A0A2K5LUJ0_CERAT Loading...

Zinc finger TRAF-type containing 1

AlphaFold DB , UniProt , Accession A0A2K5LUJ0, Species CERAT (Cercocebus atys, Sooty mangabey), Gene ZFTRAF1, Length 362 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
1M39.9Very low46.2Very low247 Ų247112.4 Ų112.4100%1.21764%0.638SS**  0113.20-81.917016800107.1
2A36.1Very low47.6Very low94 Ų94106.4 Ų106.478%0.77761%0.613SS**PPolyproline II helixtrans-73.3142.6176.800000110.1
3P40.1Very low49.1Very low90 Ų90106.4 Ų106.458%0.58461%0.608SS**PPolyproline II helixtrans-66.5138.6176.627.8-31.1000109.7
4K41.5Very low49.9Very low181 Ų181103.6 Ų103.679%0.78760%0.598SS**PPolyproline II helixtrans-68.2127.3178.1-82179.5174.2175.10109.2G6 A7K4-G6 PolarHBondContact O-N 3.36Å; K4-A7 PolarHBondContact O-N 2.87Å
5P44.4Very low50.5Low103 Ų103100.5 Ų100.567%0.66958%0.576SS**THydrogen-bonded Turntrans-65.5-5.3-175.423.9-33000114.9
6G46.6Very low51.7Low54 Ų54100.3 Ų100.356%0.55757%0.572SS**Hα-helixtrans-83-18.4178.700000115.5K4K4-G6 PolarHBondContact O-N 3.36Å
7A46.4Very low52.5Low53 Ų5399.6 Ų99.644%0.43857%0.57SS.*Hα-helixtrans-78.5-42.7-174.600000112.7K4 W9 S10 T11K4-A7 PolarHBondContact O-N 2.87Å; A7-W9 VanDerWaalsContact C-N 3.28Å; A7-W9 PolarHBondContact O-N 3.43Å; A7-S10 WeakPolarHBondContact O-CB 3.49Å; A7-S10 PolarHBondContact O-N 2.94Å; A7-S10 VanDerWaalsContact O-N 3.16Å; A7-T11 PolarHBondContact O-N 3.46Å; A7-T11 PolarHBondContact O-OG1 2.86Å
8E50.5Low53Low113 Ų11399.2 Ų99.253%0.52857%0.565SS.*Hα-helixtrans-62.8-34.6179.6-66.6177.9161.800112.5S10 A12E8-S10 VanDerWaalsContact C-N 3.34Å; E8-A12 VanDerWaalsContact O-CB 3.31Å; E8-A12 WeakPolarHBondContact O-CB 3.46Å; E8-A12 PolarHBondContact O-N 3.02Å
9W52.5Low53.6Low190 Ų19094.6 Ų94.672%0.7254%0.542SS*.Hα-helixtrans-68.9-34.4177.6-72.365.9000111.8A7 L13A7-W9 VanDerWaalsContact C-N 3.28Å; A7-W9 PolarHBondContact O-N 3.43Å; W9-L13 VanDerWaalsContact O-CB 3.24Å; W9-L13 WeakPolarHBondContact O-CB 3.34Å; W9-L13 WeakPolarHBondContact O-CD1 3.43Å; W9-L13 WeakPolarHBondContact O-CG 3.42Å; W9-L13 PolarHBondContact O-N 2.58Å
10S55.7Low54.4Low68 Ų6894.3 Ų94.348%0.47654%0.541SS..Hα-helixtrans-70.1-39.5177.8-172.50000112.3A7 E8 S14A7-S10 WeakPolarHBondContact O-CB 3.49Å; A7-S10 PolarHBondContact O-N 2.94Å; A7-S10 VanDerWaalsContact O-N 3.16Å; E8-S10 VanDerWaalsContact C-N 3.34Å; S10-S14 WeakPolarHBondContact O-CB 3.41Å; S10-S14 PolarHBondContact O-N 3.15Å; S10-S14 PolarHBondContact O-OG 2.91Å
11T54.8Low54.8Low43 Ų4394 Ų9426%0.26454%0.541SS..Hα-helixtrans-71-44.2177-2.70000111.1A7 L13 S14 H15 C61A7-T11 PolarHBondContact O-N 3.46Å; A7-T11 PolarHBondContact O-OG1 2.86Å; T11-L13 VanDerWaalsContact C-N 3.34Å; T11-L13 PolarHBondContact O-N 3.2Å; T11-S14 PolarHBondContact O-N 3.12Å; T11-S14 VanDerWaalsContact O-N 3.13Å; T11-H15 PolarHBondContact O-CD2 3.45Å; T11-H15 PolarHBondContact O-N 2.82Å; T11-C61 HydrophobicContact CG2-CB 4.36Å; T11-C61 WeakPolarHBondContact CG2-SG 3.38Å; T11-C61 PolarHBondContact OG1-SG 3.35Å
12A62.4Low55.7Low41 Ų4182.4 Ų82.434%0.33949%0.485SS..Hα-helixtrans-58.6-46.6174.300000111E8 S14 H15 L16 L51E8-A12 VanDerWaalsContact O-CB 3.31Å; E8-A12 WeakPolarHBondContact O-CB 3.46Å; E8-A12 PolarHBondContact O-N 3.02Å; A12-S14 VanDerWaalsContact C-N 3.32Å; A12-S14 PolarHBondContact O-N 2.89Å; A12-H15 PolarHBondContact O-N 3.37Å; A12-L16 WeakPolarHBondContact O-CB 3.34Å; A12-L16 PolarHBondContact O-N 2.85Å; A12-L51 HydrophobicContact CB-CD2 4.11Å
13L67.9Low57.3Low106 Ų10682 Ų8256%0.55547%0.469SS*.Hα-helixtrans-58.9-41.1174-87.3159.9000112.4W9 T11 L16 V17W9-L13 VanDerWaalsContact O-CB 3.24Å; W9-L13 WeakPolarHBondContact O-CB 3.34Å; W9-L13 WeakPolarHBondContact O-CD1 3.43Å; W9-L13 WeakPolarHBondContact O-CG 3.42Å; W9-L13 PolarHBondContact O-N 2.58Å; T11-L13 VanDerWaalsContact C-N 3.34Å; T11-L13 PolarHBondContact O-N 3.2Å; L13-L16 PolarHBondContact O-N 2.6Å; L13-V17 WeakPolarHBondContact O-CB 3.26Å; L13-V17 VanDerWaalsContact O-CG2 3.24Å; L13-V17 WeakPolarHBondContact O-CG2 3.31Å; L13-V17 PolarHBondContact O-N 2.87Å
14S59.7Low58.7Low67 Ų6784.3 Ų84.347%0.46947%0.472SS..Hα-helixtrans-66.3-41.8179.7-59.40000112.3S10 T11 A12 L16 V17 L18S10-S14 WeakPolarHBondContact O-CB 3.41Å; S10-S14 PolarHBondContact O-N 3.15Å; S10-S14 PolarHBondContact O-OG 2.91Å; T11-S14 PolarHBondContact O-N 3.12Å; T11-S14 VanDerWaalsContact O-N 3.13Å; A12-S14 VanDerWaalsContact C-N 3.32Å; A12-S14 PolarHBondContact O-N 2.89Å; S14-L16 VanDerWaalsContact C-N 3.34Å; S14-V17 PolarHBondContact O-N 2.97Å; S14-L18 VanDerWaalsContact O-CB 3.29Å; S14-L18 WeakPolarHBondContact O-CB 3.33Å; S14-L18 PolarHBondContact O-N 3.35Å
15H59.6Low59.5Low58 Ų5876.7 Ų76.727%0.26944%0.442SS..Hα-helixtrans-68.6-33.7174.5-71.5-61000112.3T11 A12 L18 G19 L51T11-H15 PolarHBondContact O-CD2 3.45Å; T11-H15 PolarHBondContact O-N 2.82Å; A12-H15 PolarHBondContact O-N 3.37Å; H15-L18 PolarHBondContact O-N 3.13Å; H15-G19 PolarHBondContact O-N 3.41Å; H15-L51 HydrophobicContact CB-CD1 4.31Å; H15-L51 HydrophobicContact CB-CD2 4.13Å; H15-L51 HydrophobicContact CB-CG 4.01Å
16L69.1Low60.6Low97 Ų9772 Ų7251%0.50841%0.412SS..Hα-helixtrans-68.1-44.6175.3-141160.6000110.8A12 L13 S14 G19 V20 L51A12-L16 WeakPolarHBondContact O-CB 3.34Å; A12-L16 PolarHBondContact O-N 2.85Å; L13-L16 PolarHBondContact O-N 2.6Å; S14-L16 VanDerWaalsContact C-N 3.34Å; L16-G19 PolarHBondContact O-N 2.89Å; L16-V20 HydrophobicContact CD2-CG2 4.09Å; L16-V20 VanDerWaalsContact O-CG2 3.28Å; L16-V20 WeakPolarHBondContact O-CG2 3.3Å; L16-V20 PolarHBondContact O-N 2.76Å; L16-L51 HydrophobicContact CB-CD1 4.47Å; L16-L51 HydrophobicContact CG-CD1 4.42Å
17V65.9Low61.9Low89 Ų8974.2 Ų74.254%0.53942%0.415SS..Hα-helixtrans-62.4-45.1173.71710000110.9L13 S14 G19 V20 V21L13-V17 WeakPolarHBondContact O-CB 3.26Å; L13-V17 VanDerWaalsContact O-CG2 3.24Å; L13-V17 WeakPolarHBondContact O-CG2 3.31Å; L13-V17 PolarHBondContact O-N 2.87Å; S14-V17 PolarHBondContact O-N 2.97Å; V17-G19 VanDerWaalsContact C-N 3.32Å; V17-G19 PolarHBondContact O-N 3Å; V17-V20 PolarHBondContact O-N 2.93Å; V17-V21 HydrophobicContact CG1-CG2 4.24Å; V17-V21 WeakPolarHBondContact O-CB 3.47Å; V17-V21 VanDerWaalsContact O-CG2 3.29Å; V17-V21 WeakPolarHBondContact O-CG2 3.5Å; V17-V21 PolarHBondContact O-N 2.78Å
18L61.3Low62.9Low91 Ų9175 Ų7548%0.47642%0.417SS..Hα-helixtrans-60.3-42.8176.4-176.366.8000111.4S14 H15 S22S14-L18 VanDerWaalsContact O-CB 3.29Å; S14-L18 WeakPolarHBondContact O-CB 3.33Å; S14-L18 PolarHBondContact O-N 3.35Å; H15-L18 PolarHBondContact O-N 3.13Å; L18-S22 WeakPolarHBondContact O-CB 3.47Å; L18-S22 PolarHBondContact O-N 3.35Å; L18-S22 PolarHBondContact O-OG 3.27Å
19G64.1Low63.4Low12 Ų1270.8 Ų70.812%0.12440%0.399CS..Hα-helixtrans-62.6-45.1175.500000112.5H15 L16 V17 S22 L23H15-G19 PolarHBondContact O-N 3.41Å; L16-G19 PolarHBondContact O-N 2.89Å; V17-G19 VanDerWaalsContact C-N 3.32Å; V17-G19 PolarHBondContact O-N 3Å; G19-S22 PolarHBondContact O-N 3.15Å; G19-L23 VanDerWaalsContact O-CB 3.27Å; G19-L23 WeakPolarHBondContact O-CB 3.39Å; G19-L23 PolarHBondContact O-N 2.83Å
20V70.3Confident64.1Low88 Ų8864 Ų6453%0.53338%0.383SS..Hα-helixtrans-65.5-45.1178.8170.70000111.6L16 V17 L23 H24L16-V20 HydrophobicContact CD2-CG2 4.09Å; L16-V20 VanDerWaalsContact O-CG2 3.28Å; L16-V20 WeakPolarHBondContact O-CG2 3.3Å; L16-V20 PolarHBondContact O-N 2.76Å; V17-V20 PolarHBondContact O-N 2.93Å; V20-L23 PolarHBondContact O-N 3.48Å; V20-H24 WeakPolarHBondContact O-CB 3.46Å; V20-H24 PolarHBondContact O-N 3.46Å
21V62.7Low64.1Low88 Ų8869.9 Ų69.953%0.53340%0.404SS..Hα-helixtrans-65.9-41.5177.9173.40000110.9V17 L23 H24 A25V17-V21 HydrophobicContact CG1-CG2 4.24Å; V17-V21 WeakPolarHBondContact O-CB 3.47Å; V17-V21 VanDerWaalsContact O-CG2 3.29Å; V17-V21 WeakPolarHBondContact O-CG2 3.5Å; V17-V21 PolarHBondContact O-N 2.78Å; V21-L23 VanDerWaalsContact C-N 3.35Å; V21-H24 PolarHBondContact O-N 3.14Å; V21-A25 VanDerWaalsContact O-CB 3.31Å; V21-A25 WeakPolarHBondContact O-CB 3.46Å; V21-A25 PolarHBondContact O-N 2.95Å
22S57.4Low63.7Low5 Ų572.3 Ų72.34%0.03543%0.428CS..Hα-helixtrans-66.7-36.9177.3-56.90000111.6L18 G19 A25 A26 F40L18-S22 WeakPolarHBondContact O-CB 3.47Å; L18-S22 PolarHBondContact O-N 3.35Å; L18-S22 PolarHBondContact O-OG 3.27Å; G19-S22 PolarHBondContact O-N 3.15Å; S22-A25 PolarHBondContact O-N 2.76Å; S22-A26 WeakPolarHBondContact O-CB 3.38Å; S22-A26 PolarHBondContact O-N 2.97Å; S22-F40 WeakPolarHBondContact O-CB 3.5Å
23L70.4Confident63.2Low86 Ų8672.5 Ų72.545%0.4543%0.426SS..Hα-helixtrans-68.2-42.7175.7-171.565.6000111.5G19 V20 V21 A25 A26 V27 L41 V44G19-L23 VanDerWaalsContact O-CB 3.27Å; G19-L23 WeakPolarHBondContact O-CB 3.39Å; G19-L23 PolarHBondContact O-N 2.83Å; V20-L23 PolarHBondContact O-N 3.48Å; V21-L23 VanDerWaalsContact C-N 3.35Å; L23-A25 VanDerWaalsContact C-N 3.34Å; L23-A25 PolarHBondContact O-N 3.31Å; L23-A26 WeakPolarHBondContact O-CB 3.46Å; L23-A26 PolarHBondContact O-N 3.07Å; L23-V27 WeakPolarHBondContact O-CG2 3.46Å; L23-V27 PolarHBondContact O-N 2.75Å; L23-L41 HydrophobicContact CD1-CD2 4.38Å; L23-V44 HydrophobicContact CB-CG2 3.87Å; L23-V44 HydrophobicContact CD1-CG2 4.24Å
24H69.3Low62.6Low138 Ų13878 Ų7864%0.63944%0.44SS*.Hα-helixtrans-61.6-42.6173.5-178.4-84.6000111.5V20 V21 V27 S28V20-H24 WeakPolarHBondContact O-CB 3.46Å; V20-H24 PolarHBondContact O-N 3.46Å; V21-H24 PolarHBondContact O-N 3.14Å; H24-V27 PolarHBondContact O-N 3.28Å; H24-S28 WeakPolarHBondContact O-CB 3.34Å; H24-S28 PolarHBondContact O-N 3.08Å; H24-S28 PolarHBondContact O-OG 2.84Å; H24-S28 VanDerWaalsContact O-OG 3.08Å
25A58.2Low62Low20 Ų2077.4 Ų77.417%0.16544%0.444CS..Hα-helixtrans-62.5-42.3174.400000111.7V21 S22 L23 V27 S28 T29 F40V21-A25 VanDerWaalsContact O-CB 3.31Å; V21-A25 WeakPolarHBondContact O-CB 3.46Å; V21-A25 PolarHBondContact O-N 2.95Å; S22-A25 PolarHBondContact O-N 2.76Å; L23-A25 VanDerWaalsContact C-N 3.34Å; L23-A25 PolarHBondContact O-N 3.31Å; A25-V27 PolarHBondContact O-N 2.98Å; A25-S28 WeakPolarHBondContact CA-OG 3.43Å; A25-S28 PolarHBondContact O-N 3.49Å; A25-S28 PolarHBondContact O-OG 3.35Å; A25-T29 WeakPolarHBondContact O-CB 3.15Å; A25-T29 VanDerWaalsContact O-CG2 3.32Å; A25-T29 WeakPolarHBondContact O-CG2 3.43Å; A25-T29 PolarHBondContact O-N 3.04Å; A25-T29 PolarHBondContact O-OG1 2.87Å; A25-F40 HydrophobicContact CB-CD1 3.81Å; A25-F40 HydrophobicContact CB-CD2 4.19Å; A25-F40 HydrophobicContact CB-CE1 3.9Å; A25-F40 HydrophobicContact CB-CE2 4.29Å; A25-F40 HydrophobicContact CB-CG 3.97Å; A25-F40 HydrophobicContact CB-CZ 4.15Å
26A67.6Low61.4Low4 Ų475.7 Ų75.73%0.03344%0.44CS..Hα-helixtrans-59.8-45.4175.700000112.1S22 L23 T29 A30 F40 L41S22-A26 WeakPolarHBondContact O-CB 3.38Å; S22-A26 PolarHBondContact O-N 2.97Å; L23-A26 WeakPolarHBondContact O-CB 3.46Å; L23-A26 PolarHBondContact O-N 3.07Å; A26-T29 PolarHBondContact O-OG1 3.08Å; A26-A30 VanDerWaalsContact O-CB 3.29Å; A26-A30 WeakPolarHBondContact O-CB 3.25Å; A26-A30 PolarHBondContact O-N 3.3Å; A26-F40 HydrophobicContact CB-CB 3.62Å; A26-L41 HydrophobicContact CB-CD2 4.12Å; A26-L41 HydrophobicContact CB-CG 4.1Å
27V74.6Confident60.6Low102 Ų10271.5 Ų71.562%0.61842%0.419SS*.Hα-helixtrans-67.7-43.9-179.8173.30000111.4L23 H24 A25 T29 A30L23-V27 WeakPolarHBondContact O-CG2 3.46Å; L23-V27 PolarHBondContact O-N 2.75Å; H24-V27 PolarHBondContact O-N 3.28Å; A25-V27 PolarHBondContact O-N 2.98Å; V27-T29 VanDerWaalsContact C-N 3.34Å; V27-T29 PolarHBondContact O-N 2.82Å; V27-A30 PolarHBondContact O-N 2.7Å
28S67.8Low60Low70 Ų7069.5 Ų69.549%0.4941%0.412SS..Hα-helixtrans-67.3-32.5178.763.90000113.2H24 A25H24-S28 WeakPolarHBondContact O-CB 3.34Å; H24-S28 PolarHBondContact O-N 3.08Å; H24-S28 PolarHBondContact O-OG 2.84Å; H24-S28 VanDerWaalsContact O-OG 3.08Å; A25-S28 WeakPolarHBondContact CA-OG 3.43Å; A25-S28 PolarHBondContact O-N 3.49Å; A25-S28 PolarHBondContact O-OG 3.35Å
29T60.2Low59.5Low23 Ų2366.8 Ų66.814%0.14141%0.406CS..Hα-helixtrans-90-14.8-179.757.20000113.7A25 A26 V27 Q31 A32 S33 F40A25-T29 WeakPolarHBondContact O-CB 3.15Å; A25-T29 VanDerWaalsContact O-CG2 3.32Å; A25-T29 WeakPolarHBondContact O-CG2 3.43Å; A25-T29 PolarHBondContact O-N 3.04Å; A25-T29 PolarHBondContact O-OG1 2.87Å; A26-T29 PolarHBondContact O-OG1 3.08Å; V27-T29 VanDerWaalsContact C-N 3.34Å; V27-T29 PolarHBondContact O-N 2.82Å; T29-Q31 PolarHBondContact O-N 2.77Å; T29-A32 PolarHBondContact O-N 2.81Å; T29-S33 PolarHBondContact O-N 3.29Å; T29-F40 HydrophobicContact CG2-CD2 4.5Å; T29-F40 HydrophobicContact CG2-CE2 3.98Å
30A67Low59.2Low48 Ų4867.9 Ų67.940%0.39741%0.407SS..THydrogen-bonded Turntrans-60-30179.200000113.8A26 V27 A37A26-A30 VanDerWaalsContact O-CB 3.29Å; A26-A30 WeakPolarHBondContact O-CB 3.25Å; A26-A30 PolarHBondContact O-N 3.3Å; V27-A30 PolarHBondContact O-N 2.7Å; A30-A37 HydrophobicContact CB-CB 3.99Å
31Q55.2Low58.7Low192 Ų19268.2 Ų68.290%0.89741%0.406SS*.THydrogen-bonded Turntrans-77.9-26.5176.3-68-176.4-13.800112.8T29T29-Q31 PolarHBondContact O-N 2.77Å
32A47.4Very low58.5Low94 Ų9469.5 Ų69.578%0.77741%0.409SS*.THydrogen-bonded Turntrans-95.5-36.6-177.100000113.2T29T29-A32 PolarHBondContact O-N 2.81Å
33S51.7Low58.5Low44 Ų4473.8 Ų73.831%0.30843%0.429SS..  trans-158.9113.9-179.61740000111.8T29 G35 A36 A37T29-S33 PolarHBondContact O-N 3.29Å; S33-G35 PolarHBondContact O-N 3.42Å; S33-A36 PolarHBondContact O-N 3.4Å; S33-A36 PolarHBondContact OG-N 2.88Å; S33-A37 PolarHBondContact O-N 2.93Å
34R54.3Low58.4Low223 Ų22371 Ų7184%0.84242%0.415SS*.Hα-helixtrans-62-27.5177.6-68.6-178.1170-176.3-3.5113.1A38R34-A38 PolarHBondContact O-N 3.06Å
35G46.9Very low58Low53 Ų5369.2 Ų69.255%0.54641%0.409SS..Hα-helixtrans-74.4-42.1178.400000113.1S33 A37 A38 G39S33-G35 PolarHBondContact O-N 3.42Å; G35-A37 VanDerWaalsContact C-N 3.35Å; G35-A38 PolarHBondContact O-N 3.32Å; G35-G39 PolarHBondContact O-N 2.84Å
36A48.3Very low57.9Low23 Ų2370.7 Ų70.719%0.1942%0.422CS..Hα-helixtrans-64.7-41.7175.800000111.2S33 A38 G39 F40S33-A36 PolarHBondContact O-N 3.4Å; S33-A36 PolarHBondContact OG-N 2.88Å; A36-A38 VanDerWaalsContact C-N 3.31Å; A36-A38 PolarHBondContact O-N 2.84Å; A36-G39 PolarHBondContact O-N 2.82Å; A36-G39 VanDerWaalsContact O-N 3.11Å; A36-F40 WeakPolarHBondContact O-CD2 3.36Å; A36-F40 PolarHBondContact O-N 3.18Å; A36-F40 VanDerWaalsContact O-N 3.1Å
37A52.2Low57.5Low8 Ų870.6 Ų70.67%0.06642%0.421CS..Hα-helixtrans-59.2-40174.500000112.5A30 S33 G35 G39 F40 L41A30-A37 HydrophobicContact CB-CB 3.99Å; S33-A37 PolarHBondContact O-N 2.93Å; G35-A37 VanDerWaalsContact C-N 3.35Å; A37-G39 VanDerWaalsContact C-N 3.32Å; A37-G39 PolarHBondContact O-N 3.08Å; A37-F40 PolarHBondContact O-N 3.29Å; A37-L41 VanDerWaalsContact O-CG 3.26Å; A37-L41 WeakPolarHBondContact O-CG 3.28Å; A37-L41 PolarHBondContact O-N 3.18Å
38A53.8Low57Low47 Ų4769.3 Ų69.339%0.38841%0.413SS..Hα-helixtrans-63.5-36.5175.500000112.8R34 G35 A36 L41 L42R34-A38 PolarHBondContact O-N 3.06Å; G35-A38 PolarHBondContact O-N 3.32Å; A36-A38 VanDerWaalsContact C-N 3.31Å; A36-A38 PolarHBondContact O-N 2.84Å; A38-L41 PolarHBondContact O-N 3.38Å; A38-L42 PolarHBondContact O-N 2.87Å
39G49.7Very low56.8Low34 Ų3469.8 Ų69.835%0.35141%0.41SS..Hα-helixtrans-64.1-43.5174.200000113G35 A36 A37 L42 Q43G35-G39 PolarHBondContact O-N 2.84Å; A36-G39 PolarHBondContact O-N 2.82Å; A36-G39 VanDerWaalsContact O-N 3.11Å; A37-G39 VanDerWaalsContact C-N 3.32Å; A37-G39 PolarHBondContact O-N 3.08Å; G39-L42 WeakPolarHBondContact O-CB 3.21Å; G39-L42 PolarHBondContact O-N 3.49Å; G39-Q43 PolarHBondContact O-N 3.19Å
40F58.1Low56.7Low36 Ų3673.6 Ų73.616%0.15843%0.427CS..Hα-helixtrans-67.9-33.9175.2-69.6-62.9000112.6S22 A25 A26 T29 A36 A37 L42 Q43 V44 L135S22-F40 WeakPolarHBondContact O-CB 3.5Å; A25-F40 HydrophobicContact CB-CD1 3.81Å; A25-F40 HydrophobicContact CB-CD2 4.19Å; A25-F40 HydrophobicContact CB-CE1 3.9Å; A25-F40 HydrophobicContact CB-CE2 4.29Å; A25-F40 HydrophobicContact CB-CG 3.97Å; A25-F40 HydrophobicContact CB-CZ 4.15Å; A26-F40 HydrophobicContact CB-CB 3.62Å; T29-F40 HydrophobicContact CG2-CD2 4.5Å; T29-F40 HydrophobicContact CG2-CE2 3.98Å; A36-F40 WeakPolarHBondContact O-CD2 3.36Å; A36-F40 PolarHBondContact O-N 3.18Å; A36-F40 VanDerWaalsContact O-N 3.1Å; A37-F40 PolarHBondContact O-N 3.29Å; F40-L42 VanDerWaalsContact C-N 3.34Å; F40-L42 PolarHBondContact O-N 2.86Å; F40-Q43 WeakPolarHBondContact O-CB 3.2Å; F40-Q43 PolarHBondContact O-N 3.15Å; F40-V44 WeakPolarHBondContact O-CG2 3.44Å; F40-V44 PolarHBondContact O-N 3.46Å; F40-L135 HydrophobicContact CZ-CD2 4.03Å
41L59.3Low56.3Low94 Ų9474.5 Ų74.549%0.49243%0.425SS..Hα-helixtrans-65.3-35.2173.2-70.1169000112.5L23 A26 A37 A38 Q43 V44 L45L23-L41 HydrophobicContact CD1-CD2 4.38Å; A26-L41 HydrophobicContact CB-CD2 4.12Å; A26-L41 HydrophobicContact CB-CG 4.1Å; A37-L41 VanDerWaalsContact O-CG 3.26Å; A37-L41 WeakPolarHBondContact O-CG 3.28Å; A37-L41 PolarHBondContact O-N 3.18Å; A38-L41 PolarHBondContact O-N 3.38Å; L41-Q43 VanDerWaalsContact C-N 3.32Å; L41-V44 WeakPolarHBondContact O-CB 3.26Å; L41-V44 PolarHBondContact O-N 3.26Å; L41-L45 PolarHBondContact O-N 3.29Å
42L58.6Low56.3Low115 Ų11567.8 Ų67.860%0.60240%0.402SS*.Hα-helixtrans-65.3-34.8172.1-83.3156000112.3A38 G39 F40 L45 A46A38-L42 PolarHBondContact O-N 2.87Å; G39-L42 WeakPolarHBondContact O-CB 3.21Å; G39-L42 PolarHBondContact O-N 3.49Å; F40-L42 VanDerWaalsContact C-N 3.34Å; F40-L42 PolarHBondContact O-N 2.86Å; L42-L45 WeakPolarHBondContact O-CB 3.47Å; L42-L45 PolarHBondContact O-N 3.22Å; L42-A46 PolarHBondContact O-N 3.4Å
43Q58.7Low56Low96 Ų9669.9 Ų69.945%0.44941%0.408SS..Hα-helixtrans-70.1-37.4174.3-69.9178.2-13.700112.2G39 F40 L41 L45 A46 A47G39-Q43 PolarHBondContact O-N 3.19Å; F40-Q43 WeakPolarHBondContact O-CB 3.2Å; F40-Q43 PolarHBondContact O-N 3.15Å; L41-Q43 VanDerWaalsContact C-N 3.32Å; Q43-L45 VanDerWaalsContact C-N 3.31Å; Q43-A46 PolarHBondContact O-N 3.3Å; Q43-A47 WeakPolarHBondContact O-CB 3.18Å; Q43-A47 PolarHBondContact O-N 3.13Å
44V66.8Low56Low27 Ų2771.3 Ų71.316%0.16443%0.429CS..Hα-helixtrans-59.3-45.4169.9174.60000110.2L23 F40 L41 A46 A47 T48L23-V44 HydrophobicContact CB-CG2 3.87Å; L23-V44 HydrophobicContact CD1-CG2 4.24Å; F40-V44 WeakPolarHBondContact O-CG2 3.44Å; F40-V44 PolarHBondContact O-N 3.46Å; L41-V44 WeakPolarHBondContact O-CB 3.26Å; L41-V44 PolarHBondContact O-N 3.26Å; V44-A46 PolarHBondContact O-N 2.88Å; V44-A47 PolarHBondContact O-N 2.83Å; V44-T48 WeakPolarHBondContact O-CG2 3.42Å; V44-T48 PolarHBondContact O-N 2.85Å; V44-T48 PolarHBondContact O-OG1 3.46Å; V44-T48 VanDerWaalsContact O-OG1 3.06Å
45L61Low55.5Low100 Ų10067.3 Ų67.352%0.52442%0.424SS..Hα-helixtrans-60-47.3177.6-164.185.5000111.5L41 L42 Q43 A47 T48 I49L41-L45 PolarHBondContact O-N 3.29Å; L42-L45 WeakPolarHBondContact O-CB 3.47Å; L42-L45 PolarHBondContact O-N 3.22Å; Q43-L45 VanDerWaalsContact C-N 3.31Å; L45-A47 PolarHBondContact O-N 3.35Å; L45-T48 VanDerWaalsContact C-OG1 3.3Å; L45-T48 VanDerWaalsContact CA-OG1 3.29Å; L45-T48 WeakPolarHBondContact CA-OG1 3.19Å; L45-T48 PolarHBondContact O-N 3.14Å; L45-T48 PolarHBondContact O-OG1 2.92Å; L45-I49 HydrophobicContact CD2-CD1 4.39Å; L45-I49 HydrophobicContact CG-CD1 4.23Å; L45-I49 VanDerWaalsContact O-CG1 3.27Å; L45-I49 WeakPolarHBondContact O-CG1 3.32Å; L45-I49 PolarHBondContact O-N 3.07Å
46A57.6Low55.2Low51 Ų5169.6 Ų69.642%0.42143%0.432SS..Hα-helixtrans-62.2-41.9177.900000112.4L42 Q43 V44 I49 M50L42-A46 PolarHBondContact O-N 3.4Å; Q43-A46 PolarHBondContact O-N 3.3Å; V44-A46 PolarHBondContact O-N 2.88Å; A46-I49 PolarHBondContact O-N 3.45Å; A46-M50 WeakPolarHBondContact O-CG 3.39Å; A46-M50 PolarHBondContact O-N 2.82Å; A46-M50 VanDerWaalsContact O-N 3.16Å
47A59.4Low54.6Low3 Ų375.2 Ų75.23%0.02546%0.464CS..Hα-helixtrans-64.1-39.7175.400000112Q43 V44 L45 M50 L51Q43-A47 WeakPolarHBondContact O-CB 3.18Å; Q43-A47 PolarHBondContact O-N 3.13Å; V44-A47 PolarHBondContact O-N 2.83Å; L45-A47 PolarHBondContact O-N 3.35Å; A47-M50 PolarHBondContact O-N 3.19Å; A47-L51 WeakPolarHBondContact O-CG 3.48Å; A47-L51 PolarHBondContact O-N 2.78Å
48T63.3Low53.9Low74 Ų7481.6 Ų81.645%0.45449%0.492SS..Hα-helixtrans-67.5-33.6176500000113.1V44 L45 M50 L51 A52V44-T48 WeakPolarHBondContact O-CG2 3.42Å; V44-T48 PolarHBondContact O-N 2.85Å; V44-T48 PolarHBondContact O-OG1 3.46Å; V44-T48 VanDerWaalsContact O-OG1 3.06Å; L45-T48 VanDerWaalsContact C-OG1 3.3Å; L45-T48 VanDerWaalsContact CA-OG1 3.29Å; L45-T48 WeakPolarHBondContact CA-OG1 3.19Å; L45-T48 PolarHBondContact O-N 3.14Å; L45-T48 PolarHBondContact O-OG1 2.92Å; T48-M50 VanDerWaalsContact C-N 3.34Å; T48-L51 PolarHBondContact O-N 3.44Å; T48-A52 PolarHBondContact O-N 3.25Å
49I63.3Low53.3Low81 Ų8188 Ų8842%0.41551%0.514SS..Hα-helixtrans-66.5-38.5174.8-68.2163.8000110.4L45 A46 L51 A52L45-I49 HydrophobicContact CD2-CD1 4.39Å; L45-I49 HydrophobicContact CG-CD1 4.23Å; L45-I49 VanDerWaalsContact O-CG1 3.27Å; L45-I49 WeakPolarHBondContact O-CG1 3.32Å; L45-I49 PolarHBondContact O-N 3.07Å; A46-I49 PolarHBondContact O-N 3.45Å; I49-L51 VanDerWaalsContact C-N 3.28Å; I49-L51 PolarHBondContact O-N 3.35Å; I49-A52 WeakPolarHBondContact O-CB 3.44Å; I49-A52 PolarHBondContact O-N 2.9Å
50M57.6Low52.9Low102 Ų10292.5 Ų92.550%0.50253%0.53SS..Hα-helixtrans-72.1-20.3177.4-65.6-63.4131.400113.7A46 A47 T48A46-M50 WeakPolarHBondContact O-CG 3.39Å; A46-M50 PolarHBondContact O-N 2.82Å; A46-M50 VanDerWaalsContact O-N 3.16Å; A47-M50 PolarHBondContact O-N 3.19Å; T48-M50 VanDerWaalsContact C-N 3.34Å
51L59.7Low52.1Low67 Ų6793.8 Ų93.835%0.35154%0.543SS..THydrogen-bonded Turntrans-88.2-9.9173.6-72.6165.9000113.1A12 H15 L16 A47 T48 I49A12-L51 HydrophobicContact CB-CD2 4.11Å; H15-L51 HydrophobicContact CB-CD1 4.31Å; H15-L51 HydrophobicContact CB-CD2 4.13Å; H15-L51 HydrophobicContact CB-CG 4.01Å; L16-L51 HydrophobicContact CB-CD1 4.47Å; L16-L51 HydrophobicContact CG-CD1 4.42Å; A47-L51 WeakPolarHBondContact O-CG 3.48Å; A47-L51 PolarHBondContact O-N 2.78Å; T48-L51 PolarHBondContact O-N 3.44Å; I49-L51 VanDerWaalsContact C-N 3.28Å; I49-L51 PolarHBondContact O-N 3.35Å
52A55.6Low51.1Low51 Ų5197 Ų9742%0.42156%0.559SS.*SBendtrans-78.3123.8178.800000110.5T48 I49 G54T48-A52 PolarHBondContact O-N 3.25Å; I49-A52 WeakPolarHBondContact O-CB 3.44Å; I49-A52 PolarHBondContact O-N 2.9Å; A52-G54 PolarHBondContact O-N 3.22Å; A52-G54 VanDerWaalsContact O-N 3.16Å
53P40.8Very low50.2Low139 Ų13993.8 Ų93.890%0.90355%0.55SS*.THydrogen-bonded Turntrans-72.9112.5179.923.9-22.8000109.4
54G51Low49.3Very low73 Ų7391.8 Ų91.875%0.75356%0.555SS**THydrogen-bonded Turntrans144.8-6.4175.700000116.4A52A52-G54 PolarHBondContact O-N 3.22Å; A52-G54 VanDerWaalsContact O-N 3.16Å
55L44.4Very low47.9Very low139 Ų13994.2 Ų94.273%0.72858%0.578SS**  trans-139.571.5178.3-104.3109.2000111.7
56S39.3Very low46.5Very low101 Ų10199.5 Ų99.571%0.70659%0.591SS**  trans-154.9126163.952.50000112.5
57T36.3Very low45.8Very low142 Ų142100 Ų10087%0.87159%0.588SS**  trans-86.3136163.644.10000109
58H38.4Very low44.7Very low141 Ų141103.2 Ų103.265%0.65362%0.615SS**SBendtrans-96.794.1-158179.7-72.8000111.5
59E39.6Very low43.5Very low182 Ų182105.3 Ų105.385%0.8563%0.628SS**  trans-158.87.7165.7-117.9170-160.800119.2
60D41.8Very low42.2Very low129 Ų129107 Ų10769%0.6964%0.642SS**  trans-110.714.7-166.7-72-38.4000117.7L62D60-L62 PolarHBondContact O-N 2.89Å
61C41.2Very low41.6Very low62 Ų62105.8 Ų105.842%0.41964%0.637SS.*THydrogen-bonded Turntrans-79.4-12.9-163.8-159.50000116.5T11T11-C61 HydrophobicContact CG2-CB 4.36Å; T11-C61 WeakPolarHBondContact CG2-SG 3.38Å; T11-C61 PolarHBondContact OG1-SG 3.35Å
62L38.3Very low40.4Very low162 Ų162104.2 Ų104.285%0.84864%0.636SS**THydrogen-bonded Turntrans-110.5-11.6-175.9-90.3151.1000114.6D60D60-L62 PolarHBondContact O-N 2.89Å
63A41.1Very low39.5Very low48 Ų48109.6 Ų109.640%0.39766%0.657SS.*THydrogen-bonded Turntrans-81.1-24.7178.400000113.2A65 V67A63-A65 PolarHBondContact O-N 2.77Å; A63-V67 VanDerWaalsContact O-CG2 3.27Å; A63-V67 WeakPolarHBondContact O-CG2 3.44Å
64G39.2Very low39.4Very low54 Ų54104.4 Ų104.456%0.55762%0.624SS**Hα-helixtrans-67.6-28.1-172.300000115.8
65A36.6Very low39Very low78 Ų78104.5 Ų104.565%0.64561%0.607SS**Hα-helixtrans-80.9-27.7-174.300000113.8A63A63-A65 PolarHBondContact O-N 2.77Å
66W32.8Very low38.9Very low210 Ų210105.1 Ų105.180%0.79561%0.61SS**Hα-helixtrans-83.6-27.2178-80.275.5000112.7A68W66-A68 VanDerWaalsContact C-N 3.33Å; W66-A68 PolarHBondContact O-N 3.42Å
67V42.3Very low39.3Very low61 Ų61101.7 Ų101.737%0.3759%0.588SS.*Hα-helixtrans-68.6-29.7-179.1171.40000112.2A63 T69 I71A63-V67 VanDerWaalsContact O-CG2 3.27Å; A63-V67 WeakPolarHBondContact O-CG2 3.44Å; V67-T69 PolarHBondContact O-N 2.85Å; V67-I71 HydrophobicContact CG1-CD1 3.91Å; V67-I71 HydrophobicContact CG1-CG1 4.38Å; V67-I71 VanDerWaalsContact O-CB 3.3Å; V67-I71 WeakPolarHBondContact O-CB 3.08Å; V67-I71 PolarHBondContact O-N 3.25Å
