A0A075B5G3_HUMAN Loading...

Adnectin

AlphaFold DB , UniProt , Accession A0A075B5G3, Species HUMAN (Homo sapiens, Human), Gene n/a, Length 99 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
1G40.3Very low62.4Low133 Ų13376.7 Ų76.7100%1.37146%0.461SS*.  091.9000000107.5
2V38.4Very low65.2Low132 Ų13276.3 Ų76.380%0.846%0.459SS*.  trans-89.2127.3179.6-175.10000106.1D4V2-D4 PolarHBondContact O-N 3.07Å
3S39.3Very low67.5Low50 Ų5074.5 Ų74.535%0.3546%0.457SS..  trans-84104.2-174.9169.50000110V5 R7S3-V5 PolarHBondContact O-N 3.36Å; S3-R7 PolarHBondContact OG-NE 3.06Å; S3-R7 VanDerWaalsContact OG-NE 3.08Å; S3-R7 PolarHBondContact OG-NH1 2.81Å; S3-R7 PolarHBondContact OG-NH2 2.89Å
4D48.7Very low69.5Low53 Ų5370.8 Ų70.828%0.28344%0.438SS..  trans-71.538.7173-82.7-46.9000113.8V2 S27 H87V2-D4 PolarHBondContact O-N 3.07Å; D4-S27 WeakPolarHBondContact OD1-CB 3.45Å; D4-S27 PolarHBondContact OD1-N 2.86Å; D4-S27 VanDerWaalsContact OD1-N 3.1Å; D4-S27 PolarHBondContact OD1-OG 2.86Å; D4-S27 PolarHBondContact OD2-OG 2.82Å; D4-H87 PolarHBondContact O-CE1 3Å; D4-H87 PolarHBondContact O-ND1 2.89Å
5V47.4Very low71.2Confident48 Ų4869.6 Ų69.629%0.29143%0.43SS..SBendtrans-111.4129.5174.8179.10000106.8S3 R7 I90S3-V5 PolarHBondContact O-N 3.36Å; V5-R7 HydrophobicContact CB-CG 3.9Å; V5-R7 HydrophobicContact CG1-CG 3.82Å; V5-R7 PolarHBondContact O-N 2.86Å; V5-I90 HydrophobicContact CG1-CD1 3.98Å; V5-I90 HydrophobicContact CG1-CG1 4.31Å
6P52.8Low72.8Confident5 Ų567.2 Ų67.23%0.03242%0.416CS..  trans-6572.9171.3-8.414.3000111.6D8 W23 P24 I90P6-D8 PolarHBondContact O-N 3.05Å; P6-W23 HydrophobicContact CB-CB 4.03Å; P6-W23 HydrophobicContact CB-CG 4.43Å; P6-P24 HydrophobicContact CB-CG 4.36Å; P6-P24 WeakPolarHBondContact CB-O 3.33Å; P6-I90 HydrophobicContact CB-CD1 3.6Å; P6-I90 VanDerWaalsContact CD-CD1 3.48Å; P6-I90 HydrophobicContact CG-CD1 3.62Å; P6-I90 WeakPolarHBondContact O-CD1 3.46Å; P6-I90 WeakPolarHBondContact O-CG1 3.36Å
7R60.6Low74.3Confident168 Ų16867.4 Ų67.463%0.63442%0.417SS*.  trans-71.7-10.5-172.2-73-178.2176.4167.21.1113.8S3 V5S3-R7 PolarHBondContact OG-NE 3.06Å; S3-R7 VanDerWaalsContact OG-NE 3.08Å; S3-R7 PolarHBondContact OG-NH1 2.81Å; S3-R7 PolarHBondContact OG-NH2 2.89Å; V5-R7 HydrophobicContact CB-CG 3.9Å; V5-R7 HydrophobicContact CG1-CG 3.82Å; V5-R7 PolarHBondContact O-N 2.86Å
8D80.8Confident75.6Confident108 Ų10865.2 Ų65.258%0.57841%0.405SS*.  trans-12148-168.1-47.7-47.6000110.5P6 E10 P24P6-D8 PolarHBondContact O-N 3.05Å; D8-E10 PolarHBondContact O-N 3.41Å; D8-P24 HydrophobicContact CB-CG 4.12Å
