189-T191 PolarHBondContact O-N 2.68Å; D189-T191 WeakPolarHBondContact OD1-CB 3.42Å; D189-T191 PolarHBondContact OD1-N 3.29Å; D189-T191 PolarHBondContact OD1-OG1 3.32Å; D189-T191 PolarHBondContact OD2-OG1 3.45Å; D189-T192 WeakPolarHBondContact CB-OG1 3.49Å; D189-T192 VanDerWaalsContact CG-OG1 3.29Å; D189-T192 PolarHBondContact O-N 3.4Å; D189-T192 PolarHBondContact O-OG1 2.84Å; D189-T192 VanDerWaalsContact OD2-CB 3.3Å; D189-T192 WeakPolarHBondContact OD2-CB 3.28Å; D189-T192 WeakPolarHBondContact OD2-CG2 3.37Å; D189-T192 PolarHBondContact OD2-N 3.19Å; D189-T192 PolarHBondContact OD2-OG1 3.12Å; D189-G193 WeakPolarHBondContact O-CA 3.44Å; D189-G193 PolarHBondContact O-N 2.8Å; D189-K194 PolarHBondContact N-O 2.98Å; D189-K194 PolarHBondContact O-N 3.26Å
190P98.4Very high98.3Very high43 Ų4353.4 Ų53.428%0.27930%0.3SS..THydrogen-bonded Turntrans-69.3-16.1179.430.3-36.1000113.6F177 V180 Y188F177-P190 WeakPolarHBondContact O-CB 3.24Å; V180-P190 HydrophobicContact CG2-CB 3.96Å; V180-P190 HydrophobicContact CG2-CG 3.94Å; Y188-P190 HydrophobicContact CE1-CB 4.16Å
191T98.4Very high98.3Very high98 Ų9850.4 Ų50.460%0.60128%0.281SS*.THydrogen-bonded Turntrans-79.5-31.9179.674.50000112.4K176 D189K176-T191 WeakPolarHBondContact CD-O 3.3Å; K176-T191 WeakPolarHBondContact CE-O 3.28Å; K176-T191 PolarHBondContact NZ-O 3.28Å; D189-T191 VanDerWaalsContact CG-OG1 3.25Å; D189-T191 PolarHBondContact O-N 2.68Å; D189-T191 WeakPolarHBondContact OD1-CB 3.42Å; D189-T191 PolarHBondContact OD1-N 3.29Å; D189-T191 PolarHBondContact OD1-OG1 3.32Å; D189-T191 PolarHBondContact OD2-OG1 3.45Å
192T98.5Very high98.3Very high53 Ų5349.2 Ų49.233%0.32527%0.272SS..THydrogen-bonded Turntrans-95-26.9172.254.60000113.1V174 D189V174-T192 WeakPolarHBondContact CG1-O 3.45Å; D189-T192 WeakPolarHBondContact CB-OG1 3.49Å; D189-T192 VanDerWaalsContact CG-OG1 3.29Å; D189-T192 PolarHBondContact O-N 3.4Å; D189-T192 PolarHBondContact O-OG1 2.84Å; D189-T192 VanDerWaalsContact OD2-CB 3.3Å; D189-T192 WeakPolarHBondContact OD2-CB 3.28Å; D189-T192 WeakPolarHBondContact OD2-CG2 3.37Å; D189-T192 PolarHBondContact OD2-N 3.19Å; D189-T192 PolarHBondContact OD2-OG1 3.12Å
193G98.7Very high98.3Very high0 Ų046.3 Ų46.30%025%0.254CS..THydrogen-bonded Turntrans88.67-175.500000114.2Y188 D189Y188-G193 WeakPolarHBondContact CE2-O 3.43Å; Y188-G193 VanDerWaalsContact OH-C 3.26Å; Y188-G193 VanDerWaalsContact OH-CA 3.27Å; Y188-G193 WeakPolarHBondContact OH-CA 3.39Å; Y188-G193 PolarHBondContact OH-O 3.35Å; Y188-G193 VanDerWaalsContact OH-O 3.09Å; D189-G193 WeakPolarHBondContact O-CA 3.44Å; D189-G193 PolarHBondContact O-N 2.8Å
194K98.9Very high98.3Very high39 Ų3947.1 Ų47.117%0.1726%0.256CS..EExtended strand (participates in β ladder)trans-111.2150-166.6-53.2-174.7-175.7178.20113V174 Y188 D189 E258 Y260V174-K194 HydrophobicContact CG1-CG 4.43Å; Y188-K194 WeakPolarHBondContact CA-O 3.39Å; Y188-K194 WeakPolarHBondContact CD2-O 3.5Å; D189-K194 PolarHBondContact N-O 2.98Å; D189-K194 PolarHBondContact O-N 3.26Å; K194-E258 HydrophobicContact CD-CB 4.25Å; K194-E258 VanDerWaalsContact CD-CD 3.44Å; K194-E258 HydrophobicContact CD-CG 4.2Å; K194-E258 WeakPolarHBondContact CD-OE1 3.46Å; K194-E258 IonicContact NZ-OE1 2.66Å; K194-E258 PolarHBondContact NZ-OE1 3.14Å; K194-E258 IonicContact NZ-OE2 3.53Å; K194-E258 PolarHBondContact NZ-OE2 3.07Å; K194-Y260 HydrophobicContact CD-CD1 4.21Å; K194-Y260 HydrophobicContact CG-CD1 4.15Å; K194-Y260 HydrophobicContact CG-CG 4.31Å
195F98.9Very high98.4Very high0 Ų042.6 Ų42.60%023%0.232CC..EExtended strand (participates in β ladder)trans-92.5127.8158.6173.6-88.2000109.3I159 F161 H187 Y188 C197 Y203 F205 L253 E258 V259I159-F195 HydrophobicContact CG2-CE2 3.75Å; I159-F195 HydrophobicContact CG2-CZ 3.96Å; F161-F195 AromaticContact CD1-CD2 3.53Å; F161-F195 HydrophobicContact CD1-CD2 3.53Å; F161-F195 HydrophobicContact CD1-CE2 4.03Å; F161-F195 HydrophobicContact CD1-CG 4.46Å; F161-F195 HydrophobicContact CE1-CB 4.05Å; F161-F195 AromaticContact CE1-CD2 3.4Å; F161-F195 HydrophobicContact CE1-CD2 3.4Å; F161-F195 VanDerWaalsContact CE1-CD2 3.4Å; F161-F195 HydrophobicContact CE1-CE2 4.1Å; F161-F195 AromaticContact CE1-CG 3.92Å; F161-F195 HydrophobicContact CE1-CG 3.92Å; F161-F195 HydrophobicContact CZ-CB 4.17Å; F161-F195 HydrophobicContact CZ-CD2 4.33Å; H187-F195 HydrophobicContact CB-CD2 3.73Å; H187-F195 HydrophobicContact CB-CE2 3.33Å; H187-F195 HydrophobicContact CB-CZ 3.95Å; H187-F195 CarbonylContact O-C 3.58Å; H187-F195 WeakPolarHBondContact O-CA 3.48Å; Y188-F195 HydrophobicContact CD2-CB 4.34Å; F195-C197 HydrophobicContact CE1-CB 4.16Å; F195-Y203 HydrophobicContact CE1-CD1 4.31Å; F195-Y203 HydrophobicContact CE1-CE1 4.09Å; F195-Y203 HydrophobicContact CE2-CE1 4.47Å; F195-Y203 AromaticContact CZ-CD1 3.96Å; F195-Y203 HydrophobicContact CZ-CD1 3.96Å; F195-Y203 AromaticContact CZ-CE1 3.51Å; F195-Y203 HydrophobicContact CZ-CE1 3.51Å; F195-F205 HydrophobicContact CB-CE1 4.31Å; F195-F205 AromaticContact CD1-CE1 3.93Å; F195-F205 HydrophobicContact CD1-CE1 3.93Å; F195-F205 AromaticContact CD1-CZ 3.82Å; F195-F205 HydrophobicContact CD1-CZ 3.82Å; F195-F205 HydrophobicContact CE1-CE1 4.41Å; F195-F205 HydrophobicContact CE1-CZ 4Å; F195-F205 AromaticContact CG-CE1 3.99Å; F195-F205 HydrophobicContact CG-CE1 3.99Å; F195-F205 HydrophobicContact CG-CZ 4.35Å; F195-L253 HydrophobicContact CD1-CD1 4.33Å; F195-L253 HydrophobicContact CE1-CD1 3.88Å; F195-E258 CarbonylContact O-C 3.57Å; F195-E258 WeakPolarHBondContact O-CA 3.34Å; F195-V259 HydrophobicContact CB-CB 4.45Å; F195-V259 HydrophobicContact CD1-CB 4.4Å; F195-V259 PolarHBondContact N-O 3.21Å; F195-V259 PolarHBondContact O-N 2.85Å
196S98.7Very high98.5Very high42 Ų4241.9 Ų41.929%0.29422%0.22SC..EExtended strand (participates in β ladder)trans-110.9114.1176-60.70000110.8H187 Q198H187-S196 PolarHBondContact ND1-O 3.35Å; H187-S196 PolarHBondContact O-N 3.34Å; S196-Q198 PolarHBondContact O-N 2.96Å
197C98.4Very high98.5Very high2 Ų235.8 Ų35.81%0.01419%0.187CC..  trans-64.9131.4175.4-173.90000110.5F195 V199 L253 D254 G256 D257F195-C197 HydrophobicContact CE1-CB 4.16Å; C197-V199 PolarHBondContact SG-O 3.09Å; C197-L253 HydrophobicContact CB-CB 4.04Å; C197-L253 HydrophobicContact CB-CD1 4.09Å; C197-D254 VanDerWaalsContact CB-O 3.24Å; C197-D254 WeakPolarHBondContact CB-O 3.46Å; C197-D254 PolarHBondContact SG-O 3.37Å; C197-G256 PolarHBondContact O-N 3.05Å; C197-D257 HydrophobicContact CB-CB 4.07Å; C197-D257 WeakPolarHBondContact CB-O 3.45Å; C197-D257 PolarHBondContact N-O 2.93Å
198Q96.6Very high98.5Very high119 Ų11938.8 Ų38.856%0.55620%0.201SC*.  trans-122.2-22.4169.1-44.8167.811.600111.8S196 S255S196-Q198 PolarHBondContact O-N 2.96Å; Q198-S255 WeakPolarHBondContact CA-OG 3.4Å; Q198-S255 WeakPolarHBondContact O-CB 3.31Å; Q198-S255 PolarHBondContact O-OG 3.05Å
199V97.6Very high98.5Very high44 Ų4438.6 Ų38.627%0.26720%0.201SC..SBendtrans-108.4116.8177174.30000107.8P157 I159 C197 G201 Y203 L283 P286P157-V199 HydrophobicContact CB-CG1 4.21Å; P157-V199 HydrophobicContact CB-CG2 4.12Å; P157-V199 HydrophobicContact CG-CG1 3.84Å; I159-V199 HydrophobicContact CD1-CB 3.84Å; I159-V199 HydrophobicContact CD1-CG2 3.84Å; C197-V199 PolarHBondContact SG-O 3.09Å; V199-G201 PolarHBondContact O-N 2.95Å; V199-Y203 WeakPolarHBondContact O-CE2 3.4Å; V199-Y203 PolarHBondContact O-OH 2.82Å; V199-L283 HydrophobicContact CG1-CD2 4.41Å; V199-P286 HydrophobicContact CG1-CB 4.11Å
200R98.3Very high98.5Very high115 Ų11537.5 Ų37.543%0.43419%0.194SC..  trans-62.4136176.3-178-179.8153.398.412.5110H252 L253 D254 D287R200-H252 PolarHBondContact NH2-CE1 2.71Å; R200-H252 VanDerWaalsContact NH2-CE1 3.33Å; R200-H252 PolarHBondContact NH2-NE2 3.22Å; R200-L253 VanDerWaalsContact CA-O 3.29Å; R200-L253 WeakPolarHBondContact CA-O 3.4Å; R200-L253 WeakPolarHBondContact CG-O 3.21Å; R200-D254 VanDerWaalsContact CD-OD1 3.26Å; R200-D254 WeakPolarHBondContact CD-OD1 3.35Å; R200-D254 IonicContact CZ-OD1 2.7Å; R200-D254 IonicContact NE-OD1 2.93Å; R200-D254 IonicContact NH1-OD1 2.67Å; R200-D254 PolarHBondContact NH1-OD1 2.99Å; R200-D254 IonicContact NH1-OD2 3.74Å; R200-D287 HydrophobicContact CG-CB 4.14Å; R200-D287 IonicContact CZ-OD2 2.77Å; R200-D287 IonicContact NE-OD2 2.65Å; R200-D287 PolarHBondContact NE-OD2 2.88Å; R200-D287 IonicContact NH2-OD2 2.95Å; R200-D287 PolarHBondContact NH2-OD2 3.35Å; R200-D287 PolarHBondContact O-N 3.17Å; R200-D287 VanDerWaalsContact O-N 3.08Å
