A0A061HTH6_CRIGR Loading...

CCN family member 3

AlphaFold DB , UniProt , Accession A0A061HTH6, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Ccn3, Length 351 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
1M51.1Low52.2Low226 Ų226141.1 Ų141.1100%1.11371%0.705SS**  07.90-125.515079.100115.1
2S52.1Low52.8Low99 Ų99138.1 Ų138.169%0.69269%0.692SS**  trans-103-29.3-174.5-177.40000114.5
3T48.3Very low53.6Low114 Ų114130.2 Ų130.270%0.69967%0.667SS**Hα-helixtrans-78.3-23.6-176.948.80000114.4
4F45.1Very low54.1Low159 Ų159131.3 Ų131.370%0.69767%0.665SS**Hα-helixtrans-78.2-33.3-179.6-124.5-93.7000113R8F4-R8 PolarHBondContact O-N 3.23Å
5L49Very low54.6Low132 Ų132129.7 Ų129.769%0.69166%0.658SS**Hα-helixtrans-67.4-37.1173.2-108.476.7000111.5K7 R8 C9L5-K7 PolarHBondContact O-N 3.19Å; L5-R8 PolarHBondContact O-N 3.29Å; L5-C9 WeakPolarHBondContact O-CB 3.3Å; L5-C9 PolarHBondContact O-N 2.95Å
6R51Low55Low196 Ų196127.8 Ų127.874%0.7465%0.649SS**Hα-helixtrans-64.5-40.4-178.8-164.3172.7178.2-175.9-1.3112.5L10R6-L10 HydrophobicContact CG-CD1 4.49Å; R6-L10 WeakPolarHBondContact O-CD1 3.4Å; R6-L10 PolarHBondContact O-N 3.34Å
7K51.5Low55.2Low162 Ų162129.1 Ų129.170%0.70465%0.65SS**Hα-helixtrans-71.7-36.4177.4-78.4-175.7175.6-176.70113.5L5 C11L5-K7 PolarHBondContact O-N 3.19Å; K7-C11 PolarHBondContact O-N 2.97Å; K7-C11 PolarHBondContact O-SG 3.32Å
8R53.9Low55.1Low186 Ų186128.5 Ų128.570%0.70264%0.644SS**Hα-helixtrans-67.6-37.2174.9-89.6-179.1161.1178.7-5.3112.5F4 L5 C11 L12F4-R8 PolarHBondContact O-N 3.23Å; L5-R8 PolarHBondContact O-N 3.29Å; R8-C11 PolarHBondContact O-N 3.46Å; R8-L12 PolarHBondContact O-N 2.85Å; R8-L12 VanDerWaalsContact O-N 3.08Å
9C56.4Low55.1Low92 Ų92127.6 Ų127.662%0.62264%0.641SS**Hα-helixtrans-68-38177.9-143.20000112.3L5 G13L5-C9 WeakPolarHBondContact O-CB 3.3Å; L5-C9 PolarHBondContact O-N 2.95Å; C9-G13 PolarHBondContact O-N 3.25Å
10L57.6Low54.9Low107 Ų107129.6 Ų129.656%0.5665%0.646SS**Hα-helixtrans-65.7-36.6174.8-86.6150.8000113R6 F14R6-L10 HydrophobicContact CG-CD1 4.49Å; R6-L10 WeakPolarHBondContact O-CD1 3.4Å; R6-L10 PolarHBondContact O-N 3.34Å; L10-F14 PolarHBondContact O-N 3.11Å
11C58.6Low54.5Low79 Ų79128.5 Ų128.553%0.53464%0.642SS.*Hα-helixtrans-73.5-38.3177.1-64.50000112.6K7 R8 G13 F14 L15K7-C11 PolarHBondContact O-N 2.97Å; K7-C11 PolarHBondContact O-SG 3.32Å; R8-C11 PolarHBondContact O-N 3.46Å; C11-G13 VanDerWaalsContact C-N 3.34Å; C11-F14 PolarHBondContact O-N 3.18Å; C11-L15 WeakPolarHBondContact O-CB 3.37Å; C11-L15 WeakPolarHBondContact O-CG 3.41Å; C11-L15 PolarHBondContact O-N 3.12Å
12L59.7Low54.1Low105 Ų105125.2 Ų125.255%0.5562%0.624SS.*Hα-helixtrans-65.8-38172.3-86.2156.4000111.6R8 L15 L16R8-L12 PolarHBondContact O-N 2.85Å; R8-L12 VanDerWaalsContact O-N 3.08Å; L12-L15 PolarHBondContact O-N 3.36Å; L12-L16 WeakPolarHBondContact O-CB 3.12Å; L12-L16 WeakPolarHBondContact O-CG 3.31Å; L12-L16 PolarHBondContact O-N 2.85Å
13G62.1Low53.7Low36 Ų36126.1 Ų126.137%0.37163%0.625SS.*Hα-helixtrans-62-44.9172.700000112.7C9 C11 L16 F17C9-G13 PolarHBondContact O-N 3.25Å; C11-G13 VanDerWaalsContact C-N 3.34Å; G13-L16 PolarHBondContact O-N 3.24Å; G13-F17 WeakPolarHBondContact O-CB 3.23Å; G13-F17 PolarHBondContact O-N 3.04Å
14F61.3Low53.6Low145 Ų145125.6 Ų125.664%0.63663%0.626SS**Hα-helixtrans-66.2-38.4176.4-111.7-90000113.1L10 C11 F17 H18L10-F14 PolarHBondContact O-N 3.11Å; C11-F14 PolarHBondContact O-N 3.18Å; F14-F17 PolarHBondContact O-N 3.35Å; F14-H18 WeakPolarHBondContact O-CB 3.02Å; F14-H18 PolarHBondContact O-N 2.76Å
15L61.3Low53.5Low108 Ų108122.7 Ų122.757%0.56563%0.631SS**Hα-helixtrans-68.2-40.3175.1-79.7164.2000112C11 L12 H18 L19C11-L15 WeakPolarHBondContact O-CB 3.37Å; C11-L15 WeakPolarHBondContact O-CG 3.41Å; C11-L15 PolarHBondContact O-N 3.12Å; L12-L15 PolarHBondContact O-N 3.36Å; L15-H18 PolarHBondContact O-N 3.3Å; L15-L19 WeakPolarHBondContact O-CB 3.2Å; L15-L19 WeakPolarHBondContact O-CD1 3.5Å; L15-L19 WeakPolarHBondContact O-CG 3.05Å; L15-L19 PolarHBondContact O-N 3.41Å
16L60.8Low53.3Low98 Ų98120.9 Ų120.951%0.51363%0.626SS.*Hα-helixtrans-66.2-37.1173.8-80.3161.9000112L12 G13 L19 F20L12-L16 WeakPolarHBondContact O-CB 3.12Å; L12-L16 WeakPolarHBondContact O-CG 3.31Å; L12-L16 PolarHBondContact O-N 2.85Å; G13-L16 PolarHBondContact O-N 3.24Å; L16-L19 PolarHBondContact O-N 3.42Å; L16-F20 WeakPolarHBondContact O-CB 3.17Å; L16-F20 PolarHBondContact O-N 3.49Å
17F58.3Low53.4Low151 Ų151118.4 Ų118.466%0.66262%0.623SS**Hα-helixtrans-69.9-33.6175.6-139.1-92.7000112.4G13 F14 N21G13-F17 WeakPolarHBondContact O-CB 3.23Å; G13-F17 PolarHBondContact O-N 3.04Å; F14-F17 PolarHBondContact O-N 3.35Å; F17-N21 WeakPolarHBondContact O-CB 3.25Å; F17-N21 PolarHBondContact O-N 3.43Å; F17-N21 VanDerWaalsContact O-N 3.12Å; F17-N21 PolarHBondContact O-ND2 2.67Å; F17-N21 VanDerWaalsContact O-ND2 3.14Å
18H54.2Low53.7Low118 Ų118120.5 Ų120.555%0.54663%0.626SS.*Hα-helixtrans-72.3-37171.6-99.9-64.6000112.9F14 L15 N21 Q22F14-H18 WeakPolarHBondContact O-CB 3.02Å; F14-H18 PolarHBondContact O-N 2.76Å; L15-H18 PolarHBondContact O-N 3.3Å; H18-N21 PolarHBondContact O-N 3.22Å; H18-Q22 VanDerWaalsContact O-CG 3.32Å; H18-Q22 WeakPolarHBondContact O-CG 3.4Å; H18-Q22 PolarHBondContact O-N 2.1Å
19L54.2Low54Low112 Ų112114.4 Ų114.459%0.58661%0.612SS**Hα-helixtrans-70.3-34.6174.9-72.1166000111.8L15 L16 Q22L15-L19 WeakPolarHBondContact O-CB 3.2Å; L15-L19 WeakPolarHBondContact O-CD1 3.5Å; L15-L19 WeakPolarHBondContact O-CG 3.05Å; L15-L19 PolarHBondContact O-N 3.41Å; L16-L19 PolarHBondContact O-N 3.42Å; L19-Q22 PolarHBondContact O-N 2.01Å
20F51Low54.5Low167 Ų167113.5 Ų113.573%0.73261%0.605SS**Hα-helixtrans-68.1-34.9171.6-104.7-89.7000112.7L16 Q22L16-F20 WeakPolarHBondContact O-CB 3.17Å; L16-F20 PolarHBondContact O-N 3.49Å; F20-Q22 VanDerWaalsContact C-N 3.31Å; F20-Q22 PolarHBondContact O-N 2.96Å
21N46.3Very low54.8Low106 Ų106115 Ų11557%0.56762%0.624SS**Hα-helixtrans-73.1-17.9175.9-88.8-49.8000114.2F17 H18F17-N21 WeakPolarHBondContact O-CB 3.25Å; F17-N21 PolarHBondContact O-N 3.43Å; F17-N21 VanDerWaalsContact O-N 3.12Å; F17-N21 PolarHBondContact O-ND2 2.67Å; F17-N21 VanDerWaalsContact O-ND2 3.14Å; H18-N21 PolarHBondContact O-N 3.22Å
22Q44.3Very low55.1Low157 Ų157115.1 Ų115.173%0.73463%0.626SS**THydrogen-bonded Turntrans-88.4-2.7178.7-72.5-8211.800113.8H18 L19 F20H18-Q22 VanDerWaalsContact O-CG 3.32Å; H18-Q22 WeakPolarHBondContact O-CG 3.4Å; H18-Q22 PolarHBondContact O-N 2.1Å; L19-Q22 PolarHBondContact O-N 2.01Å; F20-Q22 VanDerWaalsContact C-N 3.31Å; F20-Q22 PolarHBondContact O-N 2.96Å
23V42.5Very low55.6Low118 Ų118113.3 Ų113.372%0.71562%0.621SS**SBendtrans-106.836.5175.6-165.30000111
24S46Very low55.8Low104 Ų104114.4 Ų114.473%0.72762%0.622SS**  trans-124.667.4170.9-69.70000110.2
25A43.9Very low55.7Low97 Ų97116.4 Ų116.480%0.80264%0.638SS**  trans-158.842.5160.900000111.1
26T43.4Very low56.1Low94 Ų94119.3 Ų119.358%0.57765%0.649SS**SBendtrans-87.1113.9147.141.20000104.3R28T26-R28 PolarHBondContact O-N 2.04Å
27Q54.3Low56.7Low145 Ų145116.6 Ų116.668%0.67864%0.637SS**  trans-68.270.2179.4-138.7159.9-9.600108.1
28R57.3Low57.5Low206 Ų206113.7 Ų113.778%0.77763%0.634SS**PPolyproline II helixtrans-75.1128170.5-88.6171.5-179.3135.82.7106.6T26T26-R28 PolarHBondContact O-N 2.04Å
29C59.8Low58.2Low58 Ų58115.2 Ų115.239%0.39265%0.651SS.*PPolyproline II helixtrans-49.8127174.6-64.10000109.2C55C29-C55 VanDerWaalsContact CA-SG 3.55Å; C29-C55 HydrophobicContact CB-CB 3.63Å; C29-C55 WeakPolarHBondContact CB-SG 3.41Å; C29-C55 WeakPolarHBondContact SG-CA 3.33Å; C29-C55 WeakPolarHBondContact SG-CB 3.43Å; C29-C55 CovalentContact SG-SG 2.04Å; C29-C55 PolarHBondContact SG-SG 3.46Å
30P67.8Low59.2Low73 Ų73114.7 Ų114.747%0.47465%0.653SS.*PPolyproline II helixtrans-58.7144177.423.9-31.8000109.3S32P30-S32 WeakPolarHBondContact CB-O 3.19Å; P30-S32 WeakPolarHBondContact CG-O 3.33Å; P30-S32 PolarHBondContact O-N 3.43Å; P30-S32 VanDerWaalsContact O-N 3.09Å
31S62.7Low60.5Low137 Ų137111.1 Ų111.196%0.95865%0.646SS**SBendtrans-61.7-17.7-179.747.60000113.2
32S66.6Low62.4Low83 Ų83108.1 Ų108.158%0.5863%0.633SS**SBendtrans-124.1136.2169.650.10000109.9P30P30-S32 WeakPolarHBondContact CB-O 3.19Å; P30-S32 WeakPolarHBondContact CG-O 3.33Å; P30-S32 PolarHBondContact O-N 3.43Å; P30-S32 VanDerWaalsContact O-N 3.09Å
33C68.9Low64.6Low67 Ų67107.5 Ų107.545%0.45364%0.64SS.*  trans-62.2129.9173.9-65.40000109.4C57C33-C57 WeakPolarHBondContact CA-SG 3Å; C33-C57 HydrophobicContact CB-CB 3.66Å; C33-C57 WeakPolarHBondContact CB-SG 3.3Å; C33-C57 WeakPolarHBondContact SG-CA 3.34Å; C33-C57 WeakPolarHBondContact SG-CB 3.33Å; C33-C57 CovalentContact SG-SG 2.04Å; C33-C57 PolarHBondContact SG-SG 3.23Å
34P66.3Low66.8Low58 Ų58103.3 Ų103.338%0.37762%0.616SS.*  trans-59.8145.1175.822.8-29.8000109.4Q36P34-Q36 HydrophobicContact CB-CB 4.48Å; P34-Q36 HydrophobicContact CB-CG 4.37Å; P34-Q36 PolarHBondContact O-N 3.02Å
35L59.8Low68.9Low188 Ų188101.3 Ų101.398%0.98461%0.605SS**THydrogen-bonded Turntrans-60.516.6175.1-88.9140.4000114.5
36Q69.2Low70.9Confident169 Ų169103.2 Ų103.279%0.7961%0.61SS**THydrogen-bonded Turntrans-1042.7-171-62.3176.529.900113.4P34P34-Q36 HydrophobicContact CB-CB 4.48Å; P34-Q36 HydrophobicContact CB-CG 4.37Å; P34-Q36 PolarHBondContact O-N 3.02Å
37C74Confident72.7Confident40 Ų40102.7 Ų102.727%0.2762%0.623SS.*SBendtrans-67.6136.6173.1-61.90000110.1T39 C58C37-T39 PolarHBondContact O-N 3.36Å; C37-C58 WeakPolarHBondContact CA-SG 3.06Å; C37-C58 HydrophobicContact CB-CB 3.85Å; C37-C58 WeakPolarHBondContact CB-SG 3.35Å; C37-C58 WeakPolarHBondContact SG-CA 3.24Å; C37-C58 WeakPolarHBondContact SG-CB 3.41Å; C37-C58 CovalentContact SG-SG 2.05Å; C37-C58 PolarHBondContact SG-SG 2.02Å
38P75.2Confident74.4Confident91 Ų9197.1 Ų97.159%0.59160%0.599SS**  trans-55.3128.6172.2-21.231.3000109.9T40P38-T40 PolarHBondContact O-N 3.28Å
39T68.8Low75.9Confident149 Ų14992.2 Ų92.291%0.91458%0.58SS**SBendtrans-67.9-18.5177.132.50000112.7C37C37-T39 PolarHBondContact O-N 3.36Å
40T75.8Confident77.3Confident101 Ų10192.1 Ų92.162%0.6258%0.58SS**SBendtrans-104.1136.5173.550.70000110.9P38P38-T40 PolarHBondContact O-N 3.28Å
41P77.7Confident78.4Confident92 Ų9289.3 Ų89.360%0.59756%0.561SS**  trans-63.3141.7176.225.3-32.3000110.5L59P41-L59 HydrophobicContact CB-CD1 4.44Å
42P85.4Confident79.6Confident44 Ų4486.9 Ų86.929%0.28654%0.537SS..  trans-66.7139.1-178.228.9-35.9000110.9C44 L59P42-C44 PolarHBondContact O-N 2.78Å; P42-L59 HydrophobicContact CG-CB 4.36Å
43T90.5Very high80.6Confident143 Ų14383.5 Ų83.588%0.87751%0.513SS*.  trans-84.6108169.5-53.30000108.7
44C90.1Very high80.8Confident30 Ų3082.6 Ų82.620%0.20352%0.515CS..PPolyproline II helixtrans-89.9160.1-179.2-56.70000111.8P42 V48 C61P42-C44 PolarHBondContact O-N 2.78Å; C44-V48 HydrophobicContact CB-CB 4.07Å; C44-V48 HydrophobicContact CB-CG1 4.02Å; C44-V48 WeakPolarHBondContact CB-O 3.37Å; C44-C61 WeakPolarHBondContact CA-SG 3.43Å; C44-C61 HydrophobicContact CB-CB 3.93Å; C44-C61 WeakPolarHBondContact CB-SG 3.41Å; C44-C61 WeakPolarHBondContact SG-CA 3.29Å; C44-C61 WeakPolarHBondContact SG-CB 3.19Å; C44-C61 CovalentContact SG-SG 2.05Å; C44-C61 PolarHBondContact SG-SG 3.25Å
45A89.6Confident81.5Confident62 Ų6281.4 Ų81.451%0.51251%0.507SS..PPolyproline II helixtrans-60156.6175.600000111.5G47 V48A45-G47 PolarHBondContact O-N 2.87Å; A45-V48 HydrophobicContact CB-CB 4.43Å; A45-V48 HydrophobicContact CB-CG2 4.03Å; A45-V48 WeakPolarHBondContact O-CB 3.08Å; A45-V48 PolarHBondContact O-N 2.92Å
46P86.8Confident82.5Confident138 Ų13876.4 Ų76.490%0.89649%0.488SS*.THydrogen-bonded Turntrans-54128178-25.634.7000112V48P46-V48 VanDerWaalsContact C-N 3.27Å; P46-V48 PolarHBondContact O-N 3.48Å
47G81Confident83.2Confident82 Ų8269.6 Ų69.685%0.84546%0.459SS*.THydrogen-bonded Turntrans81.9-6.9-177.100000115.2A45A45-G47 PolarHBondContact O-N 2.87Å
48V89.2Confident83.8Confident29 Ų2968.7 Ų68.718%0.17645%0.453CS..PPolyproline II helixtrans-95.4123.7174.4-179.80000109.6C44 A45 P46 C61 A62 Q64C44-V48 HydrophobicContact CB-CB 4.07Å; C44-V48 HydrophobicContact CB-CG1 4.02Å; C44-V48 WeakPolarHBondContact CB-O 3.37Å; A45-V48 HydrophobicContact CB-CB 4.43Å; A45-V48 HydrophobicContact CB-CG2 4.03Å; A45-V48 WeakPolarHBondContact O-CB 3.08Å; A45-V48 PolarHBondContact O-N 2.92Å; P46-V48 VanDerWaalsContact C-N 3.27Å; P46-V48 PolarHBondContact O-N 3.48Å; V48-C61 HydrophobicContact CG1-CB 4.18Å; V48-A62 VanDerWaalsContact CG1-O 3.27Å; V48-A62 WeakPolarHBondContact CG1-O 3.3Å; V48-Q64 HydrophobicContact CG2-CG 3.77Å
49R88.1Confident84.4Confident103 Ų10368 Ų6839%0.38944%0.444SS..PPolyproline II helixtrans-88.4156.4177.467.6175.1-168.6120.7-0.3112.7V51 A62 D76 S78R49-V51 HydrophobicContact CG-CG1 4.16Å; R49-A62 HydrophobicContact CG-CB 4.24Å; R49-A62 WeakPolarHBondContact O-CB 3.2Å; R49-A62 PolarHBondContact O-N 2.91Å; R49-D76 IonicContact CZ-OD1 3.38Å; R49-D76 IonicContact NE-OD1 2.71Å; R49-D76 PolarHBondContact NE-OD1 2.95Å; R49-D76 IonicContact NE-OD2 3.93Å; R49-D76 IonicContact NH2-OD1 3.15Å; R49-D76 PolarHBondContact NH2-OD1 2.74Å; R49-D76 VanDerWaalsContact NH2-OD1 3.15Å; R49-S78 WeakPolarHBondContact CD-OG 3.1Å; R49-S78 PolarHBondContact NE-OG 3.11Å
50S90.6Very high85.5Confident55 Ų5562.6 Ų62.639%0.38541%0.41SS..EExtended strand (participates in β ladder)trans-81.9132.316757.80000110.7V60S50-V60 CarbonylContact C-O 3.42Å; S50-V60 WeakPolarHBondContact CA-O 3.16Å
51V90.2Very high86.2Confident14 Ų1459.9 Ų59.99%0.08540%0.395CS..EExtended strand (participates in β ladder)trans-127160.6177.1-680000109.9R49 L59 V60 A62 P74R49-V51 HydrophobicContact CG-CG1 4.16Å; V51-L59 CarbonylContact O-C 3.53Å; V51-L59 WeakPolarHBondContact O-CA 3.18Å; V51-V60 HydrophobicContact CG2-CG2 4.19Å; V51-V60 PolarHBondContact N-O 3.43Å; V51-V60 PolarHBondContact O-N 3.08Å; V51-A62 HydrophobicContact CB-CB 4.4Å; V51-A62 HydrophobicContact CG1-CB 3.83Å; V51-A62 HydrophobicContact CG2-CB 3.66Å; V51-P74 HydrophobicContact CG2-CG 3.85Å
52L88.5Confident87Confident86 Ų8655.6 Ų55.645%0.4537%0.368SS..EExtended strand (participates in β ladder)trans-74.4148.5169.2-66.1171.5000110.1C58 L59 P74L52-C58 CarbonylContact C-O 3.59Å; L52-C58 WeakPolarHBondContact CA-O 2.94Å; L52-L59 HydrophobicContact CD2-CD2 4.01Å; L52-L59 HydrophobicContact CD2-CG 4.14Å; L52-L59 HydrophobicContact CG-CD2 4.46Å; L52-P74 VanDerWaalsContact O-CG 3.3Å; L52-P74 WeakPolarHBondContact O-CG 3.2Å
53D86.1Confident87.4Confident12 Ų1256.9 Ų56.96%0.06437%0.367CS..  trans-60.7170.3167.865.528.3000112.2C55 S56 C57 C58 V60D53-C55 PolarHBondContact O-N 2.66Å; D53-C55 VanDerWaalsContact O-N 3.1Å; D53-C55 WeakPolarHBondContact OD1-CA 3.31Å; D53-C55 PolarHBondContact OD1-N 2.84Å; D53-C55 VanDerWaalsContact OD1-N 3.07Å; D53-S56 WeakPolarHBondContact O-CA 3.3Å; D53-S56 PolarHBondContact O-N 3.33Å; D53-S56 PolarHBondContact OD1-N 2.83Å; D53-C57 PolarHBondContact OD1-N 3.04Å; D53-C58 PolarHBondContact N-O 2.89Å; D53-C58 WeakPolarHBondContact OD2-CB 3.07Å; D53-C58 PolarHBondContact OD2-N 2.68Å; D53-V60 HydrophobicContact CB-CG2 4.49Å
54G74.8Confident87.5Confident48 Ų4852.4 Ų52.450%0.49534%0.336SS..THydrogen-bonded Turntrans-63.9-13.2-179.100000114.6E71G54-E71 WeakPolarHBondContact CA-O 3.46Å; G54-E71 PolarHBondContact N-O 3.26Å
55C79.8Confident87.5Confident33 Ų3360 Ų6022%0.22336%0.36CS..THydrogen-bonded Turntrans-96.44.4171.7-67.80000113.2C29 D53 C57C29-C55 VanDerWaalsContact CA-SG 3.55Å; C29-C55 HydrophobicContact CB-CB 3.63Å; C29-C55 WeakPolarHBondContact CB-SG 3.41Å; C29-C55 WeakPolarHBondContact SG-CA 3.33Å; C29-C55 WeakPolarHBondContact SG-CB 3.43Å; C29-C55 CovalentContact SG-SG 2.04Å; C29-C55 PolarHBondContact SG-SG 3.46Å; D53-C55 PolarHBondContact O-N 2.66Å; D53-C55 VanDerWaalsContact O-N 3.1Å; D53-C55 WeakPolarHBondContact OD1-CA 3.31Å; D53-C55 PolarHBondContact OD1-N 2.84Å; D53-C55 VanDerWaalsContact OD1-N 3.07Å; C55-C57 PolarHBondContact O-N 3.3Å; C55-C57 PolarHBondContact O-SG 3.27Å
56S81.4Confident87.4Confident84 Ų8459.6 Ų59.659%0.58736%0.362SS*.SBendtrans57.731.7-177.4-570000113.9D53D53-S56 WeakPolarHBondContact O-CA 3.3Å; D53-S56 PolarHBondContact O-N 3.33Å; D53-S56 PolarHBondContact OD1-N 2.83Å
57C84.1Confident87.6Confident25 Ų2556.6 Ų56.617%0.16934%0.336CS..  trans-104.7-66.1-173.7-75.10000112.9C33 D53 C55C33-C57 WeakPolarHBondContact CA-SG 3Å; C33-C57 HydrophobicContact CB-CB 3.66Å; C33-C57 WeakPolarHBondContact CB-SG 3.3Å; C33-C57 WeakPolarHBondContact SG-CA 3.34Å; C33-C57 WeakPolarHBondContact SG-CB 3.33Å; C33-C57 CovalentContact SG-SG 2.04Å; C33-C57 PolarHBondContact SG-SG 3.23Å; D53-C57 PolarHBondContact OD1-N 3.04Å; C55-C57 PolarHBondContact O-N 3.3Å; C55-C57 PolarHBondContact O-SG 3.27Å
58C86Confident88.1Confident21 Ų2156.6 Ų56.614%0.14232%0.323CS..SBendtrans-102144-173-53.70000111.7C37 L52 D53C37-C58 WeakPolarHBondContact CA-SG 3.06Å; C37-C58 HydrophobicContact CB-CB 3.85Å; C37-C58 WeakPolarHBondContact CB-SG 3.35Å; C37-C58 WeakPolarHBondContact SG-CA 3.24Å; C37-C58 WeakPolarHBondContact SG-CB 3.41Å; C37-C58 CovalentContact SG-SG 2.05Å; C37-C58 PolarHBondContact SG-SG 2.02Å; L52-C58 CarbonylContact C-O 3.59Å; L52-C58 WeakPolarHBondContact CA-O 2.94Å; D53-C58 PolarHBondContact N-O 2.89Å; D53-C58 WeakPolarHBondContact OD2-CB 3.07Å; D53-C58 PolarHBondContact OD2-N 2.68Å
59L88.6Confident88.2Confident78 Ų7855.3 Ų55.341%0.40832%0.315SS..EExtended strand (participates in β ladder)trans-75125168.1-78.6168.5000109.9P41 P42 V51 L52P41-L59 HydrophobicContact CB-CD1 4.44Å; P42-L59 HydrophobicContact CG-CB 4.36Å; V51-L59 CarbonylContact O-C 3.53Å; V51-L59 WeakPolarHBondContact O-CA 3.18Å; L52-L59 HydrophobicContact CD2-CD2 4.01Å; L52-L59 HydrophobicContact CD2-CG 4.14Å; L52-L59 HydrophobicContact CG-CD2 4.46Å