9L89.4Confident76.7Confident13 Ų1361.8 Ų61.87%0.06838%0.384CS..  trans-65.8122.1168.7175.660.5000108.6I21 S22 W23 V73 I90 I92L9-I21 HydrophobicContact CD1-CB 4.23Å; L9-I21 HydrophobicContact CD1-CD1 4.41Å; L9-S22 WeakPolarHBondContact CA-O 3.49Å; L9-S22 WeakPolarHBondContact CD1-O 3.38Å; L9-W23 HydrophobicContact CD1-CB 4.23Å; L9-W23 HydrophobicContact CD1-CE3 4.17Å; L9-V73 HydrophobicContact CD1-CG2 3.74Å; L9-V73 HydrophobicContact CD2-CB 4.4Å; L9-V73 HydrophobicContact CD2-CG2 3.78Å; L9-V73 HydrophobicContact CG-CG2 4.39Å; L9-I90 HydrophobicContact CB-CB 4.38Å; L9-I90 HydrophobicContact CB-CG2 3.53Å; L9-I90 HydrophobicContact CD2-CG2 4.18Å; L9-I90 WeakPolarHBondContact CD2-O 3.42Å; L9-I92 HydrophobicContact CB-CG2 4.23Å; L9-I92 HydrophobicContact CD2-CD1 4.38Å; L9-I92 HydrophobicContact CD2-CG1 3.89Å; L9-I92 HydrophobicContact CD2-CG2 4.17Å; L9-I92 HydrophobicContact CG-CD1 4Å; L9-I92 HydrophobicContact CG-CG1 4.03Å; L9-I92 HydrophobicContact CG-CG2 4.07Å; L9-I92 WeakPolarHBondContact O-CG2 3.48Å
10E93.9Very high77.8Confident105 Ų10561.8 Ų61.849%0.49138%0.38SS..EExtended strand (participates in β ladder)trans-140.9159.8-17861176.1-174.500112.3D8 V12 I21 S22D8-E10 PolarHBondContact O-N 3.41Å; E10-V12 HydrophobicContact CG-CG1 3.8Å; E10-V12 WeakPolarHBondContact OE1-CG1 3.25Å; E10-I21 CarbonylContact O-C 3.49Å; E10-I21 VanDerWaalsContact O-CA 3.22Å; E10-I21 WeakPolarHBondContact O-CA 3.42Å; E10-S22 PolarHBondContact N-O 3.32Å; E10-S22 PolarHBondContact O-N 3.36Å
11V95.2Very high78.7Confident29 Ų2958.8 Ų58.818%0.17636%0.362CS..EExtended strand (participates in β ladder)trans-94.8118.7166.2176.20000107.7A13 A14 L19 L20 I21 I92 Y94V11-A13 WeakPolarHBondContact CG1-O 3.42Å; V11-A14 HydrophobicContact CG1-CB 4.38Å; V11-L19 HydrophobicContact CG1-CB 4.5Å; V11-L19 HydrophobicContact CG1-CD2 4Å; V11-L20 WeakPolarHBondContact CA-O 3.38Å; V11-I21 HydrophobicContact CG2-CG2 3.97Å; V11-I92 HydrophobicContact CG2-CD1 3.85Å; V11-Y94 HydrophobicContact CB-CD2 3.77Å; V11-Y94 HydrophobicContact CB-CE2 3.71Å; V11-Y94 HydrophobicContact CB-CG 4.29Å; V11-Y94 HydrophobicContact CG1-CD1 4.5Å; V11-Y94 HydrophobicContact CG1-CD2 4.24Å; V11-Y94 HydrophobicContact CG1-CE1 4.16Å; V11-Y94 HydrophobicContact CG1-CE2 3.86Å; V11-Y94 HydrophobicContact CG2-CD1 4.2Å; V11-Y94 HydrophobicContact CG2-CD2 3.5Å; V11-Y94 HydrophobicContact CG2-CE2 3.98Å; V11-Y94 HydrophobicContact CG2-CG 3.62Å