201G98.3Very high98.5Very high0 Ų035.4 Ų35.40%018%0.181CC..EExtended strand (participates in β ladder)trans170-177.1-17500000115.5V199 Y203 H252 L253 Y285 D287V199-G201 PolarHBondContact O-N 2.95Å; G201-Y203 WeakPolarHBondContact O-CD2 3.38Å; G201-H252 WeakPolarHBondContact O-CA 3.41Å; G201-L253 PolarHBondContact N-O 3.31Å; G201-L253 PolarHBondContact O-N 3.05Å; G201-Y285 CarbonylContact C-O 3.6Å; G201-Y285 VanDerWaalsContact CA-O 3.29Å; G201-Y285 WeakPolarHBondContact CA-O 3.34Å; G201-D287 WeakPolarHBondContact CA-OD1 3.48Å
202I98.6Very high98.3Very high52 Ų5235.1 Ų35.127%0.26717%0.169SC..EExtended strand (participates in β ladder)trans-92.6124.8172.4-55.4-65.8000109.7V250 H252 L284 Y285I202-V250 HydrophobicContact CG2-CG1 3.48Å; I202-V250 VanDerWaalsContact CG2-CG1 3.48Å; I202-H252 HydrophobicContact CD1-CB 3.82Å; I202-L284 HydrophobicContact CG2-CB 4.39Å; I202-L284 HydrophobicContact CG2-CD1 4.08Å; I202-L284 WeakPolarHBondContact O-CB 3.44Å; I202-L284 PolarHBondContact O-N 3.47Å; I202-Y285 HydrophobicContact CB-CD2 4.38Å; I202-Y285 PolarHBondContact N-O 2.94Å; I202-Y285 PolarHBondContact O-N 2.81Å
203Y98.9Very high98Very high0 Ų032.9 Ų32.90%016%0.156CC..EExtended strand (participates in β ladder)trans-120.5144.5-178.8-72.9-95.5000111.6I159 F195 V199 G201 F205 V250 L251 L253 F282 L283I159-Y203 HydrophobicContact CB-CE1 4.44Å; I159-Y203 HydrophobicContact CD1-CE1 4.46Å; I159-Y203 WeakPolarHBondContact CD1-OH 3.3Å; I159-Y203 HydrophobicContact CG2-CE1 4.11Å; F195-Y203 HydrophobicContact CE1-CD1 4.31Å; F195-Y203 HydrophobicContact CE1-CE1 4.09Å; F195-Y203 HydrophobicContact CE2-CE1 4.47Å; F195-Y203 AromaticContact CZ-CD1 3.96Å; F195-Y203 HydrophobicContact CZ-CD1 3.96Å; F195-Y203 AromaticContact CZ-CE1 3.51Å; F195-Y203 HydrophobicContact CZ-CE1 3.51Å; V199-Y203 WeakPolarHBondContact O-CE2 3.4Å; V199-Y203 PolarHBondContact O-OH 2.82Å; G201-Y203 WeakPolarHBondContact O-CD2 3.38Å; Y203-F205 VanDerWaalsContact CB-CE2 3.45Å; Y203-F205 HydrophobicContact CD1-CZ 4.44Å; Y203-F205 HydrophobicContact CG-CE2 4.33Å; Y203-F205 HydrophobicContact CG-CZ 4.36Å; Y203-V250 CarbonylContact O-C 3.59Å; Y203-V250 VanDerWaalsContact O-CA 3.31Å; Y203-V250 WeakPolarHBondContact O-CA 3.15Å; Y203-L251 PolarHBondContact N-O 3.14Å; Y203-L251 PolarHBondContact O-N 3.13Å; Y203-L253 HydrophobicContact CD2-CB 3.84Å; Y203-L253 HydrophobicContact CD2-CD1 3.66Å; Y203-L253 HydrophobicContact CD2-CG 3.8Å; Y203-L253 HydrophobicContact CE2-CB 4.03Å; Y203-L253 HydrophobicContact CE2-CD1 4.13Å; Y203-L253 HydrophobicContact CE2-CG 4.41Å; Y203-L253 HydrophobicContact CG-CD1 3.9Å; Y203-L253 HydrophobicContact CG-CG 4.37Å; Y203-F282 WeakPolarHBondContact CA-O 3.39Å; Y203-L283 HydrophobicContact CD1-CB 4.08Å; Y203-L283 HydrophobicContact CD1-CD1 4.27Å; Y203-L283 HydrophobicContact CD2-CD1 4.04Å; Y203-L283 HydrophobicContact CE1-CB 3.69Å; Y203-L283 HydrophobicContact CE1-CD1 3.85Å; Y203-L283 HydrophobicContact CE1-CG 4.37Å; Y203-L283 HydrophobicContact CE2-CD1 3.62Å; Y203-L283 HydrophobicContact CG-CD1 4.36Å
204F98.9Very high97.5Very high51 Ų5134.7 Ų34.722%0.22418%0.175CC..EExtended strand (participates in β ladder)trans-100.2142.1165.7173.8-93.8000110T206 V250 G281 F282 L284F204-T206 HydrophobicContact CE1-CG2 3.8Å; F204-T206 HydrophobicContact CZ-CG2 4.21Å; F204-V250 HydrophobicContact CD2-CG2 3.99Å; F204-G281 CarbonylContact O-C 3.2Å; F204-G281 WeakPolarHBondContact O-CA 3.39Å; F204-F282 HydrophobicContact CB-CE1 4.31Å; F204-F282 HydrophobicContact CB-CE2 4.27Å; F204-F282 HydrophobicContact CB-CZ 4.09Å; F204-F282 HydrophobicContact CD1-CD1 4.11Å; F204-F282 AromaticContact CD1-CE1 3.4Å; F204-F282 HydrophobicContact CD1-CE1 3.4Å; F204-F282 AromaticContact CD1-CZ 3.74Å; F204-F282 HydrophobicContact CD1-CZ 3.74Å; F204-F282 HydrophobicContact CE1-CE1 4.08Å; F204-F282 HydrophobicContact CG-CE1 4.19Å; F204-F282 HydrophobicContact CG-CZ 4.13Å; F204-F282 PolarHBondContact N-O 2.97Å; F204-F282 PolarHBondContact O-N 3.44Å; F204-L284 HydrophobicContact CB-CD1 4.13Å; F204-L284 HydrophobicContact CB-CG 4.28Å
205F98.9Very high96.9Very high0 Ų038.1 Ų38.10%020%0.195CC..EExtended strand (participates in β ladder)trans-135.2144.8171.4-62.1-87.2000111F161 F195 Y203 L223 S248 V249 L251 L253 V259 F279 S280F161-F205 HydrophobicContact CE1-CD1 4.09Å; F161-F205 AromaticContact CE1-CE1 3.81Å; F161-F205 HydrophobicContact CE1-CE1 3.81Å; F161-F205 HydrophobicContact CZ-CD1 4.04Å; F161-F205 HydrophobicContact CZ-CE1 4.09Å; F195-F205 HydrophobicContact CB-CE1 4.31Å; F195-F205 AromaticContact CD1-CE1 3.93Å; F195-F205 HydrophobicContact CD1-CE1 3.93Å; F195-F205 AromaticContact CD1-CZ 3.82Å; F195-F205 HydrophobicContact CD1-CZ 3.82Å; F195-F205 HydrophobicContact CE1-CE1 4.41Å; F195-F205 HydrophobicContact CE1-CZ 4Å; F195-F205 AromaticContact CG-CE1 3.99Å; F195-F205 HydrophobicContact CG-CE1 3.99Å; F195-F205 HydrophobicContact CG-CZ 4.35Å; Y203-F205 VanDerWaalsContact CB-CE2 3.45Å; Y203-F205 HydrophobicContact CD1-CZ 4.44Å; Y203-F205 HydrophobicContact CG-CE2 4.33Å; Y203-F205 HydrophobicContact CG-CZ 4.36Å; F205-L223 HydrophobicContact CB-CD1 3.6Å; F205-L223 HydrophobicContact CG-CD1 4.21Å; F205-S248 CarbonylContact O-C 3.59Å; F205-S248 WeakPolarHBondContact O-CA 3.23Å; F205-S248 VanDerWaalsContact O-CB 3.31Å; F205-S248 WeakPolarHBondContact O-CB 3.34Å; F205-V249 HydrophobicContact CB-CG1 4.19Å; F205-V249 PolarHBondContact N-O 2.93Å; F205-V249 PolarHBondContact O-N 2.99Å; F205-L251 HydrophobicContact CD2-CD1 4.4Å; F205-L253 HydrophobicContact CE2-CD1 3.86Å; F205-L253 HydrophobicContact CZ-CD1 3.73Å; F205-V259 HydrophobicContact CD1-CG1 4.06Å; F205-V259 HydrophobicContact CD2-CG1 4.32Å; F205-V259 HydrophobicContact CE1-CB 4.09Å; F205-V259 HydrophobicContact CE1-CG1 3.94Å; F205-V259 HydrophobicContact CE1-CG2 4.49Å; F205-V259 HydrophobicContact CE2-CB 4.48Å; F205-V259 HydrophobicContact CE2-CG1 4.21Å; F205-V259 HydrophobicContact CE2-CG2 4.12Å; F205-V259 HydrophobicContact CG-CG1 4.25Å; F205-V259 HydrophobicContact CZ-CB 4Å; F205-V259 HydrophobicContact CZ-CG1 4.04Å; F205-V259 HydrophobicContact CZ-CG2 3.89Å; F205-F279 HydrophobicContact CB-CE2 4.26Å; F205-F279 AromaticContact CD1-CE2 3.96Å; F205-F279 HydrophobicContact CD1-CE2 3.96Å; F205-F279 AromaticContact CD1-CZ 3.94Å; F205-F279 HydrophobicContact CD1-CZ 3.94Å; F205-S280 WeakPolarHBondContact CA-O 3.18Å
206T98.9Very high96.2Very high24 Ų2439.8 Ų39.815%0.14721%0.212CC..EExtended strand (participates in β ladder)trans-142.9145.4169.6-167.60000110.6F204 H208 N247 F279 S280F204-T206 HydrophobicContact CE1-CG2 3.8Å; F204-T206 HydrophobicContact CZ-CG2 4.21Å; T206-H208 PolarHBondContact OG1-NE2 2.58Å; T206-N247 WeakPolarHBondContact CA-O 3.32Å; T206-N247 PolarHBondContact OG1-O 2.88Å; T206-F279 WeakPolarHBondContact O-CD2 3.38Å; T206-S280 VanDerWaalsContact CG2-OG 3.3Å; T206-S280 WeakPolarHBondContact CG2-OG 3.42Å; T206-S280 PolarHBondContact N-O 3.47Å; T206-S280 PolarHBondContact O-N 3.07Å
207Y98.9Very high95.8Very high0 Ų041 Ų410%022%0.217CC..EExtended strand (participates in β ladder)trans-134.3149174.463.3-96.4000110.8I209 A221 L223 A233 S246 N247 V261 T278Y207-I209 HydrophobicContact CD2-CD1 4.32Å; Y207-I209 HydrophobicContact CD2-CG1 3.96Å; Y207-A221 HydrophobicContact CD2-CB 4.35Å; Y207-A221 HydrophobicContact CE2-CB 3.83Å; Y207-A221 PolarHBondContact OH-O 3.22Å; Y207-L223 HydrophobicContact CD1-CB 3.95Å; Y207-L223 HydrophobicContact CD1-CD1 4.11Å; Y207-L223 HydrophobicContact CE1-CB 3.58Å; Y207-L223 HydrophobicContact CE1-CD1 4.43Å; Y207-A233 HydrophobicContact CE2-CB 4.18Å; Y207-A233 PolarHBondContact OH-N 2.9Å; Y207-S246 VanDerWaalsContact O-CA 3.27Å; Y207-S246 WeakPolarHBondContact O-CA 3.45Å; Y207-N247 WeakPolarHBondContact CD1-O 3.18Å; Y207-N247 HydrophobicContact CE1-CB 3.82Å; Y207-N247 HydrophobicContact CE2-CB 4.17Å; Y207-N247 PolarHBondContact N-O 2.82Å; Y207-N247 PolarHBondContact O-N 2.89Å; Y207-N247 VanDerWaalsContact OH-CB 3.26Å; Y207-N247 WeakPolarHBondContact OH-CB 3.44Å; Y207-V261 HydrophobicContact CD1-CG2 4.3Å; Y207-V261 HydrophobicContact CG-CG2 4.22Å; Y207-T278 WeakPolarHBondContact CA-O 3.26Å