68A36.7Very low40.3Very low72 Ų72100.9 Ų100.960%0.59557%0.573SS**Hα-helixtrans-71-27.6-178.500000114.2W66W66-A68 VanDerWaalsContact C-N 3.33Å; W66-A68 PolarHBondContact O-N 3.42Å
69T37.2Very low42.1Very low117 Ų11796.9 Ų96.972%0.71856%0.556SS**Hα-helixtrans-100.1-26.5-170.2-46.80000113.2V67V67-T69 PolarHBondContact O-N 2.85Å
70V36.7Very low44.2Very low116 Ų11689.1 Ų89.170%0.70352%0.519SS*.Hα-helixtrans-99.7-20.8179.3-176.50000112.5
71I43.8Very low46.3Very low77 Ų7784.6 Ų84.640%0.39549%0.494SS..SBendtrans-98.3-0.6175.4-47.6-166.2000112V67 L73 P74V67-I71 HydrophobicContact CG1-CD1 3.91Å; V67-I71 HydrophobicContact CG1-CG1 4.38Å; V67-I71 VanDerWaalsContact O-CB 3.3Å; V67-I71 WeakPolarHBondContact O-CB 3.08Å; V67-I71 PolarHBondContact O-N 3.25Å; I71-L73 PolarHBondContact O-N 3.11Å; I71-P74 WeakPolarHBondContact O-CD 3.48Å
72G35.6Very low48.5Very low34 Ų3486.6 Ų86.635%0.35149%0.493SS..SBendtrans-75.9-12.9-179.400000116
73L36.3Very low50.9Low164 Ų16479 Ų7986%0.85945%0.453SS*.SBendtrans-105.78.4-170.3-120.284.8000119.4I71I71-L73 PolarHBondContact O-N 3.11Å
74P39.3Very low53.1Low31 Ų3180.8 Ų80.820%0.20146%0.459CS..  trans-116.445.3165.438.3-25.2000111.4I71 L76 A77 C90I71-P74 WeakPolarHBondContact O-CD 3.48Å; P74-L76 PolarHBondContact O-N 3.44Å; P74-A77 PolarHBondContact O-N 3.25Å; P74-C90 HydrophobicContact CB-CB 4.29Å; P74-C90 VanDerWaalsContact CB-SG 3.52Å; P74-C90 HydrophobicContact CG-CB 4.08Å; P74-C90 WeakPolarHBondContact CG-SG 3.3Å
75L42.7Very low55.4Low75 Ų7583.1 Ų83.139%0.39346%0.459SS..THydrogen-bonded Turntrans-76.64.5169.4-81.3173.5000113.3F80 V132 R148L75-F80 HydrophobicContact CD2-CZ 4.27Å; L75-V132 HydrophobicContact CD2-CG1 4.14Å; L75-R148 PolarHBondContact O-NH1 3.12Å; L75-R148 VanDerWaalsContact O-NH1 3.1Å
76L42.1Very low57.7Low151 Ų15181.5 Ų81.579%0.79145%0.449SS*.THydrogen-bonded Turntrans-94.7-4.7168.3-70.9163.6000112.8P74P74-L76 PolarHBondContact O-N 3.44Å
77A47Very low60.3Low30 Ų3074.2 Ų74.225%0.24842%0.424CS..  trans-86.6112.3174.700000109.1P74 D79 F80 C90P74-A77 PolarHBondContact O-N 3.25Å; A77-D79 PolarHBondContact O-N 2.86Å; A77-D79 VanDerWaalsContact O-N 3.09Å; A77-F80 WeakPolarHBondContact O-CE2 3.33Å; A77-C90 HydrophobicContact CB-CB 4.07Å
78F58.4Low62.4Low125 Ų12575.2 Ų75.255%0.54843%0.427SS..  trans-70.21.5-179.9-66.4-80.2000114.4E129F78-E129 WeakPolarHBondContact O-CG 3.15Å
79D74.9Confident64.9Low56 Ų5672.4 Ų72.430%0.29940%0.402SS..  trans-121.7120.9-174-65.5-3.6000110A77 C90 A91 R124 E129A77-D79 PolarHBondContact O-N 2.86Å; A77-D79 VanDerWaalsContact O-N 3.09Å; D79-C90 CarbonylContact O-C 3.55Å; D79-A91 HydrophobicContact CB-CB 3.54Å; D79-A91 PolarHBondContact O-N 2.91Å; D79-R124 IonicContact OD1-CZ 2.63Å; D79-R124 IonicContact OD1-NE 3.15Å; D79-R124 IonicContact OD1-NH1 3.33Å; D79-R124 PolarHBondContact OD1-NH1 3.24Å; D79-R124 IonicContact OD1-NH2 3.26Å; D79-R124 PolarHBondContact OD1-NH2 3.49Å; D79-R124 IonicContact OD2-NH1 3.71Å; D79-E129 VanDerWaalsContact CA-OE1 3.31Å; D79-E129 WeakPolarHBondContact CA-OE1 3.26Å
80F84.6Confident67.2Low20 Ų2067 Ų679%0.08837%0.369CS..EExtended strand (participates in β ladder)trans-118.8135.7176.8-72.8-88.9000110.3L75 A77 C90 R124 N125 V128 E129 V132L75-F80 HydrophobicContact CD2-CZ 4.27Å; A77-F80 WeakPolarHBondContact O-CE2 3.33Å; F80-C90 HydrophobicContact CD1-CB 4.33Å; F80-C90 HydrophobicContact CE1-CB 4.1Å; F80-R124 CarbonylContact O-C 3.6Å; F80-R124 VanDerWaalsContact O-CA 3.31Å; F80-R124 WeakPolarHBondContact O-CA 3.47Å; F80-N125 PolarHBondContact O-N 3.38Å; F80-V128 HydrophobicContact CB-CG1 4.07Å; F80-V128 HydrophobicContact CD1-CG1 4.32Å; F80-V128 HydrophobicContact CD2-CG1 4.08Å; F80-V128 HydrophobicContact CG-CG1 3.89Å; F80-E129 HydrophobicContact CB-CG 4.22Å; F80-E129 HydrophobicContact CD2-CG 3.83Å; F80-E129 PolarHBondContact N-OE1 3.35Å; F80-V132 HydrophobicContact CE2-CB 4.1Å; F80-V132 HydrophobicContact CE2-CG1 3.95Å; F80-V132 HydrophobicContact CE2-CG2 3.97Å; F80-V132 HydrophobicContact CZ-CG1 4.2Å; F80-V132 HydrophobicContact CZ-CG2 4.17Å
81H85.9Confident69.5Low33 Ų3362.4 Ų62.415%0.15334%0.343CS..EExtended strand (participates in β ladder)trans-115.8144.8175.8-6670000109.3L88 M89 F94 C122 C123H81-L88 CarbonylContact O-C 3.53Å; H81-L88 WeakPolarHBondContact O-CA 3.31Å; H81-M89 PolarHBondContact N-O 2.97Å; H81-M89 PolarHBondContact O-N 3.01Å; H81-F94 HydrophobicContact CB-CD1 4.35Å; H81-F94 HydrophobicContact CB-CG 4.35Å; H81-F94 AromaticContact CD2-CD1 3.96Å; H81-F94 AromaticContact CD2-CE1 3.88Å; H81-F94 AromaticContact CG-CD1 3.9Å; H81-C122 HydrophobicContact CB-CB 4.48Å; H81-C123 VanDerWaalsContact CA-O 3.31Å; H81-C123 WeakPolarHBondContact CA-O 3.37Å
82W86.2Confident71.4Confident105 Ų10560.3 Ų60.340%0.39834%0.34SS..EExtended strand (participates in β ladder)trans-106.4155.9168.861.936.7000112.1H87 L88 C122 C123 N125W82-H87 CarbonylContact C-O 3.56Å; W82-H87 WeakPolarHBondContact CA-O 3.43Å; W82-L88 HydrophobicContact CB-CD2 4.19Å; W82-C122 VanDerWaalsContact O-CA 3.24Å; W82-C122 WeakPolarHBondContact O-CA 3.49Å; W82-C122 WeakPolarHBondContact O-CB 3.44Å; W82-C122 PolarHBondContact O-SG 2.9Å; W82-C123 PolarHBondContact N-O 3.48Å; W82-N125 HydrophobicContact CD2-CB 4.44Å; W82-N125 HydrophobicContact CE3-CB 4.08Å; W82-N125 HydrophobicContact CZ3-CB 4.37Å; W82-N125 WeakPolarHBondContact CZ3-ND2 3.27Å
83C89.3Confident73.7Confident1 Ų160.7 Ų60.71%0.00734%0.337CS..  trans-81.7172.2161.376.20000111.1N85 G86 H87 M89 C110 C115 I117C83-N85 PolarHBondContact O-N 3.35Å; C83-N85 VanDerWaalsContact O-N 3.12Å; C83-N85 PolarHBondContact SG-N 2.97Å; C83-N85 VanDerWaalsContact SG-N 3.44Å; C83-G86 PolarHBondContact O-N 3.32Å; C83-H87 PolarHBondContact N-O 3.2Å; C83-H87 PolarHBondContact SG-N 2.79Å; C83-H87 VanDerWaalsContact SG-N 3.38Å; C83-M89 HydrophobicContact CB-CE 4.47Å; C83-C110 HydrophobicContact CB-CB 4.3Å; C83-C115 VanDerWaalsContact CB-SG 3.59Å; C83-I117 HydrophobicContact CB-CG2 4.05Å
84T88.4Confident76.2Confident87 Ų8753.1 Ų53.153%0.53430%0.297SS..THydrogen-bonded Turntrans-59.1-24.1177.754.70000113.3L121T84-L121 HydrophobicContact CG2-CB 4.5Å
85N86.1Confident78.6Confident103 Ų10352.9 Ų52.955%0.55129%0.294SS*.THydrogen-bonded Turntrans-93.94.4177.9-60.6-6.9000113.1C83C83-N85 PolarHBondContact O-N 3.35Å; C83-N85 VanDerWaalsContact O-N 3.12Å; C83-N85 PolarHBondContact SG-N 2.97Å; C83-N85 VanDerWaalsContact SG-N 3.44Å
86G84.8Confident80.7Confident43 Ų4352.1 Ų52.144%0.44329%0.288SS..  trans91.63172.800000117C83C83-G86 PolarHBondContact O-N 3.32Å
87H87.7Confident83Confident58 Ų5847.1 Ų47.127%0.26926%0.262SS..  trans-73.4132.1175.9-58.7107.2000111.8W82 C83 N112 C113W82-H87 CarbonylContact C-O 3.56Å; W82-H87 WeakPolarHBondContact CA-O 3.43Å; C83-H87 PolarHBondContact N-O 3.2Å; C83-H87 PolarHBondContact SG-N 2.79Å; C83-H87 VanDerWaalsContact SG-N 3.38Å; H87-N112 HydrophobicContact CB-CB 4.35Å; H87-N112 PolarHBondContact CD2-ND2 3.14Å; H87-N112 PolarHBondContact NE2-ND2 3.28Å; H87-C113 WeakPolarHBondContact CE1-CB 3.46Å; H87-C113 PolarHBondContact ND1-SG 3.05Å
88L87.7Confident85Confident82 Ų8246.5 Ų46.543%0.42926%0.255SS..EExtended strand (participates in β ladder)trans-88.2140-177-61.6170.1000111.9H81 W82 V128H81-L88 CarbonylContact O-C 3.53Å; H81-L88 WeakPolarHBondContact O-CA 3.31Å; W82-L88 HydrophobicContact CB-CD2 4.19Å; L88-V128 HydrophobicContact CD1-CG1 4.07Å; L88-V128 HydrophobicContact CD1-CG2 3.96Å; L88-V128 HydrophobicContact CD2-CG1 4.47Å; L88-V128 HydrophobicContact CD2-CG2 4.01Å
89M87.7Confident86.4Confident12 Ų1240.6 Ų40.66%0.05923%0.229CC..EExtended strand (participates in β ladder)trans-137.2135.9173.8-61.5171.2-71.400108H81 C83 F94 L97 I117H81-M89 PolarHBondContact N-O 2.97Å; H81-M89 PolarHBondContact O-N 3.01Å; C83-M89 HydrophobicContact CB-CE 4.47Å; M89-F94 HydrophobicContact CB-CB 4.35Å; M89-F94 HydrophobicContact CE-CD2 4Å; M89-L97 HydrophobicContact SD-CD1 3.91Å; M89-I117 HydrophobicContact CE-CD1 4.44Å; M89-I117 HydrophobicContact CE-CG2 4.17Å; M89-I117 HydrophobicContact SD-CD1 4.2Å
90C85.5Confident87Confident5 Ų539.3 Ų39.33%0.03422%0.222CC..EExtended strand (participates in β ladder)trans-67.9158169.479.30000110P74 A77 D79 F80 G92 C93 F94P74-C90 HydrophobicContact CB-CB 4.29Å; P74-C90 VanDerWaalsContact CB-SG 3.52Å; P74-C90 HydrophobicContact CG-CB 4.08Å; P74-C90 WeakPolarHBondContact CG-SG 3.3Å; A77-C90 HydrophobicContact CB-CB 4.07Å; D79-C90 CarbonylContact O-C 3.55Å; F80-C90 HydrophobicContact CD1-CB 4.33Å; F80-C90 HydrophobicContact CE1-CB 4.1Å; C90-G92 VanDerWaalsContact C-N 3.25Å; C90-G92 PolarHBondContact O-N 3.17Å; C90-C93 PolarHBondContact O-N 3.01Å; C90-C93 PolarHBondContact SG-N 2.8Å; C90-C93 PolarHBondContact SG-SG 3.49Å; C90-F94 WeakPolarHBondContact O-CB 3.29Å; C90-F94 PolarHBondContact O-N 3.07Å
91A84.8Confident87.2Confident18 Ų1838.8 Ų38.815%0.14922%0.221CC..Hα-helixtrans-57.8-37.3179.500000112.8D79 F94 I95D79-A91 HydrophobicContact CB-CB 3.54Å; D79-A91 PolarHBondContact O-N 2.91Å; A91-F94 PolarHBondContact O-N 2.96Å; A91-I95 WeakPolarHBondContact O-CB 3.25Å; A91-I95 WeakPolarHBondContact O-CG1 3.2Å; A91-I95 PolarHBondContact O-N 2.98Å
92G83.8Confident87.2Confident33 Ų3340.4 Ų40.434%0.3423%0.226SC..Hα-helixtrans-60.3-51.1176.700000112.6C90 I95 H96C90-G92 VanDerWaalsContact C-N 3.25Å; C90-G92 PolarHBondContact O-N 3.17Å; G92-I95 PolarHBondContact O-N 3.41Å; G92-H96 WeakPolarHBondContact O-CB 3.49Å; G92-H96 PolarHBondContact O-N 3.34Å
93C85.8Confident87.1Confident43 Ų4335.9 Ų35.929%0.29121%0.21SC..Hα-helixtrans-64.5-42176.9-69.70000111.7C90 H96 L97C90-C93 PolarHBondContact O-N 3.01Å; C90-C93 PolarHBondContact SG-N 2.8Å; C90-C93 PolarHBondContact SG-SG 3.49Å; C93-H96 WeakPolarHBondContact O-CB 3.35Å; C93-H96 PolarHBondContact O-N 3.36Å; C93-L97 VanDerWaalsContact O-CG 3.27Å; C93-L97 WeakPolarHBondContact O-CG 3.21Å; C93-L97 PolarHBondContact O-N 2.77Å
94F88.3Confident86.8Confident4 Ų440.1 Ų40.12%0.01823%0.228CC..Hα-helixtrans-59.4-50.3177.5176.1-121.7000111.6H81 M89 C90 A91 H96 L97 L98 I117 K119 C122H81-F94 HydrophobicContact CB-CD1 4.35Å; H81-F94 HydrophobicContact CB-CG 4.35Å; H81-F94 AromaticContact CD2-CD1 3.96Å; H81-F94 AromaticContact CD2-CE1 3.88Å; H81-F94 AromaticContact CG-CD1 3.9Å; M89-F94 HydrophobicContact CB-CB 4.35Å; M89-F94 HydrophobicContact CE-CD2 4Å; C90-F94 WeakPolarHBondContact O-CB 3.29Å; C90-F94 PolarHBondContact O-N 3.07Å; A91-F94 PolarHBondContact O-N 2.96Å; F94-H96 VanDerWaalsContact C-N 3.32Å; F94-H96 PolarHBondContact O-N 2.95Å; F94-L97 PolarHBondContact O-N 2.84Å; F94-L98 HydrophobicContact CD1-CD1 4.33Å; F94-L98 HydrophobicContact CD2-CG 4.43Å; F94-L98 HydrophobicContact CE1-CD1 3.83Å; F94-L98 HydrophobicContact CE2-CD1 4.01Å; F94-L98 HydrophobicContact CE2-CD2 4.21Å; F94-L98 HydrophobicContact CE2-CG 4.13Å; F94-L98 HydrophobicContact CZ-CD1 3.66Å; F94-L98 HydrophobicContact CZ-CG 4.29Å; F94-L98 WeakPolarHBondContact O-CG 3.37Å; F94-L98 PolarHBondContact O-N 2.63Å; F94-L98 VanDerWaalsContact O-N 3.08Å; F94-I117 HydrophobicContact CD2-CD1 4.31Å; F94-I117 HydrophobicContact CE2-CB 4.33Å; F94-I117 HydrophobicContact CE2-CD1 4.41Å; F94-K119 HydrophobicContact CE1-CG 4.41Å; F94-C122 HydrophobicContact CE2-CB 3.83Å; F94-C122 HydrophobicContact CZ-CB 3.75Å
95I88.4Confident86.6Confident26 Ų2641 Ų4113%0.13323%0.226CC..Hα-helixtrans-64-37.9177.3-67.7-64.4000111.5A91 G92 L98 A99 N343 K344 A347A91-I95 WeakPolarHBondContact O-CB 3.25Å; A91-I95 WeakPolarHBondContact O-CG1 3.2Å; A91-I95 PolarHBondContact O-N 2.98Å; G92-I95 PolarHBondContact O-N 3.41Å; I95-L98 PolarHBondContact O-N 3.19Å; I95-A99 WeakPolarHBondContact O-CB 3.47Å; I95-A99 PolarHBondContact O-N 3.01Å; I95-N343 VanDerWaalsContact CG2-C 3.42Å; I95-N343 HydrophobicContact CG2-CB 3.75Å; I95-N343 WeakPolarHBondContact CG2-O 3.44Å; I95-K344 HydrophobicContact CG2-CB 4.43Å; I95-K344 HydrophobicContact CG2-CG 4.07Å; I95-A347 HydrophobicContact CD1-CB 4.1Å; I95-A347 HydrophobicContact CG2-CB 4.04Å
96H87.5Confident86.6Confident59 Ų5942.1 Ų42.127%0.27323%0.228SC..Hα-helixtrans-58.5-51.1174.5-168.2129.1000111.4G92 C93 F94 L98 A99 D100 R281G92-H96 WeakPolarHBondContact O-CB 3.49Å; G92-H96 PolarHBondContact O-N 3.34Å; C93-H96 WeakPolarHBondContact O-CB 3.35Å; C93-H96 PolarHBondContact O-N 3.36Å; F94-H96 VanDerWaalsContact C-N 3.32Å; F94-H96 PolarHBondContact O-N 2.95Å; H96-L98 VanDerWaalsContact C-N 3.35Å; H96-L98 PolarHBondContact O-N 3Å; H96-A99 PolarHBondContact O-N 3.25Å; H96-D100 IonicContact CD2-OD2 3.1Å; H96-D100 PolarHBondContact CD2-OD2 2.75Å; H96-D100 VanDerWaalsContact CD2-OD2 3.23Å; H96-D100 IonicContact NE2-OD2 3.32Å; H96-D100 PolarHBondContact NE2-OD2 2.81Å; H96-D100 PolarHBondContact O-N 2.76Å; H96-R281 PolarHBondContact NE2-NH2 3.16Å
97L89.6Confident86.8Confident47 Ų4745.6 Ų45.625%0.24623%0.232CC..Hα-helixtrans-61.1-42.1-179.3-70.3167.1000111.9M89 C93 F94 A99 D100 A101 P111 I117M89-L97 HydrophobicContact SD-CD1 3.91Å; C93-L97 VanDerWaalsContact O-CG 3.27Å; C93-L97 WeakPolarHBondContact O-CG 3.21Å; C93-L97 PolarHBondContact O-N 2.77Å; F94-L97 PolarHBondContact O-N 2.84Å; L97-A99 VanDerWaalsContact C-N 3.34Å; L97-D100 PolarHBondContact O-N 2.96Å; L97-A101 WeakPolarHBondContact O-CB 3.3Å; L97-A101 PolarHBondContact O-N 2.81Å; L97-P111 HydrophobicContact CD1-CG 3.6Å; L97-P111 HydrophobicContact CD2-CG 4.07Å; L97-I117 HydrophobicContact CB-CD1 4.09Å; L97-I117 HydrophobicContact CD1-CD1 4.04Å
98L90.4Very high87Confident17 Ų1743.4 Ų43.49%0.08922%0.224CC..Hα-helixtrans-62.7-42.4175.9-67.8-177.6000112F94 I95 H96 R102 A108 I117 K119 A347F94-L98 HydrophobicContact CD1-CD1 4.33Å; F94-L98 HydrophobicContact CD2-CG 4.43Å; F94-L98 HydrophobicContact CE1-CD1 3.83Å; F94-L98 HydrophobicContact CE2-CD1 4.01Å; F94-L98 HydrophobicContact CE2-CD2 4.21Å; F94-L98 HydrophobicContact CE2-CG 4.13Å; F94-L98 HydrophobicContact CZ-CD1 3.66Å; F94-L98 HydrophobicContact CZ-CG 4.29Å; F94-L98 WeakPolarHBondContact O-CG 3.37Å; F94-L98 PolarHBondContact O-N 2.63Å; F94-L98 VanDerWaalsContact O-N 3.08Å; I95-L98 PolarHBondContact O-N 3.19Å; H96-L98 VanDerWaalsContact C-N 3.35Å; H96-L98 PolarHBondContact O-N 3Å; L98-R102 WeakPolarHBondContact O-CB 3.46Å; L98-R102 PolarHBondContact O-N 2.8Å; L98-R102 VanDerWaalsContact O-N 3.08Å; L98-A108 HydrophobicContact CD2-CB 3.68Å; L98-I117 HydrophobicContact CD2-CG1 4.44Å; L98-K119 HydrophobicContact CD1-CG 3.79Å; L98-A347 HydrophobicContact CB-CB 3.71Å; L98-A347 HydrophobicContact CD1-CB 4.26Å
99A88.1Confident87.3Confident0 Ų042.2 Ų42.20%022%0.221CC..Hα-helixtrans-70.8-36.2178.600000112.2I95 H96 L97 R102 L103 N343 L346 A347I95-A99 WeakPolarHBondContact O-CB 3.47Å; I95-A99 PolarHBondContact O-N 3.01Å; H96-A99 PolarHBondContact O-N 3.25Å; L97-A99 VanDerWaalsContact C-N 3.34Å; A99-R102 WeakPolarHBondContact O-CB 3.48Å; A99-R102 PolarHBondContact O-N 2.97Å; A99-L103 WeakPolarHBondContact O-CG 3.46Å; A99-L103 PolarHBondContact O-N 2.83Å; A99-N343 HydrophobicContact CB-CB 4.18Å; A99-L346 HydrophobicContact CB-CB 3.71Å; A99-A347 HydrophobicContact CB-CB 4.44Å
100D86.9Confident87.4Confident29 Ų2941.8 Ų41.816%0.15522%0.219CC..Hα-helixtrans-61.2-51.6172.5-101-16.6000112.1H96 L97 R102 L103 K104 R281H96-D100 IonicContact CD2-OD2 3.1Å; H96-D100 PolarHBondContact CD2-OD2 2.75Å; H96-D100 VanDerWaalsContact CD2-OD2 3.23Å; H96-D100 IonicContact NE2-OD2 3.32Å; H96-D100 PolarHBondContact NE2-OD2 2.81Å; H96-D100 PolarHBondContact O-N 2.76Å; L97-D100 PolarHBondContact O-N 2.96Å; D100-R102 PolarHBondContact O-N 2.82Å; D100-L103 PolarHBondContact O-N 3.4Å; D100-K104 WeakPolarHBondContact O-CG 3.46Å; D100-K104 PolarHBondContact O-N 3.02Å; D100-R281 VanDerWaalsContact CG-NH2 3.3Å; D100-R281 IonicContact OD1-CZ 2.81Å; D100-R281 IonicContact OD1-NH2 2.75Å; D100-R281 PolarHBondContact OD1-NH2 2.92Å; D100-R281 IonicContact OD2-NH2 3.67Å
101A88Confident87.6Confident9 Ų945.3 Ų45.37%0.07424%0.242CC..Hα-helixtrans-58.3-38.3178.500000110.9L97 K104 E105 E106 A108L97-A101 WeakPolarHBondContact O-CB 3.3Å; L97-A101 PolarHBondContact O-N 2.81Å; A101-K104 PolarHBondContact O-N 2.98Å; A101-E105 PolarHBondContact O-N 2.98Å; A101-E106 CarbonylContact C-O 3.55Å; A101-E106 WeakPolarHBondContact CB-O 3.39Å; A101-E106 PolarHBondContact O-N 2.91Å; A101-A108 HydrophobicContact CB-CB 3.54Å
102R86.8Confident87.7Confident67 Ų6747.7 Ų47.725%0.25325%0.252SS..Hα-helixtrans-61.9-44.4174.3-178.461.261.7154.81.5112.5L98 A99 D100 K104 E105 R240 L248L98-R102 WeakPolarHBondContact O-CB 3.46Å; L98-R102 PolarHBondContact O-N 2.8Å; L98-R102 VanDerWaalsContact O-N 3.08Å; A99-R102 WeakPolarHBondContact O-CB 3.48Å; A99-R102 PolarHBondContact O-N 2.97Å; D100-R102 PolarHBondContact O-N 2.82Å; R102-K104 VanDerWaalsContact C-N 3.35Å; R102-E105 PolarHBondContact O-N 3.14Å; R102-R240 PolarHBondContact O-NH2 3.17Å; R102-L248 HydrophobicContact CG-CD2 3.82Å
103L84.2Confident88Confident11 Ų1148.1 Ų48.16%0.05825%0.249CC..Hα-helixtrans-67.6-37179.2-69.4170.1000112.2A99 D100 E105 L248 V268 N276A99-L103 WeakPolarHBondContact O-CG 3.46Å; A99-L103 PolarHBondContact O-N 2.83Å; D100-L103 PolarHBondContact O-N 3.4Å; L103-E105 VanDerWaalsContact C-N 3.33Å; L103-L248 HydrophobicContact CD2-CD2 3.92Å; L103-V268 HydrophobicContact CD2-CB 4.49Å; L103-V268 HydrophobicContact CD2-CG1 4.04Å; L103-N276 VanDerWaalsContact CB-OD1 3.22Å; L103-N276 WeakPolarHBondContact CB-OD1 3.24Å
104K81.8Confident88.3Confident90 Ų9055.8 Ų55.839%0.39127%0.272SS..Hα-helixtrans-81.3-7.5179.5-65.9177.2-175.7174.70114.8D100 A101 R102 E106D100-K104 WeakPolarHBondContact O-CG 3.46Å; D100-K104 PolarHBondContact O-N 3.02Å; A101-K104 PolarHBondContact O-N 2.98Å; R102-K104 VanDerWaalsContact C-N 3.35Å; K104-E106 HydrophobicContact CB-CB 4.22Å; K104-E106 HydrophobicContact CB-CG 3.91Å; K104-E106 PolarHBondContact O-N 2.93Å
105E84Confident88.5Confident106 Ų10656.7 Ų56.750%0.49528%0.279SS..THydrogen-bonded Turntrans59.333.7-170.9-167.4158.7-138.800112.8A101 R102 L103 R240 T246A101-E105 PolarHBondContact O-N 2.98Å; R102-E105 PolarHBondContact O-N 3.14Å; L103-E105 VanDerWaalsContact C-N 3.33Å; E105-R240 VanDerWaalsContact CD-CD 3.42Å; E105-R240 VanDerWaalsContact CD-CZ 3.48Å; E105-R240 VanDerWaalsContact CD-NH1 3.31Å; E105-R240 WeakPolarHBondContact OE1-CD 3.32Å; E105-R240 IonicContact OE1-CZ 3.02Å; E105-R240 IonicContact OE1-NE 3.37Å; E105-R240 IonicContact OE1-NH1 2.65Å; E105-R240 PolarHBondContact OE1-NH1 3.42Å; E105-R240 WeakPolarHBondContact OE2-CD 3.16Å; E105-R240 IonicContact OE2-CZ 3.4Å; E105-R240 IonicContact OE2-NE 3.92Å; E105-R240 PolarHBondContact OE2-NE 2.93Å; E105-T246 PolarHBondContact OE2-OG1 3.41Å
106E87.1Confident88.7Confident126 Ų12659.9 Ų59.959%0.58929%0.293SS*.  trans-109.5161.7179.9-70.6174174.100110.6A101 K104A101-E106 CarbonylContact C-O 3.55Å; A101-E106 WeakPolarHBondContact CB-O 3.39Å; A101-E106 PolarHBondContact O-N 2.91Å; K104-E106 HydrophobicContact CB-CB 4.22Å; K104-E106 HydrophobicContact CB-CG 3.91Å; K104-E106 PolarHBondContact O-N 2.93Å
107Q88.9Confident88.9Confident115 Ų11557.2 Ų57.254%0.53728%0.281SS..  trans-74.1130.2168.3-170.7172.243.100109.1T109 E116Q107-T109 PolarHBondContact O-N 3.14Å; Q107-E116 HydrophobicContact CG-CG 3.9Å; Q107-E116 PolarHBondContact NE2-OE1 2.9Å; Q107-E116 PolarHBondContact NE2-OE2 3.34Å; Q107-E116 VanDerWaalsContact NE2-OE2 3.07Å
108A92.3Very high89Confident12 Ų1256.1 Ų56.110%0.09928%0.277CS..  trans-68.2129.1175.100000109.3L98 A101 I117L98-A108 HydrophobicContact CD2-CB 3.68Å; A101-A108 HydrophobicContact CB-CB 3.54Å; A108-I117 VanDerWaalsContact C-CG1 3.49Å; A108-I117 HydrophobicContact CB-CD1 4.26Å; A108-I117 HydrophobicContact CB-CG1 3.67Å; A108-I117 WeakPolarHBondContact O-CG1 3.49Å; A108-I117 PolarHBondContact O-N 2.98Å
109T93.1Very high88.8Confident58 Ų5860.9 Ų60.936%0.35630%0.297SS..BIsolated β-bridgetrans-126.6150.7-178.254.40000111.8Q107 R114 C115Q107-T109 PolarHBondContact O-N 3.14Å; T109-R114 WeakPolarHBondContact CG2-O 3.4Å; T109-C115 CarbonylContact C-O 3.51Å; T109-C115 VanDerWaalsContact CA-O 3.3Å; T109-C115 WeakPolarHBondContact CA-O 3.28Å
110C90.3Very high88.7Confident2 Ų266 Ų661%0.01433%0.333CS..  trans-63129174.4178.90000109.8C83 N112 R114 C115 I117C83-C110 HydrophobicContact CB-CB 4.3Å; C110-N112 PolarHBondContact O-N 3.1Å; C110-N112 VanDerWaalsContact O-N 3.17Å; C110-R114 WeakPolarHBondContact O-CA 3.41Å; C110-R114 PolarHBondContact O-N 2.91Å; C110-C115 PolarHBondContact N-O 3.42Å; C110-I117 HydrophobicContact CB-CG2 3.89Å
111P89.2Confident88.8Confident80 Ų8067.9 Ų67.952%0.51934%0.342SS..THydrogen-bonded Turntrans-61.6-26.5179.1-24.934.3000113.9L97L97-P111 HydrophobicContact CD1-CG 3.6Å; L97-P111 HydrophobicContact CD2-CG 4.07Å
112N88Confident88.8Confident68 Ų6867.8 Ų67.836%0.36434%0.341SS..THydrogen-bonded Turntrans-86.6-53.5-178-156.161.7000112.4H87 C110H87-N112 HydrophobicContact CB-CB 4.35Å; H87-N112 PolarHBondContact CD2-ND2 3.14Å; H87-N112 PolarHBondContact NE2-ND2 3.28Å; C110-N112 PolarHBondContact O-N 3.1Å; C110-N112 VanDerWaalsContact O-N 3.17Å
113C89.5Confident88.7Confident41 Ų4167.8 Ų67.828%0.27735%0.35SS..THydrogen-bonded Turntrans-114.32.7-17368.30000115.3H87 C115H87-C113 WeakPolarHBondContact CE1-CB 3.46Å; H87-C113 PolarHBondContact ND1-SG 3.05Å; C113-C115 PolarHBondContact O-N 3.37Å; C113-C115 PolarHBondContact SG-SG 3.19Å
114R91.7Very high88.8Confident205 Ų20572.9 Ų72.977%0.77437%0.369SS*.  trans59.19.6176.8-54.1177.9-178-119.20.5116.2T109 C110T109-R114 WeakPolarHBondContact CG2-O 3.4Å; C110-R114 WeakPolarHBondContact O-CA 3.41Å; C110-R114 PolarHBondContact O-N 2.91Å
115C91.9Very high88.9Confident23 Ų2369.4 Ų69.416%0.15536%0.355CS..  trans-62.9152.5171.473.90000109.9C83 T109 C110 C113 I117C83-C115 VanDerWaalsContact CB-SG 3.59Å; T109-C115 CarbonylContact C-O 3.51Å; T109-C115 VanDerWaalsContact CA-O 3.3Å; T109-C115 WeakPolarHBondContact CA-O 3.28Å; C110-C115 PolarHBondContact N-O 3.42Å; C113-C115 PolarHBondContact O-N 3.37Å; C113-C115 PolarHBondContact SG-SG 3.19Å; C115-I117 PolarHBondContact O-N 3.41Å
116E93.3Very high88.7Confident92 Ų9269.8 Ų69.843%0.4336%0.359SS..BIsolated β-bridgetrans-57.9136.6174.4-178.9177.1-163.100110.7Q107 L121Q107-E116 HydrophobicContact CG-CG 3.9Å; Q107-E116 PolarHBondContact NE2-OE1 2.9Å; Q107-E116 PolarHBondContact NE2-OE2 3.34Å; Q107-E116 VanDerWaalsContact NE2-OE2 3.07Å; E116-L121 HydrophobicContact CB-CD1 4.19Å; E116-L121 HydrophobicContact CG-CD1 3.74Å
117I92.8Very high88.2Confident4 Ų467.2 Ų67.22%0.02136%0.36CS..  trans-123140173.962.3170.2000110.1C83 M89 F94 L97 L98 A108 C110 C115C83-I117 HydrophobicContact CB-CG2 4.05Å; M89-I117 HydrophobicContact CE-CD1 4.44Å; M89-I117 HydrophobicContact CE-CG2 4.17Å; M89-I117 HydrophobicContact SD-CD1 4.2Å; F94-I117 HydrophobicContact CD2-CD1 4.31Å; F94-I117 HydrophobicContact CE2-CB 4.33Å; F94-I117 HydrophobicContact CE2-CD1 4.41Å; L97-I117 HydrophobicContact CB-CD1 4.09Å; L97-I117 HydrophobicContact CD1-CD1 4.04Å; L98-I117 HydrophobicContact CD2-CG1 4.44Å; A108-I117 VanDerWaalsContact C-CG1 3.49Å; A108-I117 HydrophobicContact CB-CD1 4.26Å; A108-I117 HydrophobicContact CB-CG1 3.67Å; A108-I117 WeakPolarHBondContact O-CG1 3.49Å; A108-I117 PolarHBondContact O-N 2.98Å; C110-I117 HydrophobicContact CB-CG2 3.89Å; C115-I117 PolarHBondContact O-N 3.41Å
118S90.6Very high87.8Confident24 Ų2463.2 Ų63.217%0.16834%0.343CS..  trans-159.1165.7176.370.90000110S120 L121 C122S118-S120 PolarHBondContact O-N 2.74Å; S118-S120 VanDerWaalsContact O-N 3.11Å; S118-S120 PolarHBondContact OG-N 2.98Å; S118-S120 PolarHBondContact OG-OG 2.86Å; S118-S120 VanDerWaalsContact OG-OG 3.08Å; S118-L121 PolarHBondContact O-N 3.1Å; S118-L121 WeakPolarHBondContact OG-CB 3.44Å; S118-L121 VanDerWaalsContact OG-CG 3.31Å; S118-L121 WeakPolarHBondContact OG-CG 3.43Å; S118-L121 PolarHBondContact OG-N 2.94Å; S118-C122 WeakPolarHBondContact O-CB 3.02Å; S118-C122 PolarHBondContact O-N 3.46Å
119K86.6Confident87.3Confident117 Ų11763.6 Ų63.651%0.50934%0.343SS..THydrogen-bonded Turntrans-59.6-20.2176.3-66.1-173.2179.7-176.30113.5F94 L98F94-K119 HydrophobicContact CE1-CG 4.41Å; L98-K119 HydrophobicContact CD1-CG 3.79Å
120S86.8Confident86.7Confident107 Ų10767.9 Ų67.975%0.74836%0.357SS*.THydrogen-bonded Turntrans-95.8-23.7177.951.70000113.9S118S118-S120 PolarHBondContact O-N 2.74Å; S118-S120 VanDerWaalsContact O-N 3.11Å; S118-S120 PolarHBondContact OG-N 2.98Å; S118-S120 PolarHBondContact OG-OG 2.86Å; S118-S120 VanDerWaalsContact OG-OG 3.08Å
121L87.8Confident86.2Confident68 Ų6870.6 Ų70.636%0.35638%0.38SS..THydrogen-bonded Turntrans-92.2-32-179.8-69171.1000112.5T84 E116 S118T84-L121 HydrophobicContact CG2-CB 4.5Å; E116-L121 HydrophobicContact CB-CD1 4.19Å; E116-L121 HydrophobicContact CG-CD1 3.74Å; S118-L121 PolarHBondContact O-N 3.1Å; S118-L121 WeakPolarHBondContact OG-CB 3.44Å; S118-L121 VanDerWaalsContact OG-CG 3.31Å; S118-L121 WeakPolarHBondContact OG-CG 3.43Å; S118-L121 PolarHBondContact OG-N 2.94Å