60V90.4Very high88.2Confident34 Ų3451.7 Ų51.721%0.20631%0.306CS..EExtended strand (participates in β ladder)trans-131.4157178.6-62.10000109.7S50 V51 D53 A62 P74S50-V60 CarbonylContact C-O 3.42Å; S50-V60 WeakPolarHBondContact CA-O 3.16Å; V51-V60 HydrophobicContact CG2-CG2 4.19Å; V51-V60 PolarHBondContact N-O 3.43Å; V51-V60 PolarHBondContact O-N 3.08Å; D53-V60 HydrophobicContact CB-CG2 4.49Å; V60-A62 PolarHBondContact O-N 3.21Å; V60-P74 HydrophobicContact CG2-CG 4.32Å
61C92.3Very high87.9Confident44 Ų4453.3 Ų53.330%0.29731%0.307SS..EExtended strand (participates in β ladder)trans-72.6131.6173.1-62.90000110.3C44 V48 R63C44-C61 WeakPolarHBondContact CA-SG 3.43Å; C44-C61 HydrophobicContact CB-CB 3.93Å; C44-C61 WeakPolarHBondContact CB-SG 3.41Å; C44-C61 WeakPolarHBondContact SG-CA 3.29Å; C44-C61 WeakPolarHBondContact SG-CB 3.19Å; C44-C61 CovalentContact SG-SG 2.05Å; C44-C61 PolarHBondContact SG-SG 3.25Å; V48-C61 HydrophobicContact CG1-CB 4.18Å; C61-R63 PolarHBondContact O-N 3.16Å
62A93.1Very high87.7Confident3 Ų357.2 Ų57.23%0.02533%0.327CS..PPolyproline II helixtrans-66.2131.4-179.600000110.9V48 R49 V51 V60 Q64 D76V48-A62 VanDerWaalsContact CG1-O 3.27Å; V48-A62 WeakPolarHBondContact CG1-O 3.3Å; R49-A62 HydrophobicContact CG-CB 4.24Å; R49-A62 WeakPolarHBondContact O-CB 3.2Å; R49-A62 PolarHBondContact O-N 2.91Å; V51-A62 HydrophobicContact CB-CB 4.4Å; V51-A62 HydrophobicContact CG1-CB 3.83Å; V51-A62 HydrophobicContact CG2-CB 3.66Å; V60-A62 PolarHBondContact O-N 3.21Å; A62-Q64 PolarHBondContact O-NE2 3.24Å; A62-D76 HydrophobicContact CB-CB 3.63Å
63R93.5Very high87.7Confident70 Ų7058 Ų5826%0.26433%0.327SS..BIsolated β-bridgetrans-70.8137.8178.7-63.9-68.7173179-5.6111.2C61 E67 K73 P74 C75 D76 C96C61-R63 PolarHBondContact O-N 3.16Å; R63-E67 VanDerWaalsContact CA-OE2 3.25Å; R63-E67 WeakPolarHBondContact CA-OE2 3.24Å; R63-E67 HydrophobicContact CB-CB 4.3Å; R63-E67 VanDerWaalsContact CD-OE2 3.23Å; R63-E67 WeakPolarHBondContact CD-OE2 3.43Å; R63-E67 IonicContact NH1-OE2 3.98Å; R63-K73 HydrophobicContact CG-CB 4.2Å; R63-P74 PolarHBondContact N-O 2.87Å; R63-C75 CarbonylContact O-C 3.6Å; R63-C75 WeakPolarHBondContact O-CA 3.1Å; R63-D76 PolarHBondContact O-N 3.18Å; R63-C96 WeakPolarHBondContact CB-SG 2.89Å
64Q92.8Very high88Confident49 Ų4958.5 Ų58.523%0.22933%0.331CS..PPolyproline II helixtrans-96.3169.9-175.5-58.7-57-55.700111.5V48 A62 G66 E67 C96V48-Q64 HydrophobicContact CG2-CG 3.77Å; A62-Q64 PolarHBondContact O-NE2 3.24Å; Q64-G66 PolarHBondContact O-N 2.99Å; Q64-E67 HydrophobicContact CB-CG 4.35Å; Q64-E67 PolarHBondContact N-OE2 2.72Å; Q64-E67 VanDerWaalsContact O-CB 3.31Å; Q64-E67 WeakPolarHBondContact O-CB 3.49Å; Q64-E67 WeakPolarHBondContact O-CG 3.4Å; Q64-E67 PolarHBondContact O-N 2.91Å; Q64-C96 WeakPolarHBondContact O-CB 3Å
65R90.4Very high88.8Confident191 Ų19156.6 Ų56.672%0.72131%0.31SS*.THydrogen-bonded Turntrans-53128.8-177-176.4-177.5176175.91.2111.2E67 L81 V98R65-E67 VanDerWaalsContact C-N 3.28Å; R65-E67 PolarHBondContact O-N 3.05Å; R65-L81 HydrophobicContact CB-CD1 4.35Å; R65-L81 HydrophobicContact CB-CD2 3.86Å; R65-L81 HydrophobicContact CG-CD2 4.29Å; R65-L81 VanDerWaalsContact N-CD1 3.31Å; R65-V98 HydrophobicContact CG-CG2 4.24Å
66G87.2Confident89.3Confident53 Ų5355.1 Ų55.155%0.54630%0.3SS..THydrogen-bonded Turntrans82.2-3.6179.400000114.9Q64 C96Q64-G66 PolarHBondContact O-N 2.99Å; G66-C96 PolarHBondContact N-O 3.45Å
67E92.2Very high89.5Confident75 Ų7558.4 Ų58.435%0.3531%0.306SS..SBendtrans-81.4152174.8-62.4-169.1141.400112.2R63 Q64 R65 C69 I95 C96R63-E67 VanDerWaalsContact CA-OE2 3.25Å; R63-E67 WeakPolarHBondContact CA-OE2 3.24Å; R63-E67 HydrophobicContact CB-CB 4.3Å; R63-E67 VanDerWaalsContact CD-OE2 3.23Å; R63-E67 WeakPolarHBondContact CD-OE2 3.43Å; R63-E67 IonicContact NH1-OE2 3.98Å; Q64-E67 HydrophobicContact CB-CG 4.35Å; Q64-E67 PolarHBondContact N-OE2 2.72Å; Q64-E67 VanDerWaalsContact O-CB 3.31Å; Q64-E67 WeakPolarHBondContact O-CB 3.49Å; Q64-E67 WeakPolarHBondContact O-CG 3.4Å; Q64-E67 PolarHBondContact O-N 2.91Å; R65-E67 VanDerWaalsContact C-N 3.28Å; R65-E67 PolarHBondContact O-N 3.05Å; E67-C69 PolarHBondContact O-N 2.91Å; E67-I95 WeakPolarHBondContact O-CA 3.06Å; E67-C96 PolarHBondContact O-N 3.5Å
68S90.6Very high89.3Confident82 Ų8261.3 Ų61.357%0.57333%0.326SS*.EExtended strand (participates in β ladder)trans-66.6131.7172.164.10000111.1G94S68-G94 CarbonylContact C-O 3.37Å; S68-G94 WeakPolarHBondContact CA-O 3.25Å
69C91.4Very high88.9Confident2 Ų263.5 Ų63.51%0.01434%0.342CS..EExtended strand (participates in β ladder)trans-123.7157179.8560000112.3E67 K73 C75 C83 T93 G94 I95 C96E67-C69 PolarHBondContact O-N 2.91Å; C69-K73 WeakPolarHBondContact CA-O 2.97Å; C69-K73 WeakPolarHBondContact CB-O 3.01Å; C69-C75 WeakPolarHBondContact CB-SG 3Å; C69-C83 HydrophobicContact CB-CB 3.87Å; C69-C83 WeakPolarHBondContact CB-SG 3.39Å; C69-C83 WeakPolarHBondContact SG-CA 3.14Å; C69-C83 WeakPolarHBondContact SG-CB 3.34Å; C69-C83 CovalentContact SG-SG 2.02Å; C69-C83 PolarHBondContact SG-SG 2.91Å; C69-T93 CarbonylContact O-C 3.57Å; C69-T93 WeakPolarHBondContact O-CA 3.4Å; C69-G94 PolarHBondContact N-O 2.76Å; C69-G94 PolarHBondContact O-N 3.4Å; C69-G94 PolarHBondContact SG-O 2.8Å; C69-G94 VanDerWaalsContact SG-O 3.37Å; C69-I95 PolarHBondContact SG-N 2.89Å; C69-C96 VanDerWaalsContact CB-SG 3.57Å
70S88.6Confident88.4Confident27 Ų2761.3 Ų61.319%0.18934%0.338CS..EExtended strand (participates in β ladder)trans-152.6177.9175.167.90000109.5L72 K73 Q92S70-L72 PolarHBondContact O-N 3.35Å; S70-K73 PolarHBondContact N-O 3.48Å; S70-K73 VanDerWaalsContact N-O 3.09Å; S70-K73 CarbonylContact O-C 3.11Å; S70-K73 PolarHBondContact O-N 2.76Å; S70-K73 VanDerWaalsContact O-O 3.09Å; S70-K73 PolarHBondContact OG-N 2.9Å; S70-Q92 WeakPolarHBondContact CB-O 3.41Å
71E83.9Confident88.3Confident88 Ų8860 Ų6041%0.41133%0.33SS..THydrogen-bonded Turntrans-58.3-37.1175.2-66.4-170164.400112.4G54 K73G54-E71 WeakPolarHBondContact CA-O 3.46Å; G54-E71 PolarHBondContact N-O 3.26Å; E71-K73 VanDerWaalsContact C-N 3.31Å; E71-K73 PolarHBondContact O-N 2.7Å
72L85.5Confident88.1Confident96 Ų9662.4 Ų62.450%0.50333%0.333SS..THydrogen-bonded Turntrans-80.4-12.8177.3-64.5172.2000113.6S70S70-L72 PolarHBondContact O-N 3.35Å
73K89.3Confident88Confident103 Ų10363.7 Ų63.745%0.44834%0.342SS..BIsolated β-bridgetrans-134.373.6-176.2-68.2174.2177.8179.30109.3R63 C69 S70 E71R63-K73 HydrophobicContact CG-CB 4.2Å; C69-K73 WeakPolarHBondContact CA-O 2.97Å; C69-K73 WeakPolarHBondContact CB-O 3.01Å; S70-K73 PolarHBondContact N-O 3.48Å; S70-K73 VanDerWaalsContact N-O 3.09Å; S70-K73 CarbonylContact O-C 3.11Å; S70-K73 PolarHBondContact O-N 2.76Å; S70-K73 VanDerWaalsContact O-O 3.09Å; S70-K73 PolarHBondContact OG-N 2.9Å; E71-K73 VanDerWaalsContact C-N 3.31Å; E71-K73 PolarHBondContact O-N 2.7Å
74P91.1Very high87.7Confident23 Ų2362.5 Ų62.515%0.14934%0.341CS..  trans-74.3153.2-175.228.4-31.9000112.6V51 L52 V60 R63V51-P74 HydrophobicContact CG2-CG 3.85Å; L52-P74 VanDerWaalsContact O-CG 3.3Å; L52-P74 WeakPolarHBondContact O-CG 3.2Å; V60-P74 HydrophobicContact CG2-CG 4.32Å; R63-P74 PolarHBondContact N-O 2.87Å
75C92.3Very high87.5Confident7 Ų763.2 Ų63.25%0.04734%0.341CS..BIsolated β-bridgetrans-71.6158.9172.9-55.90000112.2R63 C69 Q77 L81 C96R63-C75 CarbonylContact O-C 3.6Å; R63-C75 WeakPolarHBondContact O-CA 3.1Å; C69-C75 WeakPolarHBondContact CB-SG 3Å; C75-Q77 PolarHBondContact O-N 2.67Å; C75-L81 HydrophobicContact CB-CB 3.83Å; C75-C96 VanDerWaalsContact CA-SG 3.53Å; C75-C96 HydrophobicContact CB-CB 3.87Å; C75-C96 WeakPolarHBondContact CB-SG 3.41Å; C75-C96 WeakPolarHBondContact SG-CA 3.36Å; C75-C96 WeakPolarHBondContact SG-CB 3.39Å; C75-C96 CovalentContact SG-SG 2.03Å; C75-C96 PolarHBondContact SG-SG 2.78Å
76D91.2Very high86.9Confident3 Ų359 Ų592%0.01634%0.341CS..  trans-73.389.7174.3-169.72.6000112.8R49 A62 R63 S78 S79 L81R49-D76 IonicContact CZ-OD1 3.38Å; R49-D76 IonicContact NE-OD1 2.71Å; R49-D76 PolarHBondContact NE-OD1 2.95Å; R49-D76 IonicContact NE-OD2 3.93Å; R49-D76 IonicContact NH2-OD1 3.15Å; R49-D76 PolarHBondContact NH2-OD1 2.74Å; R49-D76 VanDerWaalsContact NH2-OD1 3.15Å; A62-D76 HydrophobicContact CB-CB 3.63Å; R63-D76 PolarHBondContact O-N 3.18Å; D76-S78 VanDerWaalsContact C-N 3.3Å; D76-S78 PolarHBondContact O-N 3.49Å; D76-S78 PolarHBondContact OD1-N 3.47Å; D76-S78 PolarHBondContact OD1-OG 3.28Å; D76-S79 PolarHBondContact O-N 3.43Å; D76-S79 VanDerWaalsContact O-N 3.08Å; D76-S79 PolarHBondContact OD2-OG 2.86Å; D76-L81 HydrophobicContact CB-CD1 4.25Å; D76-L81 WeakPolarHBondContact O-CB 3.27Å; D76-L81 PolarHBondContact O-N 2.85Å
77Q84.2Confident86.2Confident152 Ų15261 Ų6171%0.7135%0.353SS*.G310 helixtrans-61.8-30.5178.4-69178.1-4.900114.1C75 S79 G80C75-Q77 PolarHBondContact O-N 2.67Å; Q77-S79 PolarHBondContact O-N 3.3Å; Q77-G80 PolarHBondContact O-N 3.41Å
78S80Confident85.3Confident86 Ų8659 Ų5960%0.60135%0.345SS*.G310 helixtrans-71.2-19.3177.960.80000112.2R49 D76 G80R49-S78 WeakPolarHBondContact CD-OG 3.1Å; R49-S78 PolarHBondContact NE-OG 3.11Å; D76-S78 VanDerWaalsContact C-N 3.3Å; D76-S78 PolarHBondContact O-N 3.49Å; D76-S78 PolarHBondContact OD1-N 3.47Å; D76-S78 PolarHBondContact OD1-OG 3.28Å; S78-G80 VanDerWaalsContact C-N 3.3Å
79S78.4Confident84.3Confident68 Ų6861.7 Ų61.748%0.47636%0.36SS..G310 helixtrans-92.912.5172.9-59.80000112D76 Q77 L81D76-S79 PolarHBondContact O-N 3.43Å; D76-S79 VanDerWaalsContact O-N 3.08Å; D76-S79 PolarHBondContact OD2-OG 2.86Å; Q77-S79 PolarHBondContact O-N 3.3Å; S79-L81 VanDerWaalsContact C-N 3.31Å; S79-L81 PolarHBondContact O-N 3.44Å
80G78.6Confident83.5Confident31 Ų3164.5 Ų64.532%0.3238%0.38SS..THydrogen-bonded Turntrans73.518.5177.900000114.5Q77 S78 L99Q77-G80 PolarHBondContact O-N 3.41Å; S78-G80 VanDerWaalsContact C-N 3.3Å; G80-L99 PolarHBondContact O-N 3.43Å
81L87.4Confident82.7Confident8 Ų867.9 Ų67.94%0.04240%0.396CS..EExtended strand (participates in β ladder)trans-92.9133.4-179.8-57.9174.2000111.7R65 C75 D76 S79 M97 V98R65-L81 HydrophobicContact CB-CD1 4.35Å; R65-L81 HydrophobicContact CB-CD2 3.86Å; R65-L81 HydrophobicContact CG-CD2 4.29Å; R65-L81 VanDerWaalsContact N-CD1 3.31Å; C75-L81 HydrophobicContact CB-CB 3.83Å; D76-L81 HydrophobicContact CB-CD1 4.25Å; D76-L81 WeakPolarHBondContact O-CB 3.27Å; D76-L81 PolarHBondContact O-N 2.85Å; S79-L81 VanDerWaalsContact C-N 3.31Å; S79-L81 PolarHBondContact O-N 3.44Å; L81-M97 CarbonylContact C-O 3.51Å; L81-M97 VanDerWaalsContact CA-O 3.25Å; L81-M97 WeakPolarHBondContact CA-O 2.99Å; L81-V98 HydrophobicContact CD2-CB 4.32Å; L81-V98 HydrophobicContact CD2-CG2 3.56Å
82Y88.6Confident82.3Confident93 Ų9369.4 Ų69.437%0.36540%0.403SS..EExtended strand (participates in β ladder)trans-120155.9170.180.3-78.3000110.5D84 C96 M97 L99Y82-D84 HydrophobicContact CD2-CB 4.49Å; Y82-D84 HydrophobicContact CE2-CB 3.74Å; Y82-D84 PolarHBondContact O-N 3Å; Y82-C96 WeakPolarHBondContact O-CA 3.33Å; Y82-M97 HydrophobicContact CD1-CB 4.31Å; Y82-M97 WeakPolarHBondContact CD1-O 3.49Å; Y82-M97 HydrophobicContact CE1-CB 3.77Å; Y82-M97 PolarHBondContact N-O 2.88Å; Y82-M97 PolarHBondContact O-N 2.83Å; Y82-L99 HydrophobicContact CD1-CB 4.38Å; Y82-L99 HydrophobicContact CD1-CD2 3.62Å; Y82-L99 HydrophobicContact CD1-CG 3.63Å; Y82-L99 HydrophobicContact CE1-CD2 3.93Å; Y82-L99 HydrophobicContact CE1-CG 4.26Å; Y82-L99 HydrophobicContact CG-CD2 4.11Å; Y82-L99 HydrophobicContact CG-CG 4.26Å
83C90Very high82.2Confident31 Ų3168.6 Ų68.621%0.20940%0.402CS..EExtended strand (participates in β ladder)trans-86.8103.8178.9-171.20000109.7C69C69-C83 HydrophobicContact CB-CB 3.87Å; C69-C83 WeakPolarHBondContact CB-SG 3.39Å; C69-C83 WeakPolarHBondContact SG-CA 3.14Å; C69-C83 WeakPolarHBondContact SG-CB 3.34Å; C69-C83 CovalentContact SG-SG 2.02Å; C69-C83 PolarHBondContact SG-SG 2.91Å
84D88.6Confident82.3Confident45 Ų4564.2 Ų64.224%0.24139%0.386CS..EExtended strand (participates in β ladder)trans-82.7114.7175.9-1746.2000110.5Y82 S86 G94 I95 M97Y82-D84 HydrophobicContact CD2-CB 4.49Å; Y82-D84 HydrophobicContact CE2-CB 3.74Å; Y82-D84 PolarHBondContact O-N 3Å; D84-S86 WeakPolarHBondContact OD1-CB 3.47Å; D84-S86 PolarHBondContact OD1-N 2.94Å; D84-S86 PolarHBondContact OD1-OG 3.27Å; D84-S86 PolarHBondContact OD2-OG 2.91Å; D84-S86 VanDerWaalsContact OD2-OG 3.07Å; D84-G94 CarbonylContact O-C 3.57Å; D84-G94 WeakPolarHBondContact O-CA 3.43Å; D84-I95 PolarHBondContact N-O 2.05Å; D84-I95 PolarHBondContact O-N 3.4Å; D84-M97 HydrophobicContact CB-CB 4.18Å; D84-M97 HydrophobicContact CB-CG 3.66Å
85R87.3Confident82.3Confident63 Ų6367.3 Ų67.324%0.23840%0.4CS..  trans-106.19.2-178.5-58.5-179.9-178.3143.2-2.5112.7A87 D88 N91R85-A87 PolarHBondContact O-N 2.9Å; R85-D88 PolarHBondContact O-N 3.48Å; R85-N91 VanDerWaalsContact CB-OD1 3.29Å; R85-N91 WeakPolarHBondContact CB-OD1 3.47Å; R85-N91 WeakPolarHBondContact CD-O 2.99Å; R85-N91 WeakPolarHBondContact CD-OD1 3.44Å
86S79.3Confident82.2Confident102 Ų10267 Ų6771%0.71340%0.398SS*.THydrogen-bonded Turntrans-56.4-23.7-175.955.20000114.5D84D84-S86 WeakPolarHBondContact OD1-CB 3.47Å; D84-S86 PolarHBondContact OD1-N 2.94Å; D84-S86 PolarHBondContact OD1-OG 3.27Å; D84-S86 PolarHBondContact OD2-OG 2.91Å; D84-S86 VanDerWaalsContact OD2-OG 3.07Å
87A71.6Confident81.9Confident97 Ų9770.7 Ų70.780%0.80242%0.417SS*.THydrogen-bonded Turntrans-90.2-9.717800000115R85R85-A87 PolarHBondContact O-N 2.9Å
88D74.2Confident81.7Confident33 Ų3366.1 Ų66.118%0.17640%0.399CS..  trans-108.3111.3-174.8-177.73.9000111.8R85 S90 N91 Q92 T93R85-D88 PolarHBondContact O-N 3.48Å; D88-S90 PolarHBondContact O-N 2.84Å; D88-S90 WeakPolarHBondContact OD1-CB 3.37Å; D88-S90 PolarHBondContact OD1-N 2.04Å; D88-S90 PolarHBondContact OD1-OG 2.76Å; D88-S90 PolarHBondContact OD2-OG 3.3Å; D88-N91 PolarHBondContact O-N 2.74Å; D88-Q92 PolarHBondContact OD2-N 3.26Å; D88-T93 VanDerWaalsContact CB-O 3.23Å; D88-T93 WeakPolarHBondContact CB-O 3.44Å; D88-T93 PolarHBondContact OD2-N 3.45Å; D88-T93 PolarHBondContact OD2-OG1 2.87Å
89P68.3Low81.2Confident137 Ų13767.5 Ų67.589%0.8940%0.399SS*.THydrogen-bonded Turntrans-65.4-17.1178.425.3-31.6000113.7
90S74.3Confident80.5Confident62 Ų6272.2 Ų72.243%0.43441%0.413SS..THydrogen-bonded Turntrans-86.2-12.917577.60000113.5D88 Q92D88-S90 PolarHBondContact O-N 2.84Å; D88-S90 WeakPolarHBondContact OD1-CB 3.37Å; D88-S90 PolarHBondContact OD1-N 2.04Å; D88-S90 PolarHBondContact OD1-OG 2.76Å; D88-S90 PolarHBondContact OD2-OG 3.3Å; S90-Q92 WeakPolarHBondContact O-CG 3.45Å; S90-Q92 PolarHBondContact O-N 2.77Å; S90-Q92 VanDerWaalsContact O-N 3.11Å; S90-Q92 PolarHBondContact OG-N 2.06Å
91N71.9Confident79.8Confident98 Ų9871.4 Ų71.452%0.52441%0.405SS..SBendtrans54.121.6-175.4-160.622.3000114.2R85 D88R85-N91 VanDerWaalsContact CB-OD1 3.29Å; R85-N91 WeakPolarHBondContact CB-OD1 3.47Å; R85-N91 WeakPolarHBondContact CD-O 2.99Å; R85-N91 WeakPolarHBondContact CD-OD1 3.44Å; D88-N91 PolarHBondContact O-N 2.74Å
92Q75.8Confident79Confident119 Ų11976.5 Ų76.556%0.55643%0.432SS*.SBendtrans-93-30.8-178.5-66.3-172.6-14.400112.1S70 D88 S90S70-Q92 WeakPolarHBondContact CB-O 3.41Å; D88-Q92 PolarHBondContact OD2-N 3.26Å; S90-Q92 WeakPolarHBondContact O-CG 3.45Å; S90-Q92 PolarHBondContact O-N 2.77Å; S90-Q92 VanDerWaalsContact O-N 3.11Å; S90-Q92 PolarHBondContact OG-N 2.06Å
93T84.3Confident78.6Confident79 Ų7976.4 Ų76.449%0.48544%0.438SS..EExtended strand (participates in β ladder)trans-128.2151.2-176.754.70000111.6C69 D88C69-T93 CarbonylContact O-C 3.57Å; C69-T93 WeakPolarHBondContact O-CA 3.4Å; D88-T93 VanDerWaalsContact CB-O 3.23Å; D88-T93 WeakPolarHBondContact CB-O 3.44Å; D88-T93 PolarHBondContact OD2-N 3.45Å; D88-T93 PolarHBondContact OD2-OG1 2.87Å
94G90.6Very high78.3Confident11 Ų1175 Ų7511%0.11343%0.429CS..EExtended strand (participates in β ladder)trans-152.4-172.7179.100000111.8S68 C69 D84S68-G94 CarbonylContact C-O 3.37Å; S68-G94 WeakPolarHBondContact CA-O 3.25Å; C69-G94 PolarHBondContact N-O 2.76Å; C69-G94 PolarHBondContact O-N 3.4Å; C69-G94 PolarHBondContact SG-O 2.8Å; C69-G94 VanDerWaalsContact SG-O 3.37Å; D84-G94 CarbonylContact O-C 3.57Å; D84-G94 WeakPolarHBondContact O-CA 3.43Å
95I91.3Very high78.1Confident88 Ų8877.6 Ų77.645%0.45145%0.446SS..EExtended strand (participates in β ladder)trans-119.6137.7174.9-60.3179.7000109E67 C69 D84 M97E67-I95 WeakPolarHBondContact O-CA 3.06Å; C69-I95 PolarHBondContact SG-N 2.89Å; D84-I95 PolarHBondContact N-O 2.05Å; D84-I95 PolarHBondContact O-N 3.4Å; I95-M97 HydrophobicContact CG2-SD 4.28Å; I95-M97 PolarHBondContact O-N 3.17Å; I95-M97 VanDerWaalsContact O-N 3.13Å
96C90.6Very high78Confident0 Ų078.2 Ų78.20%045%0.45CS..EExtended strand (participates in β ladder)trans-69.7108.7175.5-67.30000111.1R63 Q64 G66 E67 C69 C75 Y82R63-C96 WeakPolarHBondContact CB-SG 2.89Å; Q64-C96 WeakPolarHBondContact O-CB 3Å; G66-C96 PolarHBondContact N-O 3.45Å; E67-C96 PolarHBondContact O-N 3.5Å; C69-C96 VanDerWaalsContact CB-SG 3.57Å; C75-C96 VanDerWaalsContact CA-SG 3.53Å; C75-C96 HydrophobicContact CB-CB 3.87Å; C75-C96 WeakPolarHBondContact CB-SG 3.41Å; C75-C96 WeakPolarHBondContact SG-CA 3.36Å; C75-C96 WeakPolarHBondContact SG-CB 3.39Å; C75-C96 CovalentContact SG-SG 2.03Å; C75-C96 PolarHBondContact SG-SG 2.78Å; Y82-C96 WeakPolarHBondContact O-CA 3.33Å