208H98.9Very high95.6Very high77 Ų7742.6 Ų42.636%0.35623%0.229SC..EExtended strand (participates in β ladder)trans-137.9105.2173.6-59.1-78.3000107.4T206 Y244 S246 S277 T278T206-H208 PolarHBondContact OG1-NE2 2.58Å; H208-Y244 HydrophobicContact CB-CD1 4.12Å; H208-Y244 HydrophobicContact CB-CE1 4.04Å; H208-S246 WeakPolarHBondContact CA-OG 3.44Å; H208-S246 VanDerWaalsContact ND1-CB 3.34Å; H208-S246 WeakPolarHBondContact ND1-CB 3.26Å; H208-S246 PolarHBondContact ND1-OG 3.29Å; H208-S277 CarbonylContact O-C 3.55Å; H208-S277 VanDerWaalsContact O-CA 3.31Å; H208-S277 WeakPolarHBondContact O-CA 3.36Å; H208-T278 PolarHBondContact N-O 2.97Å; H208-T278 PolarHBondContact O-N 3.33Å
209I98.8Very high95.6Very high0 Ų037 Ų370%020%0.203CC..EExtended strand (participates in β ladder)trans-109111-176.9-41.7-53.1000109L175 F177 Y207 M211 A221 Y244 A245 V261 L263 A268L175-I209 HydrophobicContact CD2-CD1 3.93Å; L175-I209 HydrophobicContact CD2-CG1 4.46Å; L175-I209 HydrophobicContact CD2-CG2 4.11Å; F177-I209 HydrophobicContact CE1-CD1 3.91Å; F177-I209 HydrophobicContact CZ-CD1 3.53Å; Y207-I209 HydrophobicContact CD2-CD1 4.32Å; Y207-I209 HydrophobicContact CD2-CG1 3.96Å; I209-M211 HydrophobicContact CB-CG 3.95Å; I209-M211 HydrophobicContact CG2-CG 3.5Å; I209-M211 HydrophobicContact CG2-SD 4.4Å; I209-M211 PolarHBondContact O-N 2.62Å; I209-M211 VanDerWaalsContact O-N 3.14Å; I209-A221 HydrophobicContact CG1-CB 3.88Å; I209-Y244 WeakPolarHBondContact O-CA 3.28Å; I209-A245 PolarHBondContact N-O 2.99Å; I209-A245 PolarHBondContact O-N 3.02Å; I209-V261 HydrophobicContact CD1-CG1 4.36Å; I209-V261 HydrophobicContact CG1-CG1 4.4Å; I209-L263 HydrophobicContact CG1-CD2 4.4Å; I209-L263 HydrophobicContact CG2-CD2 4.14Å; I209-A268 HydrophobicContact CG2-CB 3.5Å
210L98.5Very high95.6Very high28 Ų2838.8 Ų38.815%0.14721%0.205CC..EExtended strand (participates in β ladder)trans-68.5106.3161176.262.9000107.8Y242 Y244 A268 H269 Y276 S277L210-Y242 HydrophobicContact CD1-CD1 4.21Å; L210-Y242 HydrophobicContact CG-CD1 4.4Å; L210-Y244 HydrophobicContact CB-CE1 4.15Å; L210-Y244 HydrophobicContact CB-CE2 4.1Å; L210-Y244 HydrophobicContact CD1-CD2 4.19Å; L210-Y244 HydrophobicContact CD1-CE2 3.93Å; L210-A268 CarbonylContact O-C 3.56Å; L210-A268 WeakPolarHBondContact O-CA 3.44Å; L210-H269 HydrophobicContact CD2-CB 4.05Å; L210-H269 HydrophobicContact CG-CB 4.14Å; L210-H269 PolarHBondContact O-N 3.19Å; L210-Y276 HydrophobicContact CD2-CD2 3.84Å; L210-Y276 HydrophobicContact CD2-CG 4Å; L210-S277 PolarHBondContact N-OG 3.47Å; L210-S277 PolarHBondContact O-OG 3.05Å
211M97.3Very high95.7Very high0 Ų033.3 Ų33.30%018%0.184CC..EExtended strand (participates in β ladder)trans-101.7155.1-179.6-67.5-173.468.600111.2I209 M219 A221 Y242 D243 A245 L263 D264 K267I209-M211 HydrophobicContact CB-CG 3.95Å; I209-M211 HydrophobicContact CG2-CG 3.5Å; I209-M211 HydrophobicContact CG2-SD 4.4Å; I209-M211 PolarHBondContact O-N 2.62Å; I209-M211 VanDerWaalsContact O-N 3.14Å; M211-M219 HydrophobicContact CB-CG 4.29Å; M211-M219 HydrophobicContact CB-SD 3.54Å; M211-M219 VanDerWaalsContact CB-SD 3.54Å; M211-M219 HydrophobicContact CE-CB 3.99Å; M211-M219 HydrophobicContact CE-CG 4.26Å; M211-M219 HydrophobicContact SD-CG 4.38Å; M211-A221 HydrophobicContact SD-CB 4.19Å; M211-Y242 WeakPolarHBondContact O-CA 3.48Å; M211-D243 PolarHBondContact N-O 2.85Å; M211-D243 PolarHBondContact O-N 3.24Å; M211-A245 HydrophobicContact CG-CB 4.4Å; M211-A245 HydrophobicContact SD-CB 3.62Å; M211-L263 HydrophobicContact CE-CB 4.01Å; M211-L263 HydrophobicContact CE-CD1 4.25Å; M211-L263 HydrophobicContact CE-CD2 4.03Å; M211-L263 HydrophobicContact CE-CG 4.31Å; M211-L263 HydrophobicContact SD-CD2 4Å; M211-D264 WeakPolarHBondContact CE-O 3.43Å; M211-K267 CarbonylContact C-O 3.53Å; M211-K267 WeakPolarHBondContact CA-O 3.48Å
212R95.7Very high95.7Very high92 Ų9234.1 Ų34.135%0.34719%0.188SC..EExtended strand (participates in β ladder)trans-121.5114.6165.1-163.6-168.7-179.8-116.6-5.9110.7N241 Y242 G266 K267 H269R212-N241 CarbonylContact C-O 3.55Å; R212-N241 WeakPolarHBondContact CA-O 3.41Å; R212-N241 HydrophobicContact CG-CB 3.83Å; R212-N241 WeakPolarHBondContact CG-O 3.17Å; R212-N241 PolarHBondContact NH2-OD1 3.08Å; R212-Y242 HydrophobicContact CB-CD1 3.83Å; R212-Y242 HydrophobicContact CB-CE1 3.65Å; R212-Y242 HydrophobicContact CG-CD1 4.01Å; R212-Y242 HydrophobicContact CG-CD2 4.3Å; R212-Y242 HydrophobicContact CG-CE1 3.81Å; R212-Y242 HydrophobicContact CG-CE2 4.1Å; R212-Y242 HydrophobicContact CG-CG 4.27Å; R212-G266 CarbonylContact O-C 3.54Å; R212-G266 WeakPolarHBondContact O-CA 3.29Å; R212-K267 HydrophobicContact CB-CG 4.27Å; R212-K267 PolarHBondContact N-O 3.29Å; R212-K267 PolarHBondContact O-N 3.39Å; R212-H269 WeakPolarHBondContact CB-NE2 3.35Å
213G90.8Very high95.7Very high6 Ų631.6 Ų31.66%0.06218%0.176CC..EExtended strand (participates in β ladder)trans-103.8-179.9177.200000113.4M219 N241 G265G213-M219 PolarHBondContact N-SD 2.98Å; G213-M219 VanDerWaalsContact N-SD 3.37Å; G213-N241 PolarHBondContact N-O 3.12Å; G213-N241 PolarHBondContact O-ND2 2.78Å; G213-G265 WeakPolarHBondContact CA-O 3.37Å
214G88.8Confident95.7Very high37 Ų3731.8 Ų31.838%0.38118%0.177SC..  trans-85.8154.1169.900000112.4G216 T217G214-G216 PolarHBondContact O-N 3.01Å; G214-T217 VanDerWaalsContact C-OG1 3.27Å; G214-T217 WeakPolarHBondContact CA-OG1 3.26Å; G214-T217 PolarHBondContact N-OG1 3.02Å; G214-T217 PolarHBondContact O-N 2.84Å; G214-T217 PolarHBondContact O-OG1 3Å
215D85.9Confident95.7Very high112 Ų11231.3 Ų31.360%0.59917%0.174SC*.THydrogen-bonded Turntrans-55.1126.1-177.7-51.3-17.4000111.3T217 N241D215-T217 PolarHBondContact O-N 3.34Å; D215-T217 VanDerWaalsContact O-N 3.14Å; D215-N241 PolarHBondContact OD1-ND2 2.83Å
216G85.2Confident95.7Very high34 Ų3435.5 Ų35.535%0.35120%0.197SC..THydrogen-bonded Turntrans70.1-0.1-179.600000115.9G214 Q236 D237 A238G214-G216 PolarHBondContact O-N 3.01Å; G216-Q236 PolarHBondContact O-NE2 3.3Å; G216-D237 VanDerWaalsContact CA-O 3.26Å; G216-D237 WeakPolarHBondContact CA-O 3.14Å; G216-D237 PolarHBondContact N-O 3.32Å; G216-D237 VanDerWaalsContact N-O 3.14Å; G216-A238 PolarHBondContact N-O 2.96Å
217T90.4Very high95.6Very high67 Ų6736.7 Ų36.741%0.41121%0.214SC..  trans-95.7141.1-179.763.70000112G214 D215G214-T217 VanDerWaalsContact C-OG1 3.27Å; G214-T217 WeakPolarHBondContact CA-OG1 3.26Å; G214-T217 PolarHBondContact N-OG1 3.02Å; G214-T217 PolarHBondContact O-N 2.84Å; G214-T217 PolarHBondContact O-OG1 3Å; D215-T217 PolarHBondContact O-N 3.34Å; D215-T217 VanDerWaalsContact O-N 3.14Å
218S93.9Very high95.6Very high37 Ų3742.5 Ų42.526%0.25924%0.241SC..  trans-73.8142.2173.2-31.90000110.6A235 Q236S218-A235 WeakPolarHBondContact CA-O 3.38Å; S218-Q236 VanDerWaalsContact OG-CD 3.27Å; S218-Q236 PolarHBondContact OG-OE1 3.07Å
219M96.3Very high95.6Very high2 Ų242.3 Ų42.31%0.0125%0.245CC..EExtended strand (participates in β ladder)trans-129.5148.8172.869.7-167.6106.100109.4M211 G213 I234 A235 D264M211-M219 HydrophobicContact CB-CG 4.29Å; M211-M219 HydrophobicContact CB-SD 3.54Å; M211-M219 VanDerWaalsContact CB-SD 3.54Å; M211-M219 HydrophobicContact CE-CB 3.99Å; M211-M219 HydrophobicContact CE-CG 4.26Å; M211-M219 HydrophobicContact SD-CG 4.38Å; G213-M219 PolarHBondContact N-SD 2.98Å; G213-M219 VanDerWaalsContact N-SD 3.37Å; M219-I234 WeakPolarHBondContact O-CA 3.38Å; M219-A235 HydrophobicContact CG-CB 4.16Å; M219-A235 PolarHBondContact N-O 3.09Å; M219-A235 PolarHBondContact O-N 2.89Å; M219-D264 WeakPolarHBondContact CA-O 3.26Å