122C87.9Confident85.9Confident7 Ų767.9 Ų67.95%0.04736%0.362CS..  trans-92.4131.9179.6-68.40000110.5H81 W82 F94 S118H81-C122 HydrophobicContact CB-CB 4.48Å; W82-C122 VanDerWaalsContact O-CA 3.24Å; W82-C122 WeakPolarHBondContact O-CA 3.49Å; W82-C122 WeakPolarHBondContact O-CB 3.44Å; W82-C122 PolarHBondContact O-SG 2.9Å; F94-C122 HydrophobicContact CE2-CB 3.83Å; F94-C122 HydrophobicContact CZ-CB 3.75Å; S118-C122 WeakPolarHBondContact O-CB 3.02Å; S118-C122 PolarHBondContact O-N 3.46Å
123C85.4Confident85.6Confident67 Ų6765.7 Ų65.745%0.45335%0.352SS..EExtended strand (participates in β ladder)trans-107.3148.7176.6-57.30000110.7H81 W82H81-C123 VanDerWaalsContact CA-O 3.31Å; H81-C123 WeakPolarHBondContact CA-O 3.37Å; W82-C123 PolarHBondContact N-O 3.48Å
124R86.3Confident85.3Confident119 Ų11967.5 Ų67.545%0.44936%0.356SS..EExtended strand (participates in β ladder)trans-70.2132.3170.8-172.8177169.41680.1110.1D79 F80 L126 E129D79-R124 IonicContact OD1-CZ 2.63Å; D79-R124 IonicContact OD1-NE 3.15Å; D79-R124 IonicContact OD1-NH1 3.33Å; D79-R124 PolarHBondContact OD1-NH1 3.24Å; D79-R124 IonicContact OD1-NH2 3.26Å; D79-R124 PolarHBondContact OD1-NH2 3.49Å; D79-R124 IonicContact OD2-NH1 3.71Å; F80-R124 CarbonylContact O-C 3.6Å; F80-R124 VanDerWaalsContact O-CA 3.31Å; F80-R124 WeakPolarHBondContact O-CA 3.47Å; R124-L126 HydrophobicContact CG-CD2 4.19Å; R124-E129 WeakPolarHBondContact CD-OE1 3.23Å; R124-E129 WeakPolarHBondContact CG-OE1 3.44Å; R124-E129 IonicContact CZ-OE1 2.58Å; R124-E129 IonicContact CZ-OE2 3.9Å; R124-E129 IonicContact NE-OE1 2.77Å; R124-E129 PolarHBondContact NE-OE1 3.29Å; R124-E129 IonicContact NE-OE2 2.9Å; R124-E129 PolarHBondContact NE-OE2 2.82Å; R124-E129 IonicContact NH2-OE1 3.72Å; R124-E129 IonicContact NH2-OE2 2.72Å; R124-E129 PolarHBondContact NH2-OE2 3.37Å
125N82.8Confident85Confident17 Ų1760.1 Ų60.19%0.09133%0.332CS..  trans-106.888.3-177.8-173.8-19.5000111.1F80 W82 A127 V128 E129F80-N125 PolarHBondContact O-N 3.38Å; W82-N125 HydrophobicContact CD2-CB 4.44Å; W82-N125 HydrophobicContact CE3-CB 4.08Å; W82-N125 HydrophobicContact CZ3-CB 4.37Å; W82-N125 WeakPolarHBondContact CZ3-ND2 3.27Å; N125-A127 PolarHBondContact O-N 3.09Å; N125-A127 WeakPolarHBondContact OD1-CB 3.49Å; N125-A127 PolarHBondContact OD1-N 3.21Å; N125-A127 VanDerWaalsContact OD1-N 3.14Å; N125-V128 HydrophobicContact CB-CB 4.29Å; N125-V128 HydrophobicContact CB-CG2 4.44Å; N125-V128 WeakPolarHBondContact ND2-CG2 3.36Å; N125-V128 PolarHBondContact O-N 3.06Å; N125-V128 PolarHBondContact OD1-N 3.28Å; N125-E129 WeakPolarHBondContact O-CG 3.4Å; N125-E129 PolarHBondContact O-N 3.24Å; N125-E129 VanDerWaalsContact O-N 3.1Å
126L79.9Confident84.8Confident113 Ų11362.2 Ų62.259%0.59235%0.345SS*.Hα-helixtrans-61.5-28.3179.8-57.5-179.5000113.4R124 E129 K130R124-L126 HydrophobicContact CG-CD2 4.19Å; L126-E129 WeakPolarHBondContact CD2-OE2 3.26Å; L126-E129 PolarHBondContact O-N 3.05Å; L126-K130 WeakPolarHBondContact O-CB 3.05Å; L126-K130 PolarHBondContact O-N 3.4Å
127A76.5Confident84.5Confident73 Ų7359.6 Ų59.660%0.60334%0.337SS*.Hα-helixtrans-70.2-42.6179.600000111.2N125 K130 A131N125-A127 PolarHBondContact O-N 3.09Å; N125-A127 WeakPolarHBondContact OD1-CB 3.49Å; N125-A127 PolarHBondContact OD1-N 3.21Å; N125-A127 VanDerWaalsContact OD1-N 3.14Å; A127-K130 PolarHBondContact O-N 3.45Å; A127-A131 WeakPolarHBondContact O-CB 3.31Å; A127-A131 PolarHBondContact O-N 3.35Å
128V82.3Confident84.4Confident31 Ų3164.9 Ų64.919%0.18836%0.361CS..Hα-helixtrans-65.3-42.9173.6168.30000110.4F80 L88 N125 K130 A131 V132F80-V128 HydrophobicContact CB-CG1 4.07Å; F80-V128 HydrophobicContact CD1-CG1 4.32Å; F80-V128 HydrophobicContact CD2-CG1 4.08Å; F80-V128 HydrophobicContact CG-CG1 3.89Å; L88-V128 HydrophobicContact CD1-CG1 4.07Å; L88-V128 HydrophobicContact CD1-CG2 3.96Å; L88-V128 HydrophobicContact CD2-CG1 4.47Å; L88-V128 HydrophobicContact CD2-CG2 4.01Å; N125-V128 HydrophobicContact CB-CB 4.29Å; N125-V128 HydrophobicContact CB-CG2 4.44Å; N125-V128 WeakPolarHBondContact ND2-CG2 3.36Å; N125-V128 PolarHBondContact O-N 3.06Å; N125-V128 PolarHBondContact OD1-N 3.28Å; V128-K130 VanDerWaalsContact C-N 3.32Å; V128-K130 PolarHBondContact O-N 2.77Å; V128-A131 PolarHBondContact O-N 3.5Å; V128-V132 HydrophobicContact CG1-CG2 4.11Å; V128-V132 WeakPolarHBondContact O-CB 3.49Å; V128-V132 VanDerWaalsContact O-CG2 3.25Å; V128-V132 WeakPolarHBondContact O-CG2 3.29Å; V128-V132 PolarHBondContact O-N 2.87Å
129E81.4Confident84.4Confident20 Ų2063.8 Ų63.89%0.09335%0.353CS..Hα-helixtrans-57.1-46.8176.2-68.7170.9-16500111.9F78 D79 F80 R124 N125 L126 V132 S133F78-E129 WeakPolarHBondContact O-CG 3.15Å; D79-E129 VanDerWaalsContact CA-OE1 3.31Å; D79-E129 WeakPolarHBondContact CA-OE1 3.26Å; F80-E129 HydrophobicContact CB-CG 4.22Å; F80-E129 HydrophobicContact CD2-CG 3.83Å; F80-E129 PolarHBondContact N-OE1 3.35Å; R124-E129 WeakPolarHBondContact CD-OE1 3.23Å; R124-E129 WeakPolarHBondContact CG-OE1 3.44Å; R124-E129 IonicContact CZ-OE1 2.58Å; R124-E129 IonicContact CZ-OE2 3.9Å; R124-E129 IonicContact NE-OE1 2.77Å; R124-E129 PolarHBondContact NE-OE1 3.29Å; R124-E129 IonicContact NE-OE2 2.9Å; R124-E129 PolarHBondContact NE-OE2 2.82Å; R124-E129 IonicContact NH2-OE1 3.72Å; R124-E129 IonicContact NH2-OE2 2.72Å; R124-E129 PolarHBondContact NH2-OE2 3.37Å; N125-E129 WeakPolarHBondContact O-CG 3.4Å; N125-E129 PolarHBondContact O-N 3.24Å; N125-E129 VanDerWaalsContact O-N 3.1Å; L126-E129 WeakPolarHBondContact CD2-OE2 3.26Å; L126-E129 PolarHBondContact O-N 3.05Å; E129-V132 PolarHBondContact O-N 2.91Å; E129-S133 WeakPolarHBondContact O-CB 3.08Å; E129-S133 PolarHBondContact O-N 3.2Å
130K79.6Confident84.5Confident147 Ų14761.1 Ų61.164%0.63936%0.36SS*.Hα-helixtrans-65-39.8176.5-170.2171.6-176176.40112.2L126 A127 V128 S133 E134L126-K130 WeakPolarHBondContact O-CB 3.05Å; L126-K130 PolarHBondContact O-N 3.4Å; A127-K130 PolarHBondContact O-N 3.45Å; V128-K130 VanDerWaalsContact C-N 3.32Å; V128-K130 PolarHBondContact O-N 2.77Å; K130-S133 WeakPolarHBondContact CA-OG 3.37Å; K130-S133 PolarHBondContact O-N 3.46Å; K130-S133 PolarHBondContact O-OG 3.4Å; K130-E134 WeakPolarHBondContact O-CG 2.92Å; K130-E134 PolarHBondContact O-N 3.5Å
131A81Confident84.6Confident60 Ų6060.4 Ų60.450%0.49634%0.343SS..Hα-helixtrans-64.6-43.1176.200000111.6A127 V128 S133 E134A127-A131 WeakPolarHBondContact O-CB 3.31Å; A127-A131 PolarHBondContact O-N 3.35Å; V128-A131 PolarHBondContact O-N 3.5Å; A131-S133 VanDerWaalsContact C-N 3.34Å; A131-E134 PolarHBondContact O-N 3.34Å
132V82.6Confident84.8Confident23 Ų2358.2 Ų58.214%0.13933%0.333CS..Hα-helixtrans-67-35.6178.5173.20000111.3L75 F80 V128 E129 E134 L135L75-V132 HydrophobicContact CD2-CG1 4.14Å; F80-V132 HydrophobicContact CE2-CB 4.1Å; F80-V132 HydrophobicContact CE2-CG1 3.95Å; F80-V132 HydrophobicContact CE2-CG2 3.97Å; F80-V132 HydrophobicContact CZ-CG1 4.2Å; F80-V132 HydrophobicContact CZ-CG2 4.17Å; V128-V132 HydrophobicContact CG1-CG2 4.11Å; V128-V132 WeakPolarHBondContact O-CB 3.49Å; V128-V132 VanDerWaalsContact O-CG2 3.25Å; V128-V132 WeakPolarHBondContact O-CG2 3.29Å; V128-V132 PolarHBondContact O-N 2.87Å; E129-V132 PolarHBondContact O-N 2.91Å; V132-E134 PolarHBondContact O-N 3.36Å; V132-L135 HydrophobicContact CG1-CD1 4.44Å; V132-L135 WeakPolarHBondContact O-CB 3.16Å; V132-L135 PolarHBondContact O-N 3.15Å
133S80.2Confident84.9Confident22 Ų2263.8 Ų63.815%0.15436%0.362CS..Hα-helixtrans-66.4-25.3177.573.60000113.1E129 K130 A131 R148 S149E129-S133 WeakPolarHBondContact O-CB 3.08Å; E129-S133 PolarHBondContact O-N 3.2Å; K130-S133 WeakPolarHBondContact CA-OG 3.37Å; K130-S133 PolarHBondContact O-N 3.46Å; K130-S133 PolarHBondContact O-OG 3.4Å; A131-S133 VanDerWaalsContact C-N 3.34Å; S133-R148 CarbonylContact O-C 3.59Å; S133-R148 WeakPolarHBondContact O-CB 3.4Å; S133-R148 PolarHBondContact O-N 3.08Å; S133-S149 PolarHBondContact O-N 3.17Å; S133-S149 PolarHBondContact O-OG 3.46Å
134E83.6Confident85.2Confident79 Ų7968.9 Ų68.937%0.36937%0.372SS..THydrogen-bonded Turntrans-86.7-7177.2-63.2-55.2124.300113.3K130 A131 V132 S149K130-E134 WeakPolarHBondContact O-CG 2.92Å; K130-E134 PolarHBondContact O-N 3.5Å; A131-E134 PolarHBondContact O-N 3.34Å; V132-E134 PolarHBondContact O-N 3.36Å; E134-S149 PolarHBondContact OE1-OG 3.45Å
135L85.8Confident85.4Confident50 Ų5069.3 Ų69.326%0.26238%0.379SS..SBendtrans-65.1143.4176.9-67.7176.4000110.8F40 V132 R148F40-L135 HydrophobicContact CZ-CD2 4.03Å; V132-L135 HydrophobicContact CG1-CD1 4.44Å; V132-L135 WeakPolarHBondContact O-CB 3.16Å; V132-L135 PolarHBondContact O-N 3.15Å; L135-R148 WeakPolarHBondContact O-CG 3.4Å; L135-R148 PolarHBondContact O-N 3.34Å
136P86.9Confident85.6Confident66 Ų6670.8 Ų70.843%0.42938%0.384SS..EExtended strand (participates in β ladder)trans-66.7140.817728.1-33.8000110.6F146P136-F146 CarbonylContact C-O 3.58Å; P136-F146 WeakPolarHBondContact CA-O 3.48Å
137S87.3Confident86Confident38 Ų3867.3 Ų67.327%0.26637%0.369SS..EExtended strand (participates in β ladder)trans-144146.2171-170.50000109.8Q145 F146S137-Q145 WeakPolarHBondContact O-CA 3.4Å; S137-F146 PolarHBondContact N-O 3.48Å; S137-F146 PolarHBondContact O-N 2.81Å; S137-F146 VanDerWaalsContact O-O 3.12Å
138E90.5Very high86.4Confident114 Ų11466.1 Ų66.153%0.53335%0.349SS..EExtended strand (participates in β ladder)trans-80.4140.5-179.1-67.6174.1-177.300111.3R144 Q145E138-R144 WeakPolarHBondContact CA-O 3.4Å; E138-Q145 HydrophobicContact CG-CG 3.9Å
139C90.8Very high86.5Confident1 Ų167.2 Ų67.21%0.00736%0.357CS..  trans-71.3125.7169-179.50000110.2F141 C142 L143 R144 F146 L151 H154C139-F141 PolarHBondContact O-N 3.28Å; C139-C142 VanDerWaalsContact CB-SG 3.54Å; C139-C142 VanDerWaalsContact SG-SG 3.69Å; C139-L143 WeakPolarHBondContact O-CA 3.43Å; C139-L143 PolarHBondContact O-N 2.79Å; C139-R144 PolarHBondContact N-O 3.36Å; C139-F146 HydrophobicContact CB-CD2 4.23Å; C139-F146 HydrophobicContact CB-CE2 4.19Å; C139-L151 HydrophobicContact CB-CD1 4.09Å; C139-H154 VanDerWaalsContact SG-CD2 3.53Å
140G88.8Confident86.8Confident62 Ų6269.3 Ų69.364%0.63937%0.369SS*.THydrogen-bonded Turntrans-64.2-7.4177.700000115.5
141F90.2Very high87.2Confident91 Ų9163.4 Ų63.440%0.39934%0.344SS..THydrogen-bonded Turntrans-104.4-59.4177.3-53.3-64.8000112.1C139 Q155 D161 R162 V163C139-F141 PolarHBondContact O-N 3.28Å; F141-Q155 HydrophobicContact CD2-CB 4.35Å; F141-Q155 HydrophobicContact CD2-CG 4.01Å; F141-Q155 HydrophobicContact CE2-CB 3.96Å; F141-Q155 HydrophobicContact CE2-CG 3.93Å; F141-D161 HydrophobicContact CB-CB 3.86Å; F141-R162 HydrophobicContact CD2-CB 4.49Å; F141-V163 HydrophobicContact CD1-CG2 4.47Å; F141-V163 HydrophobicContact CE1-CG2 3.97Å
142C90.6Very high87.5Confident23 Ų2365.6 Ų65.616%0.15534%0.344CS..THydrogen-bonded Turntrans-96.6-2.3-174.471.50000114.3C139 R144 H154 D161C139-C142 VanDerWaalsContact CB-SG 3.54Å; C139-C142 VanDerWaalsContact SG-SG 3.69Å; C142-R144 PolarHBondContact O-N 3.03Å; C142-H154 PolarHBondContact SG-NE2 3.4Å; C142-H154 VanDerWaalsContact SG-NE2 3.39Å; C142-D161 WeakPolarHBondContact CA-OD2 3.43Å; C142-D161 HydrophobicContact CB-CB 4.34Å; C142-D161 WeakPolarHBondContact CB-OD2 3.38Å
143L91.5Very high87.9Confident123 Ų12370.3 Ų70.364%0.64436%0.36SS*.  trans58.110.3-179.9-54.8175.5000115.5C139C139-L143 WeakPolarHBondContact O-CA 3.43Å; C139-L143 PolarHBondContact O-N 2.79Å
144R89.8Confident88.4Confident175 Ų17569.9 Ų69.966%0.6636%0.355SS*.  trans-79.1149.5174.7-62.5179.7-170.8-179.82.8110.8E138 C139 C142 F146E138-R144 WeakPolarHBondContact CA-O 3.4Å; C139-R144 PolarHBondContact N-O 3.36Å; C142-R144 PolarHBondContact O-N 3.03Å; R144-F146 HydrophobicContact CB-CD2 4.42Å; R144-F146 HydrophobicContact CB-CE2 3.61Å; R144-F146 HydrophobicContact CB-CZ 4.04Å; R144-F146 WeakPolarHBondContact O-CD2 3.41Å
145Q91.3Very high88.7Confident127 Ų12769 Ų6959%0.59335%0.351SS*.EExtended strand (participates in β ladder)trans-84.2132.3178.6-68.1-174.6-7.200111.5S137 E138S137-Q145 WeakPolarHBondContact O-CA 3.4Å; E138-Q145 HydrophobicContact CG-CG 3.9Å
146F88Confident88.8Confident48 Ų4872.8 Ų72.821%0.21137%0.365CS..EExtended strand (participates in β ladder)trans-135.6155.4173.3-62.4-86.2000109.9P136 S137 C139 R144 R148 L151 H154P136-F146 CarbonylContact C-O 3.58Å; P136-F146 WeakPolarHBondContact CA-O 3.48Å; S137-F146 PolarHBondContact N-O 3.48Å; S137-F146 PolarHBondContact O-N 2.81Å; S137-F146 VanDerWaalsContact O-O 3.12Å; C139-F146 HydrophobicContact CB-CD2 4.23Å; C139-F146 HydrophobicContact CB-CE2 4.19Å; R144-F146 HydrophobicContact CB-CD2 4.42Å; R144-F146 HydrophobicContact CB-CE2 3.61Å; R144-F146 HydrophobicContact CB-CZ 4.04Å; R144-F146 WeakPolarHBondContact O-CD2 3.41Å; F146-R148 PolarHBondContact O-N 3.25Å; F146-L151 HydrophobicContact CB-CD1 4.16Å; F146-L151 HydrophobicContact CD2-CD1 4.21Å; F146-H154 AromaticContact CD2-CD2 3.88Å; F146-H154 AromaticContact CE1-ND1 3.92Å; F146-H154 AromaticContact CE2-CD2 3.5Å; F146-H154 AromaticContact CE2-CE1 3.58Å; F146-H154 AromaticContact CE2-CG 3.87Å; F146-H154 AromaticContact CE2-ND1 3.91Å; F146-H154 AromaticContact CE2-NE2 3.32Å; F146-H154 VanDerWaalsContact CE2-NE2 3.32Å; F146-H154 WeakPolarHBondContact CE2-NE2 3.26Å; F146-H154 AromaticContact CZ-CD2 3.98Å; F146-H154 AromaticContact CZ-CE1 3.32Å; F146-H154 WeakPolarHBondContact CZ-CE1 3.49Å; F146-H154 AromaticContact CZ-CG 3.95Å; F146-H154 AromaticContact CZ-ND1 3.56Å; F146-H154 AromaticContact CZ-NE2 3.61Å
147P87.4Confident88.9Confident40 Ų4076 Ų7626%0.2637%0.374SS..EExtended strand (participates in β ladder)trans-54.1137.8163.5-22.333.6000110S149 L150 L151P147-S149 PolarHBondContact O-N 3.45Å; P147-S149 VanDerWaalsContact O-N 3.17Å; P147-L150 HydrophobicContact CB-CG 4.41Å; P147-L150 HydrophobicContact CG-CD1 4.13Å; P147-L150 PolarHBondContact O-N 3.33Å; P147-L151 PolarHBondContact O-N 3.26Å; P147-L151 VanDerWaalsContact O-N 3.14Å
148R85.9Confident89.1Confident49 Ų4978.2 Ų78.219%0.18538%0.381CS..Hα-helixtrans-54.6-35.7178.9-73.2176.8-167.6172.45.5112.8L75 S133 L135 F146 L150 L151L75-R148 PolarHBondContact O-NH1 3.12Å; L75-R148 VanDerWaalsContact O-NH1 3.1Å; S133-R148 CarbonylContact O-C 3.59Å; S133-R148 WeakPolarHBondContact O-CB 3.4Å; S133-R148 PolarHBondContact O-N 3.08Å; L135-R148 WeakPolarHBondContact O-CG 3.4Å; L135-R148 PolarHBondContact O-N 3.34Å; F146-R148 PolarHBondContact O-N 3.25Å; R148-L150 PolarHBondContact O-N 3.4Å; R148-L151 WeakPolarHBondContact O-CB 3.43Å; R148-L151 PolarHBondContact O-N 3.16Å
149S82.9Confident89.2Confident53 Ų5372.8 Ų72.837%0.37136%0.355SS..Hα-helixtrans-58.2-29.917655.90000113.4S133 E134 P147S133-S149 PolarHBondContact O-N 3.17Å; S133-S149 PolarHBondContact O-OG 3.46Å; E134-S149 PolarHBondContact OE1-OG 3.45Å; P147-S149 PolarHBondContact O-N 3.45Å; P147-S149 VanDerWaalsContact O-N 3.17Å
150L87.6Confident89.2Confident65 Ų6577.6 Ų77.634%0.3438%0.378SS..Hα-helixtrans-99.4-13-179.2-59.8-178000113.1P147 R148 E152 R153 H154P147-L150 HydrophobicContact CB-CG 4.41Å; P147-L150 HydrophobicContact CG-CD1 4.13Å; P147-L150 PolarHBondContact O-N 3.33Å; R148-L150 PolarHBondContact O-N 3.4Å; L150-E152 PolarHBondContact O-N 3.17Å; L150-R153 PolarHBondContact O-N 3.08Å; L150-H154 WeakPolarHBondContact O-CB 3.33Å; L150-H154 PolarHBondContact O-N 3.24Å
151L88.7Confident89.3Confident22 Ų2277.3 Ų77.312%0.11536%0.361CS..Hα-helixtrans-62.9-42.1-171.2-167.968.4000112.5C139 F146 P147 R148 H154 Q155C139-L151 HydrophobicContact CB-CD1 4.09Å; F146-L151 HydrophobicContact CB-CD1 4.16Å; F146-L151 HydrophobicContact CD2-CD1 4.21Å; P147-L151 PolarHBondContact O-N 3.26Å; P147-L151 VanDerWaalsContact O-N 3.14Å; R148-L151 WeakPolarHBondContact O-CB 3.43Å; R148-L151 PolarHBondContact O-N 3.16Å; L151-H154 PolarHBondContact O-N 3.09Å; L151-Q155 WeakPolarHBondContact O-CB 3.31Å; L151-Q155 VanDerWaalsContact O-CG 3.26Å; L151-Q155 WeakPolarHBondContact O-CG 3.45Å; L151-Q155 PolarHBondContact O-N 3.41Å
152E87.1Confident89.4Confident106 Ų10674.7 Ų74.750%0.49535%0.349SS..Hα-helixtrans-64.5-46.2179.3-173.6-179175.400111.5L150 H154 Q155 K156L150-E152 PolarHBondContact O-N 3.17Å; E152-H154 VanDerWaalsContact C-N 3.34Å; E152-Q155 PolarHBondContact O-N 3.21Å; E152-K156 HydrophobicContact CG-CD 4.09Å; E152-K156 WeakPolarHBondContact O-CB 3.35Å; E152-K156 WeakPolarHBondContact O-CG 3.39Å; E152-K156 PolarHBondContact O-N 3.43Å; E152-K156 WeakPolarHBondContact OE1-CE 3.29Å; E152-K156 IonicContact OE1-NZ 3.03Å; E152-K156 PolarHBondContact OE1-NZ 3.48Å
153R90.1Very high89.4Confident123 Ų12377.9 Ų77.946%0.46437%0.368SS..Hα-helixtrans-62.7-44176.1-170-179.273.8-164.1-0.5110.8L150 Q155 K156 E157 E158L150-R153 PolarHBondContact O-N 3.08Å; R153-Q155 PolarHBondContact O-N 3.09Å; R153-K156 PolarHBondContact O-N 3.16Å; R153-E157 WeakPolarHBondContact O-CB 3.38Å; R153-E157 PolarHBondContact O-N 2.83Å; R153-E158 IonicContact CZ-OE1 3.31Å; R153-E158 VanDerWaalsContact CZ-OE1 3.31Å; R153-E158 IonicContact NE-OE1 2.79Å; R153-E158 PolarHBondContact NE-OE1 3.35Å; R153-E158 IonicContact NH2-OE1 3.09Å; R153-E158 PolarHBondContact NH2-OE1 2.94Å; R153-E158 VanDerWaalsContact NH2-OE1 3.09Å
154H90.9Very high89.5Confident13 Ų1373 Ų736%0.0634%0.343CS..Iπ-helixtrans-56.9-52.3175.9174.972.3000111.3C139 C142 F146 L150 L151 E152 K156 E158 C159C139-H154 VanDerWaalsContact SG-CD2 3.53Å; C142-H154 PolarHBondContact SG-NE2 3.4Å; C142-H154 VanDerWaalsContact SG-NE2 3.39Å; F146-H154 AromaticContact CD2-CD2 3.88Å; F146-H154 AromaticContact CE1-ND1 3.92Å; F146-H154 AromaticContact CE2-CD2 3.5Å; F146-H154 AromaticContact CE2-CE1 3.58Å; F146-H154 AromaticContact CE2-CG 3.87Å; F146-H154 AromaticContact CE2-ND1 3.91Å; F146-H154 AromaticContact CE2-NE2 3.32Å; F146-H154 VanDerWaalsContact CE2-NE2 3.32Å; F146-H154 WeakPolarHBondContact CE2-NE2 3.26Å; F146-H154 AromaticContact CZ-CD2 3.98Å; F146-H154 AromaticContact CZ-CE1 3.32Å; F146-H154 WeakPolarHBondContact CZ-CE1 3.49Å; F146-H154 AromaticContact CZ-CG 3.95Å; F146-H154 AromaticContact CZ-ND1 3.56Å; F146-H154 AromaticContact CZ-NE2 3.61Å; L150-H154 WeakPolarHBondContact O-CB 3.33Å; L150-H154 PolarHBondContact O-N 3.24Å; L151-H154 PolarHBondContact O-N 3.09Å; E152-H154 VanDerWaalsContact C-N 3.34Å; H154-K156 VanDerWaalsContact C-N 3.31Å; H154-K156 PolarHBondContact O-N 3.33Å; H154-E158 IonicContact ND1-OE2 3.93Å; H154-E158 PolarHBondContact O-N 3.22Å; H154-C159 VanDerWaalsContact NE2-CB 3.31Å; H154-C159 WeakPolarHBondContact NE2-CB 3.46Å; H154-C159 PolarHBondContact NE2-SG 3.46Å; H154-C159 VanDerWaalsContact NE2-SG 3.4Å; H154-C159 WeakPolarHBondContact O-CB 3.5Å; H154-C159 PolarHBondContact O-N 3.32Å
155Q90.1Very high89.7Confident60 Ų6069.3 Ų69.328%0.2833%0.333SS..Iπ-helixtrans-61.4-36.5-179.1-76.4176.5-6.500113.1F141 L151 E152 R153 R162F141-Q155 HydrophobicContact CD2-CB 4.35Å; F141-Q155 HydrophobicContact CD2-CG 4.01Å; F141-Q155 HydrophobicContact CE2-CB 3.96Å; F141-Q155 HydrophobicContact CE2-CG 3.93Å; L151-Q155 WeakPolarHBondContact O-CB 3.31Å; L151-Q155 VanDerWaalsContact O-CG 3.26Å; L151-Q155 WeakPolarHBondContact O-CG 3.45Å; L151-Q155 PolarHBondContact O-N 3.41Å; E152-Q155 PolarHBondContact O-N 3.21Å; R153-Q155 PolarHBondContact O-N 3.09Å; Q155-R162 WeakPolarHBondContact O-CB 3.22Å
156K88.2Confident89.8Confident130 Ų13063.4 Ų63.457%0.56531%0.306SS*.Iπ-helixtrans-81.1-39.7-178.6-74178.9175.2175.70113.7E152 R153 H154 R162E152-K156 HydrophobicContact CG-CD 4.09Å; E152-K156 WeakPolarHBondContact O-CB 3.35Å; E152-K156 WeakPolarHBondContact O-CG 3.39Å; E152-K156 PolarHBondContact O-N 3.43Å; E152-K156 WeakPolarHBondContact OE1-CE 3.29Å; E152-K156 IonicContact OE1-NZ 3.03Å; E152-K156 PolarHBondContact OE1-NZ 3.48Å; R153-K156 PolarHBondContact O-N 3.16Å; H154-K156 VanDerWaalsContact C-N 3.31Å; H154-K156 PolarHBondContact O-N 3.33Å; K156-R162 VanDerWaalsContact O-CD 3.28Å; K156-R162 WeakPolarHBondContact O-CD 3.32Å; K156-R162 PolarHBondContact O-NE 2.86Å
157E89.9Confident89.9Confident132 Ų13266.2 Ų66.262%0.61732%0.318SS*.Iπ-helixtrans-122.3-39.1-163.1-62.7176.7-17200113.5R153 R162R153-E157 WeakPolarHBondContact O-CB 3.38Å; R153-E157 PolarHBondContact O-N 2.83Å; E157-R162 PolarHBondContact O-NH1 3.38Å
158E90.8Very high90.1Very high85 Ų8567.6 Ų67.640%0.39732%0.318SS..Iπ-helixtrans-103-26.7-166.4-52.8172.3-178.300113.6R153 H154 Q160R153-E158 IonicContact CZ-OE1 3.31Å; R153-E158 VanDerWaalsContact CZ-OE1 3.31Å; R153-E158 IonicContact NE-OE1 2.79Å; R153-E158 PolarHBondContact NE-OE1 3.35Å; R153-E158 IonicContact NH2-OE1 3.09Å; R153-E158 PolarHBondContact NH2-OE1 2.94Å; R153-E158 VanDerWaalsContact NH2-OE1 3.09Å; H154-E158 IonicContact ND1-OE2 3.93Å; H154-E158 PolarHBondContact O-N 3.22Å; E158-Q160 PolarHBondContact O-N 2.85Å
159C91.9Very high90.3Very high0 Ų069.1 Ų69.10%033%0.326CS..  trans-69.6129.5-172.8-172.30000111.3H154 D161 R162H154-C159 VanDerWaalsContact NE2-CB 3.31Å; H154-C159 WeakPolarHBondContact NE2-CB 3.46Å; H154-C159 PolarHBondContact NE2-SG 3.46Å; H154-C159 VanDerWaalsContact NE2-SG 3.4Å; H154-C159 WeakPolarHBondContact O-CB 3.5Å; H154-C159 PolarHBondContact O-N 3.32Å; C159-D161 VanDerWaalsContact C-N 3.28Å; C159-D161 PolarHBondContact O-N 3.31Å; C159-R162 HydrophobicContact CB-CB 4.07Å; C159-R162 VanDerWaalsContact O-CD 3.31Å; C159-R162 WeakPolarHBondContact O-CD 3.37Å; C159-R162 WeakPolarHBondContact O-CG 3.29Å; C159-R162 PolarHBondContact O-N 2.76Å; C159-R162 PolarHBondContact O-NH1 3.21Å
160Q91.3Very high90.4Very high103 Ų10377 Ų7748%0.48135%0.348SS..THydrogen-bonded Turntrans-74.1-21.6178.6-63.6-61.6-36.900112.9E158 F179 H180E158-Q160 PolarHBondContact O-N 2.85Å; Q160-F179 WeakPolarHBondContact O-CB 3.43Å; Q160-F179 PolarHBondContact O-N 2.85Å; Q160-F179 VanDerWaalsContact O-N 3.16Å; Q160-H180 PolarHBondContact O-N 3.08Å; Q160-H180 VanDerWaalsContact O-N 3.09Å; Q160-H180 PolarHBondContact O-ND1 3.43Å
161D91.3Very high90.4Very high55 Ų5576.4 Ų76.429%0.29435%0.345SS..THydrogen-bonded Turntrans-99.95.4179.5-55.8-38.5000112.1F141 C142 C159 H180F141-D161 HydrophobicContact CB-CB 3.86Å; C142-D161 WeakPolarHBondContact CA-OD2 3.43Å; C142-D161 HydrophobicContact CB-CB 4.34Å; C142-D161 WeakPolarHBondContact CB-OD2 3.38Å; C159-D161 VanDerWaalsContact C-N 3.28Å; C159-D161 PolarHBondContact O-N 3.31Å; D161-H180 IonicContact OD1-CE1 3.23Å; D161-H180 PolarHBondContact OD1-CE1 3.08Å; D161-H180 VanDerWaalsContact OD1-CE1 3.26Å; D161-H180 IonicContact OD1-ND1 3.79Å; D161-H180 PolarHBondContact OD1-ND1 3.21Å; D161-H180 VanDerWaalsContact OD1-ND1 3.15Å
162R92.8Very high90.3Very high36 Ų3675.8 Ų75.814%0.13634%0.343CS..SBendtrans-61.5143.2174.575.4-169.1-173.9-821.3110.1F141 Q155 K156 E157 C159 T164 P178 F179F141-R162 HydrophobicContact CD2-CB 4.49Å; Q155-R162 WeakPolarHBondContact O-CB 3.22Å; K156-R162 VanDerWaalsContact O-CD 3.28Å; K156-R162 WeakPolarHBondContact O-CD 3.32Å; K156-R162 PolarHBondContact O-NE 2.86Å; E157-R162 PolarHBondContact O-NH1 3.38Å; C159-R162 HydrophobicContact CB-CB 4.07Å; C159-R162 VanDerWaalsContact O-CD 3.31Å; C159-R162 WeakPolarHBondContact O-CD 3.37Å; C159-R162 WeakPolarHBondContact O-CG 3.29Å; C159-R162 PolarHBondContact O-N 2.76Å; C159-R162 PolarHBondContact O-NH1 3.21Å; R162-T164 HydrophobicContact CG-CG2 3.72Å; R162-T164 PolarHBondContact O-N 2.96Å; R162-P178 CarbonylContact O-C 3.59Å; R162-P178 WeakPolarHBondContact O-CA 3.44Å; R162-F179 HydrophobicContact CG-CB 4Å; R162-F179 PolarHBondContact O-N 3.4Å
163V91.1Very high90.4Very high91 Ų9170.9 Ų70.955%0.55232%0.321SS*.EExtended strand (participates in β ladder)trans-73118.2175.8-176.70000109.1F141 H176 G177F141-V163 HydrophobicContact CD1-CG2 4.47Å; F141-V163 HydrophobicContact CE1-CG2 3.97Å; V163-H176 HydrophobicContact CG1-CB 4.16Å; V163-G177 CarbonylContact C-O 3.57Å; V163-G177 WeakPolarHBondContact CA-O 3.33Å
164T93Very high90.4Very high21 Ų2169.5 Ų69.513%0.12933%0.328CS..EExtended strand (participates in β ladder)trans-11916917563.60000111.5R162 H176 G177 F179R162-T164 HydrophobicContact CG-CG2 3.72Å; R162-T164 PolarHBondContact O-N 2.96Å; T164-H176 WeakPolarHBondContact O-CA 3.29Å; T164-G177 PolarHBondContact N-O 2.72Å; T164-G177 PolarHBondContact O-N 3.49Å; T164-F179 HydrophobicContact CG2-CB 3.9Å; T164-F179 HydrophobicContact CG2-CD2 3.77Å; T164-F179 HydrophobicContact CG2-CG 4.29Å
165Q93.6Very high90.4Very high96 Ų9671.2 Ų71.245%0.44933%0.334SS..EExtended strand (participates in β ladder)trans-115144.6-178.5-71.4165.911.300109K169 H176Q165-K169 HydrophobicContact CB-CD 3.96Å; Q165-K169 HydrophobicContact CG-CD 3.97Å; Q165-H176 WeakPolarHBondContact CG-CD2 3.34Å; Q165-H176 WeakPolarHBondContact CG-NE2 3.41Å; Q165-H176 PolarHBondContact NE2-NE2 3.12Å