97M85Confident78.3Confident82 Ų8280.7 Ų80.740%0.40446%0.456SS..EExtended strand (participates in β ladder)trans-107.9150.1177.9-63.3-63.8-83.100109.2L81 Y82 D84 I95L81-M97 CarbonylContact C-O 3.51Å; L81-M97 VanDerWaalsContact CA-O 3.25Å; L81-M97 WeakPolarHBondContact CA-O 2.99Å; Y82-M97 HydrophobicContact CD1-CB 4.31Å; Y82-M97 WeakPolarHBondContact CD1-O 3.49Å; Y82-M97 HydrophobicContact CE1-CB 3.77Å; Y82-M97 PolarHBondContact N-O 2.88Å; Y82-M97 PolarHBondContact O-N 2.83Å; D84-M97 HydrophobicContact CB-CB 4.18Å; D84-M97 HydrophobicContact CB-CG 3.66Å; I95-M97 HydrophobicContact CG2-SD 4.28Å; I95-M97 PolarHBondContact O-N 3.17Å; I95-M97 VanDerWaalsContact O-N 3.13Å
98V80.1Confident78.8Confident56 Ų5679.5 Ų79.534%0.33945%0.453SS..EExtended strand (participates in β ladder)trans-72.9136.9169.1-177.30000106.5R65 L81 E100R65-V98 HydrophobicContact CG-CG2 4.24Å; L81-V98 HydrophobicContact CD2-CB 4.32Å; L81-V98 HydrophobicContact CD2-CG2 3.56Å; V98-E100 PolarHBondContact O-N 2.91Å
99L67.9Low79.4Confident114 Ų11481.4 Ų81.460%0.59747%0.465SS*.  trans-59.995.2160.1-77.1166.7000106.2G80 Y82 G101G80-L99 PolarHBondContact O-N 3.43Å; Y82-L99 HydrophobicContact CD1-CB 4.38Å; Y82-L99 HydrophobicContact CD1-CD2 3.62Å; Y82-L99 HydrophobicContact CD1-CG 3.63Å; Y82-L99 HydrophobicContact CE1-CD2 3.93Å; Y82-L99 HydrophobicContact CE1-CG 4.26Å; Y82-L99 HydrophobicContact CG-CD2 4.11Å; Y82-L99 HydrophobicContact CG-CG 4.26Å; L99-G101 PolarHBondContact O-N 2.87Å
100E65.7Low80.2Confident167 Ų16780.3 Ų80.378%0.7845%0.451SS*.  trans-58.2110.9162.3-75.1-169.3161.500104.5V98 D102V98-E100 PolarHBondContact O-N 2.91Å; E100-D102 PolarHBondContact O-N 2.85Å
101G62.4Low80.8Confident14 Ų1479 Ų7914%0.14444%0.437CS..PPolyproline II helixtrans-52.1139.2179.600000109.2L99 N103 S113 D129L99-G101 PolarHBondContact O-N 2.87Å; G101-N103 PolarHBondContact O-N 2.91Å; G101-S113 VanDerWaalsContact C-CB 3.4Å; G101-S113 VanDerWaalsContact CA-CB 3.46Å; G101-S113 WeakPolarHBondContact O-CB 3.35Å; G101-D129 WeakPolarHBondContact CA-OD1 3.04Å
102D72.1Confident81.4Confident116 Ų11683.2 Ų83.262%0.6245%0.445SS*.PPolyproline II helixtrans-50.8136-177.2-70.6-33.9000110.4E100 G130E100-D102 PolarHBondContact O-N 2.85Å; D102-G130 WeakPolarHBondContact O-CA 3.01Å; D102-G130 PolarHBondContact O-N 3.12Å
103N78.9Confident81.7Confident91 Ų9179.6 Ų79.649%0.48743%0.433SS..PPolyproline II helixtrans-67.9144.9174.6-62.2-42.2000109G101 I110 Y111 R112G101-N103 PolarHBondContact O-N 2.91Å; N103-I110 HydrophobicContact CB-CG2 3.82Å; N103-Y111 CarbonylContact C-O 3.53Å; N103-Y111 WeakPolarHBondContact CA-O 3.44Å; N103-Y111 WeakPolarHBondContact CB-O 3.39Å; N103-R112 WeakPolarHBondContact OD1-CA 3.28Å
104C84.4Confident81.6Confident2 Ų278.2 Ų78.21%0.01444%0.435CS..EExtended strand (participates in β ladder)trans-98147.4175.7-49.10000110.1I110 Y111 C127 Q131 I132C104-I110 CarbonylContact O-C 3.6Å; C104-I110 WeakPolarHBondContact O-CA 3.33Å; C104-Y111 PolarHBondContact N-O 3.15Å; C104-Y111 PolarHBondContact O-N 3.43Å; C104-C127 HydrophobicContact CB-CB 3.68Å; C104-C127 WeakPolarHBondContact CB-SG 3.04Å; C104-C127 PolarHBondContact N-SG 2.86Å; C104-C127 WeakPolarHBondContact SG-CA 3.27Å; C104-C127 WeakPolarHBondContact SG-CB 3.48Å; C104-C127 CovalentContact SG-SG 2.03Å; C104-C127 PolarHBondContact SG-SG 2.84Å; C104-Q131 PolarHBondContact SG-N 2.79Å; C104-Q131 PolarHBondContact SG-O 3.26Å; C104-Q131 VanDerWaalsContact SG-O 3.37Å; C104-I132 HydrophobicContact CB-CD1 3.77Å; C104-I132 HydrophobicContact CB-CG1 3.5Å; C104-I132 VanDerWaalsContact CB-CG1 3.5Å
105V84.8Confident81.4Confident99 Ų9981.4 Ų81.460%0.645%0.447SS*.EExtended strand (participates in β ladder)trans-111.9120.1170.7-176.20000108.4V109 I110V105-V109 WeakPolarHBondContact CA-O 3.33Å; V105-I110 HydrophobicContact CG2-CG1 4.32Å
106F85.5Confident81.4Confident75 Ų7583.6 Ų83.633%0.32945%0.453SS..EExtended strand (participates in β ladder)trans-130.2123.8174.7-169.8-99.7000109.4G108 V109 Y111 F117 P119 I132F106-G108 PolarHBondContact O-N 3.09Å; F106-V109 PolarHBondContact N-O 2.03Å; F106-V109 PolarHBondContact O-N 3.07Å; F106-Y111 HydrophobicContact CB-CD2 4.02Å; F106-Y111 HydrophobicContact CB-CE2 3.77Å; F106-F117 HydrophobicContact CB-CE2 4.2Å; F106-F117 HydrophobicContact CB-CZ 3.88Å; F106-F117 AromaticContact CD1-CE2 3.5Å; F106-F117 HydrophobicContact CD1-CE2 3.5Å; F106-F117 AromaticContact CD1-CZ 3.98Å; F106-F117 HydrophobicContact CD1-CZ 3.98Å; F106-F117 HydrophobicContact CD2-CZ 4.48Å; F106-F117 HydrophobicContact CE1-CE2 4.01Å; F106-F117 AromaticContact CG-CE2 3.88Å; F106-F117 HydrophobicContact CG-CE2 3.88Å; F106-F117 AromaticContact CG-CZ 3.85Å; F106-F117 HydrophobicContact CG-CZ 3.85Å; F106-P119 HydrophobicContact CD1-CB 4.44Å; F106-P119 HydrophobicContact CE1-CB 3.61Å; F106-P119 HydrophobicContact CE1-CG 4.29Å; F106-P119 HydrophobicContact CZ-CB 4.27Å; F106-I132 HydrophobicContact CB-CD1 3.57Å; F106-I132 HydrophobicContact CD2-CD1 3.85Å; F106-I132 HydrophobicContact CD2-CG2 4.5Å; F106-I132 HydrophobicContact CG-CD1 4.12Å
107D85.1Confident81.5Confident155 Ų15584.4 Ų84.483%0.82946%0.457SS*.THydrogen-bonded Turntrans52.539.3180-158.428.5000113.6V109D107-V109 PolarHBondContact O-N 2.91Å
108G82.6Confident82Confident72 Ų7285.1 Ų85.174%0.74246%0.459SS*.THydrogen-bonded Turntrans76.4-1.1-178.600000115.5F106F106-G108 PolarHBondContact O-N 3.09Å
109V86.8Confident82.4Confident72 Ų7284.9 Ų84.944%0.43646%0.459SS..EExtended strand (participates in β ladder)trans-99.3136.6176.5-176.70000110.2V105 F106 D107 Y111V105-V109 WeakPolarHBondContact CA-O 3.33Å; F106-V109 PolarHBondContact N-O 2.03Å; F106-V109 PolarHBondContact O-N 3.07Å; D107-V109 PolarHBondContact O-N 2.91Å; V109-Y111 HydrophobicContact CB-CE2 3.73Å; V109-Y111 HydrophobicContact CG1-CD2 4.4Å; V109-Y111 HydrophobicContact CG1-CE1 4.26Å; V109-Y111 HydrophobicContact CG1-CE2 3.79Å; V109-Y111 WeakPolarHBondContact O-CD2 3.36Å
110I84.6Confident83.4Confident115 Ų11583 Ų8359%0.5945%0.449SS*.EExtended strand (participates in β ladder)trans-91.3121.5178-56.1174000108.9N103 C104 V105N103-I110 HydrophobicContact CB-CG2 3.82Å; C104-I110 CarbonylContact O-C 3.6Å; C104-I110 WeakPolarHBondContact O-CA 3.33Å; V105-I110 HydrophobicContact CG2-CG1 4.32Å
111Y85.7Confident84.6Confident35 Ų3578 Ų7814%0.13743%0.432CS..EExtended strand (participates in β ladder)trans-110.1134.8176.3-64.8-82.9000110.1N103 C104 F106 V109 E115 F117 C127N103-Y111 CarbonylContact C-O 3.53Å; N103-Y111 WeakPolarHBondContact CA-O 3.44Å; N103-Y111 WeakPolarHBondContact CB-O 3.39Å; C104-Y111 PolarHBondContact N-O 3.15Å; C104-Y111 PolarHBondContact O-N 3.43Å; F106-Y111 HydrophobicContact CB-CD2 4.02Å; F106-Y111 HydrophobicContact CB-CE2 3.77Å; V109-Y111 HydrophobicContact CB-CE2 3.73Å; V109-Y111 HydrophobicContact CG1-CD2 4.4Å; V109-Y111 HydrophobicContact CG1-CE1 4.26Å; V109-Y111 HydrophobicContact CG1-CE2 3.79Å; V109-Y111 WeakPolarHBondContact O-CD2 3.36Å; Y111-E115 WeakPolarHBondContact CA-OE2 3.34Å; Y111-E115 HydrophobicContact CD1-CG 4.2Å; Y111-F117 HydrophobicContact CD1-CB 3.95Å; Y111-F117 AromaticContact CD1-CD1 3.49Å; Y111-F117 HydrophobicContact CD1-CD1 3.49Å; Y111-F117 VanDerWaalsContact CD1-CD1 3.49Å; Y111-F117 HydrophobicContact CD1-CE1 4.11Å; Y111-F117 AromaticContact CD1-CG 3.8Å; Y111-F117 HydrophobicContact CD1-CG 3.8Å; Y111-F117 HydrophobicContact CD2-CD1 4.13Å; Y111-F117 AromaticContact CD2-CE1 3.93Å; Y111-F117 HydrophobicContact CD2-CE1 3.93Å; Y111-F117 HydrophobicContact CD2-CZ 4.2Å; Y111-F117 HydrophobicContact CE1-CB 3.36Å; Y111-F117 AromaticContact CE1-CD1 3.59Å; Y111-F117 HydrophobicContact CE1-CD1 3.59Å; Y111-F117 AromaticContact CE1-CD2 3.95Å; Y111-F117 HydrophobicContact CE1-CD2 3.95Å; Y111-F117 HydrophobicContact CE1-CE1 4.33Å; Y111-F117 AromaticContact CE1-CG 3.37Å; Y111-F117 HydrophobicContact CE1-CG 3.37Å; Y111-F117 HydrophobicContact CE2-CD1 4.23Å; Y111-F117 HydrophobicContact CE2-CD2 4.17Å; Y111-F117 HydrophobicContact CE2-CE1 4.17Å; Y111-F117 HydrophobicContact CE2-CE2 4.12Å; Y111-F117 HydrophobicContact CE2-CG 4.23Å; Y111-F117 HydrophobicContact CE2-CZ 4.1Å; Y111-F117 AromaticContact CG-CD1 3.76Å; Y111-F117 HydrophobicContact CG-CD1 3.76Å; Y111-F117 AromaticContact CG-CE1 3.89Å; Y111-F117 HydrophobicContact CG-CE1 3.89Å; Y111-F117 HydrophobicContact CG-CG 4.37Å; Y111-F117 AromaticContact CZ-CD1 3.95Å; Y111-F117 AromaticContact CZ-CD2 3.66Å; Y111-F117 AromaticContact CZ-CG 3.6Å; Y111-C127 PolarHBondContact O-SG 3.37Å
112R86.1Confident85.8Confident185 Ų18580.6 Ų80.670%0.69844%0.441SS*.  trans-74.3150.1178.7-63.2-179.6-179.2178.2-0.5111.3N103 G114 E115 C127N103-R112 WeakPolarHBondContact OD1-CA 3.28Å; R112-G114 PolarHBondContact O-N 2.76Å; R112-E115 HydrophobicContact CB-CB 4.4Å; R112-E115 PolarHBondContact N-OE2 3.17Å; R112-E115 WeakPolarHBondContact O-CB 3.3Å; R112-E115 PolarHBondContact O-N 3.07Å; R112-C127 WeakPolarHBondContact O-CB 3.39Å
113S80.5Confident86.6Confident43 Ų4379.6 Ų79.630%0.30143%0.429SS..THydrogen-bonded Turntrans-59126.5172.7-174.60000110.6G101 D129G101-S113 VanDerWaalsContact C-CB 3.4Å; G101-S113 VanDerWaalsContact CA-CB 3.46Å; G101-S113 WeakPolarHBondContact O-CB 3.35Å; S113-D129 PolarHBondContact OG-N 3.03Å; S113-D129 PolarHBondContact OG-OD1 2.93Å; S113-D129 VanDerWaalsContact OG-OD1 3.08Å
114G82.5Confident87.2Confident51 Ų5180.9 Ų80.953%0.52643%0.427SS..THydrogen-bonded Turntrans95.3-12.7-171.400000115R112 C127R112-G114 PolarHBondContact O-N 2.76Å; G114-C127 WeakPolarHBondContact CA-O 3.01Å; G114-C127 PolarHBondContact N-O 3.39Å
115E86.8Confident87.6Confident77 Ų7780.9 Ų80.936%0.3643%0.427SS..  trans-72.3136.9-179.4-166.9172.5168.100111.6Y111 R112 A126 C127Y111-E115 WeakPolarHBondContact CA-OE2 3.34Å; Y111-E115 HydrophobicContact CD1-CG 4.2Å; R112-E115 HydrophobicContact CB-CB 4.4Å; R112-E115 PolarHBondContact N-OE2 3.17Å; R112-E115 WeakPolarHBondContact O-CB 3.3Å; R112-E115 PolarHBondContact O-N 3.07Å; E115-A126 CarbonylContact O-C 3.54Å; E115-A126 VanDerWaalsContact O-CA 3.29Å; E115-A126 WeakPolarHBondContact O-CA 3.29Å; E115-C127 PolarHBondContact O-N 2.04Å
116K91.9Very high88Confident135 Ų13577.3 Ų77.359%0.58741%0.408SS*.EExtended strand (participates in β ladder)trans-113.4132178.9-61.3177.3-174.4172.60109.3C125 A126K116-C125 CarbonylContact C-O 3.52Å; K116-C125 VanDerWaalsContact CA-O 3.27Å; K116-C125 WeakPolarHBondContact CA-O 3.45Å; K116-A126 HydrophobicContact CG-CB 4.09Å
117F93.1Very high88.1Confident16 Ų1673.8 Ų73.87%0.0739%0.392CS..EExtended strand (participates in β ladder)trans-137.9157.5-178.965.4-85000111.1F106 Y111 P119 C125 I132F106-F117 HydrophobicContact CB-CE2 4.2Å; F106-F117 HydrophobicContact CB-CZ 3.88Å; F106-F117 AromaticContact CD1-CE2 3.5Å; F106-F117 HydrophobicContact CD1-CE2 3.5Å; F106-F117 AromaticContact CD1-CZ 3.98Å; F106-F117 HydrophobicContact CD1-CZ 3.98Å; F106-F117 HydrophobicContact CD2-CZ 4.48Å; F106-F117 HydrophobicContact CE1-CE2 4.01Å; F106-F117 AromaticContact CG-CE2 3.88Å; F106-F117 HydrophobicContact CG-CE2 3.88Å; F106-F117 AromaticContact CG-CZ 3.85Å; F106-F117 HydrophobicContact CG-CZ 3.85Å; Y111-F117 HydrophobicContact CD1-CB 3.95Å; Y111-F117 AromaticContact CD1-CD1 3.49Å; Y111-F117 HydrophobicContact CD1-CD1 3.49Å; Y111-F117 VanDerWaalsContact CD1-CD1 3.49Å; Y111-F117 HydrophobicContact CD1-CE1 4.11Å; Y111-F117 AromaticContact CD1-CG 3.8Å; Y111-F117 HydrophobicContact CD1-CG 3.8Å; Y111-F117 HydrophobicContact CD2-CD1 4.13Å; Y111-F117 AromaticContact CD2-CE1 3.93Å; Y111-F117 HydrophobicContact CD2-CE1 3.93Å; Y111-F117 HydrophobicContact CD2-CZ 4.2Å; Y111-F117 HydrophobicContact CE1-CB 3.36Å; Y111-F117 AromaticContact CE1-CD1 3.59Å; Y111-F117 HydrophobicContact CE1-CD1 3.59Å; Y111-F117 AromaticContact CE1-CD2 3.95Å; Y111-F117 HydrophobicContact CE1-CD2 3.95Å; Y111-F117 HydrophobicContact CE1-CE1 4.33Å; Y111-F117 AromaticContact CE1-CG 3.37Å; Y111-F117 HydrophobicContact CE1-CG 3.37Å; Y111-F117 HydrophobicContact CE2-CD1 4.23Å; Y111-F117 HydrophobicContact CE2-CD2 4.17Å; Y111-F117 HydrophobicContact CE2-CE1 4.17Å; Y111-F117 HydrophobicContact CE2-CE2 4.12Å; Y111-F117 HydrophobicContact CE2-CG 4.23Å; Y111-F117 HydrophobicContact CE2-CZ 4.1Å; Y111-F117 AromaticContact CG-CD1 3.76Å; Y111-F117 HydrophobicContact CG-CD1 3.76Å; Y111-F117 AromaticContact CG-CE1 3.89Å; Y111-F117 HydrophobicContact CG-CE1 3.89Å; Y111-F117 HydrophobicContact CG-CG 4.37Å; Y111-F117 AromaticContact CZ-CD1 3.95Å; Y111-F117 AromaticContact CZ-CD2 3.66Å; Y111-F117 AromaticContact CZ-CG 3.6Å; F117-P119 HydrophobicContact CD2-CB 4.38Å; F117-P119 HydrophobicContact CD2-CG 4.48Å; F117-P119 HydrophobicContact CE2-CB 4.25Å; F117-P119 HydrophobicContact CE2-CG 4.28Å; F117-C125 HydrophobicContact CD1-CB 4.11Å; F117-C125 HydrophobicContact CD2-CB 4.08Å; F117-C125 HydrophobicContact CE1-CB 3.67Å; F117-C125 HydrophobicContact CE2-CB 3.64Å; F117-C125 HydrophobicContact CG-CB 4.3Å; F117-C125 HydrophobicContact CZ-CB 3.43Å; F117-C125 VanDerWaalsContact CZ-CB 3.43Å; F117-C125 PolarHBondContact N-O 2.96Å; F117-C125 PolarHBondContact O-N 3.45Å; F117-I132 HydrophobicContact CE1-CG2 4.28Å; F117-I132 HydrophobicContact CZ-CG1 4.48Å; F117-I132 HydrophobicContact CZ-CG2 3.85Å
118E93.6Very high88.1Confident97 Ų9774.8 Ų74.845%0.45338%0.384SS..EExtended strand (participates in β ladder)trans-117.993.2179.2-63.3-167.1151.600108.3N120 R124 R137E118-N120 PolarHBondContact O-N 2.8Å; E118-R124 HydrophobicContact CG-CB 4.39Å; E118-R124 HydrophobicContact CG-CG 4.18Å; E118-R137 IonicContact OE1-CZ 2.67Å; E118-R137 IonicContact OE1-NE 3.35Å; E118-R137 IonicContact OE1-NH1 3.71Å; E118-R137 PolarHBondContact OE1-NH1 3.08Å; E118-R137 VanDerWaalsContact OE1-NH1 3.07Å; E118-R137 IonicContact OE1-NH2 3.73Å; E118-R137 IonicContact OE2-CZ 2.68Å; E118-R137 IonicContact OE2-NH1 3.92Å; E118-R137 PolarHBondContact OE2-NH1 2.92Å
119P89.5Confident88Confident52 Ų5276.6 Ų76.634%0.33838%0.377SS..EExtended strand (participates in β ladder)trans-64.9-25.2-176.527.9-36.4000112.3F106 F117 C125F106-P119 HydrophobicContact CD1-CB 4.44Å; F106-P119 HydrophobicContact CE1-CB 3.61Å; F106-P119 HydrophobicContact CE1-CG 4.29Å; F106-P119 HydrophobicContact CZ-CB 4.27Å; F117-P119 HydrophobicContact CD2-CB 4.38Å; F117-P119 HydrophobicContact CD2-CG 4.48Å; F117-P119 HydrophobicContact CE2-CB 4.25Å; F117-P119 HydrophobicContact CE2-CG 4.28Å; P119-C125 VanDerWaalsContact CG-SG 3.58Å
120N88.8Confident87.5Confident74 Ų7475 Ų7540%0.39638%0.375SS..EExtended strand (participates in β ladder)trans-154176.7167.859.153.6000108.7E118 Q122 Y123E118-N120 PolarHBondContact O-N 2.8Å; N120-Q122 PolarHBondContact O-N 3.46Å; N120-Q122 WeakPolarHBondContact OD1-CA 3.41Å; N120-Q122 VanDerWaalsContact OD1-CB 3.31Å; N120-Q122 WeakPolarHBondContact OD1-CB 3.22Å; N120-Q122 PolarHBondContact OD1-N 3.41Å; N120-Y123 PolarHBondContact O-N 3.1Å; N120-Y123 WeakPolarHBondContact OD1-CD2 3.44Å; N120-Y123 PolarHBondContact OD1-N 3.27Å
121C90.5Very high87.3Confident63 Ų6376.8 Ų76.843%0.42638%0.381SS..THydrogen-bonded Turntrans-66-20.9-178.376.10000113.2R137 C161C121-R137 WeakPolarHBondContact O-CD 3.44Å; C121-C161 VanDerWaalsContact CA-SG 3.53Å; C121-C161 HydrophobicContact CB-CB 3.73Å; C121-C161 WeakPolarHBondContact CB-SG 3.45Å; C121-C161 PolarHBondContact O-SG 2.83Å; C121-C161 WeakPolarHBondContact SG-CA 3.43Å; C121-C161 WeakPolarHBondContact SG-CB 3.27Å; C121-C161 CovalentContact SG-SG 2.03Å; C121-C161 PolarHBondContact SG-SG 3.42Å
122Q87.6Confident87.5Confident67 Ų6777.4 Ų77.431%0.31339%0.386SS..THydrogen-bonded Turntrans-86.9-19.2-175.5-59.1-176.8-17.400113.2N120 P136 R137 C161N120-Q122 PolarHBondContact O-N 3.46Å; N120-Q122 WeakPolarHBondContact OD1-CA 3.41Å; N120-Q122 VanDerWaalsContact OD1-CB 3.31Å; N120-Q122 WeakPolarHBondContact OD1-CB 3.22Å; N120-Q122 PolarHBondContact OD1-N 3.41Å; Q122-P136 CarbonylContact O-C 3.53Å; Q122-R137 PolarHBondContact O-N 2.93Å; Q122-C161 PolarHBondContact N-SG 3.19Å; Q122-C161 VanDerWaalsContact N-SG 3.43Å; Q122-C161 PolarHBondContact NE2-O 3.02Å
123Y88.6Confident87.5Confident95 Ų9570.9 Ų70.937%0.37338%0.376SS..EExtended strand (participates in β ladder)trans-129.4143.2-175.5-69.8-83.7000112.1N120 C134 P136N120-Y123 PolarHBondContact O-N 3.1Å; N120-Y123 WeakPolarHBondContact OD1-CD2 3.44Å; N120-Y123 PolarHBondContact OD1-N 3.27Å; Y123-C134 HydrophobicContact CD1-CB 4.38Å; Y123-P136 HydrophobicContact CD1-CB 4.49Å; Y123-P136 HydrophobicContact CE1-CB 4.23Å
124R93.3Very high88Confident119 Ų11971.6 Ų71.645%0.44938%0.38SS..EExtended strand (participates in β ladder)trans-121.6123.1168.7-176.7175-175.8179.86.8108.8E118 C134 V135 R137E118-R124 HydrophobicContact CG-CB 4.39Å; E118-R124 HydrophobicContact CG-CG 4.18Å; R124-C134 CarbonylContact O-C 3.52Å; R124-C134 WeakPolarHBondContact O-CA 3.42Å; R124-V135 HydrophobicContact CB-CG2 4.2Å; R124-V135 PolarHBondContact N-O 2.98Å; R124-V135 WeakPolarHBondContact O-CG2 3.04Å; R124-V135 PolarHBondContact O-N 3.41Å; R124-R137 HydrophobicContact CB-CG 4.1Å
125C91.6Very high88.4Confident2 Ų273.4 Ų73.41%0.01438%0.381CS..EExtended strand (participates in β ladder)trans-113.5157.2-175.3-55.80000111.5K116 F117 P119 I132 G133 C134K116-C125 CarbonylContact C-O 3.52Å; K116-C125 VanDerWaalsContact CA-O 3.27Å; K116-C125 WeakPolarHBondContact CA-O 3.45Å; F117-C125 HydrophobicContact CD1-CB 4.11Å; F117-C125 HydrophobicContact CD2-CB 4.08Å; F117-C125 HydrophobicContact CE1-CB 3.67Å; F117-C125 HydrophobicContact CE2-CB 3.64Å; F117-C125 HydrophobicContact CG-CB 4.3Å; F117-C125 HydrophobicContact CZ-CB 3.43Å; F117-C125 VanDerWaalsContact CZ-CB 3.43Å; F117-C125 PolarHBondContact N-O 2.96Å; F117-C125 PolarHBondContact O-N 3.45Å; P119-C125 VanDerWaalsContact CG-SG 3.58Å; C125-I132 HydrophobicContact CB-CG2 4.05Å; C125-G133 CarbonylContact C-O 3.56Å; C125-G133 VanDerWaalsContact CA-O 3.25Å; C125-G133 WeakPolarHBondContact CA-O 2.96Å; C125-C134 HydrophobicContact CB-CB 4.1Å; C125-C134 WeakPolarHBondContact CB-SG 3.43Å; C125-C134 WeakPolarHBondContact SG-CB 3.37Å; C125-C134 CovalentContact SG-SG 2.04Å; C125-C134 PolarHBondContact SG-SG 2.79Å