12V95.6Very high81.2Confident72 Ų7253.8 Ų53.844%0.43631%0.306SS..EExtended strand (participates in β ladder)trans-100.1-18.6-178.3-61.10000113E10 L20E10-V12 HydrophobicContact CG-CG1 3.8Å; E10-V12 WeakPolarHBondContact OE1-CG1 3.25Å; V12-L20 HydrophobicContact CG2-CB 4.06Å; V12-L20 HydrophobicContact CG2-CD2 3.63Å; V12-L20 HydrophobicContact CG2-CG 3.51Å; V12-L20 WeakPolarHBondContact CG2-O 3.22Å; V12-L20 PolarHBondContact N-O 2.77Å
13A94.7Very high83.7Confident52 Ų5247.7 Ų47.743%0.4327%0.269SS..EExtended strand (participates in β ladder)trans-152.8148.7169.200000110.5V11 L20V11-A13 WeakPolarHBondContact CG1-O 3.42Å; A13-L20 HydrophobicContact CB-CB 3.99Å; A13-L20 HydrophobicContact CB-CD2 4.31Å; A13-L20 PolarHBondContact N-O 3.17Å; A13-L20 PolarHBondContact O-N 3.28Å
14A95.3Very high85.7Confident23 Ų2347.6 Ų47.619%0.1927%0.267CS..EExtended strand (participates in β ladder)trans-135.8153.8178.400000110.6V11 S18 L19 Y94 E97V11-A14 HydrophobicContact CG1-CB 4.38Å; A14-S18 WeakPolarHBondContact CA-O 3.2Å; A14-L19 HydrophobicContact CB-CD2 3.64Å; A14-Y94 HydrophobicContact CB-CE1 3.93Å; A14-E97 HydrophobicContact CB-CG 4.35Å
15T95.9Very high86.9Confident53 Ų5348.3 Ų48.333%0.32528%0.275SS..EExtended strand (participates in β ladder)trans-130.5175.9160.275.50000107.3T17 S18T15-T17 PolarHBondContact O-N 3.03Å; T15-T17 PolarHBondContact OG1-N 3.07Å; T15-S18 WeakPolarHBondContact CG2-OG 3.4Å; T15-S18 PolarHBondContact N-O 3.2Å; T15-S18 PolarHBondContact OG1-N 2.61Å; T15-S18 PolarHBondContact OG1-OG 3.19Å
16P97.3Very high87.9Confident31 Ų3147.2 Ų47.220%0.20127%0.268CS..THydrogen-bonded Turntrans-58.1-22.4173.4-27.536.5000113.9K64 P65 E97P16-K64 CarbonylContact O-C 3.53Å; P16-P65 HydrophobicContact CB-CB 3.96Å; P16-P65 HydrophobicContact CB-CG 3.85Å; P16-P65 WeakPolarHBondContact O-CA 3.29Å; P16-E97 WeakPolarHBondContact CA-O 3.05Å; P16-E97 HydrophobicContact CB-CB 4.48Å; P16-E97 HydrophobicContact CG-CB 4.04Å
17T97.2Very high88.5Confident70 Ų7050.5 Ų50.543%0.42929%0.292SS..THydrogen-bonded Turntrans-127.45.4-173.363.30000114.8T15 S61 G62 L63 P65T15-T17 PolarHBondContact O-N 3.03Å; T15-T17 PolarHBondContact OG1-N 3.07Å; T17-S61 CarbonylContact O-C 3.54Å; T17-G62 PolarHBondContact O-N 3.26Å; T17-L63 WeakPolarHBondContact CA-O 3.45Å; T17-L63 WeakPolarHBondContact CB-O 3.4Å; T17-L63 WeakPolarHBondContact CG2-O 3.47Å; T17-L63 PolarHBondContact O-N 2.75Å; T17-P65 HydrophobicContact CG2-CG 4.14Å