166C92.9Very high90.5Very high3 Ų372.9 Ų72.92%0.0234%0.342CS..  trans-61.7143.1174.4-178.70000110.9Y168 K169 C173 W175C166-Y168 PolarHBondContact O-N 3.17Å; C166-Y168 VanDerWaalsContact O-N 3.1Å; C166-Y168 VanDerWaalsContact SG-CD2 3.59Å; C166-Y168 PolarHBondContact SG-N 3.48Å; C166-Y168 VanDerWaalsContact SG-N 3.41Å; C166-K169 WeakPolarHBondContact O-CB 3.42Å; C166-K169 PolarHBondContact O-N 3.37Å; C166-C173 HydrophobicContact CB-CB 4.25Å; C166-W175 HydrophobicContact CB-CB 4.43Å; C166-W175 HydrophobicContact CB-CE3 4.1Å
167K91.3Very high90.7Very high108 Ų10867.1 Ų67.147%0.4732%0.319SS..G310 helixtrans-54.4-29.417269.2-173.3172.2-147.30113.7K169 E186K167-K169 PolarHBondContact O-N 3.04Å; K167-E186 WeakPolarHBondContact CB-OE1 3.39Å; K167-E186 HydrophobicContact CD-CG 4.45Å; K167-E186 WeakPolarHBondContact CD-OE1 3.32Å; K167-E186 WeakPolarHBondContact CD-OE2 3.5Å; K167-E186 WeakPolarHBondContact CE-OE2 3.15Å; K167-E186 HydrophobicContact CG-CG 4.35Å; K167-E186 WeakPolarHBondContact CG-OE1 3.31Å; K167-E186 PolarHBondContact N-OE1 3.44Å; K167-E186 IonicContact NZ-OE2 3.64Å; K167-E186 PolarHBondContact NZ-OE2 2.83Å
168Y91.4Very high90.8Very high68 Ų6862.7 Ų62.727%0.26730%0.301SS..G310 helixtrans-81.29177.2-56.6-58000113.6C166 R170 I171 G172 C173 C189 P192C166-Y168 PolarHBondContact O-N 3.17Å; C166-Y168 VanDerWaalsContact O-N 3.1Å; C166-Y168 VanDerWaalsContact SG-CD2 3.59Å; C166-Y168 PolarHBondContact SG-N 3.48Å; C166-Y168 VanDerWaalsContact SG-N 3.41Å; Y168-R170 PolarHBondContact O-N 2.75Å; Y168-I171 HydrophobicContact CD1-CD1 3.9Å; Y168-I171 HydrophobicContact CD1-CG1 4.41Å; Y168-I171 HydrophobicContact CG-CD1 4.17Å; Y168-I171 HydrophobicContact CG-CG1 4.48Å; Y168-I171 CarbonylContact O-C 3.58Å; Y168-I171 WeakPolarHBondContact O-CG1 3.47Å; Y168-I171 PolarHBondContact O-N 3.47Å; Y168-G172 PolarHBondContact O-N 3.39Å; Y168-C173 WeakPolarHBondContact O-CB 3.36Å; Y168-C173 PolarHBondContact O-N 3.07Å; Y168-C173 VanDerWaalsContact O-N 3.1Å; Y168-C189 HydrophobicContact CD2-CB 3.84Å; Y168-C189 HydrophobicContact CE2-CB 4.08Å; Y168-P192 HydrophobicContact CD1-CG 3.9Å; Y168-P192 HydrophobicContact CD2-CG 3.72Å; Y168-P192 HydrophobicContact CE1-CB 4.45Å; Y168-P192 HydrophobicContact CE1-CG 3.61Å; Y168-P192 HydrophobicContact CE2-CG 3.4Å; Y168-P192 VanDerWaalsContact CE2-CG 3.4Å; Y168-P192 HydrophobicContact CG-CG 3.95Å
169K89.6Confident90.8Very high81 Ų8161.8 Ų61.835%0.35230%0.296SS..G310 helixtrans-55.7-30.9169.3179.5173.5175.61750112.2Q165 C166 K167 I171 G172Q165-K169 HydrophobicContact CB-CD 3.96Å; Q165-K169 HydrophobicContact CG-CD 3.97Å; C166-K169 WeakPolarHBondContact O-CB 3.42Å; C166-K169 PolarHBondContact O-N 3.37Å; K167-K169 PolarHBondContact O-N 3.04Å; K169-I171 PolarHBondContact O-N 3.01Å; K169-G172 PolarHBondContact O-N 2.95Å
170R84.6Confident90.8Very high220 Ų22066 Ų6683%0.8332%0.316SS*.G310 helixtrans-61.4-25.7175.5-63.8-176.5-178.9-177.30.3113.7Y168Y168-R170 PolarHBondContact O-N 2.75Å
171I87.1Confident90.8Very high51 Ų5165.4 Ų65.426%0.26231%0.313SS..G310 helixtrans-104.817.4174.861.8170.4000111.6Y168 K169 H191 L199Y168-I171 HydrophobicContact CD1-CD1 3.9Å; Y168-I171 HydrophobicContact CD1-CG1 4.41Å; Y168-I171 HydrophobicContact CG-CD1 4.17Å; Y168-I171 HydrophobicContact CG-CG1 4.48Å; Y168-I171 CarbonylContact O-C 3.58Å; Y168-I171 WeakPolarHBondContact O-CG1 3.47Å; Y168-I171 PolarHBondContact O-N 3.47Å; K169-I171 PolarHBondContact O-N 3.01Å; I171-H191 HydrophobicContact CD1-CB 3.83Å; I171-H191 HydrophobicContact CG1-CB 4.16Å; I171-L199 WeakPolarHBondContact O-CD2 3.46Å
172G86.4Confident90.9Very high9 Ų963.8 Ų63.89%0.09330%0.304CS..THydrogen-bonded Turntrans93.612.6172.300000116.7Y168 K169 P174Y168-G172 PolarHBondContact O-N 3.39Å; K169-G172 PolarHBondContact O-N 2.95Å; G172-P174 VanDerWaalsContact O-CD 3.29Å; G172-P174 WeakPolarHBondContact O-CD 3.43Å
173C90.4Very high90.9Very high3 Ų366.9 Ų66.92%0.0233%0.328CS..  trans-63.3120173.2-172.90000111.2C166 Y168 W175 H185 H191C166-C173 HydrophobicContact CB-CB 4.25Å; Y168-C173 WeakPolarHBondContact O-CB 3.36Å; Y168-C173 PolarHBondContact O-N 3.07Å; Y168-C173 VanDerWaalsContact O-N 3.1Å; C173-W175 VanDerWaalsContact C-N 3.27Å; C173-W175 PolarHBondContact O-N 2.75Å; C173-H185 PolarHBondContact SG-NE2 3.23Å; C173-H185 VanDerWaalsContact SG-NE2 3.37Å; C173-H191 HydrophobicContact CB-CB 4.32Å
174P88.9Confident91Very high95 Ų9567.4 Ų67.462%0.61733%0.331SS*.  trans-85.52.3-177.635.9-36.2000112.9G172 H176G172-P174 VanDerWaalsContact O-CD 3.29Å; G172-P174 WeakPolarHBondContact O-CD 3.43Å; P174-H176 PolarHBondContact O-CE1 3.49Å; P174-H176 PolarHBondContact O-N 3.32Å; P174-H176 PolarHBondContact O-ND1 3.1Å
175W92.4Very high91Very high48 Ų4868.3 Ų68.318%0.18233%0.333CS..  trans-66.2127.5-174.6-175.787.5000111.7C166 C173 E181 L182 H185C166-W175 HydrophobicContact CB-CB 4.43Å; C166-W175 HydrophobicContact CB-CE3 4.1Å; C173-W175 VanDerWaalsContact C-N 3.27Å; C173-W175 PolarHBondContact O-N 2.75Å; W175-E181 HydrophobicContact CZ2-CB 4.08Å; W175-L182 HydrophobicContact CE3-CD1 4.21Å; W175-L182 HydrophobicContact CH2-CB 4.01Å; W175-L182 HydrophobicContact CH2-CD1 4.12Å; W175-L182 HydrophobicContact CZ3-CB 4.22Å; W175-L182 HydrophobicContact CZ3-CD1 3.47Å; W175-L182 VanDerWaalsContact CZ3-CD1 3.47Å; W175-L182 HydrophobicContact CZ3-CG 4.44Å; W175-H185 VanDerWaalsContact CB-CE1 3.45Å; W175-H185 WeakPolarHBondContact CB-CE1 3.45Å; W175-H185 WeakPolarHBondContact CB-NE2 3.46Å; W175-H185 AromaticContact CD1-CE1 3.61Å; W175-H185 AromaticContact CD1-CG 3.73Å; W175-H185 AromaticContact CD1-ND1 3.33Å; W175-H185 VanDerWaalsContact CD1-ND1 3.33Å; W175-H185 HydrophobicContact CD2-CB 4.04Å; W175-H185 AromaticContact CD2-CD2 3.58Å; W175-H185 AromaticContact CD2-CG 3.54Å; W175-H185 AromaticContact CD2-ND1 3.94Å; W175-H185 AromaticContact CE2-CG 3.65Å; W175-H185 AromaticContact CE3-CD2 3.87Å; W175-H185 HydrophobicContact CG-CB 4.49Å; W175-H185 AromaticContact CG-CD2 3.62Å; W175-H185 AromaticContact CG-CE1 3.44Å; W175-H185 VanDerWaalsContact CG-CE1 3.44Å; W175-H185 AromaticContact CG-CG 3.59Å; W175-H185 AromaticContact CG-ND1 3.49Å; W175-H185 AromaticContact CG-NE2 3.55Å; W175-H185 HydrophobicContact CH2-CB 4.44Å; W175-H185 HydrophobicContact CZ2-CB 3.91Å; W175-H185 AromaticContact NE1-CG 3.75Å; W175-H185 AromaticContact NE1-ND1 3.67Å
176H92.6Very high90.9Very high96 Ų9665.9 Ų65.944%0.44432%0.322SS..EExtended strand (participates in β ladder)trans-133.4129.6170.5-61.675.4000106.9V163 T164 Q165 P174V163-H176 HydrophobicContact CG1-CB 4.16Å; T164-H176 WeakPolarHBondContact O-CA 3.29Å; Q165-H176 WeakPolarHBondContact CG-CD2 3.34Å; Q165-H176 WeakPolarHBondContact CG-NE2 3.41Å; Q165-H176 PolarHBondContact NE2-NE2 3.12Å; P174-H176 PolarHBondContact O-CE1 3.49Å; P174-H176 PolarHBondContact O-N 3.32Å; P174-H176 PolarHBondContact O-ND1 3.1Å
177G91.3Very high90.9Very high8 Ų870.2 Ų70.28%0.08236%0.358CS..EExtended strand (participates in β ladder)trans-166.7179.2-177.100000112.7V163 T164V163-G177 CarbonylContact C-O 3.57Å; V163-G177 WeakPolarHBondContact CA-O 3.33Å; T164-G177 PolarHBondContact N-O 2.72Å; T164-G177 PolarHBondContact O-N 3.49Å
178P92.1Very high90.9Very high39 Ų3969 Ų6925%0.25337%0.368SS..EExtended strand (participates in β ladder)trans-57.7143174.9-23.134.4000111.8R162 H180 E181R162-P178 CarbonylContact O-C 3.59Å; R162-P178 WeakPolarHBondContact O-CA 3.44Å; P178-H180 VanDerWaalsContact C-N 3.26Å; P178-H180 WeakPolarHBondContact CB-CE1 3.44Å; P178-H180 WeakPolarHBondContact CB-ND1 3.24Å; P178-H180 PolarHBondContact O-N 2.63Å; P178-E181 HydrophobicContact CB-CG 4.48Å; P178-E181 PolarHBondContact O-N 3.08Å; P178-E181 VanDerWaalsContact O-N 3.08Å
179F91.9Very high90.9Very high66 Ų6666.4 Ų66.429%0.28936%0.359SS..Hα-helixtrans-58-36.2-179178-107000113.6Q160 R162 T164 E181 L182Q160-F179 WeakPolarHBondContact O-CB 3.43Å; Q160-F179 PolarHBondContact O-N 2.85Å; Q160-F179 VanDerWaalsContact O-N 3.16Å; R162-F179 HydrophobicContact CG-CB 4Å; R162-F179 PolarHBondContact O-N 3.4Å; T164-F179 HydrophobicContact CG2-CB 3.9Å; T164-F179 HydrophobicContact CG2-CD2 3.77Å; T164-F179 HydrophobicContact CG2-CG 4.29Å; F179-E181 PolarHBondContact O-N 3.22Å; F179-L182 HydrophobicContact CD2-CB 4.49Å; F179-L182 HydrophobicContact CD2-CD2 3.87Å; F179-L182 HydrophobicContact CE2-CD2 3.84Å; F179-L182 WeakPolarHBondContact O-CB 3.36Å; F179-L182 PolarHBondContact O-N 3.23Å; F179-L182 VanDerWaalsContact O-N 3.08Å
180H90.5Very high90.8Very high88 Ų8865.1 Ų65.141%0.40736%0.364SS..Hα-helixtrans-64.7-21.8179.966.5-96.2000113.6Q160 D161 P178Q160-H180 PolarHBondContact O-N 3.08Å; Q160-H180 VanDerWaalsContact O-N 3.09Å; Q160-H180 PolarHBondContact O-ND1 3.43Å; D161-H180 IonicContact OD1-CE1 3.23Å; D161-H180 PolarHBondContact OD1-CE1 3.08Å; D161-H180 VanDerWaalsContact OD1-CE1 3.26Å; D161-H180 IonicContact OD1-ND1 3.79Å; D161-H180 PolarHBondContact OD1-ND1 3.21Å; D161-H180 VanDerWaalsContact OD1-ND1 3.15Å; P178-H180 VanDerWaalsContact C-N 3.26Å; P178-H180 WeakPolarHBondContact CB-CE1 3.44Å; P178-H180 WeakPolarHBondContact CB-ND1 3.24Å; P178-H180 PolarHBondContact O-N 2.63Å
181E92.5Very high91Very high91 Ų9155.5 Ų55.543%0.42533%0.329SS..Hα-helixtrans-90.3-10.6175.9-59.4-173.8167.300113.2W175 P178 F179 T183 V184 H185W175-E181 HydrophobicContact CZ2-CB 4.08Å; P178-E181 HydrophobicContact CB-CG 4.48Å; P178-E181 PolarHBondContact O-N 3.08Å; P178-E181 VanDerWaalsContact O-N 3.08Å; F179-E181 PolarHBondContact O-N 3.22Å; E181-T183 VanDerWaalsContact C-N 3.33Å; E181-T183 PolarHBondContact O-N 3.16Å; E181-V184 PolarHBondContact O-N 3.41Å; E181-H185 PolarHBondContact O-N 2.58Å
182L93.1Very high91Very high22 Ų2256.2 Ų56.212%0.11534%0.336CS..Hα-helixtrans-57.7-44.7-174.8176.366.1000112W175 F179 V184 H185 E186W175-L182 HydrophobicContact CE3-CD1 4.21Å; W175-L182 HydrophobicContact CH2-CB 4.01Å; W175-L182 HydrophobicContact CH2-CD1 4.12Å; W175-L182 HydrophobicContact CZ3-CB 4.22Å; W175-L182 HydrophobicContact CZ3-CD1 3.47Å; W175-L182 VanDerWaalsContact CZ3-CD1 3.47Å; W175-L182 HydrophobicContact CZ3-CG 4.44Å; F179-L182 HydrophobicContact CD2-CB 4.49Å; F179-L182 HydrophobicContact CD2-CD2 3.87Å; F179-L182 HydrophobicContact CE2-CD2 3.84Å; F179-L182 WeakPolarHBondContact O-CB 3.36Å; F179-L182 PolarHBondContact O-N 3.23Å; F179-L182 VanDerWaalsContact O-N 3.08Å; L182-V184 VanDerWaalsContact C-N 3.33Å; L182-V184 PolarHBondContact O-N 3.09Å; L182-H185 PolarHBondContact O-N 3.33Å; L182-E186 HydrophobicContact CD1-CG 4.04Å; L182-E186 HydrophobicContact CG-CG 4.35Å; L182-E186 WeakPolarHBondContact O-CB 3.36Å; L182-E186 VanDerWaalsContact O-CG 3.31Å; L182-E186 WeakPolarHBondContact O-CG 3.25Å; L182-E186 PolarHBondContact O-N 3.2Å
183T92Very high91.1Very high101 Ų10161.4 Ų61.462%0.6237%0.367SS*.Hα-helixtrans-65-39.2-178.451.40000111.9E181 E186 A187E181-T183 VanDerWaalsContact C-N 3.33Å; E181-T183 PolarHBondContact O-N 3.16Å; T183-E186 PolarHBondContact O-N 2.95Å; T183-A187 PolarHBondContact O-N 2.97Å; T183-A187 VanDerWaalsContact O-N 3.16Å
184V93.3Very high90.9Very high102 Ų10264.5 Ų64.562%0.61838%0.38SS*.Hα-helixtrans-66.1-46.4176.6-177.10000110.1E181 L182 A187 A188E181-V184 PolarHBondContact O-N 3.41Å; L182-V184 VanDerWaalsContact C-N 3.33Å; L182-V184 PolarHBondContact O-N 3.09Å; V184-A187 PolarHBondContact O-N 3.41Å; V184-A188 PolarHBondContact O-N 3.28Å
185H93.5Very high90.9Very high39 Ų3963.3 Ų63.318%0.18137%0.371CS..Hα-helixtrans-62.2-44.8176175.774.2000112C173 W175 E181 L182 A187 A188 C189C173-H185 PolarHBondContact SG-NE2 3.23Å; C173-H185 VanDerWaalsContact SG-NE2 3.37Å; W175-H185 VanDerWaalsContact CB-CE1 3.45Å; W175-H185 WeakPolarHBondContact CB-CE1 3.45Å; W175-H185 WeakPolarHBondContact CB-NE2 3.46Å; W175-H185 AromaticContact CD1-CE1 3.61Å; W175-H185 AromaticContact CD1-CG 3.73Å; W175-H185 AromaticContact CD1-ND1 3.33Å; W175-H185 VanDerWaalsContact CD1-ND1 3.33Å; W175-H185 HydrophobicContact CD2-CB 4.04Å; W175-H185 AromaticContact CD2-CD2 3.58Å; W175-H185 AromaticContact CD2-CG 3.54Å; W175-H185 AromaticContact CD2-ND1 3.94Å; W175-H185 AromaticContact CE2-CG 3.65Å; W175-H185 AromaticContact CE3-CD2 3.87Å; W175-H185 HydrophobicContact CG-CB 4.49Å; W175-H185 AromaticContact CG-CD2 3.62Å; W175-H185 AromaticContact CG-CE1 3.44Å; W175-H185 VanDerWaalsContact CG-CE1 3.44Å; W175-H185 AromaticContact CG-CG 3.59Å; W175-H185 AromaticContact CG-ND1 3.49Å; W175-H185 AromaticContact CG-NE2 3.55Å; W175-H185 HydrophobicContact CH2-CB 4.44Å; W175-H185 HydrophobicContact CZ2-CB 3.91Å; W175-H185 AromaticContact NE1-CG 3.75Å; W175-H185 AromaticContact NE1-ND1 3.67Å; E181-H185 PolarHBondContact O-N 2.58Å; L182-H185 PolarHBondContact O-N 3.33Å; H185-A187 VanDerWaalsContact C-N 3.27Å; H185-A187 PolarHBondContact O-N 2.92Å; H185-A188 CarbonylContact O-C 3.46Å; H185-A188 PolarHBondContact O-N 3.38Å; H185-A188 VanDerWaalsContact O-N 3.09Å; H185-C189 WeakPolarHBondContact O-CA 3.35Å; H185-C189 WeakPolarHBondContact O-CB 3.38Å; H185-C189 PolarHBondContact O-N 2.8Å
186E92.1Very high90.5Very high46 Ų4663.4 Ų63.422%0.21539%0.387CS..Hα-helixtrans-62.7-33.8-178.6-78-168.517200113.3K167 L182 T183K167-E186 WeakPolarHBondContact CB-OE1 3.39Å; K167-E186 HydrophobicContact CD-CG 4.45Å; K167-E186 WeakPolarHBondContact CD-OE1 3.32Å; K167-E186 WeakPolarHBondContact CD-OE2 3.5Å; K167-E186 WeakPolarHBondContact CE-OE2 3.15Å; K167-E186 HydrophobicContact CG-CG 4.35Å; K167-E186 WeakPolarHBondContact CG-OE1 3.31Å; K167-E186 PolarHBondContact N-OE1 3.44Å; K167-E186 IonicContact NZ-OE2 3.64Å; K167-E186 PolarHBondContact NZ-OE2 2.83Å; L182-E186 HydrophobicContact CD1-CG 4.04Å; L182-E186 HydrophobicContact CG-CG 4.35Å; L182-E186 WeakPolarHBondContact O-CB 3.36Å; L182-E186 VanDerWaalsContact O-CG 3.31Å; L182-E186 WeakPolarHBondContact O-CG 3.25Å; L182-E186 PolarHBondContact O-N 3.2Å; T183-E186 PolarHBondContact O-N 2.95Å
187A91.1Very high90Very high94 Ų9462.9 Ų62.978%0.77739%0.394SS*.Hα-helixtrans-70.8-32.7174.300000112.5T183 V184 H185T183-A187 PolarHBondContact O-N 2.97Å; T183-A187 VanDerWaalsContact O-N 3.16Å; V184-A187 PolarHBondContact O-N 3.41Å; H185-A187 VanDerWaalsContact C-N 3.27Å; H185-A187 PolarHBondContact O-N 2.92Å
188A92.1Very high89.6Confident82 Ų8267.1 Ų67.168%0.67841%0.412SS*.Hα-helixtrans-98.85.5-179.200000114V184 H185 A190V184-A188 PolarHBondContact O-N 3.28Å; H185-A188 CarbonylContact O-C 3.46Å; H185-A188 PolarHBondContact O-N 3.38Å; H185-A188 VanDerWaalsContact O-N 3.09Å; A188-A190 PolarHBondContact O-N 3.44Å
189C91.1Very high89.4Confident13 Ų1366.7 Ų66.79%0.08841%0.407CS..  trans-69.1124.7-172.6-165.90000110.2Y168 H185 P192Y168-C189 HydrophobicContact CD2-CB 3.84Å; Y168-C189 HydrophobicContact CE2-CB 4.08Å; H185-C189 WeakPolarHBondContact O-CA 3.35Å; H185-C189 WeakPolarHBondContact O-CB 3.38Å; H185-C189 PolarHBondContact O-N 2.8Å; C189-P192 VanDerWaalsContact O-CD 3.24Å; C189-P192 WeakPolarHBondContact O-CD 3.45Å
190A88.8Confident89.1Confident55 Ų5569.4 Ų69.446%0.45542%0.422SS..SBendtrans-80.6-12.9177.600000113.7A188 P192 T193 K194A188-A190 PolarHBondContact O-N 3.44Å; A190-P192 VanDerWaalsContact C-CD 3.48Å; A190-T193 PolarHBondContact O-N 3.35Å; A190-T193 VanDerWaalsContact O-N 3.14Å; A190-T193 PolarHBondContact O-OG1 3.33Å; A190-K194 WeakPolarHBondContact O-CG 3.49Å; A190-K194 PolarHBondContact O-N 3Å; A190-K194 VanDerWaalsContact O-N 3.17Å
191H87.6Confident88.8Confident18 Ų1872.8 Ų72.88%0.08344%0.438CS..G310 helixtrans-62.3-36.6-175.8-72.875.4000114.8I171 C173 T193 K194I171-H191 HydrophobicContact CD1-CB 3.83Å; I171-H191 HydrophobicContact CG1-CB 4.16Å; C173-H191 HydrophobicContact CB-CB 4.32Å; H191-T193 PolarHBondContact O-N 3.32Å; H191-K194 PolarHBondContact NE2-NZ 3.5Å; H191-K194 PolarHBondContact O-N 2.92Å
192P87.9Confident88.4Confident65 Ų6570.9 Ų70.942%0.42243%0.431SS..G310 helixtrans-64.6-24.3174.1-2335.6000114.4Y168 C189 A190Y168-P192 HydrophobicContact CD1-CG 3.9Å; Y168-P192 HydrophobicContact CD2-CG 3.72Å; Y168-P192 HydrophobicContact CE1-CB 4.45Å; Y168-P192 HydrophobicContact CE1-CG 3.61Å; Y168-P192 HydrophobicContact CE2-CG 3.4Å; Y168-P192 VanDerWaalsContact CE2-CG 3.4Å; Y168-P192 HydrophobicContact CG-CG 3.95Å; C189-P192 VanDerWaalsContact O-CD 3.24Å; C189-P192 WeakPolarHBondContact O-CD 3.45Å; A190-P192 VanDerWaalsContact C-CD 3.48Å
193T87.6Confident88.1Confident119 Ų11972.3 Ų72.373%0.7344%0.438SS*.G310 helixtrans-101.4-2-178.356.30000113.2A190 H191A190-T193 PolarHBondContact O-N 3.35Å; A190-T193 VanDerWaalsContact O-N 3.14Å; A190-T193 PolarHBondContact O-OG1 3.33Å; H191-T193 PolarHBondContact O-N 3.32Å
194K87.1Confident87.9Confident67 Ų6771.1 Ų71.129%0.29143%0.428SS..SBendtrans-63.8149.4174.1-79.4-176.1176.6-177.20111.2A190 H191 L199A190-K194 WeakPolarHBondContact O-CG 3.49Å; A190-K194 PolarHBondContact O-N 3Å; A190-K194 VanDerWaalsContact O-N 3.17Å; H191-K194 PolarHBondContact NE2-NZ 3.5Å; H191-K194 PolarHBondContact O-N 2.92Å; K194-L199 HydrophobicContact CB-CD1 4.44Å; K194-L199 HydrophobicContact CB-CD2 3.93Å; K194-L199 HydrophobicContact CB-CG 3.95Å; K194-L199 HydrophobicContact CD-CD2 4.08Å
195T87.8Confident87.5Confident70 Ų7067.8 Ų67.843%0.42941%0.414SS..  trans-72.8155.4177.261.60000111S197 E198 L199T195-S197 PolarHBondContact O-N 3.31Å; T195-S197 PolarHBondContact OG1-OG 3.26Å; T195-E198 PolarHBondContact N-OE2 3.46Å; T195-E198 PolarHBondContact O-N 3.28Å; T195-E198 VanDerWaalsContact OG1-CG 3.31Å; T195-E198 WeakPolarHBondContact OG1-CG 3.35Å; T195-E198 PolarHBondContact OG1-OE2 3.42Å; T195-L199 PolarHBondContact O-N 3.08Å; T195-L199 VanDerWaalsContact O-N 3.13Å
196G83.6Confident87Confident51 Ų5169.3 Ų69.353%0.52642%0.422SS..Hα-helixtrans-55.8-39.1178.500000112.8E198 L199 M200G196-E198 PolarHBondContact O-N 3Å; G196-L199 PolarHBondContact O-N 2.88Å; G196-M200 WeakPolarHBondContact O-CB 3.42Å; G196-M200 WeakPolarHBondContact O-CG 3.44Å; G196-M200 PolarHBondContact O-N 2.89Å
197S83.7Confident86.8Confident85 Ų8570.9 Ų70.959%0.59443%0.432SS*.Hα-helixtrans-60.6-43.3177.842.20000113.2T195 M200 E201T195-S197 PolarHBondContact O-N 3.31Å; T195-S197 PolarHBondContact OG1-OG 3.26Å; S197-M200 PolarHBondContact O-N 2.93Å; S197-E201 PolarHBondContact O-N 3.44Å
198E82.5Confident86.6Confident97 Ų9770.9 Ų70.945%0.45342%0.416SS..Hα-helixtrans-70.4-33.9179.2-65.6165.3143.600112T195 G196T195-E198 PolarHBondContact N-OE2 3.46Å; T195-E198 PolarHBondContact O-N 3.28Å; T195-E198 VanDerWaalsContact OG1-CG 3.31Å; T195-E198 WeakPolarHBondContact OG1-CG 3.35Å; T195-E198 PolarHBondContact OG1-OE2 3.42Å; G196-E198 PolarHBondContact O-N 3Å
199L86.7Confident86.2Confident29 Ų2970.1 Ų70.115%0.15241%0.406CS..Hα-helixtrans-72.2-36.1175.1-66.9177.6000111.6I171 K194 T195 G196 E201 I202 L203I171-L199 WeakPolarHBondContact O-CD2 3.46Å; K194-L199 HydrophobicContact CB-CD1 4.44Å; K194-L199 HydrophobicContact CB-CD2 3.93Å; K194-L199 HydrophobicContact CB-CG 3.95Å; K194-L199 HydrophobicContact CD-CD2 4.08Å; T195-L199 PolarHBondContact O-N 3.08Å; T195-L199 VanDerWaalsContact O-N 3.13Å; G196-L199 PolarHBondContact O-N 2.88Å; L199-E201 VanDerWaalsContact C-N 3.33Å; L199-E201 PolarHBondContact O-N 2.65Å; L199-I202 PolarHBondContact O-N 3.46Å; L199-L203 HydrophobicContact CB-CD1 4.38Å; L199-L203 VanDerWaalsContact O-CB 3.29Å; L199-L203 WeakPolarHBondContact O-CB 3.45Å; L199-L203 WeakPolarHBondContact O-CG 3.43Å; L199-L203 PolarHBondContact O-N 2.97Å
200M86.5Confident85.9Confident124 Ų12473.9 Ų73.961%0.61142%0.422SS*.Hα-helixtrans-61.3-38.5-179.8-77.2-58.1-64.200112.6G196 S197 D204G196-M200 WeakPolarHBondContact O-CB 3.42Å; G196-M200 WeakPolarHBondContact O-CG 3.44Å; G196-M200 PolarHBondContact O-N 2.89Å; S197-M200 PolarHBondContact O-N 2.93Å; M200-D204 VanDerWaalsContact O-CB 3.25Å; M200-D204 WeakPolarHBondContact O-CB 3.37Å; M200-D204 PolarHBondContact O-N 3.31Å
201E84.4Confident85.7Confident158 Ų15879.4 Ų79.474%0.73843%0.431SS*.Hα-helixtrans-63.7-43.6175.6-70.1-177.2178.800112.1S197 L199 G205S197-E201 PolarHBondContact O-N 3.44Å; L199-E201 VanDerWaalsContact C-N 3.33Å; L199-E201 PolarHBondContact O-N 2.65Å; E201-G205 PolarHBondContact O-N 3.11Å
202I84.4Confident85.5Confident52 Ų5285.2 Ų85.227%0.26746%0.456SS..Hα-helixtrans-69.3-43.7-179.9-57.1168000110.5L199 D204 G205 M206L199-I202 PolarHBondContact O-N 3.46Å; I202-D204 VanDerWaalsContact C-N 3.35Å; I202-G205 PolarHBondContact O-N 3.45Å; I202-M206 HydrophobicContact CG2-SD 4.29Å; I202-M206 WeakPolarHBondContact O-CG 3.37Å; I202-M206 PolarHBondContact O-N 3.47Å
203L86.5Confident85Confident51 Ų5188.6 Ų88.627%0.26747%0.466SS..Hα-helixtrans-64.7-38.4177.7-71.3173.6000111.5L199 G205 M206 D207L199-L203 HydrophobicContact CB-CD1 4.38Å; L199-L203 VanDerWaalsContact O-CB 3.29Å; L199-L203 WeakPolarHBondContact O-CB 3.45Å; L199-L203 WeakPolarHBondContact O-CG 3.43Å; L199-L203 PolarHBondContact O-N 2.97Å; L203-G205 VanDerWaalsContact C-N 3.33Å; L203-G205 PolarHBondContact O-N 3.49Å; L203-M206 HydrophobicContact CD2-SD 4.27Å; L203-M206 WeakPolarHBondContact O-CB 3.37Å; L203-M206 PolarHBondContact O-N 3.18Å; L203-D207 WeakPolarHBondContact O-CB 3.47Å; L203-D207 PolarHBondContact O-N 3.08Å
204D87.3Confident84.9Confident77 Ų7786.6 Ų86.641%0.41245%0.45SS..Hα-helixtrans-62.6-41.4175.1-170.959000111.1M200 I202 M206 D207 Q208M200-D204 VanDerWaalsContact O-CB 3.25Å; M200-D204 WeakPolarHBondContact O-CB 3.37Å; M200-D204 PolarHBondContact O-N 3.31Å; I202-D204 VanDerWaalsContact C-N 3.35Å; D204-M206 PolarHBondContact O-N 3.2Å; D204-D207 PolarHBondContact O-N 3.26Å; D204-Q208 WeakPolarHBondContact O-CB 3.3Å; D204-Q208 WeakPolarHBondContact O-CG 3.33Å; D204-Q208 PolarHBondContact O-N 3.17Å; D204-Q208 PolarHBondContact OD2-NE2 3.15Å
205G84.9Confident84.9Confident32 Ų3289.2 Ų89.233%0.3346%0.463SS..Hα-helixtrans-62.1-39.6172.900000113.7E201 I202 L203 S209E201-G205 PolarHBondContact O-N 3.11Å; I202-G205 PolarHBondContact O-N 3.45Å; L203-G205 VanDerWaalsContact C-N 3.33Å; L203-G205 PolarHBondContact O-N 3.49Å; G205-S209 PolarHBondContact O-N 2.77Å; G205-S209 VanDerWaalsContact O-N 3.14Å; G205-S209 PolarHBondContact O-OG 3.03Å
206M84.1Confident84.7Confident70 Ų7088.7 Ų88.735%0.34546%0.457SS..Hα-helixtrans-66.1-45.2174.8-70.6173.959.300111.6I202 L203 D204 S209 H210I202-M206 HydrophobicContact CG2-SD 4.29Å; I202-M206 WeakPolarHBondContact O-CG 3.37Å; I202-M206 PolarHBondContact O-N 3.47Å; L203-M206 HydrophobicContact CD2-SD 4.27Å; L203-M206 WeakPolarHBondContact O-CB 3.37Å; L203-M206 PolarHBondContact O-N 3.18Å; D204-M206 PolarHBondContact O-N 3.2Å; M206-S209 PolarHBondContact O-N 3.48Å; M206-H210 WeakPolarHBondContact O-CB 3.22Å; M206-H210 PolarHBondContact O-N 2.88Å
207D86.8Confident84.7Confident80 Ų8092.7 Ų92.743%0.42846%0.457SS..Hα-helixtrans-64.5-41.5178-87.73.9000111.4L203 D204 S209 H210 R211L203-D207 WeakPolarHBondContact O-CB 3.47Å; L203-D207 PolarHBondContact O-N 3.08Å; D204-D207 PolarHBondContact O-N 3.26Å; D207-S209 VanDerWaalsContact C-N 3.31Å; D207-S209 PolarHBondContact O-N 3.38Å; D207-H210 PolarHBondContact O-N 3.06Å; D207-R211 VanDerWaalsContact O-CB 3.26Å; D207-R211 WeakPolarHBondContact O-CB 3.31Å; D207-R211 WeakPolarHBondContact O-CG 3.35Å; D207-R211 PolarHBondContact O-N 3.45Å
208Q87.4Confident84.9Confident93 Ų9393.4 Ų93.444%0.43545%0.454SS..Hα-helixtrans-60.4-42.4174.4-75.3179.332.700111.6D204 K212D204-Q208 WeakPolarHBondContact O-CB 3.3Å; D204-Q208 WeakPolarHBondContact O-CG 3.33Å; D204-Q208 PolarHBondContact O-N 3.17Å; D204-Q208 PolarHBondContact OD2-NE2 3.15Å; Q208-K212 VanDerWaalsContact O-CG 3.3Å; Q208-K212 WeakPolarHBondContact O-CG 3.42Å; Q208-K212 PolarHBondContact O-N 3.4Å
209S83.8Confident85.1Confident67 Ų6791.1 Ų91.147%0.46945%0.449SS..Hα-helixtrans-65.9-45.3177.6-57.70000111.1G205 M206 D207 R211 K212 E213G205-S209 PolarHBondContact O-N 2.77Å; G205-S209 VanDerWaalsContact O-N 3.14Å; G205-S209 PolarHBondContact O-OG 3.03Å; M206-S209 PolarHBondContact O-N 3.48Å; D207-S209 VanDerWaalsContact C-N 3.31Å; D207-S209 PolarHBondContact O-N 3.38Å; S209-R211 PolarHBondContact O-N 3.38Å; S209-K212 WeakPolarHBondContact O-CB 3.17Å; S209-K212 PolarHBondContact O-N 3.24Å; S209-E213 PolarHBondContact O-N 3.24Å; S209-E213 VanDerWaalsContact O-N 3.11Å
210H84.9Confident85.1Confident92 Ų9291.4 Ų91.443%0.42645%0.45SS..Hα-helixtrans-65.3-39.3177.2-170.858.1000112.6M206 D207 K212 E213 M214M206-H210 WeakPolarHBondContact O-CB 3.22Å; M206-H210 PolarHBondContact O-N 2.88Å; D207-H210 PolarHBondContact O-N 3.06Å; H210-K212 VanDerWaalsContact C-N 3.32Å; H210-K212 PolarHBondContact O-N 3.24Å; H210-E213 PolarHBondContact O-N 2.89Å; H210-M214 VanDerWaalsContact CE1-CE 3.44Å; H210-M214 WeakPolarHBondContact CE1-CE 3.31Å; H210-M214 WeakPolarHBondContact O-CB 3.4Å; H210-M214 WeakPolarHBondContact O-CG 3.18Å; H210-M214 PolarHBondContact O-N 3.37Å