126A93.1Very high88.6Confident24 Ų2472.8 Ų72.820%0.19838%0.384CS..EExtended strand (participates in β ladder)trans-138.1136.2171.800000109.7E115 K116 I132 G133E115-A126 CarbonylContact O-C 3.54Å; E115-A126 VanDerWaalsContact O-CA 3.29Å; E115-A126 WeakPolarHBondContact O-CA 3.29Å; K116-A126 HydrophobicContact CG-CB 4.09Å; A126-I132 WeakPolarHBondContact O-CA 3.44Å; A126-G133 PolarHBondContact N-O 2.91Å; A126-G133 PolarHBondContact O-N 3.09Å
127C87.6Confident88.5Confident0 Ų072.6 Ų72.60%038%0.379CS..EExtended strand (participates in β ladder)trans-83.8130.6168.2175.50000109.3C104 Y111 R112 G114 E115C104-C127 HydrophobicContact CB-CB 3.68Å; C104-C127 WeakPolarHBondContact CB-SG 3.04Å; C104-C127 PolarHBondContact N-SG 2.86Å; C104-C127 WeakPolarHBondContact SG-CA 3.27Å; C104-C127 WeakPolarHBondContact SG-CB 3.48Å; C104-C127 CovalentContact SG-SG 2.03Å; C104-C127 PolarHBondContact SG-SG 2.84Å; Y111-C127 PolarHBondContact O-SG 3.37Å; R112-C127 WeakPolarHBondContact O-CB 3.39Å; G114-C127 WeakPolarHBondContact CA-O 3.01Å; G114-C127 PolarHBondContact N-O 3.39Å; E115-C127 PolarHBondContact O-N 2.04Å
128R85.3Confident88.3Confident176 Ų17672.9 Ų72.966%0.66438%0.383SS*.EExtended strand (participates in β ladder)trans-142.5117.8169.5-70.6-170.5177.3-157.5-2.4108.6G130 Q131R128-G130 VanDerWaalsContact C-N 3.31Å; R128-G130 PolarHBondContact O-N 2.73Å; R128-Q131 PolarHBondContact N-O 3.46Å; R128-Q131 PolarHBondContact O-N 3.04Å
129D79.8Confident87.6Confident111 Ų11175.7 Ų75.759%0.59440%0.396SS*.THydrogen-bonded Turntrans49.850.3171.3-48.2-34.1000112.5G101 S113 Q131G101-D129 WeakPolarHBondContact CA-OD1 3.04Å; S113-D129 PolarHBondContact OG-N 3.03Å; S113-D129 PolarHBondContact OG-OD1 2.93Å; S113-D129 VanDerWaalsContact OG-OD1 3.08Å; D129-Q131 PolarHBondContact O-N 2.8Å
130G78Confident87Confident38 Ų3878.9 Ų78.939%0.39241%0.41SS..THydrogen-bonded Turntrans81.6-5.6177.700000114.7D102 R128D102-G130 WeakPolarHBondContact O-CA 3.01Å; D102-G130 PolarHBondContact O-N 3.12Å; R128-G130 VanDerWaalsContact C-N 3.31Å; R128-G130 PolarHBondContact O-N 2.73Å
131Q79.4Confident86.4Confident152 Ų15278.6 Ų78.671%0.7141%0.408SS*.EExtended strand (participates in β ladder)trans-110.9138.8-179.6-163.617142.100112.5C104 R128 D129C104-Q131 PolarHBondContact SG-N 2.79Å; C104-Q131 PolarHBondContact SG-O 3.26Å; C104-Q131 VanDerWaalsContact SG-O 3.37Å; R128-Q131 PolarHBondContact N-O 3.46Å; R128-Q131 PolarHBondContact O-N 3.04Å; D129-Q131 PolarHBondContact O-N 2.8Å
132I89.6Confident85.7Confident49 Ų4981.2 Ų81.225%0.25142%0.422SS..EExtended strand (participates in β ladder)trans-100.9120.7176.9-65.9151000109.2C104 F106 F117 C125 A126C104-I132 HydrophobicContact CB-CD1 3.77Å; C104-I132 HydrophobicContact CB-CG1 3.5Å; C104-I132 VanDerWaalsContact CB-CG1 3.5Å; F106-I132 HydrophobicContact CB-CD1 3.57Å; F106-I132 HydrophobicContact CD2-CD1 3.85Å; F106-I132 HydrophobicContact CD2-CG2 4.5Å; F106-I132 HydrophobicContact CG-CD1 4.12Å; F117-I132 HydrophobicContact CE1-CG2 4.28Å; F117-I132 HydrophobicContact CZ-CG1 4.48Å; F117-I132 HydrophobicContact CZ-CG2 3.85Å; C125-I132 HydrophobicContact CB-CG2 4.05Å; A126-I132 WeakPolarHBondContact O-CA 3.44Å
133G87.3Confident85.1Confident47 Ų4781.3 Ų81.349%0.48542%0.424SS..EExtended strand (participates in β ladder)trans-107.9125170.100000110.5C125 A126C125-G133 CarbonylContact C-O 3.56Å; C125-G133 VanDerWaalsContact CA-O 3.25Å; C125-G133 WeakPolarHBondContact CA-O 2.96Å; A126-G133 PolarHBondContact N-O 2.91Å; A126-G133 PolarHBondContact O-N 3.09Å
134C89.6Confident84.3Confident58 Ų5881.5 Ų81.539%0.39243%0.431SS..EExtended strand (participates in β ladder)trans-113.7137.9176.8-590000111.3Y123 R124 C125Y123-C134 HydrophobicContact CD1-CB 4.38Å; R124-C134 CarbonylContact O-C 3.52Å; R124-C134 WeakPolarHBondContact O-CA 3.42Å; C125-C134 HydrophobicContact CB-CB 4.1Å; C125-C134 WeakPolarHBondContact CB-SG 3.43Å; C125-C134 WeakPolarHBondContact SG-CB 3.37Å; C125-C134 CovalentContact SG-SG 2.04Å; C125-C134 PolarHBondContact SG-SG 2.79Å
135V91.1Very high83.5Confident90 Ų9079.2 Ų79.255%0.54543%0.432SS..EExtended strand (participates in β ladder)trans-113.3137.5172-64.50000110R124R124-V135 HydrophobicContact CB-CG2 4.2Å; R124-V135 PolarHBondContact N-O 2.98Å; R124-V135 WeakPolarHBondContact O-CG2 3.04Å; R124-V135 PolarHBondContact O-N 3.41Å
136P91.1Very high82.6Confident63 Ų6380.4 Ų80.441%0.40944%0.444SS..EExtended strand (participates in β ladder)trans-70.1135.4175.429.4-33.4000110.1Q122 Y123 L140Q122-P136 CarbonylContact O-C 3.53Å; Y123-P136 HydrophobicContact CD1-CB 4.49Å; Y123-P136 HydrophobicContact CE1-CB 4.23Å; P136-L140 HydrophobicContact CB-CD1 3.99Å; P136-L140 HydrophobicContact CB-CG 4.38Å; P136-L140 HydrophobicContact CG-CD1 3.71Å; P136-L140 HydrophobicContact CG-CG 4.45Å
137R90.1Very high81.4Confident131 Ų13182.7 Ų82.749%0.49446%0.457SS..SBendtrans-87.5-23173.4-64.8-179.263.1-178.510.2112.3E118 C121 Q122 R124E118-R137 IonicContact OE1-CZ 2.67Å; E118-R137 IonicContact OE1-NE 3.35Å; E118-R137 IonicContact OE1-NH1 3.71Å; E118-R137 PolarHBondContact OE1-NH1 3.08Å; E118-R137 VanDerWaalsContact OE1-NH1 3.07Å; E118-R137 IonicContact OE1-NH2 3.73Å; E118-R137 IonicContact OE2-CZ 2.68Å; E118-R137 IonicContact OE2-NH1 3.92Å; E118-R137 PolarHBondContact OE2-NH1 2.92Å; C121-R137 WeakPolarHBondContact O-CD 3.44Å; Q122-R137 PolarHBondContact O-N 2.93Å; R124-R137 HydrophobicContact CB-CG 4.1Å
138C88.1Confident80.5Confident22 Ų2290.1 Ų90.115%0.14950%0.497CS..SBendtrans-87150.4175.8-61.40000111.4L140 C162C138-L140 PolarHBondContact O-N 2.89Å; C138-C162 WeakPolarHBondContact CA-SG 3.25Å; C138-C162 HydrophobicContact CB-CB 3.74Å; C138-C162 WeakPolarHBondContact CB-SG 3.44Å; C138-C162 WeakPolarHBondContact SG-CA 3.07Å; C138-C162 WeakPolarHBondContact SG-CB 3.1Å; C138-C162 CovalentContact SG-SG 2.04Å; C138-C162 PolarHBondContact SG-SG 2.76Å
139Q79.4Confident79.9Confident157 Ų15782.3 Ų82.373%0.73447%0.469SS*.  trans-67.8119.9169.8-81.5174.5-3.200109.7D141 K154Q139-D141 HydrophobicContact CB-CB 4.48Å; Q139-D141 PolarHBondContact O-N 3Å; Q139-D141 VanDerWaalsContact O-N 3.17Å; Q139-D141 VanDerWaalsContact O-OD1 3.06Å; Q139-K154 PolarHBondContact O-NZ 2.77Å
140L77.4Confident79.8Confident118 Ų11880.5 Ų80.562%0.61846%0.464SS*.  trans-86.148.7169.5-68.5170000109.9P136 C138P136-L140 HydrophobicContact CB-CD1 3.99Å; P136-L140 HydrophobicContact CB-CG 4.38Å; P136-L140 HydrophobicContact CG-CD1 3.71Å; P136-L140 HydrophobicContact CG-CG 4.45Å; C138-L140 PolarHBondContact O-N 2.89Å
141D76.7Confident79.8Confident69 Ų6981.8 Ų81.837%0.36947%0.47SS..  trans-71.2148173.763.8-30.9000110.6Q139 K154 W165Q139-D141 HydrophobicContact CB-CB 4.48Å; Q139-D141 PolarHBondContact O-N 3Å; Q139-D141 VanDerWaalsContact O-N 3.17Å; Q139-D141 VanDerWaalsContact O-OD1 3.06Å; D141-K154 PolarHBondContact O-NZ 3.28Å; D141-K154 IonicContact OD1-NZ 3.93Å; D141-K154 PolarHBondContact OD1-NZ 2.97Å; D141-W165 VanDerWaalsContact CG-NE1 3.29Å; D141-W165 WeakPolarHBondContact O-CZ2 3.49Å; D141-W165 PolarHBondContact OD1-NE1 2.84Å; D141-W165 VanDerWaalsContact OD2-CD1 3.22Å; D141-W165 PolarHBondContact OD2-NE1 2.95Å
142V74.7Confident80Confident118 Ų11875.8 Ų75.872%0.71545%0.445SS*.  trans-114.4112.5177.2178.80000107.9L144V142-L144 HydrophobicContact CG1-CD2 4.23Å
143L74.4Confident79.8Confident68 Ų6881.8 Ų81.836%0.35646%0.464SS..  trans-89116172.8-17462.3000109.3P152 W165L143-P152 HydrophobicContact CB-CB 4.04Å; L143-P152 HydrophobicContact CD2-CB 3.63Å; L143-P152 HydrophobicContact CG-CB 3.78Å; L143-P152 HydrophobicContact CG-CG 4.4Å; L143-P152 VanDerWaalsContact O-CG 3.24Å; L143-P152 WeakPolarHBondContact O-CG 3.31Å; L143-W165 HydrophobicContact CB-CD2 3.42Å; L143-W165 VanDerWaalsContact CB-CD2 3.42Å; L143-W165 VanDerWaalsContact CB-CE2 3.48Å; L143-W165 HydrophobicContact CB-CE3 3.75Å; L143-W165 HydrophobicContact CB-CG 3.83Å; L143-W165 HydrophobicContact CB-CH2 4.14Å; L143-W165 HydrophobicContact CB-CZ2 3.87Å; L143-W165 HydrophobicContact CB-CZ3 4.09Å; L143-W165 HydrophobicContact CD2-CB 3.64Å; L143-W165 HydrophobicContact CD2-CD2 3.94Å; L143-W165 HydrophobicContact CD2-CE3 4.14Å; L143-W165 HydrophobicContact CD2-CG 3.73Å; L143-W165 HydrophobicContact CG-CD2 4.33Å; L143-W165 HydrophobicContact CG-CG 4.43Å; L143-W165 VanDerWaalsContact N-CZ2 3.26Å
144L73.1Confident79.6Confident100 Ų10081.9 Ų81.952%0.52445%0.451SS..  trans-81.4151.3174.9-64.2176.7000110.8V142 G146 E206V142-L144 HydrophobicContact CG1-CD2 4.23Å; L144-G146 PolarHBondContact O-N 2.82Å; L144-E206 HydrophobicContact CD1-CB 3.95Å; L144-E206 HydrophobicContact CD1-CG 4.48Å
145P75.9Confident79.5Confident71 Ų7180.9 Ų80.946%0.46144%0.443SS..  trans-53.5120.5173.6-28.936.8000112.4C149 P150 P152P145-C149 WeakPolarHBondContact CA-O 3.25Å; P145-P150 WeakPolarHBondContact CB-O 3.42Å; P145-P152 HydrophobicContact CG-CG 4.34Å
146G72Confident79.3Confident26 Ų2680.5 Ų80.527%0.26845%0.449SS..BIsolated β-bridgetrans-114.6167.8177.300000112.1L144 D148 C149L144-G146 PolarHBondContact O-N 2.82Å; G146-D148 PolarHBondContact O-N 2.86Å; G146-C149 PolarHBondContact N-O 2.77Å; G146-C149 CarbonylContact O-C 3.58Å; G146-C149 PolarHBondContact O-N 2.02Å; G146-C149 VanDerWaalsContact O-N 3.08Å
147P68.1Low79.1Confident73 Ų7379.8 Ų79.847%0.47444%0.444SS..THydrogen-bonded Turntrans-58.5-32.1177.122.3-31.4000113.3
148D68.9Low79.1Confident155 Ų15579.6 Ų79.683%0.82946%0.46SS*.THydrogen-bonded Turntrans-96-4.4178.2-55.4-50.5000113.1G146G146-D148 PolarHBondContact O-N 2.86Å
149C74.1Confident79.1Confident13 Ų1382.9 Ų82.99%0.08850%0.497CS..BIsolated β-bridgetrans-148.175.6-179.6-162.30000110.2P145 G146 A151 C167P145-C149 WeakPolarHBondContact CA-O 3.25Å; G146-C149 PolarHBondContact N-O 2.77Å; G146-C149 CarbonylContact O-C 3.58Å; G146-C149 PolarHBondContact O-N 2.02Å; G146-C149 VanDerWaalsContact O-N 3.08Å; C149-A151 VanDerWaalsContact C-N 3.31Å; C149-A151 PolarHBondContact O-N 2.8Å; C149-C167 HydrophobicContact CB-CB 4.01Å; C149-C167 WeakPolarHBondContact CB-SG 3.47Å; C149-C167 WeakPolarHBondContact SG-CB 3.29Å; C149-C167 CovalentContact SG-SG 2.02Å; C149-C167 PolarHBondContact SG-SG 3.04Å
150P76.2Confident79.6Confident73 Ų7380.1 Ų80.147%0.47448%0.484SS..SBendtrans-71.5-26.6-172.727-34.5000113.1P145P145-P150 WeakPolarHBondContact CB-O 3.42Å
151A78.8Confident80.1Confident64 Ų6476.4 Ų76.453%0.52947%0.468SS..SBendtrans-130.377.5178.300000109.8C149 R153C149-A151 VanDerWaalsContact C-N 3.31Å; C149-A151 PolarHBondContact O-N 2.8Å; A151-R153 PolarHBondContact O-N 3.09Å
152P83.9Confident80.7Confident27 Ų2775 Ų7518%0.17546%0.463CS..EExtended strand (participates in β ladder)trans-67.6127.6176.327.9-31.9000109.6L143 P145 W165L143-P152 HydrophobicContact CB-CB 4.04Å; L143-P152 HydrophobicContact CD2-CB 3.63Å; L143-P152 HydrophobicContact CG-CB 3.78Å; L143-P152 HydrophobicContact CG-CG 4.4Å; L143-P152 VanDerWaalsContact O-CG 3.24Å; L143-P152 WeakPolarHBondContact O-CG 3.31Å; P145-P152 HydrophobicContact CG-CG 4.34Å; P152-W165 HydrophobicContact CB-CE3 3.78Å; P152-W165 HydrophobicContact CB-CZ3 3.89Å
153R84.8Confident81.3Confident174 Ų17473.7 Ų73.766%0.65745%0.449SS*.EExtended strand (participates in β ladder)trans-128.9129.3178.1-177.5-177.4172.6178.8-0.8109.8A151 V155 T166A151-R153 PolarHBondContact O-N 3.09Å; R153-V155 HydrophobicContact CG-CG1 4.14Å; R153-T166 PolarHBondContact N-O 3.4Å; R153-T166 PolarHBondContact O-N 2.96Å; R153-T166 PolarHBondContact O-OG1 3.25Å
154K83.6Confident81.9Confident49 Ų4975.1 Ų75.121%0.21345%0.452CS..EExtended strand (participates in β ladder)trans-75.1127165.8-114.9175.1-178.5160.50109.1Q139 D141 E163 W165Q139-K154 PolarHBondContact O-NZ 2.77Å; D141-K154 PolarHBondContact O-NZ 3.28Å; D141-K154 IonicContact OD1-NZ 3.93Å; D141-K154 PolarHBondContact OD1-NZ 2.97Å; K154-E163 HydrophobicContact CB-CB 4.08Å; K154-E163 HydrophobicContact CD-CB 3.96Å; K154-E163 HydrophobicContact CG-CB 3.68Å; K154-W165 HydrophobicContact CB-CZ3 4.49Å; K154-W165 HydrophobicContact CD-CZ2 4.2Å; K154-W165 HydrophobicContact CG-CD2 4.16Å; K154-W165 HydrophobicContact CG-CE3 4.36Å; K154-W165 HydrophobicContact CG-CZ2 4.31Å
155V87.3Confident82.4Confident37 Ų3773.9 Ų73.922%0.22444%0.441CS..EExtended strand (participates in β ladder)trans-133.1143.3177.5-84.80000109.7R153 V157 E163 K164 T166R153-V155 HydrophobicContact CG-CG1 4.14Å; V155-V157 PolarHBondContact O-N 3.29Å; V155-E163 WeakPolarHBondContact O-CA 3.33Å; V155-K164 PolarHBondContact N-O 3.34Å; V155-K164 VanDerWaalsContact N-O 3.07Å; V155-K164 PolarHBondContact O-N 2.02Å; V155-K164 VanDerWaalsContact O-N 3.09Å; V155-T166 HydrophobicContact CG2-CG2 3.3Å; V155-T166 WeakPolarHBondContact CG2-OG1 3.4Å
156A87.1Confident82.8Confident82 Ų8273.1 Ų73.168%0.67844%0.435SS*.PPolyproline II helixtrans-64128170.300000109.4
157V87Confident83.2Confident48 Ų4875 Ų7529%0.29144%0.443SS..PPolyproline II helixtrans-102.4129.6176.9178.50000108.1V155 G159 E160 K164V155-V157 PolarHBondContact O-N 3.29Å; V157-G159 PolarHBondContact O-N 2.77Å; V157-E160 HydrophobicContact CB-CB 4.08Å; V157-E160 HydrophobicContact CB-CG 4.25Å; V157-E160 HydrophobicContact CG1-CB 4.41Å; V157-E160 HydrophobicContact CG1-CG 4.06Å; V157-E160 PolarHBondContact O-N 3.14Å; V157-E160 VanDerWaalsContact O-N 3.11Å; V157-K164 HydrophobicContact CG2-CB 3.95Å; V157-K164 HydrophobicContact CG2-CD 4.22Å; V157-K164 HydrophobicContact CG2-CG 4.17Å
158P89.4Confident83.3Confident128 Ų12873.5 Ų73.583%0.83144%0.441SS*.THydrogen-bonded Turntrans-55.6128.6178.7-25.634.2000111.9E160P158-E160 VanDerWaalsContact C-N 3.3Å; P158-E160 PolarHBondContact O-N 3.01Å
159G87.8Confident82.6Confident90 Ų9072.2 Ų72.293%0.92844%0.441SS*.THydrogen-bonded Turntrans82.6-2.2179.300000115.5V157V157-G159 PolarHBondContact O-N 2.77Å
160E89.8Confident81.6Confident99 Ų9978.3 Ų78.346%0.46347%0.473SS..  trans-111.1140.4177.2-69.1-85.4-157.400110V157 P158 K164V157-E160 HydrophobicContact CB-CB 4.08Å; V157-E160 HydrophobicContact CB-CG 4.25Å; V157-E160 HydrophobicContact CG1-CB 4.41Å; V157-E160 HydrophobicContact CG1-CG 4.06Å; V157-E160 PolarHBondContact O-N 3.14Å; V157-E160 VanDerWaalsContact O-N 3.11Å; P158-E160 VanDerWaalsContact C-N 3.3Å; P158-E160 PolarHBondContact O-N 3.01Å; E160-K164 IonicContact OE1-NZ 2.76Å; E160-K164 PolarHBondContact OE1-NZ 2.88Å
161C88.8Confident80Confident41 Ų4183.4 Ų83.428%0.27749%0.49SS..SBendtrans-72.9-41.1176.9174.30000112.6C121 Q122C121-C161 VanDerWaalsContact CA-SG 3.53Å; C121-C161 HydrophobicContact CB-CB 3.73Å; C121-C161 WeakPolarHBondContact CB-SG 3.45Å; C121-C161 PolarHBondContact O-SG 2.83Å; C121-C161 WeakPolarHBondContact SG-CA 3.43Å; C121-C161 WeakPolarHBondContact SG-CB 3.27Å; C121-C161 CovalentContact SG-SG 2.03Å; C121-C161 PolarHBondContact SG-SG 3.42Å; Q122-C161 PolarHBondContact N-SG 3.19Å; Q122-C161 VanDerWaalsContact N-SG 3.43Å; Q122-C161 PolarHBondContact NE2-O 3.02Å
162C88.3Confident78.3Confident40 Ų4088.2 Ų88.227%0.2750%0.502SS..SBendtrans-94.9137.6-172.7-60.30000110.9C138C138-C162 WeakPolarHBondContact CA-SG 3.25Å; C138-C162 HydrophobicContact CB-CB 3.74Å; C138-C162 WeakPolarHBondContact CB-SG 3.44Å; C138-C162 WeakPolarHBondContact SG-CA 3.07Å; C138-C162 WeakPolarHBondContact SG-CB 3.1Å; C138-C162 CovalentContact SG-SG 2.04Å; C138-C162 PolarHBondContact SG-SG 2.76Å
163E88.3Confident75.9Confident90 Ų9090.5 Ų90.542%0.42153%0.53SS..  trans-64.6139.2172.9-56.6177.714300110K154 V155K154-E163 HydrophobicContact CB-CB 4.08Å; K154-E163 HydrophobicContact CD-CB 3.96Å; K154-E163 HydrophobicContact CG-CB 3.68Å; V155-E163 WeakPolarHBondContact O-CA 3.33Å
164K86Confident74Confident97 Ų9788.6 Ų88.642%0.42254%0.538SS..EExtended strand (participates in β ladder)trans-109.7150.8176.4-65.9-175.9-175.3171.30109.9V155 V157 E160 T166V155-K164 PolarHBondContact N-O 3.34Å; V155-K164 VanDerWaalsContact N-O 3.07Å; V155-K164 PolarHBondContact O-N 2.02Å; V155-K164 VanDerWaalsContact O-N 3.09Å; V157-K164 HydrophobicContact CG2-CB 3.95Å; V157-K164 HydrophobicContact CG2-CD 4.22Å; V157-K164 HydrophobicContact CG2-CG 4.17Å; E160-K164 IonicContact OE1-NZ 2.76Å; E160-K164 PolarHBondContact OE1-NZ 2.88Å; K164-T166 PolarHBondContact O-N 3.08Å
165W85.1Confident71.8Confident74 Ų7494.6 Ų94.628%0.2857%0.572SS.*EExtended strand (participates in β ladder)trans-69.7127.4172-70106.3000110.1D141 L143 P152 K154D141-W165 VanDerWaalsContact CG-NE1 3.29Å; D141-W165 WeakPolarHBondContact O-CZ2 3.49Å; D141-W165 PolarHBondContact OD1-NE1 2.84Å; D141-W165 VanDerWaalsContact OD2-CD1 3.22Å; D141-W165 PolarHBondContact OD2-NE1 2.95Å; L143-W165 HydrophobicContact CB-CD2 3.42Å; L143-W165 VanDerWaalsContact CB-CD2 3.42Å; L143-W165 VanDerWaalsContact CB-CE2 3.48Å; L143-W165 HydrophobicContact CB-CE3 3.75Å; L143-W165 HydrophobicContact CB-CG 3.83Å; L143-W165 HydrophobicContact CB-CH2 4.14Å; L143-W165 HydrophobicContact CB-CZ2 3.87Å; L143-W165 HydrophobicContact CB-CZ3 4.09Å; L143-W165 HydrophobicContact CD2-CB 3.64Å; L143-W165 HydrophobicContact CD2-CD2 3.94Å; L143-W165 HydrophobicContact CD2-CE3 4.14Å; L143-W165 HydrophobicContact CD2-CG 3.73Å; L143-W165 HydrophobicContact CG-CD2 4.33Å; L143-W165 HydrophobicContact CG-CG 4.43Å; L143-W165 VanDerWaalsContact N-CZ2 3.26Å; P152-W165 HydrophobicContact CB-CE3 3.78Å; P152-W165 HydrophobicContact CB-CZ3 3.89Å; K154-W165 HydrophobicContact CB-CZ3 4.49Å; K154-W165 HydrophobicContact CD-CZ2 4.2Å; K154-W165 HydrophobicContact CG-CD2 4.16Å; K154-W165 HydrophobicContact CG-CE3 4.36Å; K154-W165 HydrophobicContact CG-CZ2 4.31Å