18S97.4Very high88.6Confident28 Ų2849.9 Ų49.920%0.19630%0.296CS..EExtended strand (participates in β ladder)trans-151.5154.2179.869.20000113.5A14 T15 I60A14-S18 WeakPolarHBondContact CA-O 3.2Å; T15-S18 WeakPolarHBondContact CG2-OG 3.4Å; T15-S18 PolarHBondContact N-O 3.2Å; T15-S18 PolarHBondContact OG1-N 2.61Å; T15-S18 PolarHBondContact OG1-OG 3.19Å; S18-I60 CarbonylContact C-O 3.53Å; S18-I60 WeakPolarHBondContact CA-O 3.36Å; S18-I60 VanDerWaalsContact CB-O 3.28Å; S18-I60 WeakPolarHBondContact CB-O 3.43Å
19L97.8Very high87.8Confident1 Ų146.1 Ų46.11%0.00528%0.282CS..EExtended strand (participates in β ladder)trans-130.9134175.2-59.7174.4000109.7V11 A14 T59 I60 L63 I71 Y94 T96V11-L19 HydrophobicContact CG1-CB 4.5Å; V11-L19 HydrophobicContact CG1-CD2 4Å; A14-L19 HydrophobicContact CB-CD2 3.64Å; L19-T59 CarbonylContact O-C 3.57Å; L19-T59 WeakPolarHBondContact O-CA 2.95Å; L19-I60 PolarHBondContact N-O 3.13Å; L19-I60 PolarHBondContact O-N 3.01Å; L19-L63 HydrophobicContact CB-CD1 4.35Å; L19-L63 HydrophobicContact CD1-CD1 3.69Å; L19-L63 HydrophobicContact CG-CD1 3.61Å; L19-I71 HydrophobicContact CD1-CD1 3.65Å; L19-Y94 HydrophobicContact CD1-CD1 3.88Å; L19-Y94 HydrophobicContact CD1-CG 4.44Å; L19-Y94 HydrophobicContact CD2-CD1 3.44Å; L19-Y94 VanDerWaalsContact CD2-CD1 3.44Å; L19-Y94 HydrophobicContact CD2-CE1 3.4Å; L19-Y94 HydrophobicContact CD2-CG 4.46Å; L19-Y94 HydrophobicContact CG-CD1 4.33Å; L19-T96 HydrophobicContact CD2-CG2 4.37Å; L19-T96 HydrophobicContact CG-CG2 4.46Å
20L97.4Very high86.4Confident61 Ų6155 Ų5532%0.31932%0.316SS..EExtended strand (participates in β ladder)trans-97.4114164.2-179.461.8000107.9V11 V12 A13V11-L20 WeakPolarHBondContact CA-O 3.38Å; V12-L20 HydrophobicContact CG2-CB 4.06Å; V12-L20 HydrophobicContact CG2-CD2 3.63Å; V12-L20 HydrophobicContact CG2-CG 3.51Å; V12-L20 WeakPolarHBondContact CG2-O 3.22Å; V12-L20 PolarHBondContact N-O 2.77Å; A13-L20 HydrophobicContact CB-CB 3.99Å; A13-L20 HydrophobicContact CB-CD2 4.31Å; A13-L20 PolarHBondContact N-O 3.17Å; A13-L20 PolarHBondContact O-N 3.28Å