211R84.8Confident85.1Confident171 Ų17192 Ų9265%0.64545%0.45SS*.Hα-helixtrans-61.5-39.4174.2-77.7176.6-168.8-164.87.8111.7D207 S209 M214 Q215D207-R211 VanDerWaalsContact O-CB 3.26Å; D207-R211 WeakPolarHBondContact O-CB 3.31Å; D207-R211 WeakPolarHBondContact O-CG 3.35Å; D207-R211 PolarHBondContact O-N 3.45Å; S209-R211 PolarHBondContact O-N 3.38Å; R211-M214 PolarHBondContact O-N 2.9Å; R211-Q215 WeakPolarHBondContact O-CB 3.35Å; R211-Q215 PolarHBondContact O-N 3.3Å
212K82.1Confident85.3Confident140 Ų14087.7 Ų87.761%0.60944%0.437SS*.Hα-helixtrans-63.4-43.6174.7-72.6170.2-174.1175.30111.5Q208 S209 H210 Q215Q208-K212 VanDerWaalsContact O-CG 3.3Å; Q208-K212 WeakPolarHBondContact O-CG 3.42Å; Q208-K212 PolarHBondContact O-N 3.4Å; S209-K212 WeakPolarHBondContact O-CB 3.17Å; S209-K212 PolarHBondContact O-N 3.24Å; H210-K212 VanDerWaalsContact C-N 3.32Å; H210-K212 PolarHBondContact O-N 3.24Å; K212-Q215 WeakPolarHBondContact O-CB 3.39Å; K212-Q215 PolarHBondContact O-N 2.87Å
213E78.9Confident85.4Confident136 Ų13685.9 Ų85.964%0.63643%0.428SS*.Hα-helixtrans-63.6-44.3175.2-70.5179.117300111.8S209 H210 Q215S209-E213 PolarHBondContact O-N 3.24Å; S209-E213 VanDerWaalsContact O-N 3.11Å; H210-E213 PolarHBondContact O-N 2.89Å; E213-Q215 VanDerWaalsContact C-N 3.26Å; E213-Q215 PolarHBondContact O-N 3.34Å
214M85.6Confident85.5Confident77 Ų7787.6 Ų87.638%0.37944%0.437SS..Hα-helixtrans-72.2-17.5178.8-74.8-66.1179.200113.6H210 R211 L216 Y217 N218H210-M214 VanDerWaalsContact CE1-CE 3.44Å; H210-M214 WeakPolarHBondContact CE1-CE 3.31Å; H210-M214 WeakPolarHBondContact O-CB 3.4Å; H210-M214 WeakPolarHBondContact O-CG 3.18Å; H210-M214 PolarHBondContact O-N 3.37Å; R211-M214 PolarHBondContact O-N 2.9Å; M214-L216 VanDerWaalsContact C-N 3.31Å; M214-L216 PolarHBondContact O-N 3.09Å; M214-Y217 PolarHBondContact O-N 2.8Å; M214-Y217 HydrophobicContact SD-CD2 4.16Å; M214-N218 WeakPolarHBondContact O-CB 3.44Å; M214-N218 VanDerWaalsContact O-CG 3.29Å; M214-N218 PolarHBondContact O-N 3.24Å; M214-N218 PolarHBondContact O-ND2 2.85Å
215Q87Confident85.5Confident121 Ų12188.2 Ų88.257%0.56545%0.447SS*.Hα-helixtrans-58.3-43.4-178.8-171.6175.6-2.800111.5R211 K212 E213 Y217 N218 S219R211-Q215 WeakPolarHBondContact O-CB 3.35Å; R211-Q215 PolarHBondContact O-N 3.3Å; K212-Q215 WeakPolarHBondContact O-CB 3.39Å; K212-Q215 PolarHBondContact O-N 2.87Å; E213-Q215 VanDerWaalsContact C-N 3.26Å; E213-Q215 PolarHBondContact O-N 3.34Å; Q215-Y217 PolarHBondContact O-N 3.4Å; Q215-N218 PolarHBondContact O-N 3.14Å; Q215-S219 WeakPolarHBondContact O-CB 3.44Å; Q215-S219 PolarHBondContact O-N 3.22Å; Q215-S219 PolarHBondContact O-OG 3.25Å
216L82.7Confident85.5Confident60 Ų6089.5 Ų89.531%0.31444%0.444SS..Hα-helixtrans-61.7-46.2178.3-178.466000111.4M214 S219 I220 P315 I317M214-L216 VanDerWaalsContact C-N 3.31Å; M214-L216 PolarHBondContact O-N 3.09Å; L216-S219 PolarHBondContact O-N 3.07Å; L216-I220 HydrophobicContact CD1-CD1 4.44Å; L216-I220 HydrophobicContact CG-CD1 4.18Å; L216-I220 VanDerWaalsContact O-CG1 3.3Å; L216-I220 WeakPolarHBondContact O-CG1 3.22Å; L216-I220 PolarHBondContact O-N 2.79Å; L216-P315 HydrophobicContact CD2-CB 4.46Å; L216-P315 HydrophobicContact CD2-CG 3.94Å; L216-P315 WeakPolarHBondContact CD2-O 3.43Å; L216-I317 HydrophobicContact CD1-CD1 4.29Å; L216-I317 HydrophobicContact CD1-CG1 4.48Å
217Y84.3Confident85.6Confident134 Ų13494.4 Ų94.453%0.52547%0.466SS..Hα-helixtrans-62.1-46.2177.4-67.3-76.5000111.3M214 Q215 S219 I220 F221M214-Y217 PolarHBondContact O-N 2.8Å; M214-Y217 HydrophobicContact SD-CD2 4.16Å; Q215-Y217 PolarHBondContact O-N 3.4Å; Y217-S219 VanDerWaalsContact C-N 3.32Å; Y217-S219 PolarHBondContact O-N 3.09Å; Y217-I220 PolarHBondContact O-N 2.79Å; Y217-F221 WeakPolarHBondContact O-CD2 3.43Å; Y217-F221 PolarHBondContact O-N 2.93Å
218N86.6Confident85.7Confident100 Ų10094.1 Ų94.154%0.53546%0.461SS..Hα-helixtrans-60.8-40.8177-71.1-27.4000111.9M214 Q215 F221 S222M214-N218 WeakPolarHBondContact O-CB 3.44Å; M214-N218 VanDerWaalsContact O-CG 3.29Å; M214-N218 PolarHBondContact O-N 3.24Å; M214-N218 PolarHBondContact O-ND2 2.85Å; Q215-N218 PolarHBondContact O-N 3.14Å; N218-F221 PolarHBondContact O-N 3.44Å; N218-S222 WeakPolarHBondContact O-CB 3.47Å; N218-S222 PolarHBondContact O-N 2.72Å
219S87.4Confident86Confident50 Ų5092.7 Ų92.735%0.3546%0.456SS..Hα-helixtrans-62.8-44.7173.9-65.30000111.7Q215 L216 Y217 S222 L223Q215-S219 WeakPolarHBondContact O-CB 3.44Å; Q215-S219 PolarHBondContact O-N 3.22Å; Q215-S219 PolarHBondContact O-OG 3.25Å; L216-S219 PolarHBondContact O-N 3.07Å; Y217-S219 VanDerWaalsContact C-N 3.32Å; Y217-S219 PolarHBondContact O-N 3.09Å; S219-S222 WeakPolarHBondContact O-CB 3.33Å; S219-S222 PolarHBondContact O-N 2.9Å; S219-L223 WeakPolarHBondContact O-CG 3.39Å; S219-L223 PolarHBondContact O-N 2.79Å
220I86.6Confident86.4Confident34 Ų3489.9 Ų89.917%0.17444%0.437CS..Hα-helixtrans-62-45.1175.8-66170.1000110.7L216 Y217 S222 L223 L224 P315 I317L216-I220 HydrophobicContact CD1-CD1 4.44Å; L216-I220 HydrophobicContact CG-CD1 4.18Å; L216-I220 VanDerWaalsContact O-CG1 3.3Å; L216-I220 WeakPolarHBondContact O-CG1 3.22Å; L216-I220 PolarHBondContact O-N 2.79Å; Y217-I220 PolarHBondContact O-N 2.79Å; I220-S222 VanDerWaalsContact C-N 3.3Å; I220-S222 PolarHBondContact O-N 2.77Å; I220-L223 WeakPolarHBondContact O-CB 3.47Å; I220-L223 PolarHBondContact O-N 3.03Å; I220-L223 VanDerWaalsContact O-N 3.13Å; I220-L224 HydrophobicContact CG2-CD1 4.17Å; I220-L224 HydrophobicContact CG2-CG 4.46Å; I220-L224 WeakPolarHBondContact O-CG 3.33Å; I220-L224 PolarHBondContact O-N 2.96Å; I220-P315 HydrophobicContact CD1-CB 4.27Å; I220-I317 HydrophobicContact CG1-CD1 3.84Å; I220-I317 HydrophobicContact CG1-CG1 4.3Å
221F86.4Confident86.7Confident138 Ų13890.8 Ų90.861%0.60544%0.437SS*.Hα-helixtrans-60.8-39.6176.4-79.1-62.4000112.2Y217 N218 L224 S225Y217-F221 WeakPolarHBondContact O-CD2 3.43Å; Y217-F221 PolarHBondContact O-N 2.93Å; N218-F221 PolarHBondContact O-N 3.44Å; F221-L224 HydrophobicContact CD1-CD1 4.36Å; F221-L224 PolarHBondContact O-N 2.9Å; F221-S225 PolarHBondContact O-N 3.42Å
222S87.7Confident87.2Confident67 Ų6784.2 Ų84.247%0.46942%0.416SS..Hα-helixtrans-62.5-41.7173.6-172.20000111.7N218 S219 I220 L224 S225N218-S222 WeakPolarHBondContact O-CB 3.47Å; N218-S222 PolarHBondContact O-N 2.72Å; S219-S222 WeakPolarHBondContact O-CB 3.33Å; S219-S222 PolarHBondContact O-N 2.9Å; I220-S222 VanDerWaalsContact C-N 3.3Å; I220-S222 PolarHBondContact O-N 2.77Å; S222-L224 VanDerWaalsContact C-N 3.31Å; S222-L224 PolarHBondContact O-N 2.89Å; S222-S225 WeakPolarHBondContact O-CB 3.31Å; S222-S225 PolarHBondContact O-N 3.33Å; S222-S225 VanDerWaalsContact O-N 3.14Å; S222-S225 PolarHBondContact O-OG 2.91Å
223L88.1Confident87.7Confident14 Ų1482.1 Ų82.17%0.07341%0.409CS..Hα-helixtrans-64.2-37.7176.2-69.3178.9000112S219 I220 S225 F226 I317 F358S219-L223 WeakPolarHBondContact O-CG 3.39Å; S219-L223 PolarHBondContact O-N 2.79Å; I220-L223 WeakPolarHBondContact O-CB 3.47Å; I220-L223 PolarHBondContact O-N 3.03Å; I220-L223 VanDerWaalsContact O-N 3.13Å; L223-S225 PolarHBondContact O-N 3.39Å; L223-S225 VanDerWaalsContact O-N 3.15Å; L223-F226 HydrophobicContact CD2-CD2 4.19Å; L223-F226 HydrophobicContact CD2-CE2 3.49Å; L223-F226 VanDerWaalsContact CD2-CE2 3.49Å; L223-F226 HydrophobicContact CD2-CZ 4.2Å; L223-F226 PolarHBondContact O-N 3.1Å; L223-F226 VanDerWaalsContact O-N 3.15Å; L223-I317 HydrophobicContact CD1-CD1 3.72Å; L223-I317 HydrophobicContact CD1-CG1 4.04Å; L223-I317 HydrophobicContact CD1-CG2 3.76Å; L223-F358 HydrophobicContact CB-CD1 3.69Å; L223-F358 HydrophobicContact CB-CD2 4.29Å; L223-F358 HydrophobicContact CB-CE1 3.79Å; L223-F358 HydrophobicContact CB-CE2 4.4Å; L223-F358 HydrophobicContact CB-CG 3.95Å; L223-F358 HydrophobicContact CB-CZ 4.15Å; L223-F358 HydrophobicContact CD1-CD2 4.11Å; L223-F358 HydrophobicContact CD1-CE2 4.34Å; L223-F358 HydrophobicContact CD1-CG 4.42Å; L223-F358 HydrophobicContact CD2-CB 4.32Å; L223-F358 HydrophobicContact CD2-CG 4.42Å; L223-F358 WeakPolarHBondContact O-CD1 3.35Å; L223-F358 WeakPolarHBondContact O-CE1 3.49Å
224L88.1Confident88.4Confident86 Ų8675.9 Ų75.945%0.4538%0.38SS..THydrogen-bonded Turntrans-65.5-11.5175.7-68.6171.2000113.7I220 F221 S222 I229 F358I220-L224 HydrophobicContact CG2-CD1 4.17Å; I220-L224 HydrophobicContact CG2-CG 4.46Å; I220-L224 WeakPolarHBondContact O-CG 3.33Å; I220-L224 PolarHBondContact O-N 2.96Å; F221-L224 HydrophobicContact CD1-CD1 4.36Å; F221-L224 PolarHBondContact O-N 2.9Å; S222-L224 VanDerWaalsContact C-N 3.31Å; S222-L224 PolarHBondContact O-N 2.89Å; L224-I229 WeakPolarHBondContact O-CD1 3.43Å; L224-F358 HydrophobicContact CD2-CE1 4.05Å; L224-F358 HydrophobicContact CD2-CZ 4.2Å
225S86.6Confident88.8Confident90 Ų9075.4 Ų75.463%0.62938%0.377SS*.THydrogen-bonded Turntrans-85-7.2174.776.40000114.2F221 S222 L223F221-S225 PolarHBondContact O-N 3.42Å; S222-S225 WeakPolarHBondContact O-CB 3.31Å; S222-S225 PolarHBondContact O-N 3.33Å; S222-S225 VanDerWaalsContact O-N 3.14Å; S222-S225 PolarHBondContact O-OG 2.91Å; L223-S225 PolarHBondContact O-N 3.39Å; L223-S225 VanDerWaalsContact O-N 3.15Å
226F86.2Confident89.1Confident59 Ų5969.9 Ų69.926%0.25935%0.351SS..SBendtrans-73.2149.2178-65-22.9000112.6L223 I229 F358 I360L223-F226 HydrophobicContact CD2-CD2 4.19Å; L223-F226 HydrophobicContact CD2-CE2 3.49Å; L223-F226 VanDerWaalsContact CD2-CE2 3.49Å; L223-F226 HydrophobicContact CD2-CZ 4.2Å; L223-F226 PolarHBondContact O-N 3.1Å; L223-F226 VanDerWaalsContact O-N 3.15Å; F226-I229 HydrophobicContact CB-CG1 4.47Å; F226-I229 VanDerWaalsContact O-CD1 3.3Å; F226-I229 WeakPolarHBondContact O-CD1 3.17Å; F226-I229 WeakPolarHBondContact O-CG1 3.28Å; F226-F358 HydrophobicContact CD2-CB 4.11Å; F226-I360 HydrophobicContact CD2-CG1 4.21Å; F226-I360 HydrophobicContact CE2-CB 4.39Å; F226-I360 HydrophobicContact CE2-CD1 4.37Å; F226-I360 HydrophobicContact CE2-CG1 3.41Å; F226-I360 VanDerWaalsContact CE2-CG1 3.41Å; F226-I360 HydrophobicContact CZ-CG1 3.88Å
227E85.1Confident89.6Confident173 Ų17373.4 Ų73.481%0.80836%0.36SS*.SBendtrans-68.8-37.7179.2-169.8-177.3168.300111.9
228K89.9Confident90Very high75 Ų7569 Ų6933%0.32635%0.348SS..EExtended strand (participates in β ladder)trans-10386.2-175.3-70.4-175.3-179.1169.50112L258 Q359 Q361K228-L258 HydrophobicContact CB-CD2 4.09Å; K228-Q359 HydrophobicContact CB-CB 3.88Å; K228-Q359 HydrophobicContact CD-CB 4.47Å; K228-Q359 HydrophobicContact CD-CG 4.42Å; K228-Q359 PolarHBondContact O-N 3.25Å; K228-Q361 HydrophobicContact CD-CG 4.34Å
229I93.2Very high90.1Very high63 Ų6368 Ų6832%0.32334%0.337SS..EExtended strand (participates in β ladder)trans-110.7125.3175.6-53.1173.6000109.4L224 F226 F358L224-I229 WeakPolarHBondContact O-CD1 3.43Å; F226-I229 HydrophobicContact CB-CG1 4.47Å; F226-I229 VanDerWaalsContact O-CD1 3.3Å; F226-I229 WeakPolarHBondContact O-CD1 3.17Å; F226-I229 WeakPolarHBondContact O-CG1 3.28Å; I229-F358 HydrophobicContact CB-CD1 4.38Å; I229-F358 HydrophobicContact CB-CE1 4.39Å; I229-F358 HydrophobicContact CD1-CD1 4.26Å; I229-F358 HydrophobicContact CD1-CE1 4.01Å; I229-F358 HydrophobicContact CG1-CD1 3.8Å; I229-F358 HydrophobicContact CG1-CE1 3.96Å; I229-F358 HydrophobicContact CG2-CD1 3.97Å; I229-F358 HydrophobicContact CG2-CE1 3.61Å; I229-F358 HydrophobicContact CG2-CZ 4.2Å
230G91.7Very high90Very high7 Ų768.8 Ų68.87%0.07233%0.332CS..EExtended strand (participates in β ladder)trans-107.8134.3175.300000110.9V257 F356 L357G230-V257 VanDerWaalsContact CA-CG1 3.47Å; G230-F356 WeakPolarHBondContact O-CA 3.39Å; G230-L357 PolarHBondContact N-O 2.94Å; G230-L357 PolarHBondContact O-N 2.95Å
231Y92.1Very high89.8Confident111 Ų11168.9 Ų68.944%0.43533%0.334SS..EExtended strand (participates in β ladder)trans-129.8136.6172.7163.5-102000109.4E233 R354 F356Y231-E233 HydrophobicContact CE1-CG 4.48Å; Y231-E233 VanDerWaalsContact OH-CG 3.27Å; Y231-E233 WeakPolarHBondContact OH-CG 3.19Å; Y231-E233 PolarHBondContact OH-OE1 3.17Å; Y231-R354 HydrophobicContact CE2-CB 4.16Å; Y231-R354 HydrophobicContact CE2-CG 4.01Å; Y231-F356 HydrophobicContact CD2-CD1 4.11Å; Y231-F356 HydrophobicContact CD2-CD2 4.34Å; Y231-F356 AromaticContact CD2-CE1 3.62Å; Y231-F356 HydrophobicContact CD2-CE1 3.62Å; Y231-F356 AromaticContact CD2-CE2 3.87Å; Y231-F356 HydrophobicContact CD2-CE2 3.87Å; Y231-F356 HydrophobicContact CD2-CG 4.45Å; Y231-F356 AromaticContact CD2-CZ 3.48Å; Y231-F356 HydrophobicContact CD2-CZ 3.48Å; Y231-F356 VanDerWaalsContact CD2-CZ 3.48Å; Y231-F356 HydrophobicContact CE2-CE1 4.38Å; Y231-F356 HydrophobicContact CE2-CE2 4.06Å; Y231-F356 AromaticContact CE2-CZ 3.81Å; Y231-F356 HydrophobicContact CE2-CZ 3.81Å; Y231-F356 HydrophobicContact CG-CE1 4.27Å; Y231-F356 HydrophobicContact CG-CZ 4.5Å
232T94Very high89.2Confident33 Ų3370.5 Ų70.520%0.20235%0.349CS..EExtended strand (participates in β ladder)trans-154.8150.4171.3-166.30000111.4V234 F255 V257 L355T232-V234 HydrophobicContact CG2-CG1 3.75Å; T232-F255 HydrophobicContact CG2-CD2 3.75Å; T232-F255 HydrophobicContact CG2-CE2 3.83Å; T232-F255 HydrophobicContact CG2-CG 4.49Å; T232-V257 HydrophobicContact CG2-CG2 3.58Å; T232-L355 HydrophobicContact CG2-CB 4.15Å; T232-L355 HydrophobicContact CG2-CD2 4.29Å; T232-L355 PolarHBondContact N-O 3.16Å; T232-L355 PolarHBondContact O-N 2.69Å
233E93.4Very high88.5Confident96 Ų9671.3 Ų71.345%0.44935%0.348SS..EExtended strand (participates in β ladder)trans-90.5124.1170.3-55.5-159.2142.300108.7Y231 P307 R354Y231-E233 HydrophobicContact CE1-CG 4.48Å; Y231-E233 VanDerWaalsContact OH-CG 3.27Å; Y231-E233 WeakPolarHBondContact OH-CG 3.19Å; Y231-E233 PolarHBondContact OH-OE1 3.17Å; E233-P307 VanDerWaalsContact OE1-CD 3.26Å; E233-P307 WeakPolarHBondContact OE1-CD 3.33Å; E233-P307 VanDerWaalsContact OE1-CG 3.31Å; E233-P307 WeakPolarHBondContact OE1-CG 3.2Å; E233-P307 WeakPolarHBondContact OE2-CG 3.36Å; E233-R354 HydrophobicContact CG-CG 4.21Å; E233-R354 IonicContact OE1-CZ 3.53Å; E233-R354 IonicContact OE1-NE 3.67Å; E233-R354 PolarHBondContact OE1-NE 2.97Å; E233-R354 IonicContact OE1-NH2 3.2Å; E233-R354 PolarHBondContact OE1-NH2 2.97Å
234V93.7Very high87.4Confident6 Ų680.9 Ų80.94%0.03639%0.39CS..EExtended strand (participates in β ladder)trans-109.5132.3-175.9-62.70000110.2T232 F236 T252 F255 L264 L303 N352 L353 L355T232-V234 HydrophobicContact CG2-CG1 3.75Å; V234-F236 HydrophobicContact CG2-CD2 4.34Å; V234-F236 HydrophobicContact CG2-CE2 3.83Å; V234-T252 HydrophobicContact CB-CG2 3.99Å; V234-F255 HydrophobicContact CG1-CD1 4.11Å; V234-F255 HydrophobicContact CG1-CE1 3.81Å; V234-F255 HydrophobicContact CG1-CE2 4.35Å; V234-F255 HydrophobicContact CG1-CZ 3.95Å; V234-L264 HydrophobicContact CB-CD1 4.21Å; V234-L264 HydrophobicContact CG1-CD1 4.04Å; V234-L264 HydrophobicContact CG2-CD1 3.81Å; V234-L303 HydrophobicContact CG2-CD1 3.95Å; V234-N352 WeakPolarHBondContact O-CA 3.36Å; V234-L353 HydrophobicContact CG2-CB 4.02Å; V234-L353 WeakPolarHBondContact CG2-O 3.49Å; V234-L353 PolarHBondContact N-O 3.25Å; V234-L353 PolarHBondContact O-N 3.16Å; V234-L355 HydrophobicContact CG1-CB 4.02Å; V234-L355 HydrophobicContact CG1-CD2 4.36Å; V234-L355 HydrophobicContact CG2-CB 4.44Å
235Q93.4Very high86.5Confident67 Ų6780 Ų8031%0.31339%0.385SS..EExtended strand (participates in β ladder)trans-110.1111.3175.8179.717481.100109.6T252 P253 N350 N352Q235-T252 WeakPolarHBondContact O-CA 3.45Å; Q235-P253 WeakPolarHBondContact O-CD 3.47Å; Q235-N350 VanDerWaalsContact CD-ND2 3.34Å; Q235-N350 HydrophobicContact CG-CB 3.7Å; Q235-N350 PolarHBondContact NE2-ND2 2.82Å; Q235-N350 PolarHBondContact OE1-ND2 3.32Å; Q235-N352 WeakPolarHBondContact CG-OD1 3.43Å; Q235-N352 PolarHBondContact NE2-OD1 3.33Å
236F93.9Very high85.8Confident4 Ų478.5 Ų78.52%0.01837%0.372CS..EExtended strand (participates in β ladder)trans-79.2121.8172.4-76.7-93.2000109.8V234 Y250 T252 L264 A266 L303 N350 I351 L353V234-F236 HydrophobicContact CG2-CD2 4.34Å; V234-F236 HydrophobicContact CG2-CE2 3.83Å; F236-Y250 HydrophobicContact CB-CD1 4.18Å; F236-T252 HydrophobicContact CD1-CG2 3.88Å; F236-T252 HydrophobicContact CD2-CG2 3.88Å; F236-T252 HydrophobicContact CE1-CG2 3.99Å; F236-T252 HydrophobicContact CE2-CG2 3.97Å; F236-T252 HydrophobicContact CG-CG2 3.85Å; F236-T252 HydrophobicContact CZ-CG2 4.05Å; F236-L264 HydrophobicContact CE1-CB 3.69Å; F236-L264 HydrophobicContact CE2-CB 4.42Å; F236-L264 HydrophobicContact CE2-CD1 4.21Å; F236-L264 HydrophobicContact CZ-CB 3.5Å; F236-L264 HydrophobicContact CZ-CD1 3.9Å; F236-L264 HydrophobicContact CZ-CG 4.22Å; F236-A266 HydrophobicContact CD1-CB 4.01Å; F236-A266 HydrophobicContact CE1-CB 3.7Å; F236-L303 HydrophobicContact CE2-CD2 4.23Å; F236-L303 HydrophobicContact CZ-CD2 4.27Å; F236-N350 WeakPolarHBondContact O-CA 3.42Å; F236-I351 HydrophobicContact CB-CB 3.97Å; F236-I351 WeakPolarHBondContact CB-O 3.4Å; F236-I351 HydrophobicContact CD2-CG2 4.48Å; F236-I351 PolarHBondContact N-O 2.86Å; F236-I351 PolarHBondContact O-N 3.47Å; F236-I351 VanDerWaalsContact O-N 3.09Å; F236-L353 HydrophobicContact CD2-CD1 4.25Å; F236-L353 HydrophobicContact CE2-CB 4.46Å; F236-L353 HydrophobicContact CE2-CD1 3.88Å
237R93.6Very high85.5Confident135 Ų13579.7 Ų79.751%0.50938%0.375SS..EExtended strand (participates in β ladder)trans-101.7135175.8-63.4-178.7-177.6170.81.6109.3Y250 E251R237-Y250 WeakPolarHBondContact O-CA 3.48Å; R237-E251 PolarHBondContact N-O 2.81Å; R237-E251 PolarHBondContact O-N 3.34Å
238P91.9Very high85.5Confident41 Ų4172.1 Ų72.127%0.26634%0.34SS..EExtended strand (participates in β ladder)trans-70.6140.5178.329.5-33.8000110.4L248 Y249 Y250 K349P238-L248 HydrophobicContact CB-CD1 3.78Å; P238-Y249 CarbonylContact C-O 3.47Å; P238-Y249 VanDerWaalsContact CA-O 3.32Å; P238-Y249 WeakPolarHBondContact CA-O 3.26Å; P238-Y250 HydrophobicContact CB-CD1 4.14Å; P238-Y250 HydrophobicContact CB-CE1 3.84Å; P238-K349 WeakPolarHBondContact CD-O 3.31Å
239Y89.8Confident85.5Confident78 Ų7869.7 Ų69.731%0.30633%0.329SS..EExtended strand (participates in β ladder)trans-140.4160166.673-82.9000109.4Y249 E251Y239-Y249 HydrophobicContact CE1-CG 4.45Å; Y239-Y249 HydrophobicContact CE2-CD2 4.15Å; Y239-Y249 HydrophobicContact CE2-CG 4.18Å; Y239-Y249 AromaticContact CZ-CG 3.94Å; Y239-Y249 PolarHBondContact N-O 3.19Å; Y239-Y249 PolarHBondContact O-N 2.87Å; Y239-Y249 VanDerWaalsContact O-O 3.07Å; Y239-Y249 WeakPolarHBondContact OH-CB 3.48Å; Y239-E251 HydrophobicContact CD1-CB 3.85Å; Y239-E251 HydrophobicContact CE1-CB 3.53Å
240R85.4Confident85.5Confident68 Ų6866.7 Ų66.726%0.25731%0.313SS..EExtended strand (participates in β ladder)trans-122159178.9-69.5-173.1177.789.73.3110.8R102 E105 R247 L248R102-R240 PolarHBondContact O-NH2 3.17Å; E105-R240 VanDerWaalsContact CD-CD 3.42Å; E105-R240 VanDerWaalsContact CD-CZ 3.48Å; E105-R240 VanDerWaalsContact CD-NH1 3.31Å; E105-R240 WeakPolarHBondContact OE1-CD 3.32Å; E105-R240 IonicContact OE1-CZ 3.02Å; E105-R240 IonicContact OE1-NE 3.37Å; E105-R240 IonicContact OE1-NH1 2.65Å; E105-R240 PolarHBondContact OE1-NH1 3.42Å; E105-R240 WeakPolarHBondContact OE2-CD 3.16Å; E105-R240 IonicContact OE2-CZ 3.4Å; E105-R240 IonicContact OE2-NE 3.92Å; E105-R240 PolarHBondContact OE2-NE 2.93Å; R240-R247 WeakPolarHBondContact CA-O 3.45Å; R240-L248 HydrophobicContact CG-CD1 4.45Å
241T81.4Confident85.7Confident35 Ų3569.6 Ų69.622%0.21533%0.325CS..  trans-95.9146.6173.938.60000109D243 R247 Y249T241-D243 PolarHBondContact O-N 3.05Å; T241-R247 PolarHBondContact N-O 3.45Å; T241-R247 PolarHBondContact OG1-N 2.85Å; T241-Y249 HydrophobicContact CG2-CD2 3.87Å; T241-Y249 HydrophobicContact CG2-CE2 3.49Å; T241-Y249 VanDerWaalsContact CG2-CE2 3.49Å
242D74.2Confident85.9Confident172 Ų17264.6 Ų64.692%0.9231%0.306SS*.  trans-77.721.9178.2-60.6-32.2000112.8
243D72.9Confident85.9Confident84 Ų8465.7 Ų65.745%0.44931%0.314SS..SBendtrans-70.5156.2176.6-68.4-34.7000110.7T241 I245T241-D243 PolarHBondContact O-N 3.05Å; D243-I245 CarbonylContact O-C 3.59Å; D243-I245 PolarHBondContact O-N 3.07Å
244F65.1Low86Confident215 Ų21570.4 Ų70.494%0.94333%0.327SS*.SBendtrans-53.6-30.3177.1-176.6-96.2000113.5
245I68.6Low86.2Confident68 Ų6871.3 Ų71.335%0.34933%0.331SS..SBendtrans-111105.4166.8-59173.5000106.4D243 R247 R273D243-I245 CarbonylContact O-C 3.59Å; D243-I245 PolarHBondContact O-N 3.07Å; I245-R247 PolarHBondContact O-N 3.44Å; I245-R247 VanDerWaalsContact O-N 3.15Å; I245-R273 HydrophobicContact CD1-CG 4.17Å
246T71.9Confident86.2Confident58 Ų5872.7 Ų72.736%0.35634%0.344SS..PPolyproline II helixtrans-64.3117.8-178.559.70000109.8E105E105-T246 PolarHBondContact OE2-OG1 3.41Å
247R79.5Confident86.3Confident85 Ų8573.1 Ų73.132%0.32135%0.347SS..PPolyproline II helixtrans-95.5133.8178.1-66.7177-177.3173.62.3110.2R240 T241 I245 Y249R240-R247 WeakPolarHBondContact CA-O 3.45Å; T241-R247 PolarHBondContact N-O 3.45Å; T241-R247 PolarHBondContact OG1-N 2.85Å; I245-R247 PolarHBondContact O-N 3.44Å; I245-R247 VanDerWaalsContact O-N 3.15Å; R247-Y249 HydrophobicContact CB-CD2 4.19Å; R247-Y249 HydrophobicContact CB-CE2 3.48Å; R247-Y249 VanDerWaalsContact CB-CE2 3.48Å; R247-Y249 WeakPolarHBondContact CD-OH 3.31Å; R247-Y249 WeakPolarHBondContact O-CD2 3.36Å
248L85.8Confident86.2Confident13 Ų1368.7 Ų68.77%0.06833%0.333CS..EExtended strand (participates in β ladder)trans-80.7120175.1-177.965.3000110.5R102 L103 P238 R240 Y250R102-L248 HydrophobicContact CG-CD2 3.82Å; L103-L248 HydrophobicContact CD2-CD2 3.92Å; P238-L248 HydrophobicContact CB-CD1 3.78Å; R240-L248 HydrophobicContact CG-CD1 4.45Å; L248-Y250 HydrophobicContact CD1-CE2 4.42Å; L248-Y250 HydrophobicContact CD2-CE2 3.77Å; L248-Y250 HydrophobicContact CG-CD2 4.48Å; L248-Y250 HydrophobicContact CG-CE2 3.81Å
249Y90.1Very high86.1Confident24 Ų2474.1 Ų74.19%0.09436%0.36CS..EExtended strand (participates in β ladder)trans-121.4165171.8-64.6-80.5000110P238 Y239 T241 R247 R267 S271P238-Y249 CarbonylContact C-O 3.47Å; P238-Y249 VanDerWaalsContact CA-O 3.32Å; P238-Y249 WeakPolarHBondContact CA-O 3.26Å; Y239-Y249 HydrophobicContact CE1-CG 4.45Å; Y239-Y249 HydrophobicContact CE2-CD2 4.15Å; Y239-Y249 HydrophobicContact CE2-CG 4.18Å; Y239-Y249 AromaticContact CZ-CG 3.94Å; Y239-Y249 PolarHBondContact N-O 3.19Å; Y239-Y249 PolarHBondContact O-N 2.87Å; Y239-Y249 VanDerWaalsContact O-O 3.07Å; Y239-Y249 WeakPolarHBondContact OH-CB 3.48Å; T241-Y249 HydrophobicContact CG2-CD2 3.87Å; T241-Y249 HydrophobicContact CG2-CE2 3.49Å; T241-Y249 VanDerWaalsContact CG2-CE2 3.49Å; R247-Y249 HydrophobicContact CB-CD2 4.19Å; R247-Y249 HydrophobicContact CB-CE2 3.48Å; R247-Y249 VanDerWaalsContact CB-CE2 3.48Å; R247-Y249 WeakPolarHBondContact CD-OH 3.31Å; R247-Y249 WeakPolarHBondContact O-CD2 3.36Å; Y249-R267 HydrophobicContact CD1-CB 4.35Å; Y249-R267 HydrophobicContact CD1-CG 3.8Å; Y249-R267 HydrophobicContact CE1-CB 4.35Å; Y249-R267 HydrophobicContact CE1-CG 3.76Å; Y249-S271 WeakPolarHBondContact CE1-OG 3.31Å; Y249-S271 PolarHBondContact OH-OG 3.44Å
250Y93.2Very high86.3Confident0 Ų072.1 Ų72.10%035%0.353CS..EExtended strand (participates in β ladder)trans-129.9135.8176.9-72.5-91.5000109.7F236 R237 P238 L248 K265 A266 V268 L283 L346 I351F236-Y250 HydrophobicContact CB-CD1 4.18Å; R237-Y250 WeakPolarHBondContact O-CA 3.48Å; P238-Y250 HydrophobicContact CB-CD1 4.14Å; P238-Y250 HydrophobicContact CB-CE1 3.84Å; L248-Y250 HydrophobicContact CD1-CE2 4.42Å; L248-Y250 HydrophobicContact CD2-CE2 3.77Å; L248-Y250 HydrophobicContact CG-CD2 4.48Å; L248-Y250 HydrophobicContact CG-CE2 3.81Å; Y250-K265 CarbonylContact O-C 3.39Å; Y250-K265 WeakPolarHBondContact O-CA 3.38Å; Y250-A266 PolarHBondContact N-O 3.26Å; Y250-A266 PolarHBondContact O-N 3.18Å; Y250-V268 HydrophobicContact CD2-CG2 4.22Å; Y250-V268 HydrophobicContact CE2-CG2 3.87Å; Y250-L283 HydrophobicContact CD2-CD1 4.48Å; Y250-L346 HydrophobicContact CE2-CD2 3.95Å; Y250-I351 HydrophobicContact CD1-CD1 3.95Å; Y250-I351 HydrophobicContact CD1-CG1 4.48Å; Y250-I351 HydrophobicContact CD2-CD1 4.36Å; Y250-I351 HydrophobicContact CE1-CD1 3.66Å; Y250-I351 HydrophobicContact CE1-CG1 4.11Å; Y250-I351 HydrophobicContact CE2-CD1 4.12Å; Y250-I351 HydrophobicContact CG-CD1 4.28Å
251E95.3Very high86.8Confident69 Ų6970.8 Ų70.832%0.32235%0.353SS..EExtended strand (participates in β ladder)trans-138.1142.8176.5179.3172.3-129.700110R237 Y239 V263 L264 K265R237-E251 PolarHBondContact N-O 2.81Å; R237-E251 PolarHBondContact O-N 3.34Å; Y239-E251 HydrophobicContact CD1-CB 3.85Å; Y239-E251 HydrophobicContact CE1-CB 3.53Å; E251-V263 HydrophobicContact CG-CG1 3.73Å; E251-V263 WeakPolarHBondContact OE1-CG1 3.31Å; E251-L264 WeakPolarHBondContact CA-O 3.09Å; E251-K265 HydrophobicContact CB-CG 4.45Å; E251-K265 HydrophobicContact CG-CG 4.2Å; E251-K265 WeakPolarHBondContact OE1-CE 3.31Å