166T83.3Confident69.1Low56 Ų5696.2 Ų96.234%0.34460%0.596SS.*EExtended strand (participates in β ladder)trans-123.9149.1166.862.50000108.8R153 V155 K164R153-T166 PolarHBondContact N-O 3.4Å; R153-T166 PolarHBondContact O-N 2.96Å; R153-T166 PolarHBondContact O-OG1 3.25Å; V155-T166 HydrophobicContact CG2-CG2 3.3Å; V155-T166 WeakPolarHBondContact CG2-OG1 3.4Å; K164-T166 PolarHBondContact O-N 3.08Å
167C80.7Confident67.1Low64 Ų6496 Ų9643%0.43260%0.601SS.*EExtended strand (participates in β ladder)trans-98122.3170.8-48.60000105.7C149C149-C167 HydrophobicContact CB-CB 4.01Å; C149-C167 WeakPolarHBondContact CB-SG 3.47Å; C149-C167 WeakPolarHBondContact SG-CB 3.29Å; C149-C167 CovalentContact SG-SG 2.02Å; C149-C167 PolarHBondContact SG-SG 3.04Å
168G70.1Confident64.7Low42 Ų42102.1 Ų102.143%0.43363%0.632SS.*PPolyproline II helixtrans-56152.9178.100000111.6N170G168-N170 PolarHBondContact O-N 3.12Å
169P54.4Low62.4Low128 Ų128100.8 Ų100.883%0.83163%0.632SS**PPolyproline II helixtrans-60.6129.6178.223.7-30000110E171P169-E171 PolarHBondContact O-N 2.88Å
170N52.2Low60.1Low142 Ų142104.4 Ų104.476%0.75963%0.629SS**PPolyproline II helixtrans-58.1119.1164.3-92.5-24.3000108G168 Q172G168-N170 PolarHBondContact O-N 3.12Å; N170-Q172 PolarHBondContact O-N 3.07Å
171E43Very low57.7Low180 Ų180105.2 Ų105.284%0.84164%0.643SS**SBendtrans-66.6106.8161.6-68.9-159.6159.800108.7P169P169-E171 PolarHBondContact O-N 2.88Å
172Q43Very low55.4Low164 Ų164108 Ų10877%0.76667%0.669SS**  trans54.7119.5162.5-79.479.88.500120N170N170-Q172 PolarHBondContact O-N 3.07Å
173G33.7Very low53.1Low75 Ų75116.2 Ų116.277%0.77370%0.695SS**  trans-178.558.3162.500000113.5L175G173-L175 PolarHBondContact O-N 2.71Å
174T44.4Very low50.7Low134 Ų134122 Ų12282%0.82271%0.713SS**  trans-36.9126.5168.1-27.40000112.6
175L38.2Very low48.4Very low175 Ų175122.4 Ų122.492%0.91673%0.726SS**  trans171119.1140.9-94.3156.1000112G173G173-L175 PolarHBondContact O-N 2.71Å
176G30.6Very low46Very low72 Ų72127.4 Ų127.474%0.74275%0.752SS**  trans95.594.2144.700000115.9
177G45.7Very low44Very low76 Ų76129 Ų12978%0.78477%0.772SS**  trans-59.5138.9164.800000111.8
178L35.8Very low42.2Very low178 Ų178132.6 Ų132.693%0.93279%0.792SS**  trans-141.6133.3154-71.1178.2000107.3
179A40.5Very low40.9Very low100 Ų100136.8 Ų136.883%0.82681%0.808SS**PPolyproline II helixtrans-52.1138.5-172.200000113.6
180L39.5Very low40.4Very low165 Ų165133.8 Ų133.886%0.86480%0.801SS**PPolyproline II helixtrans-67.5126.7168-70.3160.7000109.4
181P40.5Very low39.9Very low117 Ų117133.4 Ų133.476%0.7680%0.804SS**PPolyproline II helixtrans-71.1134.8154.529.5-27000108.2Y183P181-Y183 PolarHBondContact O-N 2.93Å
182A39.4Very low39.5Very low100 Ų100133.3 Ų133.383%0.82680%0.803SS**PPolyproline II helixtrans-53.2121.5176.900000110.9R184A182-R184 PolarHBondContact O-N 3.23Å
183Y41.5Very low39.8Very low211 Ų211132.7 Ų132.783%0.82781%0.81SS**  trans-65.5112.9173.2-173.9-100.7000109.1P181P181-Y183 PolarHBondContact O-N 2.93Å
184R36.9Very low40.2Very low212 Ų212134.2 Ų134.280%0.881%0.809SS**  trans-87.5122.5168.6-153.2179.5-177.495-0.4106.1A182 E186A182-R184 PolarHBondContact O-N 3.23Å; R184-E186 PolarHBondContact O-N 2.84Å
185P39.1Very low40.3Very low105 Ų105135.1 Ų135.168%0.68281%0.809SS**  trans-68.9100.8171.6-9.124000107.2A187P185-A187 PolarHBondContact O-N 2.78Å
186E34.6Very low40.7Very low179 Ų179131.1 Ų131.184%0.83680%0.796SS**  trans-68.7121.6164.7-81.8177.7145.800107.6R184 T188R184-E186 PolarHBondContact O-N 2.84Å; E186-T188 PolarHBondContact O-N 2.04Å
187A41.2Very low41.5Very low91 Ų91133.5 Ų133.575%0.75280%0.801SS**  trans-49.2123.1-179.300000110.4P185 V189P185-A187 PolarHBondContact O-N 2.78Å; A187-V189 PolarHBondContact O-N 2.82Å
188T41.1Very low41.6Very low139 Ų139133.7 Ų133.785%0.85379%0.787SS**  trans-57.4109.1164.940.50000107.8E186 G190E186-T188 PolarHBondContact O-N 2.04Å; T188-G190 PolarHBondContact O-N 2.9Å; T188-G190 VanDerWaalsContact O-N 3.11Å
189V43.1Very low42.9Very low129 Ų129134 Ų13478%0.78279%0.789SS**  trans-50.1115.5168173.20000107.4A187 V191A187-V189 PolarHBondContact O-N 2.82Å; V189-V191 PolarHBondContact O-N 2.81Å; V189-V191 VanDerWaalsContact O-N 3.12Å
190G45.1Very low44.2Very low65 Ų65130.6 Ų130.667%0.6776%0.759SS**  trans-57.6115.3171.100000108.5T188 E192T188-G190 PolarHBondContact O-N 2.9Å; T188-G190 VanDerWaalsContact O-N 3.11Å; G190-E192 PolarHBondContact O-N 2.88Å
191V40.9Very low46.1Very low135 Ų135129.4 Ų129.482%0.81875%0.752SS**  trans-81.8109.2168.6177.50000105.9V189 V193V189-V191 PolarHBondContact O-N 2.81Å; V189-V191 VanDerWaalsContact O-N 3.12Å; V191-V193 PolarHBondContact O-N 2.86Å
192E35.1Very low48.1Very low177 Ų177129.6 Ų129.683%0.82774%0.743SS**  trans-48.5125.6175.6-67.9-177.2147.900110.6G190 S194G190-E192 PolarHBondContact O-N 2.88Å; E192-S194 PolarHBondContact O-N 3.22Å
193V50Low50.1Low151 Ų151129.6 Ų129.692%0.91573%0.725SS**  trans-71.9108.8170176.90000107.6V191V191-V193 PolarHBondContact O-N 2.86Å
194S41.9Very low52.2Low108 Ų108122.6 Ų122.676%0.75571%0.705SS**  trans-155.2139.5154.877.90000106.2E192E192-S194 PolarHBondContact O-N 3.22Å
195D45.4Very low54.6Low153 Ų153115.7 Ų115.782%0.81869%0.686SS**  cis-166.6161-6.4-170.71.5000103
196S46.8Very low56.9Low91 Ų91117.3 Ų117.364%0.63669%0.685SS**  trans88.985.2174.1740000119.3V198S196-V198 PolarHBondContact O-N 2.77Å
197S47.5Very low59.4Low121 Ų121111 Ų11185%0.84665%0.654SS**  58.737.1122.774.40000120.8
198V47.6Very low61.6Low81 Ų81109 Ų10949%0.49163%0.634SS.*  trans-133.5109.8157.3-1560000109.4S196 C200 C229S196-V198 PolarHBondContact O-N 2.77Å; V198-C200 HydrophobicContact CB-CB 4.12Å; V198-C200 HydrophobicContact CG1-CB 3.5Å; V198-C200 VanDerWaalsContact CG1-CB 3.5Å; V198-C200 PolarHBondContact O-N 2.97Å; V198-C229 HydrophobicContact CG1-CB 4.37Å
199N62.6Low63.9Low185 Ų185105.7 Ų105.799%0.98962%0.621SS**  trans-67.851164.9-74.1-36.6000110.1
200C69.1Low66.1Low28 Ų28100.8 Ų100.819%0.18959%0.592CS.*  trans-101.5117.7-179.2-177.60000108.8V198 E202 C229V198-C200 HydrophobicContact CB-CB 4.12Å; V198-C200 HydrophobicContact CG1-CB 3.5Å; V198-C200 VanDerWaalsContact CG1-CB 3.5Å; V198-C200 PolarHBondContact O-N 2.97Å; C200-E202 PolarHBondContact O-N 2.71Å; C200-E202 VanDerWaalsContact O-N 3.12Å; C200-C229 VanDerWaalsContact CA-SG 3.57Å; C200-C229 HydrophobicContact CB-CB 3.63Å; C200-C229 WeakPolarHBondContact CB-SG 3.47Å; C200-C229 WeakPolarHBondContact SG-CB 3.04Å; C200-C229 CovalentContact SG-SG 2.02Å; C200-C229 PolarHBondContact SG-SG 3.37Å
201I78.9Confident68.2Low139 Ų139101.4 Ų101.471%0.71359%0.585SS**  trans-73.1104166.3-60173.6000106.2Q203 N224I201-Q203 HydrophobicContact CG2-CG 4.48Å; I201-Q203 PolarHBondContact O-N 3.42Å; I201-N224 PolarHBondContact O-ND2 2.97Å
202E82.6Confident70.3Confident121 Ų121100.7 Ų100.757%0.56557%0.571SS**  trans-64.3123178.8-67.1-165.517300110.6C200 N224 R225C200-E202 PolarHBondContact O-N 2.71Å; C200-E202 VanDerWaalsContact O-N 3.12Å; E202-N224 WeakPolarHBondContact CA-OD1 3.37Å; E202-R225 IonicContact OE1-NE 2.8Å; E202-R225 IonicContact OE2-NE 3.74Å
203Q81.6Confident72.7Confident100 Ų10095.7 Ų95.747%0.46756%0.556SS.*  trans-123.8125175.2-66.1-174.8-27.900108I201 T223 N224I201-Q203 HydrophobicContact CG2-CG 4.48Å; I201-Q203 PolarHBondContact O-N 3.42Å; Q203-T223 WeakPolarHBondContact O-CA 3.37Å; Q203-N224 PolarHBondContact N-OD1 3.49Å; Q203-N224 PolarHBondContact O-N 3.36Å; Q203-N224 VanDerWaalsContact O-N 3.09Å; Q203-N224 PolarHBondContact O-OD1 3.45Å
204T84.7Confident74.4Confident64 Ų6490.4 Ų90.439%0.39353%0.525SS..BIsolated β-bridgetrans-137.5120.5175.6-63.90000108.2T223T204-T223 PolarHBondContact OG1-OG1 2.93Å
205T87.3Confident76.6Confident67 Ų6785.9 Ų85.941%0.41150%0.496SS..PPolyproline II helixtrans-74.2157.4174.172.80000110.3V222T205-V222 HydrophobicContact CG2-CB 4.28Å; T205-V222 PolarHBondContact N-O 3.26Å; T205-V222 PolarHBondContact OG1-N 3.23Å; T205-V222 PolarHBondContact OG1-O 3.25Å
206E87.1Confident78.9Confident140 Ų14080.1 Ų80.165%0.65447%0.465SS*.PPolyproline II helixtrans-61.4160.8164.1-70.8-55.413700111.4L144L144-E206 HydrophobicContact CD1-CB 3.95Å; L144-E206 HydrophobicContact CD1-CG 4.48Å
207W88.1Confident81.1Confident47 Ų4775.9 Ų75.918%0.17844%0.435CS..PPolyproline II helixtrans-71.7136.9175.9-73.7100.5000111.4S219 R221 Q234 R236W207-S219 WeakPolarHBondContact CZ3-O 3.46Å; W207-R221 HydrophobicContact CD2-CB 4.08Å; W207-R221 HydrophobicContact CD2-CG 4.02Å; W207-R221 VanDerWaalsContact CE2-CD 3.49Å; W207-R221 HydrophobicContact CE3-CB 3.87Å; W207-R221 HydrophobicContact CE3-CG 3.85Å; W207-R221 HydrophobicContact CH2-CG 3.81Å; W207-R221 HydrophobicContact CZ2-CG 3.97Å; W207-R221 VanDerWaalsContact CZ2-NE 3.29Å; W207-R221 HydrophobicContact CZ3-CB 4.2Å; W207-R221 HydrophobicContact CZ3-CG 3.74Å; W207-Q234 HydrophobicContact CH2-CB 4.17Å; W207-R236 VanDerWaalsContact CD1-CZ 3.43Å; W207-R236 HydrophobicContact CD2-CG 4.27Å; W207-R236 HydrophobicContact CE3-CG 3.79Å; W207-R236 HydrophobicContact CH2-CB 3.89Å; W207-R236 HydrophobicContact CH2-CG 3.81Å; W207-R236 HydrophobicContact CZ2-CG 4.28Å; W207-R236 HydrophobicContact CZ3-CB 3.96Å; W207-R236 HydrophobicContact CZ3-CG 3.54Å
208S88.4Confident83.3Confident49 Ų4975 Ų7534%0.34341%0.413SS..PPolyproline II helixtrans-61.6158171.9800000111.3S219 T220S208-S219 PolarHBondContact O-OG 2.95Å; S208-T220 WeakPolarHBondContact CB-O 3.48Å; S208-T220 PolarHBondContact N-O 3.29Å; S208-T220 PolarHBondContact OG-N 2.95Å; S208-T220 PolarHBondContact OG-O 2.98Å
209A88.2Confident85.3Confident69 Ų6971.2 Ų71.257%0.5739%0.39SS*.PPolyproline II helixtrans-52.6151.3165.500000110.9S211A209-S211 PolarHBondContact O-N 2.98Å
210C89.2Confident86.6Confident26 Ų2664.3 Ų64.318%0.17636%0.355CS..PPolyproline II helixtrans-67.6132.6177.4-165.60000109.6K212 C238 V240C210-K212 PolarHBondContact O-N 3.21Å; C210-C238 WeakPolarHBondContact CA-SG 3.48Å; C210-C238 HydrophobicContact CB-CB 3.9Å; C210-C238 WeakPolarHBondContact CB-SG 3.4Å; C210-C238 VanDerWaalsContact SG-C 3.56Å; C210-C238 WeakPolarHBondContact SG-CB 3.43Å; C210-C238 PolarHBondContact SG-O 2.83Å; C210-C238 CovalentContact SG-SG 2.04Å; C210-C238 PolarHBondContact SG-SG 3.43Å; C210-V240 HydrophobicContact CB-CG2 3.65Å
211S89.8Confident87.5Confident77 Ų7766.1 Ų66.154%0.53836%0.358SS..SBendtrans-61.6-16.3-177.873.20000114A209 W218A209-S211 PolarHBondContact O-N 2.98Å; S211-W218 WeakPolarHBondContact CB-O 3.38Å; S211-W218 PolarHBondContact N-O 3.26Å; S211-W218 PolarHBondContact OG-N 2.8Å
212K85.6Confident88Confident120 Ų12061.9 Ų61.952%0.52234%0.338SS..  trans-128.3140.6175.4-62.4-168177.2-174.80110.2C210 C214C210-K212 PolarHBondContact O-N 3.21Å; K212-C214 VanDerWaalsContact CB-O 3.28Å; K212-C214 WeakPolarHBondContact CB-O 3.39Å
213S83.6Confident88.3Confident73 Ų7356.2 Ų56.251%0.5131%0.312SS..SBendtrans-78.1-22.417863.50000113R241S213-R241 WeakPolarHBondContact O-CG 3.46Å; S213-R241 PolarHBondContact O-NE 3.13Å
214C87.3Confident88.6Confident39 Ų3952 Ų5226%0.26429%0.292SS..SBendtrans-138.6161.3168.878.70000110.6K212 R241 C243K212-C214 VanDerWaalsContact CB-O 3.28Å; K212-C214 WeakPolarHBondContact CB-O 3.39Å; C214-R241 CarbonylContact C-O 3.59Å; C214-R241 VanDerWaalsContact CA-O 3.27Å; C214-R241 WeakPolarHBondContact CA-O 3.33Å; C214-R241 HydrophobicContact CB-CG 3.95Å; C214-C243 HydrophobicContact CB-CB 4.03Å; C214-C243 WeakPolarHBondContact CB-SG 3Å; C214-C243 WeakPolarHBondContact SG-CB 3.46Å; C214-C243 CovalentContact SG-SG 2.06Å; C214-C243 PolarHBondContact SG-SG 2.87Å
215G88.3Confident88.7Confident14 Ų1457 Ų5714%0.14430%0.304CS..SBendtrans70.7-170.8-179.400000113.1G217 M239 R241 C243G215-G217 PolarHBondContact O-N 2.76Å; G215-M239 WeakPolarHBondContact O-CA 3.36Å; G215-M239 WeakPolarHBondContact O-CG 3.25Å; G215-R241 PolarHBondContact N-O 2.84Å; G215-C243 PolarHBondContact N-SG 3.31Å
216M92.9Very high88.6Confident32 Ų3256.1 Ų56.116%0.15830%0.297CS..SBendtrans-80.5118.6-177.6-172.483.2-83.700110.5L237 C238 M239 F272M216-L237 HydrophobicContact CE-CB 3.53Å; M216-L237 HydrophobicContact CE-CD2 4.32Å; M216-L237 HydrophobicContact CE-CG 4.43Å; M216-L237 HydrophobicContact CG-CD2 4.11Å; M216-L237 HydrophobicContact SD-CB 3.96Å; M216-L237 HydrophobicContact SD-CD1 4.24Å; M216-L237 HydrophobicContact SD-CD2 4.18Å; M216-L237 HydrophobicContact SD-CG 4.36Å; M216-C238 WeakPolarHBondContact CE-O 3.38Å; M216-M239 HydrophobicContact CB-CE 3.98Å; M216-M239 HydrophobicContact CE-CB 4.06Å; M216-M239 HydrophobicContact SD-CE 4.36Å; M216-F272 HydrophobicContact CG-CD2 4.12Å
217G93.1Very high88.4Confident1 Ų160.4 Ų60.41%0.0131%0.307CS..EExtended strand (participates in β ladder)trans-128.7-165175.800000112.7G215 L237 C238G215-G217 PolarHBondContact O-N 2.76Å; G217-L237 WeakPolarHBondContact O-CA 3.21Å; G217-C238 PolarHBondContact N-O 3.08Å; G217-C238 PolarHBondContact O-N 2.8Å
218W93Very high88.2Confident103 Ų10364.5 Ų64.539%0.3933%0.328SS..EExtended strand (participates in β ladder)trans-123143.5-177.1-55.8100.7000112.1S211 T235 R236 L237 C238 F272S211-W218 WeakPolarHBondContact CB-O 3.38Å; S211-W218 PolarHBondContact N-O 3.26Å; S211-W218 PolarHBondContact OG-N 2.8Å; W218-T235 HydrophobicContact CB-CG2 4.25Å; W218-T235 HydrophobicContact CD2-CG2 4.2Å; W218-T235 HydrophobicContact CE3-CG2 3.49Å; W218-T235 VanDerWaalsContact CE3-CG2 3.49Å; W218-T235 HydrophobicContact CZ3-CG2 4.11Å; W218-R236 WeakPolarHBondContact CA-O 3.27Å; W218-L237 HydrophobicContact CD2-CD2 4.06Å; W218-L237 HydrophobicContact CE3-CD2 3.55Å; W218-L237 HydrophobicContact CE3-CG 4.25Å; W218-L237 HydrophobicContact CH2-CD2 3.62Å; W218-L237 HydrophobicContact CH2-CG 4.47Å; W218-L237 HydrophobicContact CZ2-CD2 4.08Å; W218-L237 HydrophobicContact CZ3-CD2 3.32Å; W218-L237 HydrophobicContact CZ3-CG 3.89Å; W218-C238 PolarHBondContact N-SG 3.03Å; W218-C238 VanDerWaalsContact N-SG 3.4Å; W218-C238 PolarHBondContact O-SG 2.03Å; W218-C238 VanDerWaalsContact O-SG 3.39Å; W218-F272 HydrophobicContact CH2-CE1 4.36Å; W218-F272 AromaticContact CH2-CE2 3.46Å; W218-F272 HydrophobicContact CH2-CE2 3.46Å; W218-F272 VanDerWaalsContact CH2-CE2 3.46Å; W218-F272 AromaticContact CH2-CZ 3.32Å; W218-F272 HydrophobicContact CH2-CZ 3.32Å; W218-F272 AromaticContact CZ2-CE2 3.28Å; W218-F272 HydrophobicContact CZ2-CE2 3.28Å; W218-F272 AromaticContact CZ2-CZ 3.44Å; W218-F272 HydrophobicContact CZ2-CZ 3.44Å; W218-F272 VanDerWaalsContact CZ2-CZ 3.44Å; W218-F272 HydrophobicContact CZ3-CE2 4.45Å; W218-F272 HydrophobicContact CZ3-CZ 4.48Å
219S90.7Very high88Confident1 Ų164 Ų641%0.00733%0.325CS..EExtended strand (participates in β ladder)trans-128.4137.1170.9169.90000107.6W207 S208 T235 R236W207-S219 WeakPolarHBondContact CZ3-O 3.46Å; S208-S219 PolarHBondContact O-OG 2.95Å; S219-T235 CarbonylContact O-C 3.46Å; S219-T235 WeakPolarHBondContact O-CA 3.4Å; S219-R236 PolarHBondContact N-O 2.71Å; S219-R236 PolarHBondContact O-N 3.47Å
220T88.4Confident87.8Confident40 Ų4066.7 Ų66.725%0.24533%0.325CS..EExtended strand (participates in β ladder)trans-124.4151.5-17464.10000110.9S208 Q234 T235S208-T220 WeakPolarHBondContact CB-O 3.48Å; S208-T220 PolarHBondContact N-O 3.29Å; S208-T220 PolarHBondContact OG-N 2.95Å; S208-T220 PolarHBondContact OG-O 2.98Å; T220-Q234 CarbonylContact C-O 3.56Å; T220-Q234 WeakPolarHBondContact CA-O 3.4Å; T220-T235 HydrophobicContact CG2-CG2 3.95Å
221R89.4Confident87.5Confident67 Ų6770.5 Ų70.525%0.25334%0.342SS..EExtended strand (participates in β ladder)trans-144.2163.1171.171173.5179.4179.53.5109.4W207 K233 Q234W207-R221 HydrophobicContact CD2-CB 4.08Å; W207-R221 HydrophobicContact CD2-CG 4.02Å; W207-R221 VanDerWaalsContact CE2-CD 3.49Å; W207-R221 HydrophobicContact CE3-CB 3.87Å; W207-R221 HydrophobicContact CE3-CG 3.85Å; W207-R221 HydrophobicContact CH2-CG 3.81Å; W207-R221 HydrophobicContact CZ2-CG 3.97Å; W207-R221 VanDerWaalsContact CZ2-NE 3.29Å; W207-R221 HydrophobicContact CZ3-CB 4.2Å; W207-R221 HydrophobicContact CZ3-CG 3.74Å; R221-K233 CarbonylContact O-C 3.12Å; R221-K233 WeakPolarHBondContact O-CA 3.34Å; R221-Q234 HydrophobicContact CG-CB 3.96Å; R221-Q234 VanDerWaalsContact CZ-OE1 3.23Å; R221-Q234 PolarHBondContact N-O 3.15Å; R221-Q234 PolarHBondContact O-N 3.08Å
222V89.8Confident87.3Confident50 Ų5070 Ų7030%0.30334%0.335SS..EExtended strand (participates in β ladder)trans-113135.2172.2-174.20000108.8T205 M231 V232T205-V222 HydrophobicContact CG2-CB 4.28Å; T205-V222 PolarHBondContact N-O 3.26Å; T205-V222 PolarHBondContact OG1-N 3.23Å; T205-V222 PolarHBondContact OG1-O 3.25Å; V222-M231 HydrophobicContact CB-CE 4.47Å; V222-M231 HydrophobicContact CG1-CB 4.16Å; V222-M231 HydrophobicContact CG1-CE 3.56Å; V222-M231 HydrophobicContact CG1-SD 4.09Å; V222-V232 WeakPolarHBondContact CA-O 2.99Å
223T88.3Confident87.4Confident2 Ų270.9 Ų70.91%0.01234%0.339CS..EExtended strand (participates in β ladder)trans-147141.5178.2179.30000110.6Q203 T204 R225 V232 Q234Q203-T223 WeakPolarHBondContact O-CA 3.37Å; T204-T223 PolarHBondContact OG1-OG1 2.93Å; T223-R225 VanDerWaalsContact OG1-CB 3.29Å; T223-R225 WeakPolarHBondContact OG1-CB 3.12Å; T223-R225 PolarHBondContact OG1-N 2.84Å; T223-R225 VanDerWaalsContact OG1-N 3.08Å; T223-V232 PolarHBondContact N-O 3.02Å; T223-V232 PolarHBondContact O-N 3.35Å; T223-Q234 HydrophobicContact CG2-CG 3.78Å