220W98.1Very high95.6Very high81 Ų8148 Ų4831%0.30727%0.267SS..EExtended strand (participates in β ladder)trans-146.7156.9179.456.389.6000113.4A233 I234 L263 D264W220-A233 CarbonylContact C-O 3.41Å; W220-A233 WeakPolarHBondContact CA-O 3.3Å; W220-A233 WeakPolarHBondContact CB-O 3.43Å; W220-I234 HydrophobicContact CB-CB 4.17Å; W220-I234 HydrophobicContact CB-CG1 4.31Å; W220-I234 HydrophobicContact CE3-CD1 4.15Å; W220-I234 HydrophobicContact CE3-CG1 4.33Å; W220-L263 CarbonylContact O-C 3.6Å; W220-L263 WeakPolarHBondContact O-CA 3.45Å; W220-D264 HydrophobicContact CD2-CB 4.07Å; W220-D264 VanDerWaalsContact CE2-CB 3.43Å; W220-D264 HydrophobicContact CG-CB 4.41Å; W220-D264 HydrophobicContact CH2-CB 4.42Å; W220-D264 HydrophobicContact CZ2-CB 3.63Å; W220-D264 PolarHBondContact N-O 3.46Å; W220-D264 VanDerWaalsContact N-O 3.09Å; W220-D264 PolarHBondContact O-N 3.25Å
221A98.8Very high95.6Very high0 Ų047.3 Ų47.30%027%0.265CS..EExtended strand (participates in β ladder)trans-118.9132.9169.100000109.5Y207 I209 M211 S232 A233 A245 V261 K262 L263Y207-A221 HydrophobicContact CD2-CB 4.35Å; Y207-A221 HydrophobicContact CE2-CB 3.83Å; Y207-A221 PolarHBondContact OH-O 3.22Å; I209-A221 HydrophobicContact CG1-CB 3.88Å; M211-A221 HydrophobicContact SD-CB 4.19Å; A221-S232 WeakPolarHBondContact O-CA 2.97Å; A221-A233 PolarHBondContact N-O 2.77Å; A221-A233 PolarHBondContact O-N 2.99Å; A221-A245 HydrophobicContact CB-CB 3.6Å; A221-V261 HydrophobicContact CB-CG1 4.19Å; A221-K262 CarbonylContact C-O 3.52Å; A221-K262 WeakPolarHBondContact CA-O 3.13Å; A221-L263 HydrophobicContact CB-CD2 3.68Å
222D98.9Very high95.6Very high16 Ų1649.9 Ų49.99%0.08628%0.283CS..EExtended strand (participates in β ladder)trans-116.7127-179.6-71.3-28.5000109.6V229 S232 V261 K262D222-V229 HydrophobicContact CB-CG1 3.93Å; D222-V229 HydrophobicContact CB-CG2 3.94Å; D222-S232 WeakPolarHBondContact OD1-CB 3.33Å; D222-S232 PolarHBondContact OD1-OG 2.87Å; D222-V261 CarbonylContact O-C 3.57Å; D222-V261 VanDerWaalsContact O-CA 3.3Å; D222-V261 WeakPolarHBondContact O-CA 3.3Å; D222-K262 PolarHBondContact N-O 3.35Å; D222-K262 PolarHBondContact O-N 2.81Å
223L98.9Very high95.8Very high0 Ų046.2 Ų46.20%027%0.272CS..EExtended strand (participates in β ladder)trans-85.9118.7163.4-178.7155.6000108.8F205 Y207 R230 A231 V249 L251 V259 Y260 F279F205-L223 HydrophobicContact CB-CD1 3.6Å; F205-L223 HydrophobicContact CG-CD1 4.21Å; Y207-L223 HydrophobicContact CD1-CB 3.95Å; Y207-L223 HydrophobicContact CD1-CD1 4.11Å; Y207-L223 HydrophobicContact CE1-CB 3.58Å; Y207-L223 HydrophobicContact CE1-CD1 4.43Å; L223-R230 HydrophobicContact CD2-CB 4.17Å; L223-R230 PolarHBondContact O-N 2.97Å; L223-A231 PolarHBondContact N-O 2.89Å; L223-A231 PolarHBondContact O-N 2.93Å; L223-V249 HydrophobicContact CD1-CG1 3.97Å; L223-V249 HydrophobicContact CD2-CG1 3.87Å; L223-L251 HydrophobicContact CD2-CD1 4.01Å; L223-V259 HydrophobicContact CD1-CG1 4.13Å; L223-V259 HydrophobicContact CD2-CG1 3.67Å; L223-V259 HydrophobicContact CG-CG1 3.9Å; L223-Y260 CarbonylContact C-O 3.55Å; L223-Y260 WeakPolarHBondContact CA-O 3.4Å; L223-F279 HydrophobicContact CD1-CE2 3.89Å; L223-F279 HydrophobicContact CD1-CZ 4.39Å
224C98.9Very high96.1Very high4 Ų451.4 Ų51.43%0.02730%0.297CS..EExtended strand (participates in β ladder)trans-103.3143-178.4-62.10000111.1Q228 V259 Y260C224-Q228 CarbonylContact C-O 3.48Å; C224-Q228 VanDerWaalsContact CA-O 3.28Å; C224-Q228 WeakPolarHBondContact CA-O 3.31Å; C224-V259 VanDerWaalsContact O-CA 3.3Å; C224-V259 WeakPolarHBondContact O-CA 3.2Å; C224-Y260 HydrophobicContact CB-CD1 4.5Å; C224-Y260 HydrophobicContact CB-CD2 4.06Å; C224-Y260 HydrophobicContact CB-CE1 4.13Å; C224-Y260 HydrophobicContact CB-CE2 3.64Å; C224-Y260 HydrophobicContact CB-CG 4.48Å; C224-Y260 PolarHBondContact N-O 3.23Å; C224-Y260 PolarHBondContact O-N 2.91Å; C224-Y260 VanDerWaalsContact O-N 3.1Å
225K98.8Very high96.4Very high40 Ų4050 Ų5017%0.17428%0.282CS..EExtended strand (participates in β ladder)trans-115.6117.9163.1178.3-174.5178.2172.90107.6G227 Q228 R230 H252 L253 D257 E258K225-G227 PolarHBondContact O-N 3.46Å; K225-G227 VanDerWaalsContact O-N 3.15Å; K225-Q228 PolarHBondContact N-O 2.96Å; K225-Q228 PolarHBondContact O-N 3.34Å; K225-R230 HydrophobicContact CB-CG 3.51Å; K225-H252 PolarHBondContact NZ-O 3.29Å; K225-L253 HydrophobicContact CD-CD2 3.73Å; K225-L253 HydrophobicContact CG-CD2 4.19Å; K225-D257 WeakPolarHBondContact CE-OD2 3.31Å; K225-D257 IonicContact NZ-OD2 2.75Å; K225-D257 PolarHBondContact NZ-OD2 3.42Å; K225-E258 WeakPolarHBondContact CA-O 3.08Å
226N98.3Very high96.8Very high88 Ų8850 Ų5047%0.47128%0.278SS..THydrogen-bonded Turntrans47.941.2-179.1-55.1-13.5000113.7Q228 D257 E258N226-Q228 VanDerWaalsContact C-N 3.31Å; N226-Q228 PolarHBondContact O-N 3.29Å; N226-D257 PolarHBondContact ND2-OD1 2.77Å; N226-D257 WeakPolarHBondContact OD1-CA 3.5Å; N226-E258 PolarHBondContact N-O 2.82Å; N226-E258 PolarHBondContact OD1-N 3.36Å; N226-E258 PolarHBondContact OD1-O 2.81Å
227G97.3Very high96.9Very high49 Ų4950.7 Ų50.751%0.50527%0.274SS..THydrogen-bonded Turntrans80.7-5.5-177.500000116.2K225 Y260K225-G227 PolarHBondContact O-N 3.46Å; K225-G227 VanDerWaalsContact O-N 3.15Å; G227-Y260 WeakPolarHBondContact CA-OH 3.27Å
228Q98.5Very high96.5Very high123 Ų12351.4 Ų51.458%0.57529%0.287SS*.EExtended strand (participates in β ladder)trans-93.9126.5171.2-65.6-167-9.900111.5C224 K225 N226 R230C224-Q228 CarbonylContact C-O 3.48Å; C224-Q228 VanDerWaalsContact CA-O 3.28Å; C224-Q228 WeakPolarHBondContact CA-O 3.31Å; K225-Q228 PolarHBondContact N-O 2.96Å; K225-Q228 PolarHBondContact O-N 3.34Å; N226-Q228 VanDerWaalsContact C-N 3.31Å; N226-Q228 PolarHBondContact O-N 3.29Å; Q228-R230 WeakPolarHBondContact O-CD 3.34Å; Q228-R230 WeakPolarHBondContact O-CG 3.24Å; Q228-R230 PolarHBondContact O-N 3.37Å; Q228-R230 VanDerWaalsContact OE1-NH1 3.13Å
229V98.8Very high95.8Very high72 Ų7256.6 Ų56.644%0.43631%0.311SS..EExtended strand (participates in β ladder)trans-61.6128.4171.5-177.70000110D222D222-V229 HydrophobicContact CB-CG1 3.93Å; D222-V229 HydrophobicContact CB-CG2 3.94Å
230R98.8Very high94.8Very high121 Ų12161.5 Ų61.546%0.45733%0.334SS..EExtended strand (participates in β ladder)trans-113.6-27.5179.1-51.9-46.9-54.3178.63.4113.1L223 K225 Q228 L251L223-R230 HydrophobicContact CD2-CB 4.17Å; L223-R230 PolarHBondContact O-N 2.97Å; K225-R230 HydrophobicContact CB-CG 3.51Å; Q228-R230 WeakPolarHBondContact O-CD 3.34Å; Q228-R230 WeakPolarHBondContact O-CG 3.24Å; Q228-R230 PolarHBondContact O-N 3.37Å; Q228-R230 VanDerWaalsContact OE1-NH1 3.13Å; R230-L251 HydrophobicContact CB-CD1 4.21Å; R230-L251 HydrophobicContact CB-CD2 4.13Å; R230-L251 HydrophobicContact CG-CD1 4.12Å; R230-L251 HydrophobicContact CG-CD2 4.28Å
231A98.8Very high94.1Very high13 Ų1359.5 Ų59.511%0.10733%0.33CS..EExtended strand (participates in β ladder)trans-150.5142.3171.200000109.3L223 N247 V249L223-A231 PolarHBondContact N-O 2.89Å; L223-A231 PolarHBondContact O-N 2.93Å; A231-N247 HydrophobicContact CB-CB 4.42Å; A231-V249 HydrophobicContact CB-CB 4.14Å
232S98.8Very high94Very high54 Ų5464.1 Ų64.138%0.37835%0.348SS..EExtended strand (participates in β ladder)trans-131.9149.9-178-172.30000110.1A221 D222 N247A221-S232 WeakPolarHBondContact O-CA 2.97Å; D222-S232 WeakPolarHBondContact OD1-CB 3.33Å; D222-S232 PolarHBondContact OD1-OG 2.87Å; S232-N247 PolarHBondContact O-ND2 3.14Å
233A98.6Very high93.9Very high14 Ų1466.1 Ų66.112%0.11636%0.358CS..EExtended strand (participates in β ladder)trans-136.3127.8170.600000109.6Y207 W220 A221 A245 S246 N247Y207-A233 HydrophobicContact CE2-CB 4.18Å; Y207-A233 PolarHBondContact OH-N 2.9Å; W220-A233 CarbonylContact C-O 3.41Å; W220-A233 WeakPolarHBondContact CA-O 3.3Å; W220-A233 WeakPolarHBondContact CB-O 3.43Å; A221-A233 PolarHBondContact N-O 2.77Å; A221-A233 PolarHBondContact O-N 2.99Å; A233-A245 HydrophobicContact CB-CB 4.08Å; A233-S246 WeakPolarHBondContact CB-O 3.27Å; A233-N247 HydrophobicContact CB-CB 4.28Å
234I97.8Very high93.8Very high116 Ų11670.4 Ų70.460%0.59538%0.375SS*.EExtended strand (participates in β ladder)trans-115140.4-177.4-170.4169.3000110.4M219 W220M219-I234 WeakPolarHBondContact O-CA 3.38Å; W220-I234 HydrophobicContact CB-CB 4.17Å; W220-I234 HydrophobicContact CB-CG1 4.31Å; W220-I234 HydrophobicContact CE3-CD1 4.15Å; W220-I234 HydrophobicContact CE3-CG1 4.33Å