252T96.4Very high87.5Confident5 Ų569.2 Ų69.23%0.03134%0.343CS..PPolyproline II helixtrans-86.6147.817266.30000110.1V234 Q235 F236 F255 L264V234-T252 HydrophobicContact CB-CG2 3.99Å; Q235-T252 WeakPolarHBondContact O-CA 3.45Å; F236-T252 HydrophobicContact CD1-CG2 3.88Å; F236-T252 HydrophobicContact CD2-CG2 3.88Å; F236-T252 HydrophobicContact CE1-CG2 3.99Å; F236-T252 HydrophobicContact CE2-CG2 3.97Å; F236-T252 HydrophobicContact CG-CG2 3.85Å; F236-T252 HydrophobicContact CZ-CG2 4.05Å; T252-F255 WeakPolarHBondContact OG1-CE1 3.38Å; T252-L264 HydrophobicContact CG2-CB 3.78Å; T252-L264 HydrophobicContact CG2-CD1 4.45Å; T252-L264 PolarHBondContact N-O 3.49Å; T252-L264 PolarHBondContact OG1-N 3.1Å
253P95.1Very high88.6Confident56 Ų5661.2 Ų61.236%0.36430%0.3SS..PPolyproline II helixtrans-52156.1159.8-22.433.8000110.8Q235 F255Q235-P253 WeakPolarHBondContact O-CD 3.47Å; P253-F255 WeakPolarHBondContact O-CD1 3.27Å; P253-F255 PolarHBondContact O-N 2.98Å
254R95.8Very high89.7Confident195 Ų19557.2 Ų57.274%0.73628%0.279SS*.PPolyproline II helixtrans-59.4128.9172-69.5177.5-172.91543.3109.1T261 W262 V263R254-T261 HydrophobicContact CB-CG2 3.94Å; R254-T261 HydrophobicContact CG-CG2 4.32Å; R254-W262 WeakPolarHBondContact CA-O 3.35Å; R254-V263 HydrophobicContact CB-CG2 4.38Å; R254-V263 HydrophobicContact CG-CG2 3.58Å
255F96.1Very high91.1Very high26 Ų2649.3 Ų49.311%0.11424%0.244CC..EExtended strand (participates in β ladder)trans-126.7154.2175.761.3-92.7000109.9T232 V234 T252 P253 V257 T261 W262 L264 L287 L355T232-F255 HydrophobicContact CG2-CD2 3.75Å; T232-F255 HydrophobicContact CG2-CE2 3.83Å; T232-F255 HydrophobicContact CG2-CG 4.49Å; V234-F255 HydrophobicContact CG1-CD1 4.11Å; V234-F255 HydrophobicContact CG1-CE1 3.81Å; V234-F255 HydrophobicContact CG1-CE2 4.35Å; V234-F255 HydrophobicContact CG1-CZ 3.95Å; T252-F255 WeakPolarHBondContact OG1-CE1 3.38Å; P253-F255 WeakPolarHBondContact O-CD1 3.27Å; P253-F255 PolarHBondContact O-N 2.98Å; F255-V257 HydrophobicContact CD2-CG2 3.98Å; F255-V257 HydrophobicContact CE2-CG2 4.33Å; F255-T261 WeakPolarHBondContact O-CA 3.43Å; F255-W262 HydrophobicContact CD2-CB 4.05Å; F255-W262 HydrophobicContact CE1-CB 4.14Å; F255-W262 HydrophobicContact CE2-CB 3.47Å; F255-W262 VanDerWaalsContact CE2-CB 3.47Å; F255-W262 HydrophobicContact CE2-CG 4.04Å; F255-W262 HydrophobicContact CZ-CB 3.51Å; F255-W262 HydrophobicContact CZ-CG 4.44Å; F255-W262 PolarHBondContact N-O 3.45Å; F255-W262 VanDerWaalsContact N-O 3.08Å; F255-W262 PolarHBondContact O-N 2.85Å; F255-L264 HydrophobicContact CE1-CD1 4.28Å; F255-L264 HydrophobicContact CE1-CG 4.33Å; F255-L264 HydrophobicContact CZ-CD1 4.19Å; F255-L264 HydrophobicContact CZ-CG 4.29Å; F255-L287 HydrophobicContact CZ-CD1 4.47Å; F255-L355 HydrophobicContact CE2-CD2 3.51Å; F255-L355 HydrophobicContact CZ-CD2 3.41Å; F255-L355 VanDerWaalsContact CZ-CD2 3.41Å
256T95.1Very high92.3Very high96 Ų9646.1 Ų46.159%0.58923%0.228SC*.EExtended strand (participates in β ladder)trans-115.1123-176.7-57.80000109.7Q260T256-Q260 CarbonylContact C-O 3.59Å; T256-Q260 VanDerWaalsContact CA-O 3.28Å; T256-Q260 WeakPolarHBondContact CA-O 3.41Å; T256-Q260 WeakPolarHBondContact CG2-O 3.3Å
257V94.3Very high93.1Very high13 Ų1347.4 Ų47.48%0.07923%0.226CC..EExtended strand (participates in β ladder)trans-143.4138.2179169.20000108G230 T232 F255 N259 Q260 W262 L357G230-V257 VanDerWaalsContact CA-CG1 3.47Å; T232-V257 HydrophobicContact CG2-CG2 3.58Å; F255-V257 HydrophobicContact CD2-CG2 3.98Å; F255-V257 HydrophobicContact CE2-CG2 4.33Å; V257-N259 PolarHBondContact O-N 3.44Å; V257-Q260 PolarHBondContact N-O 3.22Å; V257-Q260 PolarHBondContact O-N 3.47Å; V257-Q260 VanDerWaalsContact O-N 3.07Å; V257-Q260 VanDerWaalsContact O-O 3.09Å; V257-W262 PolarHBondContact O-NE1 2.95Å; V257-L357 HydrophobicContact CG1-CB 4.39Å
258L92Very high93.5Very high42 Ų4243.8 Ų43.822%0.2221%0.213CC..THydrogen-bonded Turntrans53.740.1-177-61.7174.4000113.1K228 Q260 L357 Q359K228-L258 HydrophobicContact CB-CD2 4.09Å; L258-Q260 PolarHBondContact O-N 3.38Å; L258-Q260 VanDerWaalsContact O-N 3.12Å; L258-L357 HydrophobicContact CD1-CB 4.1Å; L258-Q359 HydrophobicContact CD1-CB 3.97Å
259N90.5Very high93.2Very high155 Ų15543.6 Ų43.683%0.82921%0.213SC*.THydrogen-bonded Turntrans57.920.8-177.4-59.4-10.6000114.7V257V257-N259 PolarHBondContact O-N 3.44Å
260Q93.6Very high92.2Very high35 Ų3547.6 Ų47.616%0.16424%0.236CC..EExtended strand (participates in β ladder)trans-122.6149.7175.7-61.5-60.2-27.100109.7T256 V257 L258 W262 L289 S291 L297T256-Q260 CarbonylContact C-O 3.59Å; T256-Q260 VanDerWaalsContact CA-O 3.28Å; T256-Q260 WeakPolarHBondContact CA-O 3.41Å; T256-Q260 WeakPolarHBondContact CG2-O 3.3Å; V257-Q260 PolarHBondContact N-O 3.22Å; V257-Q260 PolarHBondContact O-N 3.47Å; V257-Q260 VanDerWaalsContact O-N 3.07Å; V257-Q260 VanDerWaalsContact O-O 3.09Å; L258-Q260 PolarHBondContact O-N 3.38Å; L258-Q260 VanDerWaalsContact O-N 3.12Å; Q260-W262 HydrophobicContact CB-CZ2 3.69Å; Q260-W262 HydrophobicContact CG-CZ2 4.19Å; Q260-W262 PolarHBondContact O-NE1 3.4Å; Q260-L289 HydrophobicContact CB-CD1 3.81Å; Q260-L289 HydrophobicContact CG-CD1 4.34Å; Q260-S291 WeakPolarHBondContact CA-OG 3.15Å; Q260-S291 PolarHBondContact OE1-OG 3.35Å; Q260-L297 HydrophobicContact CG-CD1 3.7Å
261T95.8Very high90.6Very high40 Ų4048.6 Ų48.625%0.24524%0.243CC..EExtended strand (participates in β ladder)trans-99.2127.2178-56.10000109.7R254 F255 K290 S291R254-T261 HydrophobicContact CB-CG2 3.94Å; R254-T261 HydrophobicContact CG-CG2 4.32Å; F255-T261 WeakPolarHBondContact O-CA 3.43Å; T261-K290 HydrophobicContact CG2-CB 4.25Å; T261-K290 PolarHBondContact O-N 3.37Å; T261-S291 PolarHBondContact N-OG 3.32Å; T261-S291 PolarHBondContact O-N 3.28Å
262W96.4Very high89.1Confident2 Ų250.3 Ų50.31%0.00825%0.251CS..EExtended strand (participates in β ladder)trans-124.2158-173.6-52.991.3000111.4R254 F255 V257 Q260 L287 L288 L289 F322 L357R254-W262 WeakPolarHBondContact CA-O 3.35Å; F255-W262 HydrophobicContact CD2-CB 4.05Å; F255-W262 HydrophobicContact CE1-CB 4.14Å; F255-W262 HydrophobicContact CE2-CB 3.47Å; F255-W262 VanDerWaalsContact CE2-CB 3.47Å; F255-W262 HydrophobicContact CE2-CG 4.04Å; F255-W262 HydrophobicContact CZ-CB 3.51Å; F255-W262 HydrophobicContact CZ-CG 4.44Å; F255-W262 PolarHBondContact N-O 3.45Å; F255-W262 VanDerWaalsContact N-O 3.08Å; F255-W262 PolarHBondContact O-N 2.85Å; V257-W262 PolarHBondContact O-NE1 2.95Å; Q260-W262 HydrophobicContact CB-CZ2 3.69Å; Q260-W262 HydrophobicContact CG-CZ2 4.19Å; Q260-W262 PolarHBondContact O-NE1 3.4Å; W262-L287 HydrophobicContact CB-CD1 4.27Å; W262-L287 HydrophobicContact CE3-CD1 4.02Å; W262-L287 HydrophobicContact CE3-CD2 4.18Å; W262-L287 HydrophobicContact CE3-CG 3.99Å; W262-L287 HydrophobicContact CZ3-CD2 4.26Å; W262-L287 HydrophobicContact CZ3-CG 4.37Å; W262-L288 CarbonylContact C-O 3.6Å; W262-L288 VanDerWaalsContact CA-O 3.26Å; W262-L288 WeakPolarHBondContact CA-O 3.35Å; W262-L289 HydrophobicContact CD2-CD1 4.08Å; W262-L289 HydrophobicContact CE3-CB 4Å; W262-L289 HydrophobicContact CE3-CD1 3.92Å; W262-L289 HydrophobicContact CH2-CB 4.44Å; W262-L289 HydrophobicContact CH2-CD1 3.78Å; W262-L289 HydrophobicContact CH2-CD2 4.49Å; W262-L289 HydrophobicContact CH2-CG 4.47Å; W262-L289 HydrophobicContact CZ2-CD1 3.92Å; W262-L289 HydrophobicContact CZ3-CB 3.75Å; W262-L289 HydrophobicContact CZ3-CD1 3.78Å; W262-L289 HydrophobicContact CZ3-CG 4.23Å; W262-F322 AromaticContact CH2-CD2 3.95Å; W262-F322 HydrophobicContact CH2-CD2 3.95Å; W262-F322 HydrophobicContact CH2-CE2 4.03Å; W262-F322 HydrophobicContact CH2-CG 4.35Å; W262-F322 HydrophobicContact CZ3-CD1 4.14Å; W262-F322 AromaticContact CZ3-CD2 3.92Å; W262-F322 HydrophobicContact CZ3-CD2 3.92Å; W262-F322 AromaticContact CZ3-CE1 3.94Å; W262-F322 HydrophobicContact CZ3-CE1 3.94Å; W262-F322 AromaticContact CZ3-CE2 3.71Å; W262-F322 HydrophobicContact CZ3-CE2 3.71Å; W262-F322 HydrophobicContact CZ3-CG 4.13Å; W262-F322 AromaticContact CZ3-CZ 3.73Å; W262-F322 HydrophobicContact CZ3-CZ 3.73Å; W262-L357 HydrophobicContact CD2-CD2 4.11Å; W262-L357 HydrophobicContact CE3-CD2 4.46Å; W262-L357 HydrophobicContact CH2-CD2 3.87Å; W262-L357 HydrophobicContact CZ2-CD2 3.45Å; W262-L357 VanDerWaalsContact CZ2-CD2 3.45Å; W262-L357 HydrophobicContact CZ3-CD2 4.35Å
263V97.1Very high87.2Confident4 Ų458.8 Ų58.82%0.02428%0.282CS..EExtended strand (participates in β ladder)trans-139.2136.8169.7174.40000107.8E251 R254 K265 L288 K290E251-V263 HydrophobicContact CG-CG1 3.73Å; E251-V263 WeakPolarHBondContact OE1-CG1 3.31Å; R254-V263 HydrophobicContact CB-CG2 4.38Å; R254-V263 HydrophobicContact CG-CG2 3.58Å; V263-K265 HydrophobicContact CG1-CG 4.42Å; V263-L288 HydrophobicContact CB-CB 4.43Å; V263-L288 PolarHBondContact N-O 3.1Å; V263-L288 WeakPolarHBondContact O-CB 3.32Å; V263-L288 WeakPolarHBondContact O-CD1 3.49Å; V263-L288 PolarHBondContact O-N 3.44Å; V263-K290 HydrophobicContact CB-CG 4.42Å; V263-K290 HydrophobicContact CG2-CG 3.76Å
264L96.3Very high85.5Confident0 Ų060 Ų600%029%0.285CS..EExtended strand (participates in β ladder)trans-104.7137.4168.3-76.8161.2000109.6V234 F236 E251 T252 F255 F285 Q286 L287 L303 L355V234-L264 HydrophobicContact CB-CD1 4.21Å; V234-L264 HydrophobicContact CG1-CD1 4.04Å; V234-L264 HydrophobicContact CG2-CD1 3.81Å; F236-L264 HydrophobicContact CE1-CB 3.69Å; F236-L264 HydrophobicContact CE2-CB 4.42Å; F236-L264 HydrophobicContact CE2-CD1 4.21Å; F236-L264 HydrophobicContact CZ-CB 3.5Å; F236-L264 HydrophobicContact CZ-CD1 3.9Å; F236-L264 HydrophobicContact CZ-CG 4.22Å; E251-L264 WeakPolarHBondContact CA-O 3.09Å; T252-L264 HydrophobicContact CG2-CB 3.78Å; T252-L264 HydrophobicContact CG2-CD1 4.45Å; T252-L264 PolarHBondContact N-O 3.49Å; T252-L264 PolarHBondContact OG1-N 3.1Å; F255-L264 HydrophobicContact CE1-CD1 4.28Å; F255-L264 HydrophobicContact CE1-CG 4.33Å; F255-L264 HydrophobicContact CZ-CD1 4.19Å; F255-L264 HydrophobicContact CZ-CG 4.29Å; L264-F285 HydrophobicContact CD2-CD2 3.78Å; L264-F285 HydrophobicContact CD2-CE2 4.23Å; L264-Q286 WeakPolarHBondContact CA-O 3.32Å; L264-L287 HydrophobicContact CD2-CB 3.89Å; L264-L287 HydrophobicContact CD2-CD1 3.65Å; L264-L287 HydrophobicContact CD2-CG 4.36Å; L264-L287 HydrophobicContact CG-CD1 3.84Å; L264-L303 HydrophobicContact CD1-CD1 4.23Å; L264-L355 HydrophobicContact CD1-CD1 4.42Å; L264-L355 HydrophobicContact CD1-CD2 4.02Å
265K95Very high83.7Confident50 Ų5052 Ų5222%0.21726%0.259CS..EExtended strand (participates in β ladder)trans-118.7142.7170.8-70.2-178.4176.6-176.30109.4Y250 E251 V263 F285 Q286 L288Y250-K265 CarbonylContact O-C 3.39Å; Y250-K265 WeakPolarHBondContact O-CA 3.38Å; E251-K265 HydrophobicContact CB-CG 4.45Å; E251-K265 HydrophobicContact CG-CG 4.2Å; E251-K265 WeakPolarHBondContact OE1-CE 3.31Å; V263-K265 HydrophobicContact CG1-CG 4.42Å; K265-F285 CarbonylContact O-C 3.56Å; K265-F285 WeakPolarHBondContact O-CA 3.19Å; K265-F285 WeakPolarHBondContact O-CB 3.3Å; K265-Q286 PolarHBondContact N-O 3.11Å; K265-Q286 PolarHBondContact O-N 3.25Å; K265-L288 HydrophobicContact CB-CD1 4.09Å; K265-L288 HydrophobicContact CD-CD1 3.95Å; K265-L288 HydrophobicContact CD-CD2 4.33Å; K265-L288 HydrophobicContact CG-CD1 3.81Å
266A92.8Very high81.8Confident1 Ų153.7 Ų53.71%0.00827%0.269CS..EExtended strand (participates in β ladder)trans-132.3146.9174.600000111.9F236 Y250 L283 S284 F285F236-A266 HydrophobicContact CD1-CB 4.01Å; F236-A266 HydrophobicContact CE1-CB 3.7Å; Y250-A266 PolarHBondContact N-O 3.26Å; Y250-A266 PolarHBondContact O-N 3.18Å; A266-L283 HydrophobicContact CB-CD1 4.2Å; A266-L283 HydrophobicContact CB-CD2 4.39Å; A266-L283 HydrophobicContact CB-CG 4.22Å; A266-S284 CarbonylContact C-O 3.58Å; A266-S284 WeakPolarHBondContact CA-O 3.19Å; A266-S284 VanDerWaalsContact CB-O 3.29Å; A266-S284 WeakPolarHBondContact CB-O 3.48Å; A266-F285 HydrophobicContact CB-CB 4.09Å
267R89.9Confident80.1Confident84 Ų8456 Ų5632%0.31728%0.277SS..EExtended strand (participates in β ladder)trans-122141.3-179.6-57-177.5174.1179.47108.7Y249 L283 S284 Y331Y249-R267 HydrophobicContact CD1-CB 4.35Å; Y249-R267 HydrophobicContact CD1-CG 3.8Å; Y249-R267 HydrophobicContact CE1-CB 4.35Å; Y249-R267 HydrophobicContact CE1-CG 3.76Å; R267-L283 WeakPolarHBondContact O-CA 3.35Å; R267-L283 WeakPolarHBondContact O-CD1 3.43Å; R267-S284 PolarHBondContact N-O 3.43Å; R267-S284 PolarHBondContact O-N 3.21Å; R267-Y331 HydrophobicContact CB-CE1 4.47Å; R267-Y331 HydrophobicContact CG-CD1 3.9Å; R267-Y331 HydrophobicContact CG-CE1 3.44Å; R267-Y331 VanDerWaalsContact CG-CE1 3.44Å; R267-Y331 VanDerWaalsContact NE-CE2 3.26Å; R267-Y331 PolarHBondContact NE-OH 3.07Å; R267-Y331 VanDerWaalsContact NH2-CZ 3.35Å; R267-Y331 PolarHBondContact NH2-OH 3.23Å
268V86.3Confident78.6Confident9 Ų957 Ų576%0.05529%0.285CS..EExtended strand (participates in β ladder)trans-93.2134.8172.8-1700000108.7L103 Y250 D270 S271 T282 L283 L346L103-V268 HydrophobicContact CD2-CB 4.49Å; L103-V268 HydrophobicContact CD2-CG1 4.04Å; Y250-V268 HydrophobicContact CD2-CG2 4.22Å; Y250-V268 HydrophobicContact CE2-CG2 3.87Å; V268-D270 PolarHBondContact O-N 3.14Å; V268-D270 VanDerWaalsContact O-N 3.14Å; V268-S271 PolarHBondContact O-N 3.12Å; V268-S271 VanDerWaalsContact O-N 3.14Å; V268-T282 WeakPolarHBondContact CA-O 2.96Å; V268-L283 HydrophobicContact CG2-CD1 3.88Å; V268-L346 HydrophobicContact CG1-CD1 4.16Å; V268-L346 HydrophobicContact CG1-CD2 4.31Å; V268-L346 HydrophobicContact CG2-CD2 3.77Å
269N80.1Confident77.2Confident10 Ų1059.8 Ų59.85%0.05331%0.307CS..G310 helixtrans49.837.9177.4-64.77.7000113.8S271 E272 P275 K280 R281 T282N269-S271 PolarHBondContact O-N 3.44Å; N269-E272 HydrophobicContact CB-CB 4.3Å; N269-E272 WeakPolarHBondContact O-CB 3.35Å; N269-E272 PolarHBondContact O-N 3.04Å; N269-P275 HydrophobicContact CB-CB 4.23Å; N269-K280 PolarHBondContact ND2-O 3.25Å; N269-R281 VanDerWaalsContact OD1-CA 3.25Å; N269-R281 WeakPolarHBondContact OD1-CA 3.19Å; N269-T282 PolarHBondContact N-O 2.84Å; N269-T282 PolarHBondContact OD1-N 3.35Å; N269-T282 PolarHBondContact OD1-O 3.02Å
270D68.7Low76.3Confident107 Ų10760.1 Ų60.157%0.57230%0.301SS*.G310 helixtrans48.533.7-179.1-60-36.2000114.4V268 E272 S284V268-D270 PolarHBondContact O-N 3.14Å; V268-D270 VanDerWaalsContact O-N 3.14Å; D270-E272 VanDerWaalsContact C-N 3.3Å; D270-E272 PolarHBondContact O-N 2.95Å; D270-S284 VanDerWaalsContact OD1-CB 3.26Å; D270-S284 WeakPolarHBondContact OD1-CB 3.48Å; D270-S284 PolarHBondContact OD1-OG 3.33Å
271S60.2Low75.7Confident22 Ų2258.7 Ų58.715%0.15429%0.294CS..G310 helixtrans61.932.8-178.4-56.80000114.5Y249 V268 N269Y249-S271 WeakPolarHBondContact CE1-OG 3.31Å; Y249-S271 PolarHBondContact OH-OG 3.44Å; V268-S271 PolarHBondContact O-N 3.12Å; V268-S271 VanDerWaalsContact O-N 3.14Å; N269-S271 PolarHBondContact O-N 3.44Å
272E63.9Low75.2Confident105 Ų10560.1 Ų60.149%0.49130%0.302SS..  trans-52.7144.5170.4-170172.2-155.400111.3N269 D270 N274 P275N269-E272 HydrophobicContact CB-CB 4.3Å; N269-E272 WeakPolarHBondContact O-CB 3.35Å; N269-E272 PolarHBondContact O-N 3.04Å; D270-E272 VanDerWaalsContact C-N 3.3Å; D270-E272 PolarHBondContact O-N 2.95Å; E272-N274 PolarHBondContact O-N 2.81Å; E272-P275 WeakPolarHBondContact O-CD 3.17Å
273R57Low74.9Confident183 Ų18360.3 Ų60.369%0.69130%0.304SS*.SBendtrans-63.8-29.1-172.8-163.5174.3-175.2-174.91.6112.9I245I245-R273 HydrophobicContact CD1-CG 4.17Å
274N58.2Low74.7Confident80 Ų8060.2 Ų60.243%0.42830%0.303SS..  trans-138.271.5-177.2-68.2-35.7000111.8E272 N276 L277E272-N274 PolarHBondContact O-N 2.81Å; N274-N276 PolarHBondContact O-N 2.87Å; N274-N276 VanDerWaalsContact O-N 3.08Å; N274-L277 HydrophobicContact CB-CD1 3.66Å; N274-L277 HydrophobicContact CB-CG 4.04Å; N274-L277 PolarHBondContact O-N 3.09Å
275P57.6Low74.6Confident27 Ų2760.3 Ų60.318%0.17530%0.304CS..G310 helixtrans-64.4-18.9-177.227.5-33.7000112.9N269 E272 L277N269-P275 HydrophobicContact CB-CB 4.23Å; E272-P275 WeakPolarHBondContact O-CD 3.17Å; P275-L277 VanDerWaalsContact C-N 3.29Å; P275-L277 PolarHBondContact O-N 2.94Å
276N57.9Low74.6Confident63 Ų6358.4 Ų58.434%0.33730%0.296SS..G310 helixtrans-73.6-15.4179.4-58.3-39.2000114.1L103 N274L103-N276 VanDerWaalsContact CB-OD1 3.22Å; L103-N276 WeakPolarHBondContact CB-OD1 3.24Å; N274-N276 PolarHBondContact O-N 2.87Å; N274-N276 VanDerWaalsContact O-N 3.08Å
277L58.4Low74.8Confident143 Ų14358.4 Ų58.475%0.74930%0.295SS*.G310 helixtrans-91.1-13.7-179.2-64.5176000112.7N274 P275N274-L277 HydrophobicContact CB-CD1 3.66Å; N274-L277 HydrophobicContact CB-CG 4.04Å; N274-L277 PolarHBondContact O-N 3.09Å; P275-L277 VanDerWaalsContact C-N 3.29Å; P275-L277 PolarHBondContact O-N 2.94Å
278S63.2Low75Confident36 Ų3654.4 Ų54.425%0.25228%0.28SS..  trans-103.4127.1178.6-178.40000110.5K280S278-K280 PolarHBondContact O-N 3.29Å; S278-K280 PolarHBondContact OG-N 3.35Å; S278-K280 VanDerWaalsContact OG-N 3.09Å; S278-K280 PolarHBondContact OG-O 2.83Å
279C62.5Low75.5Confident100 Ų10054.1 Ų54.168%0.67628%0.279SS*.SBendtrans-73.4-11.8168.4-55.70000112.2
280K72Confident76.2Confident161 Ų16158.2 Ų58.270%0.730%0.296SS*.  trans-86.2118174.1-67.8-176178.3-179.60108.8N269 S278N269-K280 PolarHBondContact ND2-O 3.25Å; S278-K280 PolarHBondContact O-N 3.29Å; S278-K280 PolarHBondContact OG-N 3.35Å; S278-K280 VanDerWaalsContact OG-N 3.09Å; S278-K280 PolarHBondContact OG-O 2.83Å
281R80.8Confident77.3Confident6 Ų654.6 Ų54.62%0.02328%0.279CS..  trans-115.8131.9176.2-55.3-162-169.7141.3-0.9110.8H96 D100 N269 S339 C342 N343 L346H96-R281 PolarHBondContact NE2-NH2 3.16Å; D100-R281 VanDerWaalsContact CG-NH2 3.3Å; D100-R281 IonicContact OD1-CZ 2.81Å; D100-R281 IonicContact OD1-NH2 2.75Å; D100-R281 PolarHBondContact OD1-NH2 2.92Å; D100-R281 IonicContact OD2-NH2 3.67Å; N269-R281 VanDerWaalsContact OD1-CA 3.25Å; N269-R281 WeakPolarHBondContact OD1-CA 3.19Å; R281-S339 PolarHBondContact N-OG 3.27Å; R281-C342 HydrophobicContact CB-CB 4.21Å; R281-N343 WeakPolarHBondContact CD-OD1 3.29Å; R281-N343 PolarHBondContact NH1-OD1 2.66Å; R281-L346 HydrophobicContact CB-CD1 4.33Å
282T85.9Confident78.8Confident69 Ų6962.6 Ų62.642%0.42331%0.311SS..  trans-130.4152.8176.859.70000109.4V268 N269V268-T282 WeakPolarHBondContact CA-O 2.96Å; N269-T282 PolarHBondContact N-O 2.84Å; N269-T282 PolarHBondContact OD1-N 3.35Å; N269-T282 PolarHBondContact OD1-O 3.02Å
283L89.4Confident80Confident6 Ų658 Ų583%0.03129%0.29CS..EExtended strand (participates in β ladder)trans-122.8128.4173.6-167.175.9000107.3Y250 A266 R267 V268 L334 I336 L345 I351Y250-L283 HydrophobicContact CD2-CD1 4.48Å; A266-L283 HydrophobicContact CB-CD1 4.2Å; A266-L283 HydrophobicContact CB-CD2 4.39Å; A266-L283 HydrophobicContact CB-CG 4.22Å; R267-L283 WeakPolarHBondContact O-CA 3.35Å; R267-L283 WeakPolarHBondContact O-CD1 3.43Å; V268-L283 HydrophobicContact CG2-CD1 3.88Å; L283-L334 HydrophobicContact CB-CB 4.34Å; L283-L334 HydrophobicContact CD2-CD2 3.78Å; L283-L334 VanDerWaalsContact O-CB 3.29Å; L283-L334 WeakPolarHBondContact O-CB 3.29Å; L283-L334 PolarHBondContact O-N 2.84Å; L283-I336 HydrophobicContact CB-CD1 3.97Å; L283-L345 HydrophobicContact CD2-CD1 4.5Å; L283-I351 HydrophobicContact CD2-CD1 4.38Å
284S92.2Very high81.5Confident2 Ų256.9 Ų56.91%0.01430%0.303CS..EExtended strand (participates in β ladder)trans-113.6151.617150.10000109.6A266 R267 D270 V332A266-S284 CarbonylContact C-O 3.58Å; A266-S284 WeakPolarHBondContact CA-O 3.19Å; A266-S284 VanDerWaalsContact CB-O 3.29Å; A266-S284 WeakPolarHBondContact CB-O 3.48Å; R267-S284 PolarHBondContact N-O 3.43Å; R267-S284 PolarHBondContact O-N 3.21Å; D270-S284 VanDerWaalsContact OD1-CB 3.26Å; D270-S284 WeakPolarHBondContact OD1-CB 3.48Å; D270-S284 PolarHBondContact OD1-OG 3.33Å; S284-V332 CarbonylContact C-O 3.45Å; S284-V332 VanDerWaalsContact CA-O 3.23Å; S284-V332 WeakPolarHBondContact CA-O 3.43Å; S284-V332 WeakPolarHBondContact CB-O 3.31Å
285F94.5Very high83Confident2 Ų255.7 Ų55.71%0.00931%0.305CS..EExtended strand (participates in β ladder)trans-138.1158.9-178.177.5-82.5000112.2L264 K265 A266 F301 L303 Y318 Y331 V332 L334L264-F285 HydrophobicContact CD2-CD2 3.78Å; L264-F285 HydrophobicContact CD2-CE2 4.23Å; K265-F285 CarbonylContact O-C 3.56Å; K265-F285 WeakPolarHBondContact O-CA 3.19Å; K265-F285 WeakPolarHBondContact O-CB 3.3Å; A266-F285 HydrophobicContact CB-CB 4.09Å; F285-F301 HydrophobicContact CE2-CD2 4.26Å; F285-F301 AromaticContact CE2-CE2 3.7Å; F285-F301 HydrophobicContact CE2-CE2 3.7Å; F285-F301 HydrophobicContact CZ-CE2 4.03Å; F285-L303 HydrophobicContact CD1-CD2 4.31Å; F285-L303 HydrophobicContact CD2-CD2 4.17Å; F285-L303 HydrophobicContact CE1-CB 4.48Å; F285-L303 HydrophobicContact CE1-CD2 4.41Å; F285-L303 HydrophobicContact CE2-CB 4.41Å; F285-L303 HydrophobicContact CE2-CD2 4.24Å; F285-L303 HydrophobicContact CG-CD2 4.19Å; F285-L303 HydrophobicContact CZ-CB 4.08Å; F285-L303 HydrophobicContact CZ-CD2 4.37Å; F285-Y318 AromaticContact CE1-CE2 3.88Å; F285-Y318 HydrophobicContact CE1-CE2 3.88Å; F285-Y318 AromaticContact CZ-CD2 3.87Å; F285-Y318 HydrophobicContact CZ-CD2 3.87Å; F285-Y318 AromaticContact CZ-CE2 3.67Å; F285-Y318 HydrophobicContact CZ-CE2 3.67Å; F285-Y331 WeakPolarHBondContact O-CA 3.43Å; F285-V332 HydrophobicContact CD1-CG2 4.13Å; F285-V332 HydrophobicContact CE1-CG2 3.74Å; F285-V332 HydrophobicContact CE2-CG2 4.25Å; F285-V332 HydrophobicContact CZ-CG2 3.81Å; F285-V332 PolarHBondContact N-O 2.94Å; F285-V332 WeakPolarHBondContact O-CG2 3.44Å; F285-V332 PolarHBondContact O-N 3.21Å; F285-L334 HydrophobicContact CD1-CB 4.17Å; F285-L334 HydrophobicContact CD1-CD1 4.08Å; F285-L334 HydrophobicContact CE1-CD1 3.99Å
286Q95.1Very high84.6Confident11 Ų1158.9 Ų58.95%0.05133%0.326CS..EExtended strand (participates in β ladder)trans-136.2137.5-179.5177.9-17639.300108.2L264 K265 L288 T329 Y331L264-Q286 WeakPolarHBondContact CA-O 3.32Å; K265-Q286 PolarHBondContact N-O 3.11Å; K265-Q286 PolarHBondContact O-N 3.25Å; Q286-L288 HydrophobicContact CB-CD1 4.38Å; Q286-L288 HydrophobicContact CG-CD1 3.95Å; Q286-L288 HydrophobicContact CG-CG 4.31Å; Q286-T329 WeakPolarHBondContact CG-O 3.29Å; Q286-T329 PolarHBondContact NE2-O 2.97Å; Q286-Y331 HydrophobicContact CB-CD1 3.85Å; Q286-Y331 HydrophobicContact CB-CD2 4.23Å; Q286-Y331 HydrophobicContact CB-CE1 3.6Å; Q286-Y331 HydrophobicContact CB-CE2 4.01Å; Q286-Y331 HydrophobicContact CB-CG 4.17Å; Q286-Y331 HydrophobicContact CG-CE2 4.38Å; Q286-Y331 VanDerWaalsContact OE1-CZ 3.23Å; Q286-Y331 PolarHBondContact OE1-OH 3.21Å
287L96.2Very high86.2Confident0 Ų056.6 Ų56.60%031%0.313CS..EExtended strand (participates in β ladder)trans-101.2129173.5-179.263.8000109.6F255 W262 L264 F301 F322 T329 L355 L357F255-L287 HydrophobicContact CZ-CD1 4.47Å; W262-L287 HydrophobicContact CB-CD1 4.27Å; W262-L287 HydrophobicContact CE3-CD1 4.02Å; W262-L287 HydrophobicContact CE3-CD2 4.18Å; W262-L287 HydrophobicContact CE3-CG 3.99Å; W262-L287 HydrophobicContact CZ3-CD2 4.26Å; W262-L287 HydrophobicContact CZ3-CG 4.37Å; L264-L287 HydrophobicContact CD2-CB 3.89Å; L264-L287 HydrophobicContact CD2-CD1 3.65Å; L264-L287 HydrophobicContact CD2-CG 4.36Å; L264-L287 HydrophobicContact CG-CD1 3.84Å; L287-F301 HydrophobicContact CB-CE2 4.44Å; L287-F301 HydrophobicContact CB-CZ 4.37Å; L287-F301 HydrophobicContact CD2-CB 4.45Å; L287-F301 HydrophobicContact CD2-CD1 3.91Å; L287-F301 HydrophobicContact CD2-CD2 4.24Å; L287-F301 HydrophobicContact CD2-CE1 4.19Å; L287-F301 HydrophobicContact CD2-CG 3.94Å; L287-F301 HydrophobicContact CD2-CZ 4.47Å; L287-F322 HydrophobicContact CB-CZ 4.46Å; L287-F322 HydrophobicContact CD2-CE2 4.39Å; L287-F322 HydrophobicContact CD2-CZ 3.91Å; L287-F322 HydrophobicContact CG-CZ 4.08Å; L287-T329 HydrophobicContact CB-CG2 4.13Å; L287-T329 PolarHBondContact N-OG1 3.33Å; L287-T329 VanDerWaalsContact N-OG1 3.08Å; L287-T329 PolarHBondContact O-N 3.39Å; L287-T329 VanDerWaalsContact O-N 3.08Å; L287-L355 HydrophobicContact CD1-CD2 4.41Å; L287-L357 HydrophobicContact CD2-CD1 4.03Å
288L95.8Very high87.9Confident1 Ų152 Ų521%0.00529%0.288CS..EExtended strand (participates in β ladder)trans-120.1130.6-178.5-59.989.9000110.3W262 V263 K265 Q286 N327 E328W262-L288 CarbonylContact C-O 3.6Å; W262-L288 VanDerWaalsContact CA-O 3.26Å; W262-L288 WeakPolarHBondContact CA-O 3.35Å; V263-L288 HydrophobicContact CB-CB 4.43Å; V263-L288 PolarHBondContact N-O 3.1Å; V263-L288 WeakPolarHBondContact O-CB 3.32Å; V263-L288 WeakPolarHBondContact O-CD1 3.49Å; V263-L288 PolarHBondContact O-N 3.44Å; K265-L288 HydrophobicContact CB-CD1 4.09Å; K265-L288 HydrophobicContact CD-CD1 3.95Å; K265-L288 HydrophobicContact CD-CD2 4.33Å; K265-L288 HydrophobicContact CG-CD1 3.81Å; Q286-L288 HydrophobicContact CB-CD1 4.38Å; Q286-L288 HydrophobicContact CG-CD1 3.95Å; Q286-L288 HydrophobicContact CG-CG 4.31Å; L288-N327 CarbonylContact C-O 3.52Å; L288-N327 WeakPolarHBondContact CA-O 3.13Å; L288-E328 HydrophobicContact CD2-CB 4.15Å; L288-E328 HydrophobicContact CG-CB 3.9Å