224N87.6Confident87.8Confident10 Ų1070.7 Ų70.75%0.05333%0.33CS..  trans-96.111.4168.868.4-5.3000113.4I201 E202 Q203 N226 C229 E230 M231I201-N224 PolarHBondContact O-ND2 2.97Å; E202-N224 WeakPolarHBondContact CA-OD1 3.37Å; Q203-N224 PolarHBondContact N-OD1 3.49Å; Q203-N224 PolarHBondContact O-N 3.36Å; Q203-N224 VanDerWaalsContact O-N 3.09Å; Q203-N224 PolarHBondContact O-OD1 3.45Å; N224-N226 PolarHBondContact O-N 3.18Å; N224-C229 WeakPolarHBondContact O-CA 3.1Å; N224-E230 VanDerWaalsContact CA-O 3.3Å; N224-E230 WeakPolarHBondContact CA-O 3.42Å; N224-M231 HydrophobicContact CB-CG 4.28Å; N224-M231 HydrophobicContact CB-SD 3.67Å
225R86.3Confident88Confident170 Ų17071.7 Ų71.764%0.64234%0.335SS*.  trans-75.772.7178.6-167.3174.9178.1178.6-0.2111.2E202 T223E202-R225 IonicContact OE1-NE 2.8Å; E202-R225 IonicContact OE2-NE 3.74Å; T223-R225 VanDerWaalsContact OG1-CB 3.29Å; T223-R225 WeakPolarHBondContact OG1-CB 3.12Å; T223-R225 PolarHBondContact OG1-N 2.84Å; T223-R225 VanDerWaalsContact OG1-N 3.08Å
226N85.7Confident88.3Confident49 Ų4971.3 Ų71.326%0.26233%0.329SS..SBendtrans-142.5168.2171.158.363000109.3N224 Q228 C229 E230N224-N226 PolarHBondContact O-N 3.18Å; N226-Q228 PolarHBondContact O-N 3.02Å; N226-Q228 VanDerWaalsContact O-N 3.09Å; N226-Q228 WeakPolarHBondContact OD1-CA 3.41Å; N226-Q228 PolarHBondContact OD1-N 3.08Å; N226-Q228 VanDerWaalsContact OD1-N 3.07Å; N226-C229 PolarHBondContact O-N 3.3Å; N226-C229 VanDerWaalsContact O-N 3.12Å; N226-C229 PolarHBondContact OD1-N 3.32Å; N226-E230 PolarHBondContact ND2-O 2.85Å; N226-E230 PolarHBondContact OD1-N 2.98Å
227R83Confident88.5Confident229 Ų22969.9 Ų69.986%0.86432%0.322SS*.THydrogen-bonded Turntrans-61.5-21.5-175.7-67.9-175.4175167-2.3113.1
228Q83.3Confident88.5Confident133 Ų13369.9 Ų69.962%0.62132%0.322SS*.THydrogen-bonded Turntrans-97.4-4.6-177.3-60.990.8-35.100113.4N226 E230N226-Q228 PolarHBondContact O-N 3.02Å; N226-Q228 VanDerWaalsContact O-N 3.09Å; N226-Q228 WeakPolarHBondContact OD1-CA 3.41Å; N226-Q228 PolarHBondContact OD1-N 3.08Å; N226-Q228 VanDerWaalsContact OD1-N 3.07Å; Q228-E230 HydrophobicContact CB-CG 3.99Å; Q228-E230 PolarHBondContact O-N 2.83Å
229C83.9Confident88.5Confident40 Ų4066.5 Ų66.527%0.2731%0.311SS..  trans56.225.9-173.2-163.60000114.6V198 C200 N224 N226V198-C229 HydrophobicContact CG1-CB 4.37Å; C200-C229 VanDerWaalsContact CA-SG 3.57Å; C200-C229 HydrophobicContact CB-CB 3.63Å; C200-C229 WeakPolarHBondContact CB-SG 3.47Å; C200-C229 WeakPolarHBondContact SG-CB 3.04Å; C200-C229 CovalentContact SG-SG 2.02Å; C200-C229 PolarHBondContact SG-SG 3.37Å; N224-C229 WeakPolarHBondContact O-CA 3.1Å; N226-C229 PolarHBondContact O-N 3.3Å; N226-C229 VanDerWaalsContact O-N 3.12Å; N226-C229 PolarHBondContact OD1-N 3.32Å
230E84.9Confident88.5Confident124 Ų12467 Ų6758%0.57931%0.314SS*.  trans-87.4138.9-178.1-71.3-179.7175.100111.7N224 N226 Q228 V232N224-E230 VanDerWaalsContact CA-O 3.3Å; N224-E230 WeakPolarHBondContact CA-O 3.42Å; N226-E230 PolarHBondContact ND2-O 2.85Å; N226-E230 PolarHBondContact OD1-N 2.98Å; Q228-E230 HydrophobicContact CB-CG 3.99Å; Q228-E230 PolarHBondContact O-N 2.83Å; E230-V232 HydrophobicContact CB-CG2 4.44Å; E230-V232 PolarHBondContact O-N 2.84Å; E230-V232 VanDerWaalsContact O-N 3.08Å
231M83.6Confident88.5Confident106 Ų10669.2 Ų69.252%0.52232%0.318SS..  trans-69.6108176-73.3-68.6-90.700110.9V222 N224V222-M231 HydrophobicContact CB-CE 4.47Å; V222-M231 HydrophobicContact CG1-CB 4.16Å; V222-M231 HydrophobicContact CG1-CE 3.56Å; V222-M231 HydrophobicContact CG1-SD 4.09Å; N224-M231 HydrophobicContact CB-CG 4.28Å; N224-M231 HydrophobicContact CB-SD 3.67Å
232V85.3Confident88.4Confident66 Ų6668.2 Ų68.240%0.432%0.32SS..EExtended strand (participates in β ladder)trans-116.9136.6-178.3178.40000111.1V222 T223 E230 Q234V222-V232 WeakPolarHBondContact CA-O 2.99Å; T223-V232 PolarHBondContact N-O 3.02Å; T223-V232 PolarHBondContact O-N 3.35Å; E230-V232 HydrophobicContact CB-CG2 4.44Å; E230-V232 PolarHBondContact O-N 2.84Å; E230-V232 VanDerWaalsContact O-N 3.08Å; V232-Q234 PolarHBondContact O-N 3.18Å
233K87.9Confident88.1Confident140 Ų14069.8 Ų69.861%0.60933%0.332SS*.EExtended strand (participates in β ladder)trans-77.6112.3171.8-175.9177.5179.2176.80110.5R221R221-K233 CarbonylContact O-C 3.12Å; R221-K233 WeakPolarHBondContact O-CA 3.34Å
234Q90.8Very high87.2Confident68 Ų6878.1 Ų78.132%0.31837%0.371SS..EExtended strand (participates in β ladder)trans-92.4140.5171.1-67.9-174.7-17.200110.6W207 T220 R221 T223 V232W207-Q234 HydrophobicContact CH2-CB 4.17Å; T220-Q234 CarbonylContact C-O 3.56Å; T220-Q234 WeakPolarHBondContact CA-O 3.4Å; R221-Q234 HydrophobicContact CG-CB 3.96Å; R221-Q234 VanDerWaalsContact CZ-OE1 3.23Å; R221-Q234 PolarHBondContact N-O 3.15Å; R221-Q234 PolarHBondContact O-N 3.08Å; T223-Q234 HydrophobicContact CG2-CG 3.78Å; V232-Q234 PolarHBondContact O-N 3.18Å
235T91.2Very high85.6Confident61 Ų6185.1 Ų85.137%0.37440%0.403SS..EExtended strand (participates in β ladder)trans-125.6136.2178.4-56.30000110W218 S219 T220 P318W218-T235 HydrophobicContact CB-CG2 4.25Å; W218-T235 HydrophobicContact CD2-CG2 4.2Å; W218-T235 HydrophobicContact CE3-CG2 3.49Å; W218-T235 VanDerWaalsContact CE3-CG2 3.49Å; W218-T235 HydrophobicContact CZ3-CG2 4.11Å; S219-T235 CarbonylContact O-C 3.46Å; S219-T235 WeakPolarHBondContact O-CA 3.4Å; T220-T235 HydrophobicContact CG2-CG2 3.95Å; T235-P318 WeakPolarHBondContact O-CG 3.45Å
236R95.3Very high83.4Confident6 Ų685.8 Ų85.82%0.02341%0.414CS..EExtended strand (participates in β ladder)trans-127.7153.2172.272.6-178.8176.5172.21.8111.7W207 W218 S219 T300 T302 P318 M320W207-R236 VanDerWaalsContact CD1-CZ 3.43Å; W207-R236 HydrophobicContact CD2-CG 4.27Å; W207-R236 HydrophobicContact CE3-CG 3.79Å; W207-R236 HydrophobicContact CH2-CB 3.89Å; W207-R236 HydrophobicContact CH2-CG 3.81Å; W207-R236 HydrophobicContact CZ2-CG 4.28Å; W207-R236 HydrophobicContact CZ3-CB 3.96Å; W207-R236 HydrophobicContact CZ3-CG 3.54Å; W218-R236 WeakPolarHBondContact CA-O 3.27Å; S219-R236 PolarHBondContact N-O 2.71Å; S219-R236 PolarHBondContact O-N 3.47Å; R236-T300 PolarHBondContact NH1-OG1 3.43Å; R236-T300 PolarHBondContact NH2-OG1 2.04Å; R236-T302 HydrophobicContact CB-CG2 4.42Å; R236-T302 WeakPolarHBondContact CD-OG1 3.36Å; R236-T302 PolarHBondContact NH1-OG1 2.96Å; R236-P318 WeakPolarHBondContact CA-O 3.3Å; R236-P318 HydrophobicContact CB-CB 4.06Å; R236-P318 HydrophobicContact CB-CG 4.19Å; R236-M320 PolarHBondContact NH2-SD 2.05Å
237L96.3Very high81.6Confident2 Ų286.8 Ų86.81%0.0142%0.423CS..EExtended strand (participates in β ladder)trans-72.5136.7170.4-71.2176.1000109.7M216 G217 W218 F272 F307 K317 P318 V319 M320M216-L237 HydrophobicContact CE-CB 3.53Å; M216-L237 HydrophobicContact CE-CD2 4.32Å; M216-L237 HydrophobicContact CE-CG 4.43Å; M216-L237 HydrophobicContact CG-CD2 4.11Å; M216-L237 HydrophobicContact SD-CB 3.96Å; M216-L237 HydrophobicContact SD-CD1 4.24Å; M216-L237 HydrophobicContact SD-CD2 4.18Å; M216-L237 HydrophobicContact SD-CG 4.36Å; G217-L237 WeakPolarHBondContact O-CA 3.21Å; W218-L237 HydrophobicContact CD2-CD2 4.06Å; W218-L237 HydrophobicContact CE3-CD2 3.55Å; W218-L237 HydrophobicContact CE3-CG 4.25Å; W218-L237 HydrophobicContact CH2-CD2 3.62Å; W218-L237 HydrophobicContact CH2-CG 4.47Å; W218-L237 HydrophobicContact CZ2-CD2 4.08Å; W218-L237 HydrophobicContact CZ3-CD2 3.32Å; W218-L237 HydrophobicContact CZ3-CG 3.89Å; L237-F272 HydrophobicContact CD1-CB 4.22Å; L237-F272 HydrophobicContact CD1-CD1 4.38Å; L237-F272 HydrophobicContact CD1-CD2 4.08Å; L237-F272 HydrophobicContact CD1-CG 3.94Å; L237-F272 HydrophobicContact CD2-CD2 3.48Å; L237-F272 VanDerWaalsContact CD2-CD2 3.48Å; L237-F272 HydrophobicContact CD2-CE2 3.57Å; L237-F272 HydrophobicContact CD2-CG 4.19Å; L237-F272 HydrophobicContact CD2-CZ 4.33Å; L237-F272 HydrophobicContact CG-CD2 4.46Å; L237-F307 HydrophobicContact CD1-CE2 4.15Å; L237-F307 HydrophobicContact CD1-CZ 4.13Å; L237-K317 HydrophobicContact CD1-CB 3.78Å; L237-K317 HydrophobicContact CD1-CG 4.31Å; L237-P318 PolarHBondContact N-O 2.68Å; L237-V319 HydrophobicContact CB-CB 4.47Å; L237-V319 HydrophobicContact CB-CG1 4.47Å; L237-V319 HydrophobicContact CB-CG2 4.04Å; L237-V319 HydrophobicContact CD1-CG2 4.1Å; L237-V319 CarbonylContact O-C 3.52Å; L237-V319 WeakPolarHBondContact O-CA 3.06Å; L237-M320 WeakPolarHBondContact O-CB 3Å; L237-M320 PolarHBondContact O-N 3.43Å
238C94.7Very high79.5Confident0 Ų081.9 Ų81.90%042%0.419CS..EExtended strand (participates in β ladder)trans-135140.2177.557.30000112.1C210 M216 G217 W218 M320C210-C238 WeakPolarHBondContact CA-SG 3.48Å; C210-C238 HydrophobicContact CB-CB 3.9Å; C210-C238 WeakPolarHBondContact CB-SG 3.4Å; C210-C238 VanDerWaalsContact SG-C 3.56Å; C210-C238 WeakPolarHBondContact SG-CB 3.43Å; C210-C238 PolarHBondContact SG-O 2.83Å; C210-C238 CovalentContact SG-SG 2.04Å; C210-C238 PolarHBondContact SG-SG 3.43Å; M216-C238 WeakPolarHBondContact CE-O 3.38Å; G217-C238 PolarHBondContact N-O 3.08Å; G217-C238 PolarHBondContact O-N 2.8Å; W218-C238 PolarHBondContact N-SG 3.03Å; W218-C238 VanDerWaalsContact N-SG 3.4Å; W218-C238 PolarHBondContact O-SG 2.03Å; W218-C238 VanDerWaalsContact O-SG 3.39Å; C238-M320 HydrophobicContact CB-CB 4.09Å; C238-M320 HydrophobicContact CB-CE 3.54Å; C238-M320 HydrophobicContact CB-SD 3.92Å
239M92.5Very high77.2Confident33 Ų3381.3 Ų81.316%0.16343%0.426CS..  trans-133.9105.5174.2-175.8179.3-67.300108.8G215 M216 F285G215-M239 WeakPolarHBondContact O-CA 3.36Å; G215-M239 WeakPolarHBondContact O-CG 3.25Å; M216-M239 HydrophobicContact CB-CE 3.98Å; M216-M239 HydrophobicContact CE-CB 4.06Å; M216-M239 HydrophobicContact SD-CE 4.36Å; M239-F285 HydrophobicContact CB-CE1 4.41Å; M239-F285 HydrophobicContact CG-CD1 4.4Å; M239-F285 HydrophobicContact CG-CE1 3.76Å; M239-F285 HydrophobicContact SD-CE1 3.6Å; M239-F285 HydrophobicContact SD-CZ 3.97Å
240V89.9Confident75.2Confident12 Ų1284.4 Ų84.47%0.07345%0.446CS..SBendtrans-72.4-42-178.7-179.20000110.7C210 F285 C286 P297C210-V240 HydrophobicContact CB-CG2 3.65Å; V240-F285 CarbonylContact O-C 3.49Å; V240-F285 VanDerWaalsContact O-CA 3.31Å; V240-F285 WeakPolarHBondContact O-CA 2.97Å; V240-F285 WeakPolarHBondContact O-CB 3.34Å; V240-C286 HydrophobicContact CG1-CB 3.87Å; V240-C286 PolarHBondContact O-N 3.1Å; V240-P297 HydrophobicContact CG2-CG 4.24Å
241R88.2Confident73.1Confident85 Ų8584.9 Ų84.932%0.32146%0.458SS..SBendtrans-159.4152.5179.451.5-171.6146.5-175.7-7.9110S213 C214 G215 F285S213-R241 WeakPolarHBondContact O-CG 3.46Å; S213-R241 PolarHBondContact O-NE 3.13Å; C214-R241 CarbonylContact C-O 3.59Å; C214-R241 VanDerWaalsContact CA-O 3.27Å; C214-R241 WeakPolarHBondContact CA-O 3.33Å; C214-R241 HydrophobicContact CB-CG 3.95Å; G215-R241 PolarHBondContact N-O 2.84Å; R241-F285 HydrophobicContact CB-CB 4.43Å
242P88Confident71.3Confident47 Ų4787.1 Ų87.131%0.30547%0.472SS..  trans-65.4152.5168.628.7-34000110.5F285P242-F285 HydrophobicContact CG-CD2 4.4Å; P242-F285 HydrophobicContact CG-CE2 4.34Å
243C83.6Confident69.2Low82 Ų8293.7 Ų93.755%0.55450%0.495SS*.SBendtrans-81.8-29.4175.7-60.20000112.2C214 G215C214-C243 HydrophobicContact CB-CB 4.03Å; C214-C243 WeakPolarHBondContact CB-SG 3Å; C214-C243 WeakPolarHBondContact SG-CB 3.46Å; C214-C243 CovalentContact SG-SG 2.06Å; C214-C243 PolarHBondContact SG-SG 2.87Å; G215-C243 PolarHBondContact N-SG 3.31Å
244E68.8Low67Low177 Ų17797.4 Ų97.483%0.82751%0.511SS*.SBendtrans-115.287.3-179.6-70.2176.7-175.600110.7
245Q55Low64.6Low157 Ų15797.1 Ų97.173%0.73453%0.526SS*.  trans-170.386154.5-109.416265.200107.9P247Q245-P247 WeakPolarHBondContact O-CD 3.31Å
246E40.7Very low62.7Low185 Ų185103.5 Ų103.586%0.86455%0.549SS*.  trans-49115158.3-81.6-66.8147.100108.7
247P47.2Very low60.5Low69 Ų69110.9 Ų110.945%0.44858%0.581SS.*  trans-85.5115.6165.910.28.8000108.2Q245Q245-P247 WeakPolarHBondContact O-CD 3.31Å
248T39.2Very low58.4Low126 Ų126112.6 Ų112.677%0.77359%0.592SS**  trans-36.5128.5160.331.20000110.9P250T248-P250 VanDerWaalsContact O-CD 3.3Å; T248-P250 WeakPolarHBondContact O-CD 3.19Å
249P35.2Very low56.7Low121 Ų121119.2 Ų119.279%0.78663%0.627SS**PPolyproline II helixtrans-66.7121.7-177.624.5-31.1000109.6
250P41.2Very low55.1Low106 Ų106125.2 Ų125.269%0.68865%0.648SS**PPolyproline II helixtrans-77.3133164.66.211.1000108.5T248T248-P250 VanDerWaalsContact O-CD 3.3Å; T248-P250 WeakPolarHBondContact O-CD 3.19Å
251T40.3Very low53.8Low134 Ų134127.2 Ų127.282%0.82266%0.66SS**PPolyproline II helixtrans-48.1144.217835.60000114.2
252D46.2Very low52.8Low152 Ų152127.2 Ų127.281%0.81366%0.662SS**  trans-32.3123.6-177.5-65.3-67.3000116.7
253K41.8Very low51.8Low204 Ų204131.1 Ų131.189%0.88768%0.675SS**  trans-140109.9142.2-67.6-165.3179.7-176.90110.1G255K253-G255 PolarHBondContact O-N 2.88Å
254K42.1Very low51.3Low219 Ų219128.2 Ų128.295%0.95266%0.655SS**  trans-58.8117.5174.5-83176.5174.4175.60110.6
255G39.7Very low51.4Low61 Ų61127.9 Ų127.963%0.62966%0.658SS**  trans-178.5123.1170.400000110.8K253 K257K253-G255 PolarHBondContact O-N 2.88Å; G255-K257 PolarHBondContact O-N 3.5Å
256K52.1Low52.5Low196 Ų196128.1 Ų128.185%0.85266%0.657SS**  trans-57.6120.9176.9-59179.3178.4-177.90110.1
257K47.9Very low54.7Low161 Ų161121.3 Ų121.370%0.763%0.632SS**SBendtrans174.5142.7160.5-96.3152.2-166.5-170.70112.1G255 L259G255-K257 PolarHBondContact O-N 3.5Å; K257-L259 VanDerWaalsContact C-N 3.28Å; K257-L259 HydrophobicContact CB-CD1 3.91Å; K257-L259 HydrophobicContact CB-CG 4.16Å; K257-L259 PolarHBondContact O-N 3.3Å
258C52.1Low56.8Low37 Ų37120.8 Ų120.825%0.2563%0.625CS.*  trans-64.789.5163.8-1610000108.1C295 C327C258-C295 WeakPolarHBondContact CB-SG 3.02Å; C258-C295 WeakPolarHBondContact SG-CB 3.34Å; C258-C295 CovalentContact SG-SG 2.1Å; C258-C295 PolarHBondContact SG-SG 3.02Å; C258-C327 HydrophobicContact CB-CB 4.33Å; C258-C327 WeakPolarHBondContact CB-SG 3.39Å; C258-C327 PolarHBondContact SG-SG 3.14Å
259L59.2Low59.3Low140 Ų140119 Ų11973%0.73361%0.608SS**  trans-106.978.4178.9-95.7157.9000110.3K257K257-L259 VanDerWaalsContact C-N 3.28Å; K257-L259 HydrophobicContact CB-CD1 3.91Å; K257-L259 HydrophobicContact CB-CG 4.16Å; K257-L259 PolarHBondContact O-N 3.3Å
260R60Low62.1Low159 Ų159114 Ų11460%0.657%0.574SS**  168.1106128.8-99168.7148.4122-6.3108.9K262 G287R260-K262 VanDerWaalsContact C-N 3.25Å; R260-K262 HydrophobicContact CB-CG 3.76Å; R260-K262 HydrophobicContact CG-CG 4.29Å; R260-K262 PolarHBondContact O-N 2.83Å; R260-G287 PolarHBondContact O-N 2.87Å
261T61.1Low64.5Low53 Ų53115.4 Ų115.433%0.32557%0.571SS.*  trans-57.3102.6134.938.80000106.8K263 F285 I322 C325T261-K263 PolarHBondContact O-N 2.03Å; T261-F285 CarbonylContact C-O 3.6Å; T261-F285 VanDerWaalsContact CA-O 3.23Å; T261-F285 WeakPolarHBondContact CA-O 3.03Å; T261-I322 HydrophobicContact CG2-CG2 4.45Å; T261-C325 HydrophobicContact CG2-CB 4.27Å; T261-C325 VanDerWaalsContact CG2-SG 3.5Å
262K66.7Low66.9Low85 Ų85110 Ų11037%0.3754%0.537SS..EExtended strand (participates in β ladder)trans-76.7105173.1-73.7-168.8178.3176.20106.8R260 S264 F285R260-K262 VanDerWaalsContact C-N 3.25Å; R260-K262 HydrophobicContact CB-CG 3.76Å; R260-K262 HydrophobicContact CG-CG 4.29Å; R260-K262 PolarHBondContact O-N 2.83Å; K262-S264 PolarHBondContact O-N 2.89Å; K262-F285 PolarHBondContact N-O 2.72Å; K262-F285 PolarHBondContact O-N 3.49Å
263K68.4Low68.9Low130 Ų130110.9 Ų110.957%0.56553%0.533SS*.EExtended strand (participates in β ladder)trans-59.4132.5160.8-80.1-178178.3-177.70107T261 L265 R284T261-K263 PolarHBondContact O-N 2.03Å; K263-L265 PolarHBondContact O-N 2.86Å; K263-R284 VanDerWaalsContact CE-CZ 3.45Å; K263-R284 HydrophobicContact CG-CG 3.64Å
264S73Confident71.3Confident21 Ų21107.4 Ų107.415%0.14752%0.524CS..  trans-55.6126.9170.7-173.80000108.9K262 K266 P283K262-S264 PolarHBondContact O-N 2.89Å; S264-K266 WeakPolarHBondContact CB-O 3.39Å; S264-K266 PolarHBondContact O-N 2.96Å; S264-K266 PolarHBondContact OG-O 3.5Å; S264-P283 PolarHBondContact N-O 3.47Å
265L70.6Confident73.7Confident170 Ų17097.4 Ų97.489%0.8948%0.482SS*.SBendtrans-64.7-29.5178.9-65.1173.8000111K263K263-L265 PolarHBondContact O-N 2.86Å
266K77.9Confident76.3Confident162 Ų16297.4 Ų97.470%0.70447%0.47SS*.SBendtrans-115.8147.6178.9-62.6-178.1-179.3179.90110.5S264 I268S264-K266 WeakPolarHBondContact CB-O 3.39Å; S264-K266 PolarHBondContact O-N 2.96Å; S264-K266 PolarHBondContact OG-O 3.5Å; K266-I268 PolarHBondContact O-N 2.81Å
267A87.8Confident78.4Confident41 Ų4188.1 Ų88.134%0.33943%0.43SS..  trans-71125.916600000107.5Y281 K282A267-Y281 CarbonylContact C-O 3.55Å; A267-Y281 VanDerWaalsContact CA-O 3.3Å; A267-Y281 WeakPolarHBondContact CA-O 3.42Å; A267-K282 HydrophobicContact CB-CG 3.79Å
268I89.6Confident80.6Confident58 Ų5883.6 Ų83.630%0.29741%0.413SS..BIsolated β-bridgetrans-118.7150.5-175.862.9171.7000110K266 T280 Y281 P283 F285K266-I268 PolarHBondContact O-N 2.81Å; I268-T280 CarbonylContact O-C 3.59Å; I268-T280 WeakPolarHBondContact O-CA 3.38Å; I268-Y281 PolarHBondContact N-O 3.07Å; I268-Y281 PolarHBondContact O-N 3.32Å; I268-P283 HydrophobicContact CD1-CG 3.98Å; I268-P283 HydrophobicContact CG1-CG 4.13Å; I268-F285 HydrophobicContact CD1-CZ 4.19Å
269H92.9Very high82.5Confident90 Ų9087.5 Ų87.542%0.41743%0.427SS..  trans-76.4137.5164.5-69.3-85.3000109.4T276 S277 H279 T280H269-T276 HydrophobicContact CB-CG2 3.56Å; H269-S277 WeakPolarHBondContact CA-OG 3.23Å; H269-S277 PolarHBondContact ND1-O 3.43Å; H269-H279 PolarHBondContact ND1-O 2.02Å; H269-T280 WeakPolarHBondContact NE2-CG2 3.04Å