235A94.6Very high93.8Very high7 Ų770.2 Ų70.26%0.05837%0.374CS..EExtended strand (participates in β ladder)trans-130.4147.2172.900000109.8S218 M219 D243S218-A235 WeakPolarHBondContact CA-O 3.38Å; M219-A235 HydrophobicContact CG-CB 4.16Å; M219-A235 PolarHBondContact N-O 3.09Å; M219-A235 PolarHBondContact O-N 2.89Å; A235-D243 HydrophobicContact CB-CB 3.95Å; A235-D243 VanDerWaalsContact CB-OD2 3.3Å; A235-D243 WeakPolarHBondContact CB-OD2 3.14Å
236Q93.7Very high93.8Very high113 Ų11370.4 Ų70.453%0.52838%0.38SS..  trans-159.1122.6174.4-177.4176-0.100110.1G216 S218G216-Q236 PolarHBondContact O-NE2 3.3Å; S218-Q236 VanDerWaalsContact OG-CD 3.27Å; S218-Q236 PolarHBondContact OG-OE1 3.07Å
237D88.6Confident93.8Very high48 Ų4869.1 Ų69.126%0.25737%0.374SS..  trans-122.3156.1175-71.1-54.2000110.8G216 Q240G216-D237 VanDerWaalsContact CA-O 3.26Å; G216-D237 WeakPolarHBondContact CA-O 3.14Å; G216-D237 PolarHBondContact N-O 3.32Å; G216-D237 VanDerWaalsContact N-O 3.14Å; D237-Q240 HydrophobicContact CB-CB 3.76Å; D237-Q240 WeakPolarHBondContact CB-O 3.34Å
238A80.8Confident93.9Very high82 Ų8269.5 Ų69.568%0.67837%0.368SS*.SBendtrans-76.1-43.3-179.900000112.6G216G216-A238 PolarHBondContact N-O 2.96Å
239D80.1Confident93.9Very high145 Ų14564.9 Ų64.978%0.77535%0.348SS*.SBendtrans-1380.8-171.661.1-20.6000114
240Q74.9Confident93.9Very high105 Ų10565.4 Ų65.449%0.49135%0.352SS..  trans-99120.4173.7174.1172.6-40.600110.1D237 Y242D237-Q240 HydrophobicContact CB-CB 3.76Å; D237-Q240 WeakPolarHBondContact CB-O 3.34Å; Q240-Y242 WeakPolarHBondContact CG-O 3.02Å; Q240-Y242 PolarHBondContact NE2-O 3.23Å
241N84.6Confident93.9Very high39 Ų3960.5 Ų60.521%0.20934%0.335CS..  trans-79.4-17.1-178.8-68.9131.3000114.6R212 G213 D215R212-N241 CarbonylContact C-O 3.55Å; R212-N241 WeakPolarHBondContact CA-O 3.41Å; R212-N241 HydrophobicContact CG-CB 3.83Å; R212-N241 WeakPolarHBondContact CG-O 3.17Å; R212-N241 PolarHBondContact NH2-OD1 3.08Å; G213-N241 PolarHBondContact N-O 3.12Å; G213-N241 PolarHBondContact O-ND2 2.78Å; D215-N241 PolarHBondContact OD1-ND2 2.83Å
242Y95.2Very high93.9Very high98 Ų9862.8 Ų62.838%0.38434%0.343SS..EExtended strand (participates in β ladder)trans-121.7123.8-168.2-74.2-84.2000111.7L210 M211 R212 Q240 H269L210-Y242 HydrophobicContact CD1-CD1 4.21Å; L210-Y242 HydrophobicContact CG-CD1 4.4Å; M211-Y242 WeakPolarHBondContact O-CA 3.48Å; R212-Y242 HydrophobicContact CB-CD1 3.83Å; R212-Y242 HydrophobicContact CB-CE1 3.65Å; R212-Y242 HydrophobicContact CG-CD1 4.01Å; R212-Y242 HydrophobicContact CG-CD2 4.3Å; R212-Y242 HydrophobicContact CG-CE1 3.81Å; R212-Y242 HydrophobicContact CG-CE2 4.1Å; R212-Y242 HydrophobicContact CG-CG 4.27Å; Q240-Y242 WeakPolarHBondContact CG-O 3.02Å; Q240-Y242 PolarHBondContact NE2-O 3.23Å; Y242-H269 AromaticContact CE1-CD2 3.85Å; Y242-H269 AromaticContact CE1-CE1 3.7Å; Y242-H269 AromaticContact CE1-CG 3.84Å; Y242-H269 AromaticContact CE1-ND1 3.75Å; Y242-H269 AromaticContact CE1-NE2 3.79Å; Y242-H269 AromaticContact CZ-CE1 3.95Å; Y242-H269 PolarHBondContact OH-CE1 3Å; Y242-H269 VanDerWaalsContact OH-CE1 3.29Å
243D96.8Very high93.9Very high57 Ų5760.2 Ų60.231%0.30533%0.325SS..EExtended strand (participates in β ladder)trans-150.1173.6172.3-165.618.9000111.1M211 A235M211-D243 PolarHBondContact N-O 2.85Å; M211-D243 PolarHBondContact O-N 3.24Å; A235-D243 HydrophobicContact CB-CB 3.95Å; A235-D243 VanDerWaalsContact CB-OD2 3.3Å; A235-D243 WeakPolarHBondContact CB-OD2 3.14Å
244Y97.9Very high93.9Very high90 Ų9062.7 Ų62.735%0.35334%0.336SS..EExtended strand (participates in β ladder)trans-100.3118.5180-91.8-92.8000113.4H208 I209 L210 Y276H208-Y244 HydrophobicContact CB-CD1 4.12Å; H208-Y244 HydrophobicContact CB-CE1 4.04Å; I209-Y244 WeakPolarHBondContact O-CA 3.28Å; L210-Y244 HydrophobicContact CB-CE1 4.15Å; L210-Y244 HydrophobicContact CB-CE2 4.1Å; L210-Y244 HydrophobicContact CD1-CD2 4.19Å; L210-Y244 HydrophobicContact CD1-CE2 3.93Å; Y244-Y276 VanDerWaalsContact CE1-O 3.23Å; Y244-Y276 WeakPolarHBondContact CE1-O 3.3Å; Y244-Y276 PolarHBondContact OH-O 3.31Å; Y244-Y276 VanDerWaalsContact OH-O 3.13Å
245A98.3Very high93.9Very high0 Ų061 Ų610%034%0.335CS..EExtended strand (participates in β ladder)trans-88.5108.7159.100000108.9I209 M211 A221 A233I209-A245 PolarHBondContact N-O 2.99Å; I209-A245 PolarHBondContact O-N 3.02Å; M211-A245 HydrophobicContact CG-CB 4.4Å; M211-A245 HydrophobicContact SD-CB 3.62Å; A221-A245 HydrophobicContact CB-CB 3.6Å; A233-A245 HydrophobicContact CB-CB 4.08Å
246S98.8Very high94Very high44 Ų4463.5 Ų63.531%0.30836%0.361SS..EExtended strand (participates in β ladder)trans-133.1134-177.9-58.90000112.4Y207 H208 A233Y207-S246 VanDerWaalsContact O-CA 3.27Å; Y207-S246 WeakPolarHBondContact O-CA 3.45Å; H208-S246 WeakPolarHBondContact CA-OG 3.44Å; H208-S246 VanDerWaalsContact ND1-CB 3.34Å; H208-S246 WeakPolarHBondContact ND1-CB 3.26Å; H208-S246 PolarHBondContact ND1-OG 3.29Å; A233-S246 WeakPolarHBondContact CB-O 3.27Å
247N98.9Very high94.3Very high62 Ų6258.8 Ų58.833%0.33234%0.339SS..EExtended strand (participates in β ladder)trans-154.4167.1169.7-146.9-25.9000111.5T206 Y207 A231 S232 A233T206-N247 WeakPolarHBondContact CA-O 3.32Å; T206-N247 PolarHBondContact OG1-O 2.88Å; Y207-N247 WeakPolarHBondContact CD1-O 3.18Å; Y207-N247 HydrophobicContact CE1-CB 3.82Å; Y207-N247 HydrophobicContact CE2-CB 4.17Å; Y207-N247 PolarHBondContact N-O 2.82Å; Y207-N247 PolarHBondContact O-N 2.89Å; Y207-N247 VanDerWaalsContact OH-CB 3.26Å; Y207-N247 WeakPolarHBondContact OH-CB 3.44Å; A231-N247 HydrophobicContact CB-CB 4.42Å; S232-N247 PolarHBondContact O-ND2 3.14Å; A233-N247 HydrophobicContact CB-CB 4.28Å
248S98.9Very high94.8Very high57 Ų5759.6 Ų59.640%0.39934%0.341SS..EExtended strand (participates in β ladder)trans-135.2157173.362.90000111.8F205F205-S248 CarbonylContact O-C 3.59Å; F205-S248 WeakPolarHBondContact O-CA 3.23Å; F205-S248 VanDerWaalsContact O-CB 3.31Å; F205-S248 WeakPolarHBondContact O-CB 3.34Å
249V98.9Very high95.6Very high25 Ų2555.7 Ų55.715%0.15231%0.309CS..EExtended strand (participates in β ladder)trans-152.8147.6-178.368.90000111.3F205 L223 A231 L251F205-V249 HydrophobicContact CB-CG1 4.19Å; F205-V249 PolarHBondContact N-O 2.93Å; F205-V249 PolarHBondContact O-N 2.99Å; L223-V249 HydrophobicContact CD1-CG1 3.97Å; L223-V249 HydrophobicContact CD2-CG1 3.87Å; A231-V249 HydrophobicContact CB-CB 4.14Å; V249-L251 HydrophobicContact CG1-CD1 3.96Å; V249-L251 HydrophobicContact CG1-CG 3.95Å; V249-L251 HydrophobicContact CG2-CD2 3.76Å; V249-L251 HydrophobicContact CG2-CG 3.91Å
250V98.9Very high96.5Very high84 Ų8450.2 Ų50.251%0.50928%0.278SS..EExtended strand (participates in β ladder)trans-106126.4166.6177.50000108I202 Y203 F204 L284I202-V250 HydrophobicContact CG2-CG1 3.48Å; I202-V250 VanDerWaalsContact CG2-CG1 3.48Å; Y203-V250 CarbonylContact O-C 3.59Å; Y203-V250 VanDerWaalsContact O-CA 3.31Å; Y203-V250 WeakPolarHBondContact O-CA 3.15Å; F204-V250 HydrophobicContact CD2-CG2 3.99Å; V250-L284 HydrophobicContact CG1-CD1 4.23Å; V250-L284 HydrophobicContact CG2-CD1 4.45Å
251L98.8Very high97.7Very high18 Ų1845.2 Ų45.29%0.09425%0.254CS..EExtended strand (participates in β ladder)trans-129.5138.9-176.6-65.6175.7000110.9Y203 F205 L223 R230 V249 L253Y203-L251 PolarHBondContact N-O 3.14Å; Y203-L251 PolarHBondContact O-N 3.13Å; F205-L251 HydrophobicContact CD2-CD1 4.4Å; L223-L251 HydrophobicContact CD2-CD1 4.01Å; R230-L251 HydrophobicContact CB-CD1 4.21Å; R230-L251 HydrophobicContact CB-CD2 4.13Å; R230-L251 HydrophobicContact CG-CD1 4.12Å; R230-L251 HydrophobicContact CG-CD2 4.28Å; V249-L251 HydrophobicContact CG1-CD1 3.96Å; V249-L251 HydrophobicContact CG1-CG 3.95Å; V249-L251 HydrophobicContact CG2-CD2 3.76Å; V249-L251 HydrophobicContact CG2-CG 3.91Å; L251-L253 HydrophobicContact CB-CD2 4.07Å; L251-L253 HydrophobicContact CB-CG 4.48Å; L251-L253 HydrophobicContact CD1-CD2 4.5Å