21I96.8Very high85.7Confident0 Ų050.4 Ų50.40%030%0.297CS..EExtended strand (participates in β ladder)trans-103.1148.6177.953.1162.2000111.1L9 E10 V11 W23 I35 T57 A58 I60 I71 V73L9-I21 HydrophobicContact CD1-CB 4.23Å; L9-I21 HydrophobicContact CD1-CD1 4.41Å; E10-I21 CarbonylContact O-C 3.49Å; E10-I21 VanDerWaalsContact O-CA 3.22Å; E10-I21 WeakPolarHBondContact O-CA 3.42Å; V11-I21 HydrophobicContact CG2-CG2 3.97Å; I21-W23 HydrophobicContact CD1-CE3 4.24Å; I21-W23 HydrophobicContact CD1-CZ3 3.73Å; I21-W23 HydrophobicContact CG1-CE3 4.48Å; I21-W23 HydrophobicContact CG1-CZ3 3.95Å; I21-I35 HydrophobicContact CD1-CG1 4.41Å; I21-I35 HydrophobicContact CD1-CG2 4.04Å; I21-T57 WeakPolarHBondContact O-CA 3.2Å; I21-A58 HydrophobicContact CD1-CB 4.21Å; I21-A58 HydrophobicContact CG1-CB 4.02Å; I21-A58 WeakPolarHBondContact CG1-O 3.35Å; I21-A58 PolarHBondContact N-O 3.02Å; I21-A58 PolarHBondContact O-N 2.89Å; I21-I60 HydrophobicContact CD1-CD1 4.19Å; I21-I71 HydrophobicContact CD1-CG2 4.07Å; I21-I71 HydrophobicContact CG2-CD1 4.16Å; I21-V73 HydrophobicContact CD1-CG2 4.38Å
22S94.2Very high85.2Confident28 Ų2853.1 Ų53.120%0.19630%0.304CS..EExtended strand (participates in β ladder)trans-133.2147.8173.6-165.50000111.7L9 E10 G56L9-S22 WeakPolarHBondContact CA-O 3.49Å; L9-S22 WeakPolarHBondContact CD1-O 3.38Å; E10-S22 PolarHBondContact N-O 3.32Å; E10-S22 PolarHBondContact O-N 3.36Å; S22-G56 CarbonylContact C-O 3.46Å; S22-G56 WeakPolarHBondContact CA-O 3.22Å; S22-G56 PolarHBondContact OG-O 2.92Å
23W90.1Very high84.9Confident4 Ų450.1 Ų50.12%0.01529%0.285CS..  trans-147.7151.6173.161.892.4000109.6P6 L9 I21 P25 Y33 I35 V51 G56 A58 V73P6-W23 HydrophobicContact CB-CB 4.03Å; P6-W23 HydrophobicContact CB-CG 4.43Å; L9-W23 HydrophobicContact CD1-CB 4.23Å; L9-W23 HydrophobicContact CD1-CE3 4.17Å; I21-W23 HydrophobicContact CD1-CE3 4.24Å; I21-W23 HydrophobicContact CD1-CZ3 3.73Å; I21-W23 HydrophobicContact CG1-CE3 4.48Å; I21-W23 HydrophobicContact CG1-CZ3 3.95Å; W23-P25 WeakPolarHBondContact O-CD 3.48Å; W23-Y33 AromaticContact CD1-CE1 3.89Å; W23-Y33 HydrophobicContact CZ2-CD1 4.3Å; W23-Y33 AromaticContact CZ2-CD2 3.88Å; W23-Y33 HydrophobicContact CZ2-CD2 3.88Å; W23-Y33 HydrophobicContact CZ2-CE2 4.35Å; W23-Y33 AromaticContact CZ2-CG 3.83Å; W23-Y33 HydrophobicContact CZ2-CG 3.83Å; W23-Y33 AromaticContact NE1-CD1 3.39Å; W23-Y33 AromaticContact NE1-CE1 3.19Å; W23-Y33 AromaticContact NE1-CE2 3.84Å; W23-Y33 AromaticContact NE1-CG 3.78Å; W23-Y33 AromaticContact NE1-CZ 3.4Å; W23-I35 HydrophobicContact CH2-CD1 4.2Å; W23-I35 HydrophobicContact CH2-CG1 4.33Å; W23-V51 HydrophobicContact CH2-CB 4.47Å; W23-V51 HydrophobicContact CH2-CG1 4.29Å; W23-V51 HydrophobicContact CH2-CG2 4.27Å; W23-V51 HydrophobicContact CZ2-CB 4.46Å; W23-V51 HydrophobicContact