270L93.1Very high84.2Confident14 Ų1484.2 Ų84.27%0.07341%0.413CS..  trans-81.6135.9172.7-59176.7000108.4S277 Y281 V305 F307 V319L270-S277 PolarHBondContact N-OG 3.47Å; L270-S277 PolarHBondContact O-N 3.4Å; L270-Y281 HydrophobicContact CD1-CD2 3.97Å; L270-Y281 HydrophobicContact CD1-CE2 4.45Å; L270-Y281 HydrophobicContact CD1-CG 4.31Å; L270-Y281 HydrophobicContact CG-CD2 4.07Å; L270-V305 HydrophobicContact CD1-CG1 4.44Å; L270-V305 HydrophobicContact CD1-CG2 4.34Å; L270-F307 HydrophobicContact CB-CE1 3.87Å; L270-F307 HydrophobicContact CB-CZ 4.14Å; L270-F307 WeakPolarHBondContact O-CE1 3.23Å; L270-V319 HydrophobicContact CD1-CG1 4.09Å
271Q91.5Very high85.7Confident136 Ų13679.2 Ų79.264%0.63640%0.395SS*.EExtended strand (participates in β ladder)trans-111.1133.4178-69.5179.9-11.700110.2
272F90.6Very high87.1Confident20 Ų2083.8 Ų83.89%0.08841%0.41CS..EExtended strand (participates in β ladder)trans-142111.6175.6171.1-109.3000109.3M216 W218 L237 N274 C275 F307 I315M216-F272 HydrophobicContact CG-CD2 4.12Å; W218-F272 HydrophobicContact CH2-CE1 4.36Å; W218-F272 AromaticContact CH2-CE2 3.46Å; W218-F272 HydrophobicContact CH2-CE2 3.46Å; W218-F272 VanDerWaalsContact CH2-CE2 3.46Å; W218-F272 AromaticContact CH2-CZ 3.32Å; W218-F272 HydrophobicContact CH2-CZ 3.32Å; W218-F272 AromaticContact CZ2-CE2 3.28Å; W218-F272 HydrophobicContact CZ2-CE2 3.28Å; W218-F272 AromaticContact CZ2-CZ 3.44Å; W218-F272 HydrophobicContact CZ2-CZ 3.44Å; W218-F272 VanDerWaalsContact CZ2-CZ 3.44Å; W218-F272 HydrophobicContact CZ3-CE2 4.45Å; W218-F272 HydrophobicContact CZ3-CZ 4.48Å; L237-F272 HydrophobicContact CD1-CB 4.22Å; L237-F272 HydrophobicContact CD1-CD1 4.38Å; L237-F272 HydrophobicContact CD1-CD2 4.08Å; L237-F272 HydrophobicContact CD1-CG 3.94Å; L237-F272 HydrophobicContact CD2-CD2 3.48Å; L237-F272 VanDerWaalsContact CD2-CD2 3.48Å; L237-F272 HydrophobicContact CD2-CE2 3.57Å; L237-F272 HydrophobicContact CD2-CG 4.19Å; L237-F272 HydrophobicContact CD2-CZ 4.33Å; L237-F272 HydrophobicContact CG-CD2 4.46Å; F272-N274 PolarHBondContact O-N 2.8Å; F272-C275 PolarHBondContact N-O 2.87Å; F272-C275 WeakPolarHBondContact O-CA 3.35Å; F272-C275 VanDerWaalsContact O-CB 3.27Å; F272-C275 WeakPolarHBondContact O-CB 3.44Å; F272-C275 PolarHBondContact O-N 3.31Å; F272-F307 HydrophobicContact CB-CD1 4.27Å; F272-F307 HydrophobicContact CB-CE1 3.95Å; F272-F307 HydrophobicContact CB-CZ 4.35Å; F272-I315 HydrophobicContact CD1-CD1 4.46Å; F272-I315 HydrophobicContact CE1-CD1 4.49Å
273K89.1Confident88.2Confident171 Ų17180.9 Ų80.974%0.74340%0.4SS*.THydrogen-bonded Turntrans51.2-129.7-172.4-58.4-177.3174.9-171.60109.8C275K273-C275 PolarHBondContact O-N 3Å
274N91.1Very high89.2Confident131 Ų13178.6 Ų78.670%0.70139%0.388SS*.THydrogen-bonded Turntrans-88.627178.2-59.7-14000112.7F272 C309 S310F272-N274 PolarHBondContact O-N 2.8Å; N274-C309 WeakPolarHBondContact O-CA 3Å; N274-S310 PolarHBondContact O-N 2.93Å
275C93.5Very high90Very high10 Ų1078.3 Ų78.37%0.06838%0.384CS..EExtended strand (participates in β ladder)trans-125.9139.8-176.2-40.60000112F272 K273 F307 Q308 C309F272-C275 PolarHBondContact N-O 2.87Å; F272-C275 WeakPolarHBondContact O-CA 3.35Å; F272-C275 VanDerWaalsContact O-CB 3.27Å; F272-C275 WeakPolarHBondContact O-CB 3.44Å; F272-C275 PolarHBondContact O-N 3.31Å; K273-C275 PolarHBondContact O-N 3Å; C275-F307 HydrophobicContact CB-CB 3.78Å; C275-F307 HydrophobicContact CB-CD1 4.39Å; C275-F307 HydrophobicContact CB-CG 4.45Å; C275-Q308 CarbonylContact C-O 3.55Å; C275-Q308 VanDerWaalsContact CA-O 3.25Å; C275-Q308 WeakPolarHBondContact CA-O 3.39Å; C275-C309 HydrophobicContact CB-CB 3.91Å; C275-C309 WeakPolarHBondContact CB-SG 3.21Å; C275-C309 WeakPolarHBondContact SG-CB 3.39Å; C275-C309 CovalentContact SG-SG 2.02Å; C275-C309 PolarHBondContact SG-SG 3.05Å
276T94.5Very high90.8Very high60 Ų6070.5 Ų70.537%0.36834%0.343SS..EExtended strand (participates in β ladder)trans-119.8137.7179.5-57.90000109.2H269 F307 Q308H269-T276 HydrophobicContact CB-CG2 3.56Å; T276-F307 CarbonylContact O-C 3.53Å; T276-F307 WeakPolarHBondContact O-CA 3.15Å; T276-Q308 PolarHBondContact N-O 2.88Å; T276-Q308 PolarHBondContact O-N 2.74Å
277S95.4Very high91Very high2 Ų263.8 Ų63.81%0.01432%0.32CS..EExtended strand (participates in β ladder)trans-61.8141178.7650000111.3H269 L270 H279 E306H269-S277 WeakPolarHBondContact CA-OG 3.23Å; H269-S277 PolarHBondContact ND1-O 3.43Å; L270-S277 PolarHBondContact N-OG 3.47Å; L270-S277 PolarHBondContact O-N 3.4Å; S277-H279 VanDerWaalsContact C-N 3.34Å; S277-H279 WeakPolarHBondContact CB-O 3.25Å; S277-H279 PolarHBondContact O-N 3.37Å; S277-H279 PolarHBondContact OG-O 3.09Å; S277-E306 WeakPolarHBondContact CA-O 3.41Å
278L93.6Very high90.5Very high65 Ų6567.1 Ų67.134%0.3434%0.336SS..SBendtrans-63.8-42.2177.7-70.2177.1000111.8E306 Q308 T314L278-E306 HydrophobicContact CD1-CB 3.81Å; L278-E306 HydrophobicContact CG-CB 4.35Å; L278-E306 PolarHBondContact N-O 2.81Å; L278-Q308 HydrophobicContact CD2-CB 3.73Å; L278-Q308 HydrophobicContact CD2-CG 4.46Å; L278-T314 HydrophobicContact CD1-CG2 4.1Å
279H93.9Very high90Very high119 Ų11965.1 Ų65.155%0.55133%0.327SS*.SBendtrans-99.6157.1178.4-59.1-58.2000111.7H269 S277 Y281H269-H279 PolarHBondContact ND1-O 2.02Å; S277-H279 VanDerWaalsContact C-N 3.34Å; S277-H279 WeakPolarHBondContact CB-O 3.25Å; S277-H279 PolarHBondContact O-N 3.37Å; S277-H279 PolarHBondContact OG-O 3.09Å; H279-Y281 HydrophobicContact CB-CE2 4.08Å; H279-Y281 VanDerWaalsContact O-CD2 3.3Å; H279-Y281 WeakPolarHBondContact O-CD2 3.44Å; H279-Y281 WeakPolarHBondContact O-CE2 3.02Å
280T93.1Very high89.1Confident72 Ų7266.1 Ų66.144%0.44234%0.344SS..  trans-86.7145.5168.856.50000110.5I268 H269I268-T280 CarbonylContact O-C 3.59Å; I268-T280 WeakPolarHBondContact O-CA 3.38Å; H269-T280 WeakPolarHBondContact NE2-CG2 3.04Å
281Y92.4Very high88.1Confident54 Ų5469.3 Ų69.321%0.21236%0.361CS..BIsolated β-bridgetrans-125.2149.7-179.3-64-91.7000109.9A267 I268 L270 H279 P283 I303 V305A267-Y281 CarbonylContact C-O 3.55Å; A267-Y281 VanDerWaalsContact CA-O 3.3Å; A267-Y281 WeakPolarHBondContact CA-O 3.42Å; I268-Y281 PolarHBondContact N-O 3.07Å; I268-Y281 PolarHBondContact O-N 3.32Å; L270-Y281 HydrophobicContact CD1-CD2 3.97Å; L270-Y281 HydrophobicContact CD1-CE2 4.45Å; L270-Y281 HydrophobicContact CD1-CG 4.31Å; L270-Y281 HydrophobicContact CG-CD2 4.07Å; H279-Y281 HydrophobicContact CB-CE2 4.08Å; H279-Y281 VanDerWaalsContact O-CD2 3.3Å; H279-Y281 WeakPolarHBondContact O-CD2 3.44Å; H279-Y281 WeakPolarHBondContact O-CE2 3.02Å; Y281-P283 WeakPolarHBondContact O-CD 3.32Å; Y281-I303 HydrophobicContact CD1-CD1 4.11Å; Y281-I303 HydrophobicContact CE1-CD1 3.86Å; Y281-V305 HydrophobicContact CE1-CG2 4.29Å; Y281-V305 HydrophobicContact CE2-CG1 3.81Å; Y281-V305 HydrophobicContact CE2-CG2 4.39Å
282K90.3Very high87.1Confident148 Ų14866.4 Ų66.464%0.64337%0.368SS*.  trans-105.573.7170.6-70.7-175179.5-179.40110A267A267-K282 HydrophobicContact CB-CG 3.79Å
283P90.2Very high86.7Confident24 Ų2469.6 Ų69.616%0.15638%0.379CS..  trans-65.6155-177.828.2-35.4000111.6S264 I268 Y281 F285S264-P283 PolarHBondContact N-O 3.47Å; I268-P283 HydrophobicContact CD1-CG 3.98Å; I268-P283 HydrophobicContact CG1-CG 4.13Å; Y281-P283 WeakPolarHBondContact O-CD 3.32Å; P283-F285 HydrophobicContact CB-CE1 4.05Å; P283-F285 HydrophobicContact CB-CE2 4.4Å; P283-F285 HydrophobicContact CB-CZ 3.89Å; P283-F285 HydrophobicContact CG-CE1 4.01Å; P283-F285 HydrophobicContact CG-CE2 3.77Å; P283-F285 HydrophobicContact CG-CZ 3.35Å
284R89.7Confident86.3Confident82 Ų8262.7 Ų62.731%0.30935%0.352SS..EExtended strand (participates in β ladder)trans-95.9141.1163.8-68.8-177.7-177.884.7-8.2108.3K263 I322 G323K263-R284 VanDerWaalsContact CE-CZ 3.45Å; K263-R284 HydrophobicContact CG-CG 3.64Å; R284-I322 HydrophobicContact CB-CB 4.26Å; R284-I322 WeakPolarHBondContact CB-O 3.44Å; R284-I322 WeakPolarHBondContact CD-O 3.06Å; R284-G323 WeakPolarHBondContact CD-O 3.39Å
285F89.2Confident86Confident16 Ų1656.8 Ų56.87%0.0732%0.321CS..EExtended strand (participates in β ladder)trans-119.5148.5175.5-60.4-60.2000110.9M239 V240 R241 P242 T261 K262 I268 P283M239-F285 HydrophobicContact CB-CE1 4.41Å; M239-F285 HydrophobicContact CG-CD1 4.4Å; M239-F285 HydrophobicContact CG-CE1 3.76Å; M239-F285 HydrophobicContact SD-CE1 3.6Å; M239-F285 HydrophobicContact SD-CZ 3.97Å; V240-F285 CarbonylContact O-C 3.49Å; V240-F285 VanDerWaalsContact O-CA 3.31Å; V240-F285 WeakPolarHBondContact O-CA 2.97Å; V240-F285 WeakPolarHBondContact O-CB 3.34Å; R241-F285 HydrophobicContact CB-CB 4.43Å; P242-F285 HydrophobicContact CG-CD2 4.4Å; P242-F285 HydrophobicContact CG-CE2 4.34Å; T261-F285 CarbonylContact C-O 3.6Å; T261-F285 VanDerWaalsContact CA-O 3.23Å; T261-F285 WeakPolarHBondContact CA-O 3.03Å; K262-F285 PolarHBondContact N-O 2.72Å; K262-F285 PolarHBondContact O-N 3.49Å; I268-F285 HydrophobicContact CD1-CZ 4.19Å; P283-F285 HydrophobicContact CB-CE1 4.05Å; P283-F285 HydrophobicContact CB-CE2 4.4Å; P283-F285 HydrophobicContact CB-CZ 3.89Å; P283-F285 HydrophobicContact CG-CE1 4.01Å; P283-F285 HydrophobicContact CG-CE2 3.77Å; P283-F285 HydrophobicContact CG-CZ 3.35Å
286C87Confident85.6Confident5 Ų557.9 Ų57.93%0.03433%0.328CS..  trans-79.9139171.6-60.30000110.5V240 C325V240-C286 HydrophobicContact CG1-CB 3.87Å; V240-C286 PolarHBondContact O-N 3.1Å; C286-C325 WeakPolarHBondContact CA-SG 3.36Å; C286-C325 HydrophobicContact CB-CB 3.84Å; C286-C325 WeakPolarHBondContact CB-SG 3.49Å; C286-C325 WeakPolarHBondContact SG-CB 3.39Å; C286-C325 CovalentContact SG-SG 2.04Å; C286-C325 PolarHBondContact SG-SG 3.4Å
287G82Confident85.4Confident21 Ų2156.9 Ų56.922%0.21632%0.322CS..  trans-87.4-155.6175.600000113.1R260R260-G287 PolarHBondContact O-N 2.87Å
288V77.4Confident85Confident112 Ų11262.5 Ų62.568%0.67935%0.348SS*.  trans-111.5148.2172.4-67.50000109.6
289C80.3Confident84.8Confident15 Ų1563.4 Ų63.410%0.10135%0.353CS..  trans-84.9141.7171.7-44.80000109D291 R293 C295 C327C289-D291 WeakPolarHBondContact CB-OD1 3.3Å; C289-D291 PolarHBondContact O-N 3.33Å; C289-R293 HydrophobicContact CB-CB 3.97Å; C289-R293 WeakPolarHBondContact CB-O 3.47Å; C289-R293 PolarHBondContact SG-O 2.94Å; C289-C295 WeakPolarHBondContact SG-CB 3.39Å; C289-C295 PolarHBondContact SG-N 3Å; C289-C295 VanDerWaalsContact SG-N 3.43Å; C289-C327 HydrophobicContact CB-CB 4.15Å; C289-C327 WeakPolarHBondContact CB-SG 3.48Å; C289-C327 WeakPolarHBondContact SG-CB 3.21Å; C289-C327 CovalentContact SG-SG 2.01Å; C289-C327 PolarHBondContact SG-SG 2.87Å
290S72.6Confident84.7Confident112 Ų11259.5 Ų59.578%0.78334%0.337SS*.THydrogen-bonded Turntrans-77.7-8.2179.248.80000114
291D72.9Confident84.7Confident80 Ų8063.2 Ų63.243%0.42835%0.347SS..THydrogen-bonded Turntrans-107.819.3-174.358.3-0.1000113.2C289 R293C289-D291 WeakPolarHBondContact CB-OD1 3.3Å; C289-D291 PolarHBondContact O-N 3.33Å; D291-R293 VanDerWaalsContact CG-NE 3.32Å; D291-R293 PolarHBondContact O-N 2.84Å; D291-R293 WeakPolarHBondContact OD1-CB 3.48Å; D291-R293 PolarHBondContact OD1-N 2.05Å; D291-R293 IonicContact OD1-NE 3.3Å; D291-R293 PolarHBondContact OD1-NE 3.26Å; D291-R293 IonicContact OD2-CZ 3.12Å; D291-R293 IonicContact OD2-NE 2.76Å; D291-R293 PolarHBondContact OD2-NE 3.07Å; D291-R293 IonicContact OD2-NH2 2.67Å; D291-R293 PolarHBondContact OD2-NH2 2.71Å
292G70.4Confident84.8Confident75 Ų7563.4 Ų63.477%0.77336%0.355SS*.SBendtrans77.3-1.5179.100000114.9
293R81.3Confident85.1Confident87 Ų8759.2 Ų59.233%0.32834%0.338SS..  trans-74.2157.2171.6-68.2-172.5-66.8165-9.3111.7C289 D291 C327 H328C289-R293 HydrophobicContact CB-CB 3.97Å; C289-R293 WeakPolarHBondContact CB-O 3.47Å; C289-R293 PolarHBondContact SG-O 2.94Å; D291-R293 VanDerWaalsContact CG-NE 3.32Å; D291-R293 PolarHBondContact O-N 2.84Å; D291-R293 WeakPolarHBondContact OD1-CB 3.48Å; D291-R293 PolarHBondContact OD1-N 2.05Å; D291-R293 IonicContact OD1-NE 3.3Å; D291-R293 PolarHBondContact OD1-NE 3.26Å; D291-R293 IonicContact OD2-CZ 3.12Å; D291-R293 IonicContact OD2-NE 2.76Å; D291-R293 PolarHBondContact OD2-NE 3.07Å; D291-R293 IonicContact OD2-NH2 2.67Å; D291-R293 PolarHBondContact OD2-NH2 2.71Å; R293-C327 HydrophobicContact CB-CB 4.07Å; R293-C327 PolarHBondContact NH1-O 3.41Å; R293-H328 WeakPolarHBondContact CB-O 3.34Å
294C80.9Confident85.4Confident26 Ų2664.1 Ų64.118%0.17636%0.359CS..EExtended strand (participates in β ladder)trans-87.1137.7169.539.60000110.3C327 H328 C331C294-C327 VanDerWaalsContact O-CA 3.31Å; C294-C327 WeakPolarHBondContact O-CA 3.48Å; C294-H328 PolarHBondContact N-O 2.96Å; C294-H328 VanDerWaalsContact N-O 3.16Å; C294-H328 PolarHBondContact O-N 3.38Å; C294-H328 PolarHBondContact SG-CE1 3.44Å; C294-H328 PolarHBondContact SG-O 2.98Å; C294-C331 HydrophobicContact CB-CB 3.9Å; C294-C331 WeakPolarHBondContact CB-SG 3.45Å; C294-C331 PolarHBondContact N-SG 3.08Å; C294-C331 VanDerWaalsContact N-SG 3.4Å; C294-C331 WeakPolarHBondContact SG-CA 3.45Å; C294-C331 WeakPolarHBondContact SG-CB 3.45Å; C294-C331 CovalentContact SG-SG 2.05Å; C294-C331 PolarHBondContact SG-SG 2.92Å
295C84.9Confident85.7Confident7 Ų760.2 Ų60.25%0.04734%0.344CS..EExtended strand (participates in β ladder)trans-99.9115.6171.2-150.80000109.1C258 C289 T326C258-C295 WeakPolarHBondContact CB-SG 3.02Å; C258-C295 WeakPolarHBondContact SG-CB 3.34Å; C258-C295 CovalentContact SG-SG 2.1Å; C258-C295 PolarHBondContact SG-SG 3.02Å; C289-C295 WeakPolarHBondContact SG-CB 3.39Å; C289-C295 PolarHBondContact SG-N 3Å; C289-C295 VanDerWaalsContact SG-N 3.43Å; C295-T326 VanDerWaalsContact CA-O 3.29Å; C295-T326 WeakPolarHBondContact CA-O 3.41Å
296T86.6Confident86Confident34 Ų3462.5 Ų62.521%0.20936%0.355CS..EExtended strand (participates in β ladder)trans-118.6160.8-178.160.90000111.4H298 C325 T326 H328T296-H298 PolarHBondContact O-N 2.99Å; T296-C325 CarbonylContact O-C 3.56Å; T296-C325 WeakPolarHBondContact O-CA 3.44Å; T296-C325 WeakPolarHBondContact O-CB 3.32Å; T296-T326 PolarHBondContact N-O 2.88Å; T296-T326 PolarHBondContact O-N 3.12Å; T296-H328 WeakPolarHBondContact CG2-NE2 3.4Å; T296-H328 PolarHBondContact OG1-CD2 3.46Å; T296-H328 VanDerWaalsContact OG1-CD2 3.24Å; T296-H328 PolarHBondContact OG1-NE2 2.92Å
297P89.9Confident86.5Confident38 Ų3862.2 Ų62.225%0.24735%0.354CS..EExtended strand (participates in β ladder)trans-62.6131.8176.8-2032.5000111.7V240 T300 M320 I322V240-P297 HydrophobicContact CG2-CG 4.24Å; P297-T300 HydrophobicContact CB-CG2 3.52Å; P297-M320 HydrophobicContact CB-CE 4.44Å; P297-M320 HydrophobicContact CG-CE 3.96Å; P297-I322 HydrophobicContact CB-CD1 4.4Å; P297-I322 HydrophobicContact CB-CG1 4.27Å; P297-I322 HydrophobicContact CG-CD1 3.98Å; P297-I322 HydrophobicContact CG-CG1 4.33Å
298H86.6Confident87.1Confident120 Ų12066.6 Ų66.656%0.55637%0.368SS*.  trans-106.6-69.1177.6179.8-105.4000110.9T296 T324 T326T296-H298 PolarHBondContact O-N 2.99Å; H298-T324 PolarHBondContact N-O 3.04Å; H298-T326 HydrophobicContact CB-CG2 4.05Å
299N88.5Confident87.9Confident85 Ų8561.8 Ų61.846%0.45534%0.34SS..SBendtrans-91.8118.3173.2-173.5-5.3000109.6G323 T324N299-G323 WeakPolarHBondContact O-CA 3.39Å; N299-G323 PolarHBondContact O-N 2.74Å; N299-T324 VanDerWaalsContact CB-OG1 3.3Å; N299-T324 WeakPolarHBondContact CB-OG1 3.48Å; N299-T324 PolarHBondContact N-O 2.86Å; N299-T324 PolarHBondContact N-OG1 3.41Å; N299-T324 PolarHBondContact O-N 2.86Å
300T92.3Very high88.2Confident36 Ų3665.9 Ų65.922%0.22137%0.369CS..EExtended strand (participates in β ladder)trans-131.4146.7179.869.20000111.7R236 P297 M320 V321R236-T300 PolarHBondContact NH1-OG1 3.43Å; R236-T300 PolarHBondContact NH2-OG1 2.04Å; P297-T300 HydrophobicContact CB-CG2 3.52Å; T300-M320 HydrophobicContact CG2-CG 4.01Å; T300-M320 HydrophobicContact CG2-SD 3.84Å; T300-V321 CarbonylContact C-O 3.47Å; T300-V321 WeakPolarHBondContact CA-O 3.03Å
301K93.9Very high88.6Confident150 Ų15066.8 Ų66.865%0.65237%0.372SS*.EExtended strand (participates in β ladder)trans-116.6157.3171.1-64.3-173178.8-172.50109.7M320 V321K301-M320 CarbonylContact O-C 3.55Å; K301-M320 WeakPolarHBondContact O-CA 3.48Å; K301-V321 PolarHBondContact N-O 3.47Å; K301-V321 PolarHBondContact O-N 3.07Å
302T95Very high88.9Confident59 Ų5966.1 Ų66.136%0.36238%0.384SS..EExtended strand (participates in β ladder)trans-111125.7173.4-570000108.8R236 P318 V319R236-T302 HydrophobicContact CB-CG2 4.42Å; R236-T302 WeakPolarHBondContact CD-OG1 3.36Å; R236-T302 PolarHBondContact NH1-OG1 2.96Å; T302-P318 HydrophobicContact CG2-CB 3.54Å; T302-V319 WeakPolarHBondContact CA-O 3.14Å
303I95.6Very high89.8Confident59 Ų5968.6 Ų68.630%0.30338%0.375SS..EExtended strand (participates in β ladder)trans-114.9151174.365.4171.3000109.8Y281 V305 P318 V319 V321Y281-I303 HydrophobicContact CD1-CD1 4.11Å; Y281-I303 HydrophobicContact CE1-CD1 3.86Å; I303-V305 HydrophobicContact CD1-CG2 3.82Å; I303-V305 HydrophobicContact CG1-CG2 3.86Å; I303-P318 CarbonylContact O-C 3.6Å; I303-P318 WeakPolarHBondContact O-CA 3.02Å; I303-V319 HydrophobicContact CG1-CB 4.41Å; I303-V319 PolarHBondContact N-O 2.97Å; I303-V319 PolarHBondContact O-N 3.24Å; I303-V321 HydrophobicContact CB-CG2 4.35Å; I303-V321 HydrophobicContact CD1-CG2 3.56Å; I303-V321 HydrophobicContact CG1-CG2 3.65Å; I303-V321 HydrophobicContact CG2-CG2 3.83Å
304Q96.6Very high90.4Very high127 Ų12768 Ų6859%0.59338%0.382SS*.EExtended strand (participates in β ladder)trans-85.8124.6170.8-64.7-66.1-10.300109