252H98.7Very high98.3Very high60 Ų6046.7 Ų46.728%0.27826%0.259SS..EExtended strand (participates in β ladder)trans-77.5129.9157.8-174-78.7000109R200 G201 I202 K225 D287R200-H252 PolarHBondContact NH2-CE1 2.71Å; R200-H252 VanDerWaalsContact NH2-CE1 3.33Å; R200-H252 PolarHBondContact NH2-NE2 3.22Å; G201-H252 WeakPolarHBondContact O-CA 3.41Å; I202-H252 HydrophobicContact CD1-CB 3.82Å; K225-H252 PolarHBondContact NZ-O 3.29Å; H252-D287 IonicContact CD2-OD1 2.62Å; H252-D287 PolarHBondContact CD2-OD1 3.23Å; H252-D287 IonicContact CD2-OD2 3.16Å; H252-D287 IonicContact CE1-OD2 3.96Å; H252-D287 VanDerWaalsContact NE2-CG 3.31Å; H252-D287 IonicContact NE2-OD1 3.46Å; H252-D287 PolarHBondContact NE2-OD1 3.37Å; H252-D287 IonicContact NE2-OD2 3.77Å; H252-D287 PolarHBondContact NE2-OD2 3.13Å
253L98.8Very high98.5Very high0 Ų042 Ų420%024%0.241CC..EExtended strand (participates in β ladder)trans-122.9139.5177.8-58.2-175.6000110.9F195 C197 R200 G201 Y203 F205 K225 L251 D257 V259F195-L253 HydrophobicContact CD1-CD1 4.33Å; F195-L253 HydrophobicContact CE1-CD1 3.88Å; C197-L253 HydrophobicContact CB-CB 4.04Å; C197-L253 HydrophobicContact CB-CD1 4.09Å; R200-L253 VanDerWaalsContact CA-O 3.29Å; R200-L253 WeakPolarHBondContact CA-O 3.4Å; R200-L253 WeakPolarHBondContact CG-O 3.21Å; G201-L253 PolarHBondContact N-O 3.31Å; G201-L253 PolarHBondContact O-N 3.05Å; Y203-L253 HydrophobicContact CD2-CB 3.84Å; Y203-L253 HydrophobicContact CD2-CD1 3.66Å; Y203-L253 HydrophobicContact CD2-CG 3.8Å; Y203-L253 HydrophobicContact CE2-CB 4.03Å; Y203-L253 HydrophobicContact CE2-CD1 4.13Å; Y203-L253 HydrophobicContact CE2-CG 4.41Å; Y203-L253 HydrophobicContact CG-CD1 3.9Å; Y203-L253 HydrophobicContact CG-CG 4.37Å; F205-L253 HydrophobicContact CE2-CD1 3.86Å; F205-L253 HydrophobicContact CZ-CD1 3.73Å; K225-L253 HydrophobicContact CD-CD2 3.73Å; K225-L253 HydrophobicContact CG-CD2 4.19Å; L251-L253 HydrophobicContact CB-CD2 4.07Å; L251-L253 HydrophobicContact CB-CG 4.48Å; L251-L253 HydrophobicContact CD1-CD2 4.5Å; L253-D257 WeakPolarHBondContact CA-OD2 3.47Å; L253-D257 HydrophobicContact CB-CB 4.29Å; L253-D257 HydrophobicContact CD2-CB 4.2Å; L253-V259 HydrophobicContact CD1-CG2 3.77Å; L253-V259 HydrophobicContact CD2-CG2 3.78Å; L253-V259 HydrophobicContact CG-CG2 4.47Å
254D98.6Very high98.5Very high66 Ų6642.4 Ų42.435%0.35324%0.243SC..  trans-91.7158.1167.7-82.1-57.7000111.2C197 R200 G256 D257C197-D254 VanDerWaalsContact CB-O 3.24Å; C197-D254 WeakPolarHBondContact CB-O 3.46Å; C197-D254 PolarHBondContact SG-O 3.37Å; R200-D254 VanDerWaalsContact CD-OD1 3.26Å; R200-D254 WeakPolarHBondContact CD-OD1 3.35Å; R200-D254 IonicContact CZ-OD1 2.7Å; R200-D254 IonicContact NE-OD1 2.93Å; R200-D254 IonicContact NH1-OD1 2.67Å; R200-D254 PolarHBondContact NH1-OD1 2.99Å; R200-D254 IonicContact NH1-OD2 3.74Å; D254-G256 PolarHBondContact O-N 3.44Å; D254-D257 PolarHBondContact N-OD2 2.7Å; D254-D257 VanDerWaalsContact O-CB 3.31Å; D254-D257 WeakPolarHBondContact O-CB 3.31Å; D254-D257 PolarHBondContact O-N 2.83Å
255S97.1Very high98.4Very high82 Ų8239.4 Ų39.457%0.57324%0.239SC*.THydrogen-bonded Turntrans-62.9127.6174.6-162.80000109.9Q198Q198-S255 WeakPolarHBondContact CA-OG 3.4Å; Q198-S255 WeakPolarHBondContact O-CB 3.31Å; Q198-S255 PolarHBondContact O-OG 3.05Å
256G97.8Very high98.2Very high58 Ų5839.7 Ų39.760%0.59824%0.242SC*.THydrogen-bonded Turntrans96-10.3-172.100000115.2C197 D254C197-G256 PolarHBondContact O-N 3.05Å; D254-G256 PolarHBondContact O-N 3.44Å
257D98.8Very high98.1Very high15 Ų1541.3 Ų41.38%0.0824%0.244CC..  trans-66133.8175.3-77.5-27.5000112.1C197 K225 N226 L253 D254C197-D257 HydrophobicContact CB-CB 4.07Å; C197-D257 WeakPolarHBondContact CB-O 3.45Å; C197-D257 PolarHBondContact N-O 2.93Å; K225-D257 WeakPolarHBondContact CE-OD2 3.31Å; K225-D257 IonicContact NZ-OD2 2.75Å; K225-D257 PolarHBondContact NZ-OD2 3.42Å; N226-D257 PolarHBondContact ND2-OD1 2.77Å; N226-D257 WeakPolarHBondContact OD1-CA 3.5Å; L253-D257 WeakPolarHBondContact CA-OD2 3.47Å; L253-D257 HydrophobicContact CB-CB 4.29Å; L253-D257 HydrophobicContact CD2-CB 4.2Å; D254-D257 PolarHBondContact N-OD2 2.7Å; D254-D257 VanDerWaalsContact O-CB 3.31Å; D254-D257 WeakPolarHBondContact O-CB 3.31Å; D254-D257 PolarHBondContact O-N 2.83Å
258E98.8Very high98.1Very high64 Ų6438.4 Ų38.430%0.29923%0.228SC..EExtended strand (participates in β ladder)trans-102.6131174.5-64.4-174.5132.800111K194 F195 K225 N226K194-E258 HydrophobicContact CD-CB 4.25Å; K194-E258 VanDerWaalsContact CD-CD 3.44Å; K194-E258 HydrophobicContact CD-CG 4.2Å; K194-E258 WeakPolarHBondContact CD-OE1 3.46Å; K194-E258 IonicContact NZ-OE1 2.66Å; K194-E258 PolarHBondContact NZ-OE1 3.14Å; K194-E258 IonicContact NZ-OE2 3.53Å; K194-E258 PolarHBondContact NZ-OE2 3.07Å; F195-E258 CarbonylContact O-C 3.57Å; F195-E258 WeakPolarHBondContact O-CA 3.34Å; K225-E258 WeakPolarHBondContact CA-O 3.08Å; N226-E258 PolarHBondContact N-O 2.82Å; N226-E258 PolarHBondContact OD1-N 3.36Å; N226-E258 PolarHBondContact OD1-O 2.81Å
259V98.9Very high98.1Very high0 Ų036.8 Ų36.80%021%0.214CC..EExtended strand (participates in β ladder)trans-121130.5173.1-175.20000110.4F195 F205 L223 C224 L253 F279F195-V259 HydrophobicContact CB-CB 4.45Å; F195-V259 HydrophobicContact CD1-CB 4.4Å; F195-V259 PolarHBondContact N-O 3.21Å; F195-V259 PolarHBondContact O-N 2.85Å; F205-V259 HydrophobicContact CD1-CG1 4.06Å; F205-V259 HydrophobicContact CD2-CG1 4.32Å; F205-V259 HydrophobicContact CE1-CB 4.09Å; F205-V259 HydrophobicContact CE1-CG1 3.94Å; F205-V259 HydrophobicContact CE1-CG2 4.49Å; F205-V259 HydrophobicContact CE2-CB 4.48Å; F205-V259 HydrophobicContact CE2-CG1 4.21Å; F205-V259 HydrophobicContact CE2-CG2 4.12Å; F205-V259 HydrophobicContact CG-CG1 4.25Å; F205-V259 HydrophobicContact CZ-CB 4Å; F205-V259 HydrophobicContact CZ-CG1 4.04Å; F205-V259 HydrophobicContact CZ-CG2 3.89Å; L223-V259 HydrophobicContact CD1-CG1 4.13Å; L223-V259 HydrophobicContact CD2-CG1 3.67Å; L223-V259 HydrophobicContact CG-CG1 3.9Å; C224-V259 VanDerWaalsContact O-CA 3.3Å; C224-V259 WeakPolarHBondContact O-CA 3.2Å; L253-V259 HydrophobicContact CD1-CG2 3.77Å; L253-V259 HydrophobicContact CD2-CG2 3.78Å; L253-V259 HydrophobicContact CG-CG2 4.47Å; V259-F279 HydrophobicContact CG1-CZ 4.26Å
260Y98.9Very high98.1Very high30 Ų3035.6 Ų35.612%0.11821%0.207CC..EExtended strand (participates in β ladder)trans-156.2168.6-177.359.8-92.5000112.3V174 K194 L223 C224 G227V174-Y260 HydrophobicContact CB-CD2 4.3Å; V174-Y260 HydrophobicContact CG1-CD2 4.01Å; V174-Y260 HydrophobicContact CG1-CG 4.17Å; V174-Y260 HydrophobicContact CG2-CD2 3.76Å; V174-Y260 HydrophobicContact CG2-CE2 3.9Å; V174-Y260 HydrophobicContact CG2-CG 4.25Å; K194-Y260 HydrophobicContact CD-CD1 4.21Å; K194-Y260 HydrophobicContact CG-CD1 4.15Å; K194-Y260 HydrophobicContact CG-CG 4.31Å; L223-Y260 CarbonylContact C-O 3.55Å; L223-Y260 WeakPolarHBondContact CA-O 3.4Å; C224-Y260 HydrophobicContact CB-CD1 4.5Å; C224-Y260 HydrophobicContact CB-CD2 4.06Å; C224-Y260 HydrophobicContact CB-CE1 4.13Å; C224-Y260 HydrophobicContact CB-CE2 3.64Å; C224-Y260 HydrophobicContact CB-CG 4.48Å; C224-Y260 PolarHBondContact N-O 3.23Å; C224-Y260 PolarHBondContact O-N 2.91Å; C224-Y260 VanDerWaalsContact O-N 3.1Å; G227-Y260 WeakPolarHBondContact CA-OH 3.27Å
261V98.9Very high97.9Very high0 Ų033.2 Ų33.20%020%0.2CC..EExtended strand (participates in β ladder)trans-102.8135.3174.2-178.90000109.9L175 F177 Y207 I209 A221 D222 L263 F279L175-V261 PolarHBondContact N-O 3.33Å; F177-V261 HydrophobicContact CE2-CB 4.21Å; F177-V261 HydrophobicContact CE2-CG2 4.27Å; F177-V261 HydrophobicContact CZ-CG2 4.49Å; Y207-V261 HydrophobicContact CD1-CG2 4.3Å; Y207-V261 HydrophobicContact CG-CG2 4.22Å; I209-V261 HydrophobicContact CD1-CG1 4.36Å; I209-V261 HydrophobicContact CG1-CG1 4.4Å; A221-V261 HydrophobicContact CB-CG1 4.19Å; D222-V261 CarbonylContact O-C 3.57Å; D222-V261 VanDerWaalsContact O-CA 3.3Å; D222-V261 WeakPolarHBondContact O-CA 3.3Å; V261-L263 HydrophobicContact CG1-CD2 4.21Å; V261-F279 HydrophobicContact CG2-CD1 4.35Å; V261-F279 HydrophobicContact CG2-CD2 4.06Å; V261-F279 HydrophobicContact CG2-CE2 4.24Å; V261-F279 HydrophobicContact CG2-CG 4.14Å; V261-F279 HydrophobicContact CG2-CZ 4.46Å