289L95.8Very high89.3Confident3 Ų350.4 Ų50.42%0.01628%0.277CS..EExtended strand (participates in β ladder)trans-89.7123.5169.7-179.361.6000109.6Q260 W262 S291 V293 L297 F322 N327Q260-L289 HydrophobicContact CB-CD1 3.81Å; Q260-L289 HydrophobicContact CG-CD1 4.34Å; W262-L289 HydrophobicContact CD2-CD1 4.08Å; W262-L289 HydrophobicContact CE3-CB 4Å; W262-L289 HydrophobicContact CE3-CD1 3.92Å; W262-L289 HydrophobicContact CH2-CB 4.44Å; W262-L289 HydrophobicContact CH2-CD1 3.78Å; W262-L289 HydrophobicContact CH2-CD2 4.49Å; W262-L289 HydrophobicContact CH2-CG 4.47Å; W262-L289 HydrophobicContact CZ2-CD1 3.92Å; W262-L289 HydrophobicContact CZ3-CB 3.75Å; W262-L289 HydrophobicContact CZ3-CD1 3.78Å; W262-L289 HydrophobicContact CZ3-CG 4.23Å; L289-S291 WeakPolarHBondContact CD1-OG 3.46Å; L289-V293 HydrophobicContact CD2-CG1 3.61Å; L289-L297 HydrophobicContact CD2-CD1 4.25Å; L289-F322 HydrophobicContact CB-CD1 3.79Å; L289-F322 HydrophobicContact CB-CE1 4.32Å; L289-F322 HydrophobicContact CB-CG 4.35Å; L289-F322 HydrophobicContact CD2-CB 3.62Å; L289-F322 HydrophobicContact CD2-CD1 4.34Å; L289-F322 HydrophobicContact CD2-CG 4.15Å; L289-N327 HydrophobicContact CB-CB 4.38Å; L289-N327 PolarHBondContact N-O 3.22Å
290K94.7Very high90.8Very high95 Ų9546 Ų4641%0.41325%0.247SC..  trans-104.7-22.4-179-66.1-56.5-175.2-168.80113.8T261 V263T261-K290 HydrophobicContact CG2-CB 4.25Å; T261-K290 PolarHBondContact O-N 3.37Å; V263-K290 HydrophobicContact CB-CG 4.42Å; V263-K290 HydrophobicContact CG2-CG 3.76Å
291S92.4Very high91.8Very high31 Ų3138.4 Ų38.422%0.21721%0.214CC..SBendtrans-78.9152.8172.841.90000111.2Q260 T261 L289Q260-S291 WeakPolarHBondContact CA-OG 3.15Å; Q260-S291 PolarHBondContact OE1-OG 3.35Å; T261-S291 PolarHBondContact N-OG 3.32Å; T261-S291 PolarHBondContact O-N 3.28Å; L289-S291 WeakPolarHBondContact CD1-OG 3.46Å
292K91Very high92.4Very high191 Ų19138.5 Ų38.583%0.8322%0.215SC*.  trans-77.7142.5170.6-67.9-172177.6-174.80109.8
293V90.3Very high92.7Very high9 Ų935.4 Ų35.46%0.05520%0.196CC..  trans-110.7143.5178.3-68.20000111.3L289 A295 L297 N324L289-V293 HydrophobicContact CD2-CG1 3.61Å; V293-A295 WeakPolarHBondContact CB-O 3.38Å; V293-L297 HydrophobicContact CB-CD1 4.46Å; V293-L297 HydrophobicContact CB-CG 4.45Å; V293-L297 HydrophobicContact CG1-CD1 3.38Å; V293-L297 HydrophobicContact CG1-CG 3.84Å; V293-N324 WeakPolarHBondContact CG2-OD1 3.44Å; V293-N324 PolarHBondContact N-OD1 3Å; V293-N324 PolarHBondContact O-ND2 3.38Å; V293-N324 PolarHBondContact O-OD1 2.98Å
294T87.8Confident92.7Very high158 Ų15837.3 Ų37.397%0.96921%0.206SC*.SBendtrans-83-24.9176.149.60000112.4
295A89.6Confident92.6Very high56 Ų5641.9 Ų41.946%0.46323%0.225SC..SBendtrans-145.5159.3177.100000109.9V293 L297V293-A295 WeakPolarHBondContact CB-O 3.38Å; A295-L297 PolarHBondContact O-N 3.08Å
296P90.8Very high91.9Very high93 Ų9341.9 Ų41.960%0.60423%0.226SC*.  trans-54.8130.7175.5-2534.6000112V321 F322 T323P296-V321 HydrophobicContact CB-CG1 3.92Å; P296-F322 CarbonylContact C-O 3.45Å; P296-F322 WeakPolarHBondContact CA-O 3.39Å; P296-T323 HydrophobicContact CB-CG2 4.03Å; P296-T323 HydrophobicContact CG-CG2 4.21Å
297L91.6Very high90.5Very high15 Ų1542.9 Ų42.98%0.07923%0.233CC..EExtended strand (participates in β ladder)trans-101.3103.6177.7-70.6179.5000110Q260 L289 V293 A295 C299 V321 F322Q260-L297 HydrophobicContact CG-CD1 3.7Å; L289-L297 HydrophobicContact CD2-CD1 4.25Å; V293-L297 HydrophobicContact CB-CD1 4.46Å; V293-L297 HydrophobicContact CB-CG 4.45Å; V293-L297 HydrophobicContact CG1-CD1 3.38Å; V293-L297 HydrophobicContact CG1-CG 3.84Å; A295-L297 PolarHBondContact O-N 3.08Å; L297-C299 PolarHBondContact O-N 3.41Å; L297-V321 CarbonylContact O-C 3.57Å; L297-V321 WeakPolarHBondContact O-CA 3.25Å; L297-F322 HydrophobicContact CB-CB 4.27Å; L297-F322 PolarHBondContact N-O 3.5Å; L297-F322 PolarHBondContact O-N 2.85Å
298E93.9Very high89Confident48 Ų4854 Ų5422%0.22428%0.277CS..EExtended strand (participates in β ladder)trans-80.3113.1172.1-171171170.700109.4H319 V321 I360 K362E298-H319 WeakPolarHBondContact CG-CE1 3.49Å; E298-H319 IonicContact OE1-CE1 3.21Å; E298-H319 PolarHBondContact OE1-CE1 3.46Å; E298-H319 IonicContact OE1-NE2 3Å; E298-V321 HydrophobicContact CB-CG2 4.31Å; E298-V321 HydrophobicContact CG-CG2 4.05Å; E298-I360 HydrophobicContact CB-CB 4.24Å; E298-I360 HydrophobicContact CG-CB 3.99Å; E298-I360 HydrophobicContact CG-CD1 3.94Å; E298-I360 HydrophobicContact CG-CG2 4.4Å; E298-I360 PolarHBondContact O-N 3.32Å; E298-K362 WeakPolarHBondContact OE2-CE 3.46Å
299C93Very high87.7Confident1 Ų155.8 Ų55.81%0.00729%0.287CS..EExtended strand (participates in β ladder)trans-126.4135.4-173.7-70.30000111.1L297 H319 F320 F322 F358L297-C299 PolarHBondContact O-N 3.41Å; C299-H319 WeakPolarHBondContact O-CA 3.21Å; C299-F320 PolarHBondContact N-O 2.89Å; C299-F320 PolarHBondContact O-N 3.38Å; C299-F320 VanDerWaalsContact O-O 3.14Å; C299-F322 HydrophobicContact CB-CD2 4.15Å; C299-F322 HydrophobicContact CB-CE2 3.99Å; C299-F358 CarbonylContact C-O 3.51Å; C299-F358 VanDerWaalsContact CA-O 3.25Å; C299-F358 WeakPolarHBondContact CA-O 3.39Å
300S94Very high86.5Confident7 Ų761.9 Ų61.95%0.04932%0.319CS..EExtended strand (participates in β ladder)trans-103.6140.8160.7-55.90000109.5Y318 H319 F358 I360S300-Y318 CarbonylContact C-O 3.31Å; S300-Y318 WeakPolarHBondContact CA-O 3.48Å; S300-H319 PolarHBondContact OG-ND1 3.38Å; S300-F358 PolarHBondContact N-O 3.35Å; S300-F358 WeakPolarHBondContact O-CB 3.27Å; S300-F358 WeakPolarHBondContact O-CD2 3.24Å; S300-F358 PolarHBondContact O-N 2.93Å; S300-I360 WeakPolarHBondContact OG-CD1 3.33Å
301F93.5Very high85.9Confident3 Ų357.3 Ų57.31%0.01330%0.299CS..EExtended strand (participates in β ladder)trans-144.4154-179.663.3-87.2000112.2F285 L287 Y318 F320 T329 L355 F356 L357F285-F301 HydrophobicContact CE2-CD2 4.26Å; F285-F301 AromaticContact CE2-CE2 3.7Å; F285-F301 HydrophobicContact CE2-CE2 3.7Å; F285-F301 HydrophobicContact CZ-CE2 4.03Å; L287-F301 HydrophobicContact CB-CE2 4.44Å; L287-F301 HydrophobicContact CB-CZ 4.37Å; L287-F301 HydrophobicContact CD2-CB 4.45Å; L287-F301 HydrophobicContact CD2-CD1 3.91Å; L287-F301 HydrophobicContact CD2-CD2 4.24Å; L287-F301 HydrophobicContact CD2-CE1 4.19Å; L287-F301 HydrophobicContact CD2-CG 3.94Å; L287-F301 HydrophobicContact CD2-CZ 4.47Å; F301-Y318 HydrophobicContact CD2-CD2 4.3Å; F301-Y318 AromaticContact CE2-CD2 3.86Å; F301-Y318 HydrophobicContact CE2-CD2 3.86Å; F301-Y318 AromaticContact CE2-CG 3.96Å; F301-Y318 HydrophobicContact CE2-CG 3.96Å; F301-Y318 HydrophobicContact CZ-CD2 4.47Å; F301-Y318 HydrophobicContact CZ-CG 4.12Å; F301-Y318 PolarHBondContact N-O 3.46Å; F301-Y318 PolarHBondContact O-N 2.83Å; F301-F320 HydrophobicContact CE1-CB 4.23Å; F301-T329 HydrophobicContact CE1-CG2 4.07Å; F301-T329 HydrophobicContact CZ-CG2 3.99Å; F301-L355 HydrophobicContact CB-CD1 4.39Å; F301-F356 WeakPolarHBondContact CA-O 3.45Å; F301-F356 WeakPolarHBondContact CB-O 3.29Å; F301-L357 HydrophobicContact CB-CD1 3.91Å; F301-L357 HydrophobicContact CB-CG 4.17Å
302L92.6Very high85.5Confident7 Ų762.5 Ų62.54%0.03731%0.314CS..EExtended strand (participates in β ladder)trans-141.7149.8171.760.3148.1000110.6L304 V316 F356 F358L302-L304 HydrophobicContact CD1-CD1 3.74Å; L302-L304 HydrophobicContact CD1-CD2 3.84Å; L302-L304 HydrophobicContact CD1-CG 3.72Å; L302-V316 VanDerWaalsContact CB-O 3.28Å; L302-V316 WeakPolarHBondContact CB-O 3.27Å; L302-F356 HydrophobicContact CD2-CB 3.86Å; L302-F356 HydrophobicContact CG-CB 4.02Å; L302-F356 HydrophobicContact CG-CD2 4.49Å; L302-F356 PolarHBondContact N-O 3.35Å; L302-F356 PolarHBondContact O-N 3.39Å; L302-F358 HydrophobicContact CD2-CD2 4.22Å; L302-F358 HydrophobicContact CD2-CE2 3.45Å; L302-F358 VanDerWaalsContact CD2-CE2 3.45Å; L302-F358 HydrophobicContact CD2-CZ 4.32Å
303L92.5Very high85.3Confident5 Ų554.5 Ų54.53%0.02628%0.28CS..EExtended strand (participates in β ladder)trans-115.7119.8178.2-160.864.6000109V234 F236 L264 F285 L334 L353 R354 L355V234-L303 HydrophobicContact CG2-CD1 3.95Å; F236-L303 HydrophobicContact CE2-CD2 4.23Å; F236-L303 HydrophobicContact CZ-CD2 4.27Å; L264-L303 HydrophobicContact CD1-CD1 4.23Å; F285-L303 HydrophobicContact CD1-CD2 4.31Å; F285-L303 HydrophobicContact CD2-CD2 4.17Å; F285-L303 HydrophobicContact CE1-CB 4.48Å; F285-L303 HydrophobicContact CE1-CD2 4.41Å; F285-L303 HydrophobicContact CE2-CB 4.41Å; F285-L303 HydrophobicContact CE2-CD2 4.24Å; F285-L303 HydrophobicContact CG-CD2 4.19Å; F285-L303 HydrophobicContact CZ-CB 4.08Å; F285-L303 HydrophobicContact CZ-CD2 4.37Å; L303-L334 HydrophobicContact CB-CD1 4.1Å; L303-L334 HydrophobicContact CD2-CD1 3.83Å; L303-L334 HydrophobicContact CG-CD1 4.23Å; L303-L353 HydrophobicContact CD1-CB 3.78Å; L303-L353 HydrophobicContact CD1-CD1 4.44Å; L303-L353 HydrophobicContact CD2-CB 4.32Å; L303-L353 HydrophobicContact CD2-CD1 3.43Å; L303-L353 VanDerWaalsContact CD2-CD1 3.43Å; L303-L353 HydrophobicContact CD2-CG 4.48Å; L303-L353 HydrophobicContact CG-CB 3.89Å; L303-L353 HydrophobicContact CG-CD1 3.81Å; L303-L353 HydrophobicContact CG-CG 4.41Å; L303-R354 WeakPolarHBondContact CA-O 3.49Å; L303-L355 HydrophobicContact CD1-CB 4.05Å; L303-L355 HydrophobicContact CD1-CD1 4.16Å
304L90.5Very high85.1Confident46 Ų4656.6 Ų56.624%0.24130%0.295CS..EExtended strand (participates in β ladder)trans-116167.9-177.2-62.5-178.2000111L302 P315 L353 R354 F356L302-L304 HydrophobicContact CD1-CD1 3.74Å; L302-L304 HydrophobicContact CD1-CD2 3.84Å; L302-L304 HydrophobicContact CD1-CG 3.72Å; L304-P315 HydrophobicContact CD2-CB 3.97Å; L304-L353 CarbonylContact O-C 3.52Å; L304-L353 WeakPolarHBondContact O-CA 3.41Å; L304-L353 WeakPolarHBondContact O-CB 3.38Å; L304-L353 WeakPolarHBondContact O-CD2 3.49Å; L304-R354 HydrophobicContact CB-CB 4.27Å; L304-R354 PolarHBondContact N-O 2.65Å; L304-R354 PolarHBondContact O-N 3.43Å; L304-F356 HydrophobicContact CD1-CD2 4.11Å; L304-F356 HydrophobicContact CD1-CE2 3.84Å
305K88.4Confident85Confident98 Ų9851.2 Ų51.243%0.42626%0.263SS..EExtended strand (participates in β ladder)trans-59.1144.1175.370.9173.5-162.4150.40112.1D309 V311 I313 R354K305-D309 PolarHBondContact NZ-O 3.44Å; K305-V311 VanDerWaalsContact CD-O 3.29Å; K305-V311 WeakPolarHBondContact CD-O 3.12Å; K305-I313 HydrophobicContact CB-CD1 4.33Å; K305-R354 WeakPolarHBondContact O-CD 3.23Å
306G81.1Confident85Confident2 Ų251.1 Ų51.12%0.02126%0.257CS..PPolyproline II helixtrans-70.3168.9174.700000113.5N352G306-N352 WeakPolarHBondContact CA-O 3.43Å; G306-N352 PolarHBondContact N-O 2.94Å
307P65.5Low85Confident32 Ų3249 Ų4921%0.20824%0.239CC..THydrogen-bonded Turntrans-63.5140.7168.329.1-32.5000109.4E233 D309E233-P307 VanDerWaalsContact OE1-CD 3.26Å; E233-P307 WeakPolarHBondContact OE1-CD 3.33Å; E233-P307 VanDerWaalsContact OE1-CG 3.31Å; E233-P307 WeakPolarHBondContact OE1-CG 3.2Å; E233-P307 WeakPolarHBondContact OE2-CG 3.36Å; P307-D309 PolarHBondContact O-N 3.47Å
308Y64.4Low85.1Confident234 Ų23450 Ų5092%0.91824%0.243SC*.THydrogen-bonded Turntrans67.38.1178-41.2-74.6000116.3
309D67.8Low85Confident38 Ų3852.5 Ų52.520%0.20325%0.254CS..  trans-95.3132.9172.5-147.6-11.4000111K305 P307 V311 L345K305-D309 PolarHBondContact NZ-O 3.44Å; P307-D309 PolarHBondContact O-N 3.47Å; D309-V311 VanDerWaalsContact OD1-CG2 3.3Å; D309-V311 WeakPolarHBondContact OD1-CG2 3.37Å; D309-L345 WeakPolarHBondContact OD2-CD2 3.45Å
310D71Confident85.1Confident130 Ų13054.5 Ų54.570%0.69526%0.262SS*.  trans-908.1178.2-85.9-20.3000112.3K344D310-K344 PolarHBondContact O-NZ 3.48Å
311V83.3Confident85.2Confident0 Ų057 Ų570%028%0.278CS..  trans-73.1132.3176.4-177.90000110.6K305 D309 I313 E341 K344 L345K305-V311 VanDerWaalsContact CD-O 3.29Å; K305-V311 WeakPolarHBondContact CD-O 3.12Å; D309-V311 VanDerWaalsContact OD1-CG2 3.3Å; D309-V311 WeakPolarHBondContact OD1-CG2 3.37Å; V311-I313 HydrophobicContact CG1-CD1 4.39Å; V311-I313 HydrophobicContact CG1-CG1 3.96Å; V311-E341 WeakPolarHBondContact CA-OE2 3.43Å; V311-E341 HydrophobicContact CG1-CB 4.14Å; V311-K344 HydrophobicContact CG2-CB 3.63Å; V311-K344 HydrophobicContact CG2-CD 4.17Å; V311-L345 HydrophobicContact CB-CD2 3.93Å; V311-L345 HydrophobicContact CB-CG 4.32Å; V311-L345 HydrophobicContact CG1-CD1 4.13Å; V311-L345 HydrophobicContact CG1-CD2 3.97Å; V311-L345 HydrophobicContact CG1-CG 3.89Å; V311-L345 HydrophobicContact CG2-CD2 3.47Å; V311-L345 VanDerWaalsContact CG2-CD2 3.47Å; V311-L345 HydrophobicContact CG2-CG 3.8Å
312R82.3Confident85.2Confident140 Ų14056.9 Ų56.953%0.52828%0.277SS..  trans-93.8116.2174.7-62.9-176.4-70.9173.62.7110.8I337 E341R312-I337 HydrophobicContact CB-CD1 3.47Å; R312-I337 VanDerWaalsContact CB-CD1 3.47Å; R312-I337 HydrophobicContact CB-CG1 4.2Å; R312-I337 HydrophobicContact CG-CD1 4.47Å; R312-E341 HydrophobicContact CB-CG 4.44Å; R312-E341 IonicContact CZ-OE1 3.48Å; R312-E341 PolarHBondContact N-OE2 2.95Å; R312-E341 IonicContact NE-OE1 3.58Å; R312-E341 PolarHBondContact NE-OE1 2.95Å; R312-E341 IonicContact NH2-OE1 3.63Å; R312-E341 PolarHBondContact NH2-OE1 2.95Å
313I86.7Confident85.2Confident22 Ų2258.1 Ų58.111%0.11329%0.285CS..BIsolated β-bridgetrans-122.3128.3178.1-57.7174.7000107.5K305 V311 L334 P335 L353K305-I313 HydrophobicContact CB-CD1 4.33Å; V311-I313 HydrophobicContact CG1-CD1 4.39Å; V311-I313 HydrophobicContact CG1-CG1 3.96Å; I313-L334 HydrophobicContact CD1-CD2 4.13Å; I313-L334 HydrophobicContact CG2-CD1 4.25Å; I313-L334 HydrophobicContact CG2-CG 4.39Å; I313-P335 HydrophobicContact CG2-CG 4.12Å; I313-L353 HydrophobicContact CD1-CD2 3.51Å
314S86.2Confident85.1Confident54 Ų5462 Ų6238%0.37831%0.305SS..  trans-78.8134.8177.2-58.50000110.2V316 P335S314-V316 PolarHBondContact O-N 3.27Å; S314-P335 PolarHBondContact N-O 2.74Å; S314-P335 WeakPolarHBondContact O-CG 3.49Å
315P86.7Confident85Confident45 Ų4567.5 Ų67.529%0.29233%0.33SS..  trans-66.2126.6177.620.5-25.3000110.8L216 I220 L304L216-P315 HydrophobicContact CD2-CB 4.46Å; L216-P315 HydrophobicContact CD2-CG 3.94Å; L216-P315 WeakPolarHBondContact CD2-O 3.43Å; I220-P315 HydrophobicContact CD1-CB 4.27Å; L304-P315 HydrophobicContact CD2-CB 3.97Å
316V89.6Confident85.2Confident54 Ų5465 Ų6533%0.32733%0.325SS..  trans-131.8130.6170.9175.90000108.2L302 S314 Y318 P335L302-V316 VanDerWaalsContact CB-O 3.28Å; L302-V316 WeakPolarHBondContact CB-O 3.27Å; S314-V316 PolarHBondContact O-N 3.27Å; V316-Y318 HydrophobicContact CB-CE2 4.16Å; V316-Y318 HydrophobicContact CG1-CD1 4.47Å; V316-Y318 HydrophobicContact CG1-CD2 4.5Å; V316-Y318 HydrophobicContact CG1-CE1 3.88Å; V316-Y318 HydrophobicContact CG1-CE2 3.95Å; V316-P335 HydrophobicContact CB-CG 4.1Å; V316-P335 HydrophobicContact CG2-CB 3.8Å; V316-P335 HydrophobicContact CG2-CG 3.67Å
317I90.9Very high85.7Confident47 Ų4768 Ų6824%0.24134%0.34CS..  trans-90.6123.3177.4-59.1165.4000108L216 I220 L223L216-I317 HydrophobicContact CD1-CD1 4.29Å; L216-I317 HydrophobicContact CD1-CG1 4.48Å; I220-I317 HydrophobicContact CG1-CD1 3.84Å; I220-I317 HydrophobicContact CG1-CG1 4.3Å; L223-I317 HydrophobicContact CD1-CD1 3.72Å; L223-I317 HydrophobicContact CD1-CG1 4.04Å; L223-I317 HydrophobicContact CD1-CG2 3.76Å
318Y92.5Very high87.1Confident38 Ų3871 Ų7115%0.14935%0.352CS..EExtended strand (participates in β ladder)trans-104.3145.3170.9-63.1-72.8000109.8F285 S300 F301 V316 V332 P333F285-Y318 AromaticContact CE1-CE2 3.88Å; F285-Y318 HydrophobicContact CE1-CE2 3.88Å; F285-Y318 AromaticContact CZ-CD2 3.87Å; F285-Y318 HydrophobicContact CZ-CD2 3.87Å; F285-Y318 AromaticContact CZ-CE2 3.67Å; F285-Y318 HydrophobicContact CZ-CE2 3.67Å; S300-Y318 CarbonylContact C-O 3.31Å; S300-Y318 WeakPolarHBondContact CA-O 3.48Å; F301-Y318 HydrophobicContact CD2-CD2 4.3Å; F301-Y318 AromaticContact CE2-CD2 3.86Å; F301-Y318 HydrophobicContact CE2-CD2 3.86Å; F301-Y318 AromaticContact CE2-CG 3.96Å; F301-Y318 HydrophobicContact CE2-CG 3.96Å; F301-Y318 HydrophobicContact CZ-CD2 4.47Å; F301-Y318 HydrophobicContact CZ-CG 4.12Å; F301-Y318 PolarHBondContact N-O 3.46Å; F301-Y318 PolarHBondContact O-N 2.83Å; V316-Y318 HydrophobicContact CB-CE2 4.16Å; V316-Y318 HydrophobicContact CG1-CD1 4.47Å; V316-Y318 HydrophobicContact CG1-CD2 4.5Å; V316-Y318 HydrophobicContact CG1-CE1 3.88Å; V316-Y318 HydrophobicContact CG1-CE2 3.95Å; Y318-V332 HydrophobicContact CD1-CB 4.16Å; Y318-V332 HydrophobicContact CD1-CG1 4.05Å; Y318-V332 HydrophobicContact CD1-CG2 4.05Å; Y318-V332 HydrophobicContact CD2-CG2 4.27Å; Y318-V332 HydrophobicContact CE1-CB 3.65Å; Y318-V332 HydrophobicContact CE1-CG1 3.92Å; Y318-V332 HydrophobicContact CE1-CG2 3.8Å; Y318-V332 HydrophobicContact CE2-CG2 4Å; Y318-V332 HydrophobicContact CG-CG2 4.28Å; Y318-P333 PolarHBondContact OH-O 3.47Å
319H93.3Very high88.5Confident100 Ų10060.1 Ų60.146%0.46331%0.31SS..EExtended strand (participates in β ladder)trans-125.3133.7179.7-179.986.8000109.7E298 C299 S300 I360E298-H319 WeakPolarHBondContact CG-CE1 3.49Å; E298-H319 IonicContact OE1-CE1 3.21Å; E298-H319 PolarHBondContact OE1-CE1 3.46Å; E298-H319 IonicContact OE1-NE2 3Å; C299-H319 WeakPolarHBondContact O-CA 3.21Å; S300-H319 PolarHBondContact OG-ND1 3.38Å; H319-I360 VanDerWaalsContact CE1-CD1 3.47Å; H319-I360 WeakPolarHBondContact CE1-CD1 3.31Å
320F95Very high89.7Confident42 Ų4264.7 Ų64.718%0.18433%0.334CS..EExtended strand (participates in β ladder)trans-153.8146.8179.4-166.4-101.2000112C299 F301 F322 S326 E328 T329C299-F320 PolarHBondContact N-O 2.89Å; C299-F320 PolarHBondContact O-N 3.38Å; C299-F320 VanDerWaalsContact O-O 3.14Å; F301-F320 HydrophobicContact CE1-CB 4.23Å; F320-F322 HydrophobicContact CB-CE2 4.14Å; F320-F322 HydrophobicContact CB-CZ 4.36Å; F320-F322 AromaticContact CD1-CD1 3.67Å; F320-F322 HydrophobicContact CD1-CD1 3.67Å; F320-F322 AromaticContact CD1-CD2 3.79Å; F320-F322 HydrophobicContact CD1-CD2 3.79Å; F320-F322 AromaticContact CD1-CE1 3.59Å; F320-F322 HydrophobicContact CD1-CE1 3.59Å; F320-F322 AromaticContact CD1-CE2 3.7Å; F320-F322 HydrophobicContact CD1-CE2 3.7Å; F320-F322 AromaticContact CD1-CG 3.77Å; F320-F322 HydrophobicContact CD1-CG 3.77Å; F320-F322 AromaticContact CD1-CZ 3.59Å; F320-F322 HydrophobicContact CD1-CZ 3.59Å; F320-F322 AromaticContact CE1-CD1 3.72Å; F320-F322 HydrophobicContact CE1-CD1 3.72Å; F320-F322 AromaticContact CE1-CE1 3.84Å; F320-F322 HydrophobicContact CE1-CE1 3.84Å; F320-F322 HydrophobicContact CE1-CG 4.1Å; F320-F322 HydrophobicContact CE1-CZ 4.32Å; F320-F322 HydrophobicContact CG-CE2 4.4Å; F320-F322 HydrophobicContact CG-CZ 4.34Å; F320-S326 VanDerWaalsContact CZ-OG 3.31Å; F320-S326 WeakPolarHBondContact CZ-OG 3.37Å; F320-E328 VanDerWaalsContact CZ-O 3.26Å; F320-E328 WeakPolarHBondContact CZ-O 3.43Å; F320-T329 HydrophobicContact CB-CG2 4Å; F320-T329 HydrophobicContact CD1-CG2 3.88Å; F320-T329 HydrophobicContact CD2-CG2 4.08Å; F320-T329 HydrophobicContact CE1-CG2 4.34Å; F320-T329 HydrophobicContact CG-CG2 3.72Å
321V94.8Very high90.6Very high61 Ų6161.4 Ų61.437%0.3731%0.312SS..EExtended strand (participates in β ladder)trans-107.6106.8176.2-175.40000109.2P296 L297 E298P296-V321 HydrophobicContact CB-CG1 3.92Å; L297-V321 CarbonylContact O-C 3.57Å; L297-V321 WeakPolarHBondContact O-CA 3.25Å; E298-V321 HydrophobicContact CB-CG2 4.31Å; E298-V321 HydrophobicContact CG-CG2 4.05Å
322F94.1Very high91Very high0 Ų062.8 Ų62.80%032%0.321CS..EExtended strand (participates in β ladder)trans-82.6132.9179-63.2-89.1000111.2W262 L287 L289 P296 L297 C299 F320 S326 T329W262-F322 AromaticContact CH2-CD2 3.95Å; W262-F322 HydrophobicContact CH2-CD2 3.95Å; W262-F322 HydrophobicContact CH2-CE2 4.03Å; W262-F322 HydrophobicContact CH2-CG 4.35Å; W262-F322 HydrophobicContact CZ3-CD1 4.14Å; W262-F322 AromaticContact CZ3-CD2 3.92Å; W262-F322 HydrophobicContact CZ3-CD2 3.92Å; W262-F322 AromaticContact CZ3-CE1 3.94Å; W262-F322 HydrophobicContact CZ3-CE1 3.94Å; W262-F322 AromaticContact CZ3-CE2 3.71Å; W262-F322 HydrophobicContact CZ3-CE2 3.71Å; W262-F322 HydrophobicContact CZ3-CG 4.13Å; W262-F322 AromaticContact CZ3-CZ 3.73Å; W262-F322 HydrophobicContact CZ3-CZ 3.73Å; L287-F322 HydrophobicContact CB-CZ 4.46Å; L287-F322 HydrophobicContact CD2-CE2 4.39Å; L287-F322 HydrophobicContact CD2-CZ 3.91Å; L287-F322 HydrophobicContact CG-CZ 4.08Å; L289-F322 HydrophobicContact CB-CD1 3.79Å; L289-F322 HydrophobicContact CB-CE1 4.32Å; L289-F322 HydrophobicContact CB-CG 4.35Å; L289-F322 HydrophobicContact CD2-CB 3.62Å; L289-F322 HydrophobicContact CD2-CD1 4.34Å; L289-F322 HydrophobicContact CD2-CG 4.15Å; P296-F322 CarbonylContact C-O 3.45Å; P296-F322 WeakPolarHBondContact CA-O 3.39Å; L297-F322 HydrophobicContact CB-CB 4.27Å; L297-F322 PolarHBondContact N-O 3.5Å; L297-F322 PolarHBondContact O-N 2.85Å; C299-F322 HydrophobicContact CB-CD2 4.15Å; C299-F322 HydrophobicContact CB-CE2 3.99Å; F320-F322 HydrophobicContact CB-CE2 4.14Å; F320-F322 HydrophobicContact CB-CZ 4.36Å; F320-F322 AromaticContact CD1-CD1 3.67Å; F320-F322 HydrophobicContact CD1-CD1 3.67Å; F320-F322 AromaticContact CD1-CD2 3.79Å; F320-F322 HydrophobicContact CD1-CD2 3.79Å; F320-F322 AromaticContact CD1-CE1 3.59Å; F320-F322 HydrophobicContact CD1-CE1 3.59Å; F320-F322 AromaticContact CD1-CE2 3.7Å; F320-F322 HydrophobicContact CD1-CE2 3.7Å; F320-F322 AromaticContact CD1-CG 3.77Å; F320-F322 HydrophobicContact CD1-CG 3.77Å; F320-F322 AromaticContact CD1-CZ 3.59Å; F320-F322 HydrophobicContact CD1-CZ 3.59Å; F320-F322 AromaticContact CE1-CD1 3.72Å; F320-F322 HydrophobicContact CE1-CD1 3.72Å; F320-F322 AromaticContact CE1-CE1 3.84Å; F320-F322 HydrophobicContact CE1-CE1 3.84Å; F320-F322 HydrophobicContact CE1-CG 4.1Å; F320-F322 HydrophobicContact CE1-CZ 4.32Å; F320-F322 HydrophobicContact CG-CE2 4.4Å; F320-F322 HydrophobicContact CG-CZ 4.34Å; F322-S326 WeakPolarHBondContact CA-O 3.34Å; F322-T329 HydrophobicContact CE1-CG2 4Å; F322-T329 HydrophobicContact CZ-CG2 3.7Å
323T92.9Very high91.4Very high33 Ų3360.1 Ų60.120%0.20232%0.322CS..  trans-130.3175.8175.257.90000109.8P296 E325 S326P296-T323 HydrophobicContact CB-CG2 4.03Å; P296-T323 HydrophobicContact CG-CG2 4.21Å; T323-E325 PolarHBondContact O-N 3.19Å; T323-S326 PolarHBondContact N-O 3.49Å; T323-S326 CarbonylContact O-C 3.44Å; T323-S326 VanDerWaalsContact O-C 3.31Å; T323-S326 VanDerWaalsContact O-O 3.11Å; T323-S326 WeakPolarHBondContact OG1-CB 3.32Å; T323-S326 PolarHBondContact OG1-N 2.94Å
324N90.1Very high91.5Very high85 Ų8559.5 Ų59.546%0.45532%0.319SS..SBendtrans-72.1-23.3176.1-69.9-44.2000111.7V293V293-N324 WeakPolarHBondContact CG2-OD1 3.44Å; V293-N324 PolarHBondContact N-OD1 3Å; V293-N324 PolarHBondContact O-ND2 3.38Å; V293-N324 PolarHBondContact O-OD1 2.98Å
325E89.1Confident91.5Very high163 Ų16358.3 Ų58.376%0.76231%0.31SS*.SBendtrans-86.7-32.1176.4-57.871.6-154.900111.9T323T323-E325 PolarHBondContact O-N 3.19Å
326S91.4Very high91.4Very high46 Ų4657.6 Ų57.632%0.32230%0.303SS..  trans-123.987.1179.3-1760000110.1F320 F322 T323F320-S326 VanDerWaalsContact CZ-OG 3.31Å; F320-S326 WeakPolarHBondContact CZ-OG 3.37Å; F322-S326 WeakPolarHBondContact CA-O 3.34Å; T323-S326 PolarHBondContact N-O 3.49Å; T323-S326 CarbonylContact O-C 3.44Å; T323-S326 VanDerWaalsContact O-C 3.31Å; T323-S326 VanDerWaalsContact O-O 3.11Å; T323-S326 WeakPolarHBondContact OG1-CB 3.32Å; T323-S326 PolarHBondContact OG1-N 2.94Å
327N92.8Very high91Very high63 Ų6359.5 Ų59.534%0.33731%0.31SS..  trans-103.23.9-175.867.9-8.1000113.5L288 L289L288-N327 CarbonylContact C-O 3.52Å; L288-N327 WeakPolarHBondContact CA-O 3.13Å; L289-N327 HydrophobicContact CB-CB 4.38Å; L289-N327 PolarHBondContact N-O 3.22Å
328E93.6Very high90.6Very high97 Ų9760.2 Ų60.245%0.45332%0.315SS..BIsolated β-bridgetrans-138140.2-178.665.3-178.9-160.200111L288 F320L288-E328 HydrophobicContact CD2-CB 4.15Å; L288-E328 HydrophobicContact CG-CB 3.9Å; F320-E328 VanDerWaalsContact CZ-O 3.26Å; F320-E328 WeakPolarHBondContact CZ-O 3.43Å
329T94.4Very high90.1Very high5 Ų560.1 Ų60.13%0.03132%0.32CS..PPolyproline II helixtrans-75.4169.8175.667.50000110.7Q286 L287 F301 F320 F322Q286-T329 WeakPolarHBondContact CG-O 3.29Å; Q286-T329 PolarHBondContact NE2-O 2.97Å; L287-T329 HydrophobicContact CB-CG2 4.13Å; L287-T329 PolarHBondContact N-OG1 3.33Å; L287-T329 VanDerWaalsContact N-OG1 3.08Å; L287-T329 PolarHBondContact O-N 3.39Å; L287-T329 VanDerWaalsContact O-N 3.08Å; F301-T329 HydrophobicContact CE1-CG2 4.07Å; F301-T329 HydrophobicContact CZ-CG2 3.99Å; F320-T329 HydrophobicContact CB-CG2 4Å; F320-T329 HydrophobicContact CD1-CG2 3.88Å; F320-T329 HydrophobicContact CD2-CG2 4.08Å; F320-T329 HydrophobicContact CE1-CG2 4.34Å; F320-T329 HydrophobicContact CG-CG2 3.72Å; F322-T329 HydrophobicContact CE1-CG2 4Å; F322-T329 HydrophobicContact CZ-CG2 3.7Å