305V95.8Very high91Very high0 Ų068.5 Ų68.50%038%0.382CS..EExtended strand (participates in β ladder)trans-115.3132.2178.4177.70000109.4L270 Y281 I303 F307 K316 K317 V319L270-V305 HydrophobicContact CD1-CG1 4.44Å; L270-V305 HydrophobicContact CD1-CG2 4.34Å; Y281-V305 HydrophobicContact CE1-CG2 4.29Å; Y281-V305 HydrophobicContact CE2-CG1 3.81Å; Y281-V305 HydrophobicContact CE2-CG2 4.39Å; I303-V305 HydrophobicContact CD1-CG2 3.82Å; I303-V305 HydrophobicContact CG1-CG2 3.86Å; V305-F307 HydrophobicContact CB-CD2 4.28Å; V305-F307 HydrophobicContact CB-CE2 3.62Å; V305-F307 HydrophobicContact CB-CZ 4.16Å; V305-F307 HydrophobicContact CG1-CD2 3.92Å; V305-F307 HydrophobicContact CG1-CE1 4.36Å; V305-F307 HydrophobicContact CG1-CE2 3.45Å; V305-F307 VanDerWaalsContact CG1-CE2 3.45Å; V305-F307 HydrophobicContact CG1-CZ 3.69Å; V305-F307 WeakPolarHBondContact O-CD2 3.39Å; V305-K316 WeakPolarHBondContact O-CA 3.37Å; V305-K317 PolarHBondContact N-O 3.09Å; V305-K317 PolarHBondContact O-N 3.11Å; V305-V319 HydrophobicContact CB-CG2 3.73Å; V305-V319 HydrophobicContact CG2-CB 3.84Å; V305-V319 HydrophobicContact CG2-CG2 3.53Å
306E96.5Very high91.5Very high64 Ų6474.5 Ų74.530%0.29941%0.407SS..EExtended strand (participates in β ladder)trans-87.6126172.5-73.8171.2-163.100110.2S277 L278 T314 I315 K316S277-E306 WeakPolarHBondContact CA-O 3.41Å; L278-E306 HydrophobicContact CD1-CB 3.81Å; L278-E306 HydrophobicContact CG-CB 4.35Å; L278-E306 PolarHBondContact N-O 2.81Å; E306-T314 HydrophobicContact CB-CG2 4.27Å; E306-I315 WeakPolarHBondContact CA-O 3.04Å; E306-K316 HydrophobicContact CG-CD 4.15Å; E306-K316 HydrophobicContact CG-CG 3.65Å; E306-K316 WeakPolarHBondContact OE1-CE 3.11Å; E306-K316 IonicContact OE1-NZ 3.07Å; E306-K316 PolarHBondContact OE1-NZ 3.49Å
307F96Very high91.9Very high0 Ų076.6 Ų76.60%041%0.413CS..EExtended strand (participates in β ladder)trans-117.3133.9177.9-65.7-98.3000110.2L237 L270 F272 C275 T276 V305 T314 I315 K317 V319L237-F307 HydrophobicContact CD1-CE2 4.15Å; L237-F307 HydrophobicContact CD1-CZ 4.13Å; L270-F307 HydrophobicContact CB-CE1 3.87Å; L270-F307 HydrophobicContact CB-CZ 4.14Å; L270-F307 WeakPolarHBondContact O-CE1 3.23Å; F272-F307 HydrophobicContact CB-CD1 4.27Å; F272-F307 HydrophobicContact CB-CE1 3.95Å; F272-F307 HydrophobicContact CB-CZ 4.35Å; C275-F307 HydrophobicContact CB-CB 3.78Å; C275-F307 HydrophobicContact CB-CD1 4.39Å; C275-F307 HydrophobicContact CB-CG 4.45Å; T276-F307 CarbonylContact O-C 3.53Å; T276-F307 WeakPolarHBondContact O-CA 3.15Å; V305-F307 HydrophobicContact CB-CD2 4.28Å; V305-F307 HydrophobicContact CB-CE2 3.62Å; V305-F307 HydrophobicContact CB-CZ 4.16Å; V305-F307 HydrophobicContact CG1-CD2 3.92Å; V305-F307 HydrophobicContact CG1-CE1 4.36Å; V305-F307 HydrophobicContact CG1-CE2 3.45Å; V305-F307 VanDerWaalsContact CG1-CE2 3.45Å; V305-F307 HydrophobicContact CG1-CZ 3.69Å; V305-F307 WeakPolarHBondContact O-CD2 3.39Å; F307-T314 CarbonylContact O-C 3.6Å; F307-T314 VanDerWaalsContact O-CA 3.25Å; F307-T314 WeakPolarHBondContact O-CA 3.29Å; F307-I315 HydrophobicContact CB-CG1 3.95Å; F307-I315 PolarHBondContact N-O 3.27Å; F307-I315 PolarHBondContact O-N 2.04Å; F307-K317 HydrophobicContact CD2-CB 4.3Å; F307-K317 HydrophobicContact CE2-CB 4.05Å; F307-V319 HydrophobicContact CE2-CG2 4.07Å; F307-V319 HydrophobicContact CZ-CG2 4.1Å
308Q95.4Very high92.2Very high112 Ų11276.2 Ų76.252%0.52341%0.411SS..EExtended strand (participates in β ladder)trans-92.1118.7169.3-170.6173.73100109C275 T276 L278C275-Q308 CarbonylContact C-O 3.55Å; C275-Q308 VanDerWaalsContact CA-O 3.25Å; C275-Q308 WeakPolarHBondContact CA-O 3.39Å; T276-Q308 PolarHBondContact N-O 2.88Å; T276-Q308 PolarHBondContact O-N 2.74Å; L278-Q308 HydrophobicContact CD2-CB 3.73Å; L278-Q308 HydrophobicContact CD2-CG 4.46Å
309C93.2Very high92.7Very high12 Ų1270.9 Ų70.98%0.08139%0.387CS..EExtended strand (participates in β ladder)trans-104147.4179.5-55.20000110.5N274 C275 P311 G312 Q313N274-C309 WeakPolarHBondContact O-CA 3Å; C275-C309 HydrophobicContact CB-CB 3.91Å; C275-C309 WeakPolarHBondContact CB-SG 3.21Å; C275-C309 WeakPolarHBondContact SG-CB 3.39Å; C275-C309 CovalentContact SG-SG 2.02Å; C275-C309 PolarHBondContact SG-SG 3.05Å; C309-P311 CarbonylContact O-C 3.55Å; C309-G312 PolarHBondContact O-N 2.72Å; C309-Q313 HydrophobicContact CB-CB 4.46Å; C309-Q313 WeakPolarHBondContact CB-O 3.33Å; C309-Q313 PolarHBondContact N-O 3.17Å; C309-Q313 PolarHBondContact O-N 3.47Å; C309-Q313 VanDerWaalsContact O-N 3.14Å
310S88.1Confident93.1Very high101 Ų10167.7 Ų67.771%0.70637%0.369SS*.THydrogen-bonded Turntrans-84.2127.9169.4-61.40000110.7N274N274-S310 PolarHBondContact O-N 2.93Å
311P80.3Confident93.1Very high130 Ų13068.1 Ų68.184%0.84437%0.372SS*.THydrogen-bonded Turncis-92.8112.41.633.8-28.7000113.3C309 Q313C309-P311 CarbonylContact O-C 3.55Å; P311-Q313 VanDerWaalsContact C-N 3.27Å; P311-Q313 PolarHBondContact O-N 2.89Å
312G79.1Confident93.1Very high66 Ų6661.1 Ų61.168%0.6834%0.342SS*.THydrogen-bonded Turntrans67.1-2.5163.800000119.2C309C309-G312 PolarHBondContact O-N 2.72Å
313Q90.2Very high92.8Very high128 Ų12859.6 Ų59.660%0.59834%0.337SS*.EExtended strand (participates in β ladder)trans-81.5132.4-176.7-171.2178.342.600111.7C309 P311 I315C309-Q313 HydrophobicContact CB-CB 4.46Å; C309-Q313 WeakPolarHBondContact CB-O 3.33Å; C309-Q313 PolarHBondContact N-O 3.17Å; C309-Q313 PolarHBondContact O-N 3.47Å; C309-Q313 VanDerWaalsContact O-N 3.14Å; P311-Q313 VanDerWaalsContact C-N 3.27Å; P311-Q313 PolarHBondContact O-N 2.89Å; Q313-I315 HydrophobicContact CG-CG2 4.09Å
314T92.9Very high92.3Very high75 Ų7559.9 Ų59.946%0.4634%0.342SS..EExtended strand (participates in β ladder)trans-100.8124.5170.4-58.30000110.5L278 E306 F307L278-T314 HydrophobicContact CD1-CG2 4.1Å; E306-T314 HydrophobicContact CB-CG2 4.27Å; F307-T314 CarbonylContact O-C 3.6Å; F307-T314 VanDerWaalsContact O-CA 3.25Å; F307-T314 WeakPolarHBondContact O-CA 3.29Å
315I93.5Very high91.9Very high35 Ų3554.9 Ų54.918%0.17932%0.321CS..EExtended strand (participates in β ladder)trans-117.3144.3177.965.8175.1000111.2F272 E306 F307 Q313 K317F272-I315 HydrophobicContact CD1-CD1 4.46Å; F272-I315 HydrophobicContact CE1-CD1 4.49Å; E306-I315 WeakPolarHBondContact CA-O 3.04Å; F307-I315 HydrophobicContact CB-CG1 3.95Å; F307-I315 PolarHBondContact N-O 3.27Å; F307-I315 PolarHBondContact O-N 2.04Å; Q313-I315 HydrophobicContact CG-CG2 4.09Å; I315-K317 HydrophobicContact CD1-CG 4.14Å; I315-K317 HydrophobicContact CG1-CG 4.42Å
316K95.3Very high91.4Very high134 Ų13456.8 Ų56.858%0.58333%0.332SS*.EExtended strand (participates in β ladder)trans-98.4127.6171.1-66.7-173.8-168.5-147.70109.7V305 E306V305-K316 WeakPolarHBondContact O-CA 3.37Å; E306-K316 HydrophobicContact CG-CD 4.15Å; E306-K316 HydrophobicContact CG-CG 3.65Å; E306-K316 WeakPolarHBondContact OE1-CE 3.11Å; E306-K316 IonicContact OE1-NZ 3.07Å; E306-K316 PolarHBondContact OE1-NZ 3.49Å
317K95Very high90.8Very high77 Ų7754.1 Ų54.134%0.33532%0.321SS..EExtended strand (participates in β ladder)trans-131.9139.7175.7-66.5-64.9177.6-165.50111.6L237 V305 F307 I315L237-K317 HydrophobicContact CD1-CB 3.78Å; L237-K317 HydrophobicContact CD1-CG 4.31Å; V305-K317 PolarHBondContact N-O 3.09Å; V305-K317 PolarHBondContact O-N 3.11Å; F307-K317 HydrophobicContact CD2-CB 4.3Å; F307-K317 HydrophobicContact CE2-CB 4.05Å; I315-K317 HydrophobicContact CD1-CG 4.14Å; I315-K317 HydrophobicContact CG1-CG 4.42Å
318P96.9Very high90.1Very high31 Ų3156.3 Ų56.320%0.20133%0.331CS..EExtended strand (participates in β ladder)trans-71.8128.3172.226.6-30.9000110.1T235 R236 L237 T302 I303T235-P318 WeakPolarHBondContact O-CG 3.45Å; R236-P318 WeakPolarHBondContact CA-O 3.3Å; R236-P318 HydrophobicContact CB-CB 4.06Å; R236-P318 HydrophobicContact CB-CG 4.19Å; L237-P318 PolarHBondContact N-O 2.68Å; T302-P318 HydrophobicContact CG2-CB 3.54Å; I303-P318 CarbonylContact O-C 3.6Å; I303-P318 WeakPolarHBondContact O-CA 3.02Å
319V96.4Very high89.4Confident8 Ų855.8 Ų55.85%0.04834%0.34CS..EExtended strand (participates in β ladder)trans-123.8136.2-179.2-175.60000110.3L237 L270 T302 I303 V305 F307L237-V319 HydrophobicContact CB-CB 4.47Å; L237-V319 HydrophobicContact CB-CG1 4.47Å; L237-V319 HydrophobicContact CB-CG2 4.04Å; L237-V319 HydrophobicContact CD1-CG2 4.1Å; L237-V319 CarbonylContact O-C 3.52Å; L237-V319 WeakPolarHBondContact O-CA 3.06Å; L270-V319 HydrophobicContact CD1-CG1 4.09Å; T302-V319 WeakPolarHBondContact CA-O 3.14Å; I303-V319 HydrophobicContact CG1-CB 4.41Å; I303-V319 PolarHBondContact N-O 2.97Å; I303-V319 PolarHBondContact O-N 3.24Å; V305-V319 HydrophobicContact CB-CG2 3.73Å; V305-V319 HydrophobicContact CG2-CB 3.84Å; V305-V319 HydrophobicContact CG2-CG2 3.53Å; F307-V319 HydrophobicContact CE2-CG2 4.07Å; F307-V319 HydrophobicContact CZ-CG2 4.1Å
320M96.2Very high88.7Confident17 Ų1760.5 Ų60.58%0.08436%0.364CS..EExtended strand (participates in β ladder)trans-74.1126.7175.2-176-179.477.800111.4R236 L237 C238 P297 T300 K301 I322R236-M320 PolarHBondContact NH2-SD 2.05Å; L237-M320 WeakPolarHBondContact O-CB 3Å; L237-M320 PolarHBondContact O-N 3.43Å; C238-M320 HydrophobicContact CB-CB 4.09Å; C238-M320 HydrophobicContact CB-CE 3.54Å; C238-M320 HydrophobicContact CB-SD 3.92Å; P297-M320 HydrophobicContact CB-CE 4.44Å; P297-M320 HydrophobicContact CG-CE 3.96Å; T300-M320 HydrophobicContact CG2-CG 4.01Å; T300-M320 HydrophobicContact CG2-SD 3.84Å; K301-M320 CarbonylContact O-C 3.55Å; K301-M320 WeakPolarHBondContact O-CA 3.48Å; M320-I322 HydrophobicContact CE-CD1 4.04Å; M320-I322 HydrophobicContact CE-CG1 3.85Å
321V94.3Very high88.1Confident46 Ų4658.1 Ų58.128%0.27935%0.347SS..EExtended strand (participates in β ladder)trans-106.9119.7169.6-179.20000108.6T300 K301 I303T300-V321 CarbonylContact C-O 3.47Å; T300-V321 WeakPolarHBondContact CA-O 3.03Å; K301-V321 PolarHBondContact N-O 3.47Å; K301-V321 PolarHBondContact O-N 3.07Å; I303-V321 HydrophobicContact CB-CG2 4.35Å; I303-V321 HydrophobicContact CD1-CG2 3.56Å; I303-V321 HydrophobicContact CG1-CG2 3.65Å; I303-V321 HydrophobicContact CG2-CG2 3.83Å
322I92Very high87.4Confident3 Ų355.9 Ų55.92%0.01533%0.332CS..EExtended strand (participates in β ladder)trans-77.7126.5178-58.3175.3000109.1T261 R284 P297 M320T261-I322 HydrophobicContact CG2-CG2 4.45Å; R284-I322 HydrophobicContact CB-CB 4.26Å; R284-I322 WeakPolarHBondContact CB-O 3.44Å; R284-I322 WeakPolarHBondContact CD-O 3.06Å; P297-I322 HydrophobicContact CB-CD1 4.4Å; P297-I322 HydrophobicContact CB-CG1 4.27Å; P297-I322 HydrophobicContact CG-CD1 3.98Å; P297-I322 HydrophobicContact CG-CG1 4.33Å; M320-I322 HydrophobicContact CE-CD1 4.04Å; M320-I322 HydrophobicContact CE-CG1 3.85Å
323G88.6Confident86.5Confident26 Ų2661.1 Ų61.127%0.26834%0.339SS..  trans-89.7-58.216900000110.9R284 N299R284-G323 WeakPolarHBondContact CD-O 3.39Å; N299-G323 WeakPolarHBondContact O-CA 3.39Å; N299-G323 PolarHBondContact O-N 2.74Å
324T86.1Confident84.5Confident65 Ų6561 Ų6140%0.39934%0.343SS..  trans-137.5158.7-179.560.50000111.6H298 N299H298-T324 PolarHBondContact N-O 3.04Å; N299-T324 VanDerWaalsContact CB-OG1 3.3Å; N299-T324 WeakPolarHBondContact CB-OG1 3.48Å; N299-T324 PolarHBondContact N-O 2.86Å; N299-T324 PolarHBondContact N-OG1 3.41Å; N299-T324 PolarHBondContact O-N 2.86Å
325C87.4Confident82Confident23 Ų2363.6 Ų63.616%0.15535%0.354CS..EExtended strand (participates in β ladder)trans-123.7154.4174.7-51.80000109.9T261 C286 T296T261-C325 HydrophobicContact CG2-CB 4.27Å; T261-C325 VanDerWaalsContact CG2-SG 3.5Å; C286-C325 WeakPolarHBondContact CA-SG 3.36Å; C286-C325 HydrophobicContact CB-CB 3.84Å; C286-C325 WeakPolarHBondContact CB-SG 3.49Å; C286-C325 WeakPolarHBondContact SG-CB 3.39Å; C286-C325 CovalentContact SG-SG 2.04Å; C286-C325 PolarHBondContact SG-SG 3.4Å; T296-C325 CarbonylContact O-C 3.56Å; T296-C325 WeakPolarHBondContact O-CA 3.44Å; T296-C325 WeakPolarHBondContact O-CB 3.32Å
326T85.9Confident79.5Confident39 Ų3969.4 Ų69.424%0.23938%0.38CS..EExtended strand (participates in β ladder)trans-132.3148.5177.6-166.30000111.5C295 T296 H298C295-T326 VanDerWaalsContact CA-O 3.29Å; C295-T326 WeakPolarHBondContact CA-O 3.41Å; T296-T326 PolarHBondContact N-O 2.88Å; T296-T326 PolarHBondContact O-N 3.12Å; H298-T326 HydrophobicContact CB-CG2 4.05Å
327C84.2Confident76.6Confident9 Ų967.4 Ų67.46%0.06139%0.389CS..EExtended strand (participates in β ladder)trans-92.5130.7174-72.30000110.6C258 C289 R293 C294C258-C327 HydrophobicContact CB-CB 4.33Å; C258-C327 WeakPolarHBondContact CB-SG 3.39Å; C258-C327 PolarHBondContact SG-SG 3.14Å; C289-C327 HydrophobicContact CB-CB 4.15Å; C289-C327 WeakPolarHBondContact CB-SG 3.48Å; C289-C327 WeakPolarHBondContact SG-CB 3.21Å; C289-C327 CovalentContact SG-SG 2.01Å; C289-C327 PolarHBondContact SG-SG 2.87Å; R293-C327 HydrophobicContact CB-CB 4.07Å; R293-C327 PolarHBondContact NH1-O 3.41Å; C294-C327 VanDerWaalsContact O-CA 3.31Å; C294-C327 WeakPolarHBondContact O-CA 3.48Å
328H81Confident73.6Confident45 Ų4571.4 Ų71.421%0.20841%0.406CS..EExtended strand (participates in β ladder)trans-141160.9173.559.690.6000111R293 C294 T296 N330R293-H328 WeakPolarHBondContact CB-O 3.34Å; C294-H328 PolarHBondContact N-O 2.96Å; C294-H328 VanDerWaalsContact N-O 3.16Å; C294-H328 PolarHBondContact O-N 3.38Å; C294-H328 PolarHBondContact SG-CE1 3.44Å; C294-H328 PolarHBondContact SG-O 2.98Å; T296-H328 WeakPolarHBondContact CG2-NE2 3.4Å; T296-H328 PolarHBondContact OG1-CD2 3.46Å; T296-H328 VanDerWaalsContact OG1-CD2 3.24Å; T296-H328 PolarHBondContact OG1-NE2 2.92Å; H328-N330 PolarHBondContact CE1-O 2.9Å; H328-N330 PolarHBondContact ND1-O 3.42Å
329S81.4Confident70.7Confident101 Ų10176.6 Ų76.671%0.70643%0.431SS*.SBendtrans-86.3-21-178.7-50.10000113C331S329-C331 VanDerWaalsContact C-N 3.35Å; S329-C331 PolarHBondContact O-N 3.41Å
330N77.6Confident67.8Low111 Ų11184.8 Ų84.859%0.59447%0.469SS*.  trans-81.177.5-179.7-173.114.2000111.4H328H328-N330 PolarHBondContact CE1-O 2.9Å; H328-N330 PolarHBondContact ND1-O 3.42Å
331C75.6Confident64.9Low52 Ų5292.3 Ų92.335%0.35150%0.504SS..PPolyproline II helixtrans-78.8137.5-174.8-59.10000112C294 S329 Q333C294-C331 HydrophobicContact CB-CB 3.9Å; C294-C331 WeakPolarHBondContact CB-SG 3.45Å; C294-C331 PolarHBondContact N-SG 3.08Å; C294-C331 VanDerWaalsContact N-SG 3.4Å; C294-C331 WeakPolarHBondContact SG-CA 3.45Å; C294-C331 WeakPolarHBondContact SG-CB 3.45Å; C294-C331 CovalentContact SG-SG 2.05Å; C294-C331 PolarHBondContact SG-SG 2.92Å; S329-C331 VanDerWaalsContact C-N 3.35Å; S329-C331 PolarHBondContact O-N 3.41Å; C331-Q333 PolarHBondContact O-N 3.02Å; C331-Q333 VanDerWaalsContact O-N 3.1Å
332P66.3Low62.3Low82 Ų8297.1 Ų97.153%0.53253%0.528SS..PPolyproline II helixtrans-58120.5178.622-30.5000109N334P332-N334 PolarHBondContact O-N 3.29Å
333Q58.8Low59.3Low176 Ų176105.3 Ų105.382%0.82257%0.566SS**PPolyproline II helixtrans-60133.4174.8-67.2-163.5-7.900108.7C331 N335C331-Q333 PolarHBondContact O-N 3.02Å; C331-Q333 VanDerWaalsContact O-N 3.1Å; Q333-N335 PolarHBondContact O-N 3.42Å
334N48.1Very low56.8Low127 Ų127109.9 Ų109.968%0.67959%0.591SS**  trans-68.199.9-176.9-145.525.8000108.1P332 E336P332-N334 PolarHBondContact O-N 3.29Å; N334-E336 PolarHBondContact O-N 3.27Å
335N41.6Very low54.2Low128 Ų128116.8 Ų116.868%0.68462%0.615SS**  trans-72.858.5175.7-86.8-3.9000111.2Q333Q333-N335 PolarHBondContact O-N 3.42Å
336E39.9Very low51.6Low158 Ų158121 Ų12174%0.73865%0.645SS**  trans-78.7-6.3165.6-69-157.4161.100112.3N334N334-E336 PolarHBondContact O-N 3.27Å
337A35.2Very low49.3Very low92 Ų92124.7 Ų124.776%0.7667%0.672SS**SBendtrans-87.6-9.6-178.700000115.7
338F31.9Very low47Very low160 Ų160134.5 Ų134.570%0.70271%0.708SS**SBendtrans-106.5-0.8-170.7-157-99.1000115.1
339L36.4Very low45Very low140 Ų140135.7 Ų135.773%0.73373%0.732SS**SBendtrans-102.93-178.6-73.3172.8000114.5
340Q34.4Very low42.7Very low180 Ų180138.6 Ų138.684%0.84174%0.735SS**SBendtrans-85.6-5.3176.3-101.3171.9-8.600114.6
341E35.8Very low40.8Very low175 Ų175145.9 Ų145.982%0.81877%0.768SS**SBendtrans-103.610.6-172.8-145159.9-177.800114.6
342L39.5Very low39Very low147 Ų147150.6 Ų150.677%0.7779%0.789SS**  trans-125.218.1180-74.1171.5000115P344L342-P344 WeakPolarHBondContact O-CD 3.44Å
343E29.7Very low37.6Very low175 Ų175154.2 Ų154.282%0.81880%0.803SS**  trans-89.3113.8163.8-68-158.9151.600110.1K345E343-K345 PolarHBondContact O-N 3.28Å
344P35Very low36.4Very low122 Ų122152.9 Ų152.979%0.79280%0.801SS**  trans-65.6127.5171.2-8.624.1000108.3L342 S346L342-P344 WeakPolarHBondContact O-CD 3.44Å; P344-S346 VanDerWaalsContact C-N 3.35Å; P344-S346 PolarHBondContact O-N 3.06Å
345K32.3Very low35.7Very low210 Ų210154.5 Ų154.591%0.91381%0.809SS**  trans-58.199.2167-77.5-178.6177.1176.80108.7E343 S347E343-K345 PolarHBondContact O-N 3.28Å; K345-S347 PolarHBondContact O-N 3.4Å; K345-S347 VanDerWaalsContact O-N 3.08Å
346S33.7Very low35.3Very low112 Ų112156.1 Ų156.178%0.78382%0.816SS**  trans-65.2103.7163.2178.70000107.4P344 R348P344-S346 VanDerWaalsContact C-N 3.35Å; P344-S346 PolarHBondContact O-N 3.06Å; S346-R348 PolarHBondContact O-N 3.42Å
347S36.3Very low35Very low116 Ų116156 Ų15681%0.81182%0.822SS**  trans-60.7104.5167.754.50000108.6K345 G349K345-S347 PolarHBondContact O-N 3.4Å; K345-S347 VanDerWaalsContact O-N 3.08Å; S347-G349 PolarHBondContact O-N 3.48Å
348R36.6Very low35Very low216 Ų216160.6 Ų160.682%0.81583%0.826SS**  trans-80.8107.7164.4-150.6176.7-154.6166.53.4106.5S346S346-R348 PolarHBondContact O-N 3.42Å
349G37.8Very low35.3Very low69 Ų69160.6 Ų160.671%0.71184%0.836SS**  trans-68.7140.1158.300000108.6S347S347-G349 PolarHBondContact O-N 3.48Å
350E33.8Very low35.2Very low162 Ų162162.3 Ų162.376%0.75784%0.844SS**  trans-152.9122.2159.8-112.9167.9177.100108.1
351M37Very low35.2Very low264 Ų264160.7 Ų160.7100%1.384%0.844SS**  trans44.10156.6-115.477.1170.200120.6

Retrieved 351 of 351 residues in 52.5 ms (Link to these results)