262K98.7Very high97.8Very high70 Ų7039.1 Ų39.130%0.30423%0.231SC..EExtended strand (participates in β ladder)trans-115.7149.8168.6165.4171.8164.5136.70109.1G171 Y172 A221 D222G171-K262 WeakPolarHBondContact O-CA 3.17Å; Y172-K262 WeakPolarHBondContact O-CD 3.34Å; Y172-K262 WeakPolarHBondContact O-CE 3.33Å; Y172-K262 PolarHBondContact O-NZ 3.46Å; A221-K262 CarbonylContact C-O 3.52Å; A221-K262 WeakPolarHBondContact CA-O 3.13Å; D222-K262 PolarHBondContact N-O 3.35Å; D222-K262 PolarHBondContact O-N 2.81Å
263L98.4Very high97.7Very high0 Ų039.9 Ų39.90%024%0.237CC..EExtended strand (participates in β ladder)trans-113.4161.9174.9-52.5-178.5000111.6G171 Y172 L175 I209 M211 W220 A221 V261 A268G171-L263 PolarHBondContact O-N 2.95Å; Y172-L263 WeakPolarHBondContact CA-O 3.41Å; L175-L263 HydrophobicContact CB-CG 4.35Å; L175-L263 HydrophobicContact CD1-CD1 4.21Å; L175-L263 HydrophobicContact CD2-CD1 4.15Å; L175-L263 HydrophobicContact CD2-CD2 4.11Å; L175-L263 HydrophobicContact CD2-CG 4.31Å; I209-L263 HydrophobicContact CG1-CD2 4.4Å; I209-L263 HydrophobicContact CG2-CD2 4.14Å; M211-L263 HydrophobicContact CE-CB 4.01Å; M211-L263 HydrophobicContact CE-CD1 4.25Å; M211-L263 HydrophobicContact CE-CD2 4.03Å; M211-L263 HydrophobicContact CE-CG 4.31Å; M211-L263 HydrophobicContact SD-CD2 4Å; W220-L263 CarbonylContact O-C 3.6Å; W220-L263 WeakPolarHBondContact O-CA 3.45Å; A221-L263 HydrophobicContact CB-CD2 3.68Å; V261-L263 HydrophobicContact CG1-CD2 4.21Å; L263-A268 HydrophobicContact CD1-CB 3.8Å
264D97.5Very high97.7Very high65 Ų6541.7 Ų41.735%0.34825%0.247SC..EExtended strand (participates in β ladder)trans-147.2162.9159.1-148.1-25.8000110.7M211 M219 W220 G266M211-D264 WeakPolarHBondContact CE-O 3.43Å; M219-D264 WeakPolarHBondContact CA-O 3.26Å; W220-D264 HydrophobicContact CD2-CB 4.07Å; W220-D264 VanDerWaalsContact CE2-CB 3.43Å; W220-D264 HydrophobicContact CG-CB 4.41Å; W220-D264 HydrophobicContact CH2-CB 4.42Å; W220-D264 HydrophobicContact CZ2-CB 3.63Å; W220-D264 PolarHBondContact N-O 3.46Å; W220-D264 VanDerWaalsContact N-O 3.09Å; W220-D264 PolarHBondContact O-N 3.25Å; D264-G266 PolarHBondContact O-N 3.41Å
265G94.9Very high97.7Very high27 Ų2742.1 Ų42.128%0.27825%0.246SC..SBendtrans68.2-4.417700000116.5G213G213-G265 WeakPolarHBondContact CA-O 3.37Å
266G94.8Very high97.8Very high6 Ų643 Ų436%0.06224%0.237CC..EExtended strand (participates in β ladder)trans-168.8-176.4-179.100000114.7R212 D264R212-G266 CarbonylContact O-C 3.54Å; R212-G266 WeakPolarHBondContact O-CA 3.29Å; D264-G266 PolarHBondContact O-N 3.41Å
267K97Very high97.8Very high79 Ų7940.2 Ų40.234%0.34321%0.209SC..EExtended strand (participates in β ladder)trans-118.1149.5176.862.6175.4177.6178.20111.7H169 E170 M211 R212 H269H169-K267 WeakPolarHBondContact O-CB 3.33Å; E170-K267 HydrophobicContact CG-CB 4.34Å; M211-K267 CarbonylContact C-O 3.53Å; M211-K267 WeakPolarHBondContact CA-O 3.48Å; R212-K267 HydrophobicContact CB-CG 4.27Å; R212-K267 PolarHBondContact N-O 3.29Å; R212-K267 PolarHBondContact O-N 3.39Å; K267-H269 VanDerWaalsContact CE-NE2 3.34Å; K267-H269 WeakPolarHBondContact CE-NE2 3.49Å
268A98.4Very high97.8Very high0 Ų040.1 Ų40.10%021%0.209CC..EExtended strand (participates in β ladder)trans-83.6155.7177.400000112.2L165 P168 H169 L175 I209 L210 L263L165-A268 HydrophobicContact CD2-CB 3.49Å; L165-A268 VanDerWaalsContact CD2-CB 3.49Å; P168-A268 WeakPolarHBondContact CA-O 3.49Å; P168-A268 WeakPolarHBondContact CB-O 3.49Å; H169-A268 PolarHBondContact N-O 2.87Å; H169-A268 PolarHBondContact O-N 2.74Å; L175-A268 HydrophobicContact CD1-CB 3.76Å; L175-A268 HydrophobicContact CD2-CB 3.77Å; L175-A268 HydrophobicContact CG-CB 4.45Å; I209-A268 HydrophobicContact CG2-CB 3.5Å; L210-A268 CarbonylContact O-C 3.56Å; L210-A268 WeakPolarHBondContact O-CA 3.44Å; L263-A268 HydrophobicContact CD1-CB 3.8Å
269H98.4Very high97.8Very high24 Ų2437.1 Ų37.111%0.11119%0.194CC..  trans-132.7121.3-177.8-82.7-110.2000112L210 R212 Y242 K267 S277L210-H269 HydrophobicContact CD2-CB 4.05Å; L210-H269 HydrophobicContact CG-CB 4.14Å; L210-H269 PolarHBondContact O-N 3.19Å; R212-H269 WeakPolarHBondContact CB-NE2 3.35Å; Y242-H269 AromaticContact CE1-CD2 3.85Å; Y242-H269 AromaticContact CE1-CE1 3.7Å; Y242-H269 AromaticContact CE1-CG 3.84Å; Y242-H269 AromaticContact CE1-ND1 3.75Å; Y242-H269 AromaticContact CE1-NE2 3.79Å; Y242-H269 AromaticContact CZ-CE1 3.95Å; Y242-H269 PolarHBondContact OH-CE1 3Å; Y242-H269 VanDerWaalsContact OH-CE1 3.29Å; K267-H269 VanDerWaalsContact CE-NE2 3.34Å; K267-H269 WeakPolarHBondContact CE-NE2 3.49Å; H269-S277 PolarHBondContact N-OG 3.4Å; H269-S277 WeakPolarHBondContact O-CB 3.46Å; H269-S277 PolarHBondContact O-N 3.25Å; H269-S277 PolarHBondContact O-OG 3.45Å
270G98Very high97.8Very high0 Ų038.2 Ų38.20%020%0.202CC..  trans-71.5-29.5178.100000115.6L165 N274 K275 Y276L165-G270 WeakPolarHBondContact O-CA 3.19Å; G270-N274 CarbonylContact O-C 3.58Å; G270-N274 VanDerWaalsContact O-CA 3.27Å; G270-N274 WeakPolarHBondContact O-CA 3.36Å; G270-N274 PolarHBondContact O-N 3.38Å; G270-K275 PolarHBondContact O-N 3.01Å; G270-K275 VanDerWaalsContact O-N 3.12Å; G270-Y276 PolarHBondContact O-N 3.34Å; G270-Y276 VanDerWaalsContact O-N 3.07Å
271G96.1Very high97.8Very high34 Ų3436.8 Ų36.835%0.35120%0.196SC..  trans84-166.8-167.300000113
272N96.4Very high97.8Very high142 Ų14241 Ų4176%0.75922%0.215SC*.SBendtrans-83.8-13.4177.362.5-13.2000113.7
273N97.2Very high97.8Very high75 Ų7538.7 Ų38.740%0.40121%0.206SC..SBendtrans-1214.9-176.465.49.2000113.2K275N273-K275 VanDerWaalsContact C-N 3.26Å; N273-K275 WeakPolarHBondContact O-CG 3.33Å; N273-K275 PolarHBondContact O-N 3.38Å; N273-K275 PolarHBondContact O-NZ 3.47Å; N273-K275 PolarHBondContact OD1-N 3.04Å
274N98.4Very high97.8Very high39 Ų3941.8 Ų41.821%0.20922%0.222CC..SBendtrans67.410.8-178.3-41.5-25.1000115.7G164 L165 K166 D179 G270G164-N274 CarbonylContact C-O 3.55Å; G164-N274 VanDerWaalsContact CA-O 3.28Å; G164-N274 WeakPolarHBondContact CA-O 3.43Å; L165-N274 PolarHBondContact N-O 3.38Å; L165-N274 VanDerWaalsContact N-O 3.08Å; L165-N274 CarbonylContact O-C 3.48Å; L165-N274 WeakPolarHBondContact O-CA 3.23Å; L165-N274 VanDerWaalsContact O-CB 3.24Å; L165-N274 WeakPolarHBondContact O-CB 3.33Å; K166-N274 HydrophobicContact CG-CB 4.47Å; D179-N274 HydrophobicContact CB-CB 3.89Å; D179-N274 PolarHBondContact OD1-ND2 3.19Å; D179-N274 VanDerWaalsContact OD1-ND2 3.12Å; D179-N274 WeakPolarHBondContact OD2-CB 3.34Å; G270-N274 CarbonylContact O-C 3.58Å; G270-N274 VanDerWaalsContact O-CA 3.27Å; G270-N274 WeakPolarHBondContact O-CA 3.36Å; G270-N274 PolarHBondContact O-N 3.38Å
275K98.4Very high97.6Very high74 Ų7446.3 Ų46.332%0.32224%0.235SC..  trans-109.24.2-170.8-54.2-55.3174.7-74.70115.9D179 G270 N273 T278D179-K275 IonicContact OD2-NZ 3.54Å; D179-K275 PolarHBondContact OD2-NZ 3.37Å; G270-K275 PolarHBondContact O-N 3.01Å; G270-K275 VanDerWaalsContact O-N 3.12Å; N273-K275 VanDerWaalsContact C-N 3.26Å; N273-K275 WeakPolarHBondContact O-CG 3.33Å; N273-K275 PolarHBondContact O-N 3.38Å; N273-K275 PolarHBondContact O-NZ 3.47Å; N273-K275 PolarHBondContact OD1-N 3.04Å; K275-T278 WeakPolarHBondContact O-CG2 3.44Å
276Y98.5Very high97.7Very high101 Ų10148 Ų4840%0.39624%0.242SC..SBendtrans-80.2-38.1175.5-64.8-38.5000113.1L210 Y244 G270L210-Y276 HydrophobicContact CD2-CD2 3.84Å; L210-Y276 HydrophobicContact CD2-CG 4Å; Y244-Y276 VanDerWaalsContact CE1-O 3.23Å; Y244-Y276 WeakPolarHBondContact CE1-O 3.3Å; Y244-Y276 PolarHBondContact OH-O 3.31Å; Y244-Y276 VanDerWaalsContact OH-O 3.13Å; G270-Y276 PolarHBondContact O-N 3.34Å; G270-Y276 VanDerWaalsContact O-N 3.07Å
277S98.8Very high97.7Very high0 Ų054.2 Ų54.20%027%0.274CS..SBendtrans-100119.8169.6-65.90000109.6G164 L165 H208 L210 H269G164-S277 WeakPolarHBondContact CA-O 3.41Å; L165-S277 PolarHBondContact N-O 2.89Å; H208-S277 CarbonylContact O-C 3.55Å; H208-S277 VanDerWaalsContact O-CA 3.31Å; H208-S277 WeakPolarHBondContact O-CA 3.36Å; L210-S277 PolarHBondContact N-OG 3.47Å; L210-S277 PolarHBondContact O-OG 3.05Å; H269-S277 PolarHBondContact N-OG 3.4Å; H269-S277 WeakPolarHBondContact O-CB 3.46Å; H269-S277 PolarHBondContact O-N 3.25Å; H269-S277 PolarHBondContact O-OG 3.45Å