330D92.5Very high89.5Confident134 Ų13459 Ų5972%0.71732%0.32SS*.PPolyproline II helixtrans-68.2163.8159.6-68.4-46.9000110.7V332D330-V332 PolarHBondContact O-N 3.35Å
331Y91.3Very high89Confident60 Ų6057.3 Ų57.324%0.23531%0.312CS..PPolyproline II helixtrans-71.4120.2169.1-81-87.7000109.5R267 F285 Q286R267-Y331 HydrophobicContact CB-CE1 4.47Å; R267-Y331 HydrophobicContact CG-CD1 3.9Å; R267-Y331 HydrophobicContact CG-CE1 3.44Å; R267-Y331 VanDerWaalsContact CG-CE1 3.44Å; R267-Y331 VanDerWaalsContact NE-CE2 3.26Å; R267-Y331 PolarHBondContact NE-OH 3.07Å; R267-Y331 VanDerWaalsContact NH2-CZ 3.35Å; R267-Y331 PolarHBondContact NH2-OH 3.23Å; F285-Y331 WeakPolarHBondContact O-CA 3.43Å; Q286-Y331 HydrophobicContact CB-CD1 3.85Å; Q286-Y331 HydrophobicContact CB-CD2 4.23Å; Q286-Y331 HydrophobicContact CB-CE1 3.6Å; Q286-Y331 HydrophobicContact CB-CE2 4.01Å; Q286-Y331 HydrophobicContact CB-CG 4.17Å; Q286-Y331 HydrophobicContact CG-CE2 4.38Å; Q286-Y331 VanDerWaalsContact OE1-CZ 3.23Å; Q286-Y331 PolarHBondContact OE1-OH 3.21Å
332V91.4Very high88.7Confident29 Ų2954.5 Ų54.518%0.17630%0.295CS..EExtended strand (participates in β ladder)trans-112.8144.9177-65.70000110S284 F285 Y318 D330 L334S284-V332 CarbonylContact C-O 3.45Å; S284-V332 VanDerWaalsContact CA-O 3.23Å; S284-V332 WeakPolarHBondContact CA-O 3.43Å; S284-V332 WeakPolarHBondContact CB-O 3.31Å; F285-V332 HydrophobicContact CD1-CG2 4.13Å; F285-V332 HydrophobicContact CE1-CG2 3.74Å; F285-V332 HydrophobicContact CE2-CG2 4.25Å; F285-V332 HydrophobicContact CZ-CG2 3.81Å; F285-V332 PolarHBondContact N-O 2.94Å; F285-V332 WeakPolarHBondContact O-CG2 3.44Å; F285-V332 PolarHBondContact O-N 3.21Å; Y318-V332 HydrophobicContact CD1-CB 4.16Å; Y318-V332 HydrophobicContact CD1-CG1 4.05Å; Y318-V332 HydrophobicContact CD1-CG2 4.05Å; Y318-V332 HydrophobicContact CD2-CG2 4.27Å; Y318-V332 HydrophobicContact CE1-CB 3.65Å; Y318-V332 HydrophobicContact CE1-CG1 3.92Å; Y318-V332 HydrophobicContact CE1-CG2 3.8Å; Y318-V332 HydrophobicContact CE2-CG2 4Å; Y318-V332 HydrophobicContact CG-CG2 4.28Å; D330-V332 PolarHBondContact O-N 3.35Å; V332-L334 PolarHBondContact O-N 3.3Å
333P89.3Confident88.4Confident85 Ų8554.9 Ų54.955%0.55230%0.297SS*.EExtended strand (participates in β ladder)trans-65.1137.8178.926.9-33.8000110.7Y318 P335Y318-P333 PolarHBondContact OH-O 3.47Å; P333-P335 VanDerWaalsContact O-CD 3.31Å; P333-P335 WeakPolarHBondContact O-CD 3.4Å
334L89.3Confident88.1Confident9 Ų956 Ų565%0.04730%0.299CS..  trans-73.4118.5162.5-170.166.2000106.9L283 F285 L303 I313 V332 I336 L345 L353L283-L334 HydrophobicContact CB-CB 4.34Å; L283-L334 HydrophobicContact CD2-CD2 3.78Å; L283-L334 VanDerWaalsContact O-CB 3.29Å; L283-L334 WeakPolarHBondContact O-CB 3.29Å; L283-L334 PolarHBondContact O-N 2.84Å; F285-L334 HydrophobicContact CD1-CB 4.17Å; F285-L334 HydrophobicContact CD1-CD1 4.08Å; F285-L334 HydrophobicContact CE1-CD1 3.99Å; L303-L334 HydrophobicContact CB-CD1 4.1Å; L303-L334 HydrophobicContact CD2-CD1 3.83Å; L303-L334 HydrophobicContact CG-CD1 4.23Å; I313-L334 HydrophobicContact CD1-CD2 4.13Å; I313-L334 HydrophobicContact CG2-CD1 4.25Å; I313-L334 HydrophobicContact CG2-CG 4.39Å; V332-L334 PolarHBondContact O-N 3.3Å; L334-I336 HydrophobicContact CB-CD1 4.46Å; L334-I336 HydrophobicContact CB-CG1 4.27Å; L334-I336 HydrophobicContact CD2-CD1 4.1Å; L334-I336 HydrophobicContact CD2-CG1 4.02Å; L334-I336 HydrophobicContact CG-CD1 4.46Å; L334-I336 HydrophobicContact CG-CG1 4.01Å; L334-I336 PolarHBondContact O-N 2.87Å; L334-L345 HydrophobicContact CD2-CD1 4.21Å; L334-L353 HydrophobicContact CD2-CD1 3.97Å
335P85.6Confident88.1Confident29 Ų2952.1 Ų52.119%0.18828%0.278CS..  trans-73.366.4-17532.8-41.6000112.2I313 S314 V316 P333I313-P335 HydrophobicContact CG2-CG 4.12Å; S314-P335 PolarHBondContact N-O 2.74Å; S314-P335 WeakPolarHBondContact O-CG 3.49Å; V316-P335 HydrophobicContact CB-CG 4.1Å; V316-P335 HydrophobicContact CG2-CB 3.8Å; V316-P335 HydrophobicContact CG2-CG 3.67Å; P333-P335 VanDerWaalsContact O-CD 3.31Å; P333-P335 WeakPolarHBondContact O-CD 3.4Å
336I86.3Confident88Confident29 Ų2944.4 Ų44.415%0.14924%0.242CC..BIsolated β-bridgetrans-77.1135.6172.5-54.6168.1000108L283 L334 D338 E341 C342 L345L283-I336 HydrophobicContact CB-CD1 3.97Å; L334-I336 HydrophobicContact CB-CD1 4.46Å; L334-I336 HydrophobicContact CB-CG1 4.27Å; L334-I336 HydrophobicContact CD2-CD1 4.1Å; L334-I336 HydrophobicContact CD2-CG1 4.02Å; L334-I336 HydrophobicContact CG-CD1 4.46Å; L334-I336 HydrophobicContact CG-CG1 4.01Å; L334-I336 PolarHBondContact O-N 2.87Å; I336-D338 WeakPolarHBondContact CG2-O 3.48Å; I336-D338 PolarHBondContact O-N 3.39Å; I336-E341 HydrophobicContact CG2-CB 3.47Å; I336-E341 VanDerWaalsContact CG2-CB 3.47Å; I336-C342 HydrophobicContact CD1-CB 3.99Å; I336-C342 HydrophobicContact CG2-CB 4.26Å; I336-L345 HydrophobicContact CD1-CD1 3.79Å; I336-L345 HydrophobicContact CG1-CD1 4.4Å
337I80.9Confident87.8Confident94 Ų9442.7 Ų42.748%0.48223%0.231SC..SBendtrans-63.9-42.4-173.2-59.8-178.2000112.1R312R312-I337 HydrophobicContact CB-CD1 3.47Å; R312-I337 VanDerWaalsContact CB-CD1 3.47Å; R312-I337 HydrophobicContact CB-CG1 4.2Å; R312-I337 HydrophobicContact CG-CD1 4.47Å
338D81.6Confident87.4Confident63 Ų6340.6 Ų40.634%0.33722%0.223SC..SBendtrans-150.8173.3-177.766.636.7000112.4I336 V340 E341 C342I336-D338 WeakPolarHBondContact CG2-O 3.48Å; I336-D338 PolarHBondContact O-N 3.39Å; D338-V340 VanDerWaalsContact C-N 3.27Å; D338-V340 PolarHBondContact O-N 3.13Å; D338-V340 WeakPolarHBondContact OD1-CA 3.43Å; D338-V340 VanDerWaalsContact OD1-CB 3.31Å; D338-V340 WeakPolarHBondContact OD1-CB 3.47Å; D338-V340 PolarHBondContact OD1-N 3.31Å; D338-E341 PolarHBondContact O-N 2.98Å; D338-E341 VanDerWaalsContact OD1-CG 3.31Å; D338-E341 WeakPolarHBondContact OD1-CG 3.42Å; D338-E341 PolarHBondContact OD1-N 3.01Å; D338-C342 PolarHBondContact O-N 3.37Å
339S81.4Confident86.9Confident36 Ų3643.9 Ų43.925%0.25224%0.235SC..Hα-helixtrans-70.5-19.6178.3-59.80000113.7R281 C342 N343R281-S339 PolarHBondContact N-OG 3.27Å; S339-C342 PolarHBondContact O-N 3.27Å; S339-N343 PolarHBondContact O-N 3.14Å; S339-N343 PolarHBondContact O-ND2 3.46Å; S339-N343 PolarHBondContact O-OD1 2.94Å
340V81.8Confident86.7Confident76 Ų7646.2 Ų46.246%0.46125%0.248SC..Hα-helixtrans-71.3-45.3176.5-179.80000109.8D338 C342 N343 K344D338-V340 VanDerWaalsContact C-N 3.27Å; D338-V340 PolarHBondContact O-N 3.13Å; D338-V340 WeakPolarHBondContact OD1-CA 3.43Å; D338-V340 VanDerWaalsContact OD1-CB 3.31Å; D338-V340 WeakPolarHBondContact OD1-CB 3.47Å; D338-V340 PolarHBondContact OD1-N 3.31Å; V340-C342 VanDerWaalsContact C-N 3.29Å; V340-C342 PolarHBondContact O-N 2.91Å; V340-N343 WeakPolarHBondContact O-CB 3.24Å; V340-N343 PolarHBondContact O-N 3.43Å; V340-N343 VanDerWaalsContact O-N 3.17Å; V340-K344 PolarHBondContact O-N 3.13Å; V340-K344 VanDerWaalsContact O-N 3.12Å
341E85.4Confident86.6Confident7 Ų739.9 Ų39.93%0.03321%0.214CC..Hα-helixtrans-60.6-39.4172.6-63.3-59.6166.600110.8V311 R312 I336 D338 N343 K344 L345V311-E341 WeakPolarHBondContact CA-OE2 3.43Å; V311-E341 HydrophobicContact CG1-CB 4.14Å; R312-E341 HydrophobicContact CB-CG 4.44Å; R312-E341 IonicContact CZ-OE1 3.48Å; R312-E341 PolarHBondContact N-OE2 2.95Å; R312-E341 IonicContact NE-OE1 3.58Å; R312-E341 PolarHBondContact NE-OE1 2.95Å; R312-E341 IonicContact NH2-OE1 3.63Å; R312-E341 PolarHBondContact NH2-OE1 2.95Å; I336-E341 HydrophobicContact CG2-CB 3.47Å; I336-E341 VanDerWaalsContact CG2-CB 3.47Å; D338-E341 PolarHBondContact O-N 2.98Å; D338-E341 VanDerWaalsContact OD1-CG 3.31Å; D338-E341 WeakPolarHBondContact OD1-CG 3.42Å; D338-E341 PolarHBondContact OD1-N 3.01Å; E341-N343 PolarHBondContact O-N 3.32Å; E341-K344 WeakPolarHBondContact O-CB 3.26Å; E341-K344 PolarHBondContact O-N 2.94Å; E341-K344 IonicContact OE1-NZ 2.79Å; E341-K344 PolarHBondContact OE1-NZ 3.01Å; E341-K344 VanDerWaalsContact OE1-NZ 3.1Å; E341-K344 WeakPolarHBondContact OE2-CD 3.46Å; E341-K344 WeakPolarHBondContact OE2-CE 3.46Å; E341-K344 IonicContact OE2-NZ 3.31Å; E341-K344 PolarHBondContact OE2-NZ 2.88Å; E341-L345 PolarHBondContact O-N 3.36Å
342C87.4Confident86.6Confident1 Ų140.1 Ų40.11%0.00722%0.219CC..Hα-helixtrans-63.1-41.3173.7-170.20000111.9R281 I336 D338 S339 V340 K344 L345 L346R281-C342 HydrophobicContact CB-CB 4.21Å; I336-C342 HydrophobicContact CD1-CB 3.99Å; I336-C342 HydrophobicContact CG2-CB 4.26Å; D338-C342 PolarHBondContact O-N 3.37Å; S339-C342 PolarHBondContact O-N 3.27Å; V340-C342 VanDerWaalsContact C-N 3.29Å; V340-C342 PolarHBondContact O-N 2.91Å; C342-K344 VanDerWaalsContact C-N 3.27Å; C342-K344 PolarHBondContact O-N 2.88Å; C342-L345 WeakPolarHBondContact O-CB 3.42Å; C342-L345 PolarHBondContact O-N 3.06Å; C342-L345 VanDerWaalsContact O-N 3.17Å; C342-L346 WeakPolarHBondContact O-CG 3.27Å; C342-L346 PolarHBondContact O-N 3.35Å; C342-L346 VanDerWaalsContact O-N 3.08Å
343N87.3Confident86.7Confident9 Ų938.8 Ų38.85%0.04821%0.211CC..Hα-helixtrans-61.9-34.4176.5-67.2-25.1000112.4I95 A99 R281 S339 V340 E341 L345 L346 A347I95-N343 VanDerWaalsContact CG2-C 3.42Å; I95-N343 HydrophobicContact CG2-CB 3.75Å; I95-N343 WeakPolarHBondContact CG2-O 3.44Å; A99-N343 HydrophobicContact CB-CB 4.18Å; R281-N343 WeakPolarHBondContact CD-OD1 3.29Å; R281-N343 PolarHBondContact NH1-OD1 2.66Å; S339-N343 PolarHBondContact O-N 3.14Å; S339-N343 PolarHBondContact O-ND2 3.46Å; S339-N343 PolarHBondContact O-OD1 2.94Å; V340-N343 WeakPolarHBondContact O-CB 3.24Å; V340-N343 PolarHBondContact O-N 3.43Å; V340-N343 VanDerWaalsContact O-N 3.17Å; E341-N343 PolarHBondContact O-N 3.32Å; N343-L345 VanDerWaalsContact C-N 3.32Å; N343-L345 PolarHBondContact O-N 3.49Å; N343-L346 PolarHBondContact O-N 3.25Å; N343-A347 WeakPolarHBondContact O-CB 3.18Å; N343-A347 PolarHBondContact O-N 2.87Å
344K87.6Confident86.8Confident57 Ų5738.6 Ų38.625%0.24820%0.199CC..Hα-helixtrans-60.5-42.3175.6-66.7177.2-170.91680111.7I95 D310 V311 V340 E341 C342 A348I95-K344 HydrophobicContact CG2-CB 4.43Å; I95-K344 HydrophobicContact CG2-CG 4.07Å; D310-K344 PolarHBondContact O-NZ 3.48Å; V311-K344 HydrophobicContact CG2-CB 3.63Å; V311-K344 HydrophobicContact CG2-CD 4.17Å; V340-K344 PolarHBondContact O-N 3.13Å; V340-K344 VanDerWaalsContact O-N 3.12Å; E341-K344 WeakPolarHBondContact O-CB 3.26Å; E341-K344 PolarHBondContact O-N 2.94Å; E341-K344 IonicContact OE1-NZ 2.79Å; E341-K344 PolarHBondContact OE1-NZ 3.01Å; E341-K344 VanDerWaalsContact OE1-NZ 3.1Å; E341-K344 WeakPolarHBondContact OE2-CD 3.46Å; E341-K344 WeakPolarHBondContact OE2-CE 3.46Å; E341-K344 IonicContact OE2-NZ 3.31Å; E341-K344 PolarHBondContact OE2-NZ 2.88Å; C342-K344 VanDerWaalsContact C-N 3.27Å; C342-K344 PolarHBondContact O-N 2.88Å; K344-A348 PolarHBondContact O-N 3.49Å
345L88.8Confident87.1Confident2 Ų238.3 Ų38.31%0.0120%0.198CC..Hα-helixtrans-64.1-48.1175.7-64.4179.5000111.3L283 D309 V311 L334 I336 E341 C342 N343 A347 A348 I351L283-L345 HydrophobicContact CD2-CD1 4.5Å; D309-L345 WeakPolarHBondContact OD2-CD2 3.45Å; V311-L345 HydrophobicContact CB-CD2 3.93Å; V311-L345 HydrophobicContact CB-CG 4.32Å; V311-L345 HydrophobicContact CG1-CD1 4.13Å; V311-L345 HydrophobicContact CG1-CD2 3.97Å; V311-L345 HydrophobicContact CG1-CG 3.89Å; V311-L345 HydrophobicContact CG2-CD2 3.47Å; V311-L345 VanDerWaalsContact CG2-CD2 3.47Å; V311-L345 HydrophobicContact CG2-CG 3.8Å; L334-L345 HydrophobicContact CD2-CD1 4.21Å; I336-L345 HydrophobicContact CD1-CD1 3.79Å; I336-L345 HydrophobicContact CG1-CD1 4.4Å; E341-L345 PolarHBondContact O-N 3.36Å; C342-L345 WeakPolarHBondContact O-CB 3.42Å; C342-L345 PolarHBondContact O-N 3.06Å; C342-L345 VanDerWaalsContact O-N 3.17Å; N343-L345 VanDerWaalsContact C-N 3.32Å; N343-L345 PolarHBondContact O-N 3.49Å; L345-A347 VanDerWaalsContact C-N 3.31Å; L345-A347 PolarHBondContact O-N 2.93Å; L345-A348 WeakPolarHBondContact O-CB 3.35Å; L345-A348 PolarHBondContact O-N 3.32Å; L345-A348 VanDerWaalsContact O-N 3.12Å; L345-I351 HydrophobicContact CB-CD1 4.08Å; L345-I351 HydrophobicContact CB-CG1 4.12Å; L345-I351 HydrophobicContact CD2-CG2 4.04Å; L345-I351 WeakPolarHBondContact O-CG1 3.37Å
346L88.4Confident87.5Confident1 Ų139.3 Ų39.31%0.00520%0.199CC..Hα-helixtrans-67.8-29.3-178.8-65.5175.6000113.1A99 Y250 V268 R281 C342 N343 A348A99-L346 HydrophobicContact CB-CB 3.71Å; Y250-L346 HydrophobicContact CE2-CD2 3.95Å; V268-L346 HydrophobicContact CG1-CD1 4.16Å; V268-L346 HydrophobicContact CG1-CD2 4.31Å; V268-L346 HydrophobicContact CG2-CD2 3.77Å; R281-L346 HydrophobicContact CB-CD1 4.33Å; C342-L346 WeakPolarHBondContact O-CG 3.27Å; C342-L346 PolarHBondContact O-N 3.35Å; C342-L346 VanDerWaalsContact O-N 3.08Å; N343-L346 PolarHBondContact O-N 3.25Å; L346-A348 PolarHBondContact O-N 3.17Å
347A86.5Confident87.9Confident11 Ų1138 Ų389%0.09119%0.193CC..THydrogen-bonded Turntrans-72.4-14.3174.700000113.1I95 L98 A99 N343 L345I95-A347 HydrophobicContact CD1-CB 4.1Å; I95-A347 HydrophobicContact CG2-CB 4.04Å; L98-A347 HydrophobicContact CB-CB 3.71Å; L98-A347 HydrophobicContact CD1-CB 4.26Å; A99-A347 HydrophobicContact CB-CB 4.44Å; N343-A347 WeakPolarHBondContact O-CB 3.18Å; N343-A347 PolarHBondContact O-N 2.87Å; L345-A347 VanDerWaalsContact C-N 3.31Å; L345-A347 PolarHBondContact O-N 2.93Å
348A85.4Confident88.5Confident19 Ų1933.6 Ų33.616%0.15717%0.17CC..SBendtrans-79.915217500000111.5K344 L345 L346 N350K344-A348 PolarHBondContact O-N 3.49Å; L345-A348 WeakPolarHBondContact O-CB 3.35Å; L345-A348 PolarHBondContact O-N 3.32Å; L345-A348 VanDerWaalsContact O-N 3.12Å; L346-A348 PolarHBondContact O-N 3.17Å; A348-N350 WeakPolarHBondContact CB-O 3.28Å
349K83Confident89Confident165 Ų16532.1 Ų32.172%0.71716%0.161SC*.SBendtrans-66.2-43.9175.2-71.5-174.8178.7-178.50111.3P238P238-K349 WeakPolarHBondContact CD-O 3.31Å
350N88.9Confident89.3Confident54 Ų5432 Ų3229%0.28916%0.157SC..SBendtrans-127.8148.9174.6-59.3-30.5000108.1Q235 F236 A348Q235-N350 VanDerWaalsContact CD-ND2 3.34Å; Q235-N350 HydrophobicContact CG-CB 3.7Å; Q235-N350 PolarHBondContact NE2-ND2 2.82Å; Q235-N350 PolarHBondContact OE1-ND2 3.32Å; F236-N350 WeakPolarHBondContact O-CA 3.42Å; A348-N350 WeakPolarHBondContact CB-O 3.28Å
351I90.8Very high88.9Confident2 Ų232.8 Ų32.81%0.0116%0.156CC..EExtended strand (participates in β ladder)trans-98.4120.7174.6-64.8166.2000107.8F236 Y250 L283 L345 L353F236-I351 HydrophobicContact CB-CB 3.97Å; F236-I351 WeakPolarHBondContact CB-O 3.4Å; F236-I351 HydrophobicContact CD2-CG2 4.48Å; F236-I351 PolarHBondContact N-O 2.86Å; F236-I351 PolarHBondContact O-N 3.47Å; F236-I351 VanDerWaalsContact O-N 3.09Å; Y250-I351 HydrophobicContact CD1-CD1 3.95Å; Y250-I351 HydrophobicContact CD1-CG1 4.48Å; Y250-I351 HydrophobicContact CD2-CD1 4.36Å; Y250-I351 HydrophobicContact CE1-CD1 3.66Å; Y250-I351 HydrophobicContact CE1-CG1 4.11Å; Y250-I351 HydrophobicContact CE2-CD1 4.12Å; Y250-I351 HydrophobicContact CG-CD1 4.28Å; L283-I351 HydrophobicContact CD2-CD1 4.38Å; L345-I351 HydrophobicContact CB-CD1 4.08Å; L345-I351 HydrophobicContact CB-CG1 4.12Å; L345-I351 HydrophobicContact CD2-CG2 4.04Å; L345-I351 WeakPolarHBondContact O-CG1 3.37Å; I351-L353 HydrophobicContact CG2-CD1 3.94Å; I351-L353 HydrophobicContact CG2-CD2 4.35Å; I351-L353 HydrophobicContact CG2-CG 3.85Å
352N91.3Very high87.6Confident64 Ų6444.3 Ų44.334%0.34221%0.206SC..EExtended strand (participates in β ladder)trans-106.1122.8179.5-54.5-59.2000109.2V234 Q235 G306V234-N352 WeakPolarHBondContact O-CA 3.36Å; Q235-N352 WeakPolarHBondContact CG-OD1 3.43Å; Q235-N352 PolarHBondContact NE2-OD1 3.33Å; G306-N352 WeakPolarHBondContact CA-O 3.43Å; G306-N352 PolarHBondContact N-O 2.94Å
353L92.9Very high87.7Confident1 Ų146.5 Ų46.51%0.00522%0.216CC..EExtended strand (participates in β ladder)trans-132164.8-179.4-63.3174.8000110.1V234 F236 L303 L304 I313 L334 I351V234-L353 HydrophobicContact CG2-CB 4.02Å; V234-L353 WeakPolarHBondContact CG2-O 3.49Å; V234-L353 PolarHBondContact N-O 3.25Å; V234-L353 PolarHBondContact O-N 3.16Å; F236-L353 HydrophobicContact CD2-CD1 4.25Å; F236-L353 HydrophobicContact CE2-CB 4.46Å; F236-L353 HydrophobicContact CE2-CD1 3.88Å; L303-L353 HydrophobicContact CD1-CB 3.78Å; L303-L353 HydrophobicContact CD1-CD1 4.44Å; L303-L353 HydrophobicContact CD2-CB 4.32Å; L303-L353 HydrophobicContact CD2-CD1 3.43Å; L303-L353 VanDerWaalsContact CD2-CD1 3.43Å; L303-L353 HydrophobicContact CD2-CG 4.48Å; L303-L353 HydrophobicContact CG-CB 3.89Å; L303-L353 HydrophobicContact CG-CD1 3.81Å; L303-L353 HydrophobicContact CG-CG 4.41Å; L304-L353 CarbonylContact O-C 3.52Å; L304-L353 WeakPolarHBondContact O-CA 3.41Å; L304-L353 WeakPolarHBondContact O-CB 3.38Å; L304-L353 WeakPolarHBondContact O-CD2 3.49Å; I313-L353 HydrophobicContact CD1-CD2 3.51Å; L334-L353 HydrophobicContact CD2-CD1 3.97Å; I351-L353 HydrophobicContact CG2-CD1 3.94Å; I351-L353 HydrophobicContact CG2-CD2 4.35Å; I351-L353 HydrophobicContact CG2-CG 3.85Å
354R92.9Very high87.7Confident82 Ų8248.5 Ų48.531%0.30923%0.225SC..EExtended strand (participates in β ladder)trans-109.6119.9176.9-75.5175.5176.7171.6-3.7109.7Y231 E233 L303 L304 K305 F356Y231-R354 HydrophobicContact CE2-CB 4.16Å; Y231-R354 HydrophobicContact CE2-CG 4.01Å; E233-R354 HydrophobicContact CG-CG 4.21Å; E233-R354 IonicContact OE1-CZ 3.53Å; E233-R354 IonicContact OE1-NE 3.67Å; E233-R354 PolarHBondContact OE1-NE 2.97Å; E233-R354 IonicContact OE1-NH2 3.2Å; E233-R354 PolarHBondContact OE1-NH2 2.97Å; L303-R354 WeakPolarHBondContact CA-O 3.49Å; L304-R354 HydrophobicContact CB-CB 4.27Å; L304-R354 PolarHBondContact N-O 2.65Å; L304-R354 PolarHBondContact O-N 3.43Å; K305-R354 WeakPolarHBondContact O-CD 3.23Å; R354-F356 HydrophobicContact CB-CE2 4.19Å
355L94.4Very high87.7Confident2 Ų248 Ų481%0.0122%0.223CC..EExtended strand (participates in β ladder)trans-98.6126.3176.3179.767.9000109.3T232 V234 F255 L264 L287 F301 L303 L357T232-L355 HydrophobicContact CG2-CB 4.15Å; T232-L355 HydrophobicContact CG2-CD2 4.29Å; T232-L355 PolarHBondContact N-O 3.16Å; T232-L355 PolarHBondContact O-N 2.69Å; V234-L355 HydrophobicContact CG1-CB 4.02Å; V234-L355 HydrophobicContact CG1-CD2 4.36Å; V234-L355 HydrophobicContact CG2-CB 4.44Å; F255-L355 HydrophobicContact CE2-CD2 3.51Å; F255-L355 HydrophobicContact CZ-CD2 3.41Å; F255-L355 VanDerWaalsContact CZ-CD2 3.41Å; L264-L355 HydrophobicContact CD1-CD1 4.42Å; L264-L355 HydrophobicContact CD1-CD2 4.02Å; L287-L355 HydrophobicContact CD1-CD2 4.41Å; F301-L355 HydrophobicContact CB-CD1 4.39Å; L303-L355 HydrophobicContact CD1-CB 4.05Å; L303-L355 HydrophobicContact CD1-CD1 4.16Å; L355-L357 HydrophobicContact CD1-CD1 3.67Å; L355-L357 HydrophobicContact CD2-CD1 3.44Å; L355-L357 VanDerWaalsContact CD2-CD1 3.44Å; L355-L357 HydrophobicContact CG-CD1 3.47Å; L355-L357 VanDerWaalsContact CG-CD1 3.47Å
356F94.1Very high87.6Confident51 Ų5150.7 Ų50.722%0.22424%0.236CC..EExtended strand (participates in β ladder)trans-108.9129.4165.1-67.9-99.8000108.5G230 Y231 F301 L302 L304 R354 F358G230-F356 WeakPolarHBondContact O-CA 3.39Å; Y231-F356 HydrophobicContact CD2-CD1 4.11Å; Y231-F356 HydrophobicContact CD2-CD2 4.34Å; Y231-F356 AromaticContact CD2-CE1 3.62Å; Y231-F356 HydrophobicContact CD2-CE1 3.62Å; Y231-F356 AromaticContact CD2-CE2 3.87Å; Y231-F356 HydrophobicContact CD2-CE2 3.87Å; Y231-F356 HydrophobicContact CD2-CG 4.45Å; Y231-F356 AromaticContact CD2-CZ 3.48Å; Y231-F356 HydrophobicContact CD2-CZ 3.48Å; Y231-F356 VanDerWaalsContact CD2-CZ 3.48Å; Y231-F356 HydrophobicContact CE2-CE1 4.38Å; Y231-F356 HydrophobicContact CE2-CE2 4.06Å; Y231-F356 AromaticContact CE2-CZ 3.81Å; Y231-F356 HydrophobicContact CE2-CZ 3.81Å; Y231-F356 HydrophobicContact CG-CE1 4.27Å; Y231-F356 HydrophobicContact CG-CZ 4.5Å; F301-F356 WeakPolarHBondContact CA-O 3.45Å; F301-F356 WeakPolarHBondContact CB-O 3.29Å; L302-F356 HydrophobicContact CD2-CB 3.86Å; L302-F356 HydrophobicContact CG-CB 4.02Å; L302-F356 HydrophobicContact CG-CD2 4.49Å; L302-F356 PolarHBondContact N-O 3.35Å; L302-F356 PolarHBondContact O-N 3.39Å; L304-F356 HydrophobicContact CD1-CD2 4.11Å; L304-F356 HydrophobicContact CD1-CE2 3.84Å; R354-F356 HydrophobicContact CB-CE2 4.19Å; F356-F358 HydrophobicContact CB-CE2 3.62Å; F356-F358 HydrophobicContact CB-CZ 4.09Å; F356-F358 HydrophobicContact CD1-CZ 4.47Å
357L94.8Very high87.6Confident1 Ų153.8 Ų53.81%0.00525%0.25CS..EExtended strand (participates in β ladder)trans-117.3138172.8-108.380.8000109.3G230 V257 L258 W262 L287 F301 L355G230-L357 PolarHBondContact N-O 2.94Å; G230-L357 PolarHBondContact O-N 2.95Å; V257-L357 HydrophobicContact CG1-CB 4.39Å; L258-L357 HydrophobicContact CD1-CB 4.1Å; W262-L357 HydrophobicContact CD2-CD2 4.11Å; W262-L357 HydrophobicContact CE3-CD2 4.46Å; W262-L357 HydrophobicContact CH2-CD2 3.87Å; W262-L357 HydrophobicContact CZ2-CD2 3.45Å; W262-L357 VanDerWaalsContact CZ2-CD2 3.45Å; W262-L357 HydrophobicContact CZ3-CD2 4.35Å; L287-L357 HydrophobicContact CD2-CD1 4.03Å; F301-L357 HydrophobicContact CB-CD1 3.91Å; F301-L357 HydrophobicContact CB-CG 4.17Å; L355-L357 HydrophobicContact CD1-CD1 3.67Å; L355-L357 HydrophobicContact CD2-CD1 3.44Å; L355-L357 VanDerWaalsContact CD2-CD1 3.44Å; L355-L357 HydrophobicContact CG-CD1 3.47Å; L355-L357 VanDerWaalsContact CG-CD1 3.47Å
358F94.1Very high87.6Confident2 Ų256.7 Ų56.71%0.00926%0.261CS..EExtended strand (participates in β ladder)trans-126.9112.5178.8-62.6-88.6000107.2L223 L224 F226 I229 C299 S300 L302 F356L223-F358 HydrophobicContact CB-CD1 3.69Å; L223-F358 HydrophobicContact CB-CD2 4.29Å; L223-F358 HydrophobicContact CB-CE1 3.79Å; L223-F358 HydrophobicContact CB-CE2 4.4Å; L223-F358 HydrophobicContact CB-CG 3.95Å; L223-F358 HydrophobicContact CB-CZ 4.15Å; L223-F358 HydrophobicContact CD1-CD2 4.11Å; L223-F358 HydrophobicContact CD1-CE2 4.34Å; L223-F358 HydrophobicContact CD1-CG 4.42Å; L223-F358 HydrophobicContact CD2-CB 4.32Å; L223-F358 HydrophobicContact CD2-CG 4.42Å; L223-F358 WeakPolarHBondContact O-CD1 3.35Å; L223-F358 WeakPolarHBondContact O-CE1 3.49Å; L224-F358 HydrophobicContact CD2-CE1 4.05Å; L224-F358 HydrophobicContact CD2-CZ 4.2Å; F226-F358 HydrophobicContact CD2-CB 4.11Å; I229-F358 HydrophobicContact CB-CD1 4.38Å; I229-F358 HydrophobicContact CB-CE1 4.39Å; I229-F358 HydrophobicContact CD1-CD1 4.26Å; I229-F358 HydrophobicContact CD1-CE1 4.01Å; I229-F358 HydrophobicContact CG1-CD1 3.8Å; I229-F358 HydrophobicContact CG1-CE1 3.96Å; I229-F358 HydrophobicContact CG2-CD1 3.97Å; I229-F358 HydrophobicContact CG2-CE1 3.61Å; I229-F358 HydrophobicContact CG2-CZ 4.2Å; C299-F358 CarbonylContact C-O 3.51Å; C299-F358 VanDerWaalsContact CA-O 3.25Å; C299-F358 WeakPolarHBondContact CA-O 3.39Å; S300-F358 PolarHBondContact N-O 3.35Å; S300-F358 WeakPolarHBondContact O-CB 3.27Å; S300-F358 WeakPolarHBondContact O-CD2 3.24Å; S300-F358 PolarHBondContact O-N 2.93Å; L302-F358 HydrophobicContact CD2-CD2 4.22Å; L302-F358 HydrophobicContact CD2-CE2 3.45Å; L302-F358 VanDerWaalsContact CD2-CE2 3.45Å; L302-F358 HydrophobicContact CD2-CZ 4.32Å; F356-F358 HydrophobicContact CB-CE2 3.62Å; F356-F358 HydrophobicContact CB-CZ 4.09Å; F356-F358 HydrophobicContact CD1-CZ 4.47Å
359Q91.6Very high87.8Confident31 Ų3159.4 Ų59.415%0.14527%0.268CS..EExtended strand (participates in β ladder)trans-87.1115.6174.1179.9178.5-4.500108.6K228 L258 Q361K228-Q359 HydrophobicContact CB-CB 3.88Å; K228-Q359 HydrophobicContact CD-CB 4.47Å; K228-Q359 HydrophobicContact CD-CG 4.42Å; K228-Q359 PolarHBondContact O-N 3.25Å; L258-Q359 HydrophobicContact CD1-CB 3.97Å; Q359-Q361 PolarHBondContact O-N 3.16Å
360I87.6Confident88.2Confident35 Ų3551.2 Ų51.218%0.17923%0.234CC..  trans-76.5116.7175.7-64.7160.3000107.1F226 E298 S300 H319F226-I360 HydrophobicContact CD2-CG1 4.21Å; F226-I360 HydrophobicContact CE2-CB 4.39Å; F226-I360 HydrophobicContact CE2-CD1 4.37Å; F226-I360 HydrophobicContact CE2-CG1 3.41Å; F226-I360 VanDerWaalsContact CE2-CG1 3.41Å; F226-I360 HydrophobicContact CZ-CG1 3.88Å; E298-I360 HydrophobicContact CB-CB 4.24Å; E298-I360 HydrophobicContact CG-CB 3.99Å; E298-I360 HydrophobicContact CG-CD1 3.94Å; E298-I360 HydrophobicContact CG-CG2 4.4Å; E298-I360 PolarHBondContact O-N 3.32Å; S300-I360 WeakPolarHBondContact OG-CD1 3.33Å; H319-I360 VanDerWaalsContact CE1-CD1 3.47Å; H319-I360 WeakPolarHBondContact CE1-CD1 3.31Å
361Q73.9Confident88.1Confident92 Ų9251 Ų5143%0.4323%0.229SC..  trans-96.4129.1168.1-67-177.9-76.200107.6K228 Q359K228-Q361 HydrophobicContact CD-CG 4.34Å; Q359-Q361 PolarHBondContact O-N 3.16Å
362K58.8Low87.8Confident249 Ų24955.5 Ų55.5100%1.08325%0.249SC*.  trans-77.70169.2-75.1-175.1-179.6176.20110.9E298E298-K362 WeakPolarHBondContact OE2-CE 3.46Å

Retrieved 362 of 362 residues in 926.8 ms (Link to these results)