278T98.9Very high97.7Very high13 Ų1353 Ų538%0.0827%0.27CS..EExtended strand (participates in β ladder)trans-139.4151.5-174.761.90000113Y162 V163 Y207 H208 K275Y162-T278 HydrophobicContact CE2-CG2 3.8Å; V163-T278 VanDerWaalsContact O-CA 3.31Å; V163-T278 WeakPolarHBondContact O-CA 3.44Å; Y207-T278 WeakPolarHBondContact CA-O 3.26Å; H208-T278 PolarHBondContact N-O 2.97Å; H208-T278 PolarHBondContact O-N 3.33Å; K275-T278 WeakPolarHBondContact O-CG2 3.44Å
279F98.9Very high97.6Very high0 Ų055.8 Ų55.80%028%0.284CS..EExtended strand (participates in β ladder)trans-139.3138.7172179.1-143.2000109.2F161 V163 F177 Y188 F205 T206 L223 V259 V261F161-F279 AromaticContact CE2-CD1 3.63Å; F161-F279 HydrophobicContact CE2-CD1 3.63Å; F161-F279 HydrophobicContact CE2-CD2 4.44Å; F161-F279 AromaticContact CE2-CE1 3.78Å; F161-F279 HydrophobicContact CE2-CE1 3.78Å; F161-F279 AromaticContact CE2-CG 3.98Å; F161-F279 HydrophobicContact CE2-CG 3.98Å; F161-F279 HydrophobicContact CE2-CZ 4.24Å; F161-F279 AromaticContact CZ-CD1 4Å; F161-F279 HydrophobicContact CZ-CD1 4Å; F161-F279 HydrophobicContact CZ-CD2 4.42Å; F161-F279 AromaticContact CZ-CE1 3.68Å; F161-F279 HydrophobicContact CZ-CE1 3.68Å; F161-F279 HydrophobicContact CZ-CE2 4.12Å; F161-F279 HydrophobicContact CZ-CG 4.35Å; F161-F279 AromaticContact CZ-CZ 3.74Å; F161-F279 HydrophobicContact CZ-CZ 3.74Å; V163-F279 HydrophobicContact CG2-CB 4.02Å; V163-F279 VanDerWaalsContact CG2-O 3.29Å; V163-F279 WeakPolarHBondContact CG2-O 3.32Å; V163-F279 PolarHBondContact N-O 3.3Å; V163-F279 PolarHBondContact O-N 3.41Å; F177-F279 HydrophobicContact CD1-CB 4.25Å; F177-F279 HydrophobicContact CD2-CB 3.9Å; F177-F279 HydrophobicContact CD2-CD1 4.2Å; F177-F279 HydrophobicContact CE1-CB 3.95Å; F177-F279 HydrophobicContact CE2-CB 3.59Å; F177-F279 HydrophobicContact CE2-CD1 4.07Å; F177-F279 HydrophobicContact CE2-CG 4.15Å; F177-F279 HydrophobicContact CG-CB 4.22Å; F177-F279 HydrophobicContact CZ-CB 3.6Å; F177-F279 HydrophobicContact CZ-CG 4.5Å; Y188-F279 AromaticContact CE2-CD1 3.97Å; Y188-F279 HydrophobicContact CE2-CD1 3.97Å; Y188-F279 HydrophobicContact CE2-CE1 4.12Å; F205-F279 HydrophobicContact CB-CE2 4.26Å; F205-F279 AromaticContact CD1-CE2 3.96Å; F205-F279 HydrophobicContact CD1-CE2 3.96Å; F205-F279 AromaticContact CD1-CZ 3.94Å; F205-F279 HydrophobicContact CD1-CZ 3.94Å; T206-F279 WeakPolarHBondContact O-CD2 3.38Å; L223-F279 HydrophobicContact CD1-CE2 3.89Å; L223-F279 HydrophobicContact CD1-CZ 4.39Å; V259-F279 HydrophobicContact CG1-CZ 4.26Å; V261-F279 HydrophobicContact CG2-CD1 4.35Å; V261-F279 HydrophobicContact CG2-CD2 4.06Å; V261-F279 HydrophobicContact CG2-CE2 4.24Å; V261-F279 HydrophobicContact CG2-CG 4.14Å; V261-F279 HydrophobicContact CG2-CZ 4.46Å
280S98.9Very high97.6Very high23 Ų2357.6 Ų57.616%0.16129%0.294CS..EExtended strand (participates in β ladder)trans-147.8159.717547.50000112.1F161 F205 T206F161-S280 VanDerWaalsContact O-CA 3.26Å; F161-S280 WeakPolarHBondContact O-CA 3.37Å; F161-S280 WeakPolarHBondContact O-CB 3.49Å; F205-S280 WeakPolarHBondContact CA-O 3.18Å; T206-S280 VanDerWaalsContact CG2-OG 3.3Å; T206-S280 WeakPolarHBondContact CG2-OG 3.42Å; T206-S280 PolarHBondContact N-O 3.47Å; T206-S280 PolarHBondContact O-N 3.07Å
281G98.8Very high97.6Very high0 Ų060.9 Ų60.90%031%0.311CS..EExtended strand (participates in β ladder)trans-168.5162.317100000112A160 F161 F204A160-G281 CarbonylContact C-O 3.56Å; A160-G281 WeakPolarHBondContact CA-O 3.42Å; F161-G281 VanDerWaalsContact CD1-O 3.28Å; F161-G281 WeakPolarHBondContact CD1-O 3.39Å; F161-G281 VanDerWaalsContact CE1-N 3.28Å; F161-G281 PolarHBondContact N-O 2.88Å; F161-G281 PolarHBondContact O-N 3.08Å; F204-G281 CarbonylContact O-C 3.2Å; F204-G281 WeakPolarHBondContact O-CA 3.39Å
282F98.8Very high97.7Very high88 Ų8862.6 Ų62.639%0.38631%0.309SS..EExtended strand (participates in β ladder)trans-155.3154.8-17953.1-87.6000111.5I159 A160 Y203 F204 L284I159-F282 VanDerWaalsContact O-CA 3.24Å; I159-F282 WeakPolarHBondContact O-CA 3.37Å; I159-F282 WeakPolarHBondContact O-CB 3.13Å; A160-F282 HydrophobicContact CB-CB 3.81Å; Y203-F282 WeakPolarHBondContact CA-O 3.39Å; F204-F282 HydrophobicContact CB-CE1 4.31Å; F204-F282 HydrophobicContact CB-CE2 4.27Å; F204-F282 HydrophobicContact CB-CZ 4.09Å; F204-F282 HydrophobicContact CD1-CD1 4.11Å; F204-F282 AromaticContact CD1-CE1 3.4Å; F204-F282 HydrophobicContact CD1-CE1 3.4Å; F204-F282 AromaticContact CD1-CZ 3.74Å; F204-F282 HydrophobicContact CD1-CZ 3.74Å; F204-F282 HydrophobicContact CE1-CE1 4.08Å; F204-F282 HydrophobicContact CG-CE1 4.19Å; F204-F282 HydrophobicContact CG-CZ 4.13Å; F204-F282 PolarHBondContact N-O 2.97Å; F204-F282 PolarHBondContact O-N 3.44Å; F282-L284 HydrophobicContact CD2-CD2 4.12Å; F282-L284 HydrophobicContact CE2-CD2 3.55Å; F282-L284 HydrophobicContact CE2-CG 4.37Å
283L98.5Very high97.8Very high22 Ų2257.3 Ų57.312%0.11528%0.279CS..EExtended strand (participates in β ladder)trans-70.3128.1171.5-178.770.8000109.1P157 I159 V199 Y203 Y285 P286P157-L283 HydrophobicContact CB-CD2 4.16Å; P157-L283 HydrophobicContact CG-CD2 3.79Å; I159-L283 HydrophobicContact CB-CB 4.06Å; I159-L283 HydrophobicContact CD1-CD2 4.43Å; I159-L283 PolarHBondContact O-N 3.47Å; V199-L283 HydrophobicContact CG1-CD2 4.41Å; Y203-L283 HydrophobicContact CD1-CB 4.08Å; Y203-L283 HydrophobicContact CD1-CD1 4.27Å; Y203-L283 HydrophobicContact CD2-CD1 4.04Å; Y203-L283 HydrophobicContact CE1-CB 3.69Å; Y203-L283 HydrophobicContact CE1-CD1 3.85Å; Y203-L283 HydrophobicContact CE1-CG 4.37Å; Y203-L283 HydrophobicContact CE2-CD1 3.62Å; Y203-L283 HydrophobicContact CG-CD1 4.36Å; L283-Y285 WeakPolarHBondContact CD1-O 3.46Å; L283-P286 HydrophobicContact CD2-CB 4.24Å
284L97.7Very high97.8Very high66 Ų6656.1 Ų56.135%0.34627%0.27SS..EExtended strand (participates in β ladder)trans-86.8-55.3168.9-69.6172000110I202 F204 V250 F282I202-L284 HydrophobicContact CG2-CB 4.39Å; I202-L284 HydrophobicContact CG2-CD1 4.08Å; I202-L284 WeakPolarHBondContact O-CB 3.44Å; I202-L284 PolarHBondContact O-N 3.47Å; F204-L284 HydrophobicContact CB-CD1 4.13Å; F204-L284 HydrophobicContact CB-CG 4.28Å; V250-L284 HydrophobicContact CG1-CD1 4.23Å; V250-L284 HydrophobicContact CG2-CD1 4.45Å; F282-L284 HydrophobicContact CD2-CD2 4.12Å; F282-L284 HydrophobicContact CE2-CD2 3.55Å; F282-L284 HydrophobicContact CE2-CG 4.37Å
285Y94.4Very high97.7Very high159 Ų15957.4 Ų57.462%0.62428%0.275SS*.EExtended strand (participates in β ladder)trans-143.2125.2-176.8-48.3-66.4000109.5G201 I202 L283G201-Y285 CarbonylContact C-O 3.6Å; G201-Y285 VanDerWaalsContact CA-O 3.29Å; G201-Y285 WeakPolarHBondContact CA-O 3.34Å; I202-Y285 HydrophobicContact CB-CD2 4.38Å; I202-Y285 PolarHBondContact N-O 2.94Å; I202-Y285 PolarHBondContact O-N 2.81Å; L283-Y285 WeakPolarHBondContact CD1-O 3.46Å
286P96.4Very high97.7Very high64 Ų6456 Ų5642%0.41627%0.271SS..EExtended strand (participates in β ladder)trans-67.2153.2162.831.1-33.2000110.1P157 V199 L283P157-P286 HydrophobicContact CG-CB 3.93Å; P157-P286 HydrophobicContact CG-CG 4.06Å; V199-P286 HydrophobicContact CG1-CB 4.11Å; L283-P286 HydrophobicContact CD2-CB 4.24Å
287D93.6Very high97.6Very high136 Ų13651.9 Ų51.973%0.72726%0.259SS*.  trans-72.80169.4-8436.9000112.3R200 G201 H252R200-D287 HydrophobicContact CG-CB 4.14Å; R200-D287 IonicContact CZ-OD2 2.77Å; R200-D287 IonicContact NE-OD2 2.65Å; R200-D287 PolarHBondContact NE-OD2 2.88Å; R200-D287 IonicContact NH2-OD2 2.95Å; R200-D287 PolarHBondContact NH2-OD2 3.35Å; R200-D287 PolarHBondContact O-N 3.17Å; R200-D287 VanDerWaalsContact O-N 3.08Å; G201-D287 WeakPolarHBondContact CA-OD1 3.48Å; H252-D287 IonicContact CD2-OD1 2.62Å; H252-D287 PolarHBondContact CD2-OD1 3.23Å; H252-D287 IonicContact CD2-OD2 3.16Å; H252-D287 IonicContact CE1-OD2 3.96Å; H252-D287 VanDerWaalsContact NE2-CG 3.31Å; H252-D287 IonicContact NE2-OD1 3.46Å; H252-D287 PolarHBondContact NE2-OD1 3.37Å; H252-D287 IonicContact NE2-OD2 3.77Å; H252-D287 PolarHBondContact NE2-OD2 3.13Å

Retrieved 287 of 287 residues in 62 ms (Link to these results)