CZ2-CG1 4.16Å; W23-G56 PolarHBondContact N-O 2.87Å; W23-G56 VanDerWaalsContact O-CA 3.29Å; W23-G56 WeakPolarHBondContact O-CA 3.49Å; W23-A58 HydrophobicContact CH2-CB 3.83Å; W23-A58 HydrophobicContact CZ3-CB 3.92Å; W23-V73 HydrophobicContact CD2-CG1 4.13Å; W23-V73 HydrophobicContact CD2-CG2 4.38Å; W23-V73 HydrophobicContact CE3-CG2 4.14Å; W23-V73 HydrophobicContact CG-CG1 4.34Å; W23-V73 HydrophobicContact CZ3-CG2 4.5Å
24P82.1Confident84.7Confident47 Ų4751.9 Ų51.931%0.30528%0.281SS..PPolyproline II helixtrans-71.2124.9176.914.5-12.8000110.1P6 D8P6-P24 HydrophobicContact CB-CG 4.36Å; P6-P24 WeakPolarHBondContact CB-O 3.33Å; D8-P24 HydrophobicContact CB-CG 4.12Å
25P72.3Confident84.7Confident69 Ų6950.8 Ų50.845%0.44827%0.272SS..PPolyproline II helixtrans-66.3145.3173.728.5-33.2000110W23 Y33W23-P25 WeakPolarHBondContact O-CD 3.48Å; P25-Y33 VanDerWaalsContact CA-OH 3.29Å; P25-Y33 WeakPolarHBondContact CA-OH 3.28Å; P25-Y33 VanDerWaalsContact CB-OH 3.31Å; P25-Y33 WeakPolarHBondContact CB-OH 3.1Å
26P68.3Low84.7Confident24 Ų2448.9 Ų48.916%0.15626%0.26CS..PPolyproline II helixtrans-65.2149.1175.327.6-27000109.8H28 Y33P26-H28 PolarHBondContact O-N 3.46Å; P26-Y33 WeakPolarHBondContact CD-OH 3.29Å
27S66.2Low84.6Confident75 Ų7548.5 Ų48.552%0.52426%0.255SS..THydrogen-bonded Turntrans-65-26.5-175.260.90000113.2D4D4-S27 WeakPolarHBondContact OD1-CB 3.45Å; D4-S27 PolarHBondContact OD1-N 2.86Å; D4-S27 VanDerWaalsContact OD1-N 3.1Å; D4-S27 PolarHBondContact OD1-OG 2.86Å; D4-S27 PolarHBondContact OD2-OG 2.82Å
28H63.7Low84.6Confident155 Ų15545.7 Ų45.772%0.71824%0.239SC*.THydrogen-bonded Turntrans-137.855.9-176.4-64-72.6000112.3P26P26-H28 PolarHBondContact O-N 3.46Å
29G62.3Low84.5Confident28 Ų2846.7 Ų46.729%0.28924%0.241SC..  trans-108.4108.9177.200000113.3G31G29-G31 PolarHBondContact O-N 2.77Å
30Y61.3Low84.2Confident201 Ų20149.1 Ų49.179%0.78826%0.256SS*.  trans-80.1-1.6165.8-65.6-79.2000112.7Y78Y30-Y78 WeakPolarHBondContact O-CD2 3.01Å; Y30-Y78 WeakPolarHBondContact O-CE2 2.91Å
31G78.1Confident83.6Confident8 Ų850.2 Ų50.28%0.08228%0.282CS..SBendtrans-86.1179-174.300000115.6G29 P53 V76G29-G31 PolarHBondContact O-N 2.77Å; G31-P53 WeakPolarHBondContact O-CA 3.21Å; G31-P53 WeakPolarHBondContact O-CB 3.47Å; G31-P53 WeakPolarHBondContact O-CG 3.47Å; G31-V76 CarbonylContact C-O 3.47Å; G31-V76 WeakPolarHBondContact CA-O 3.39Å
32Y86.1Confident82.7Confident85 Ų8552 Ų5233%0.33330%0.3SS..EExtended strand (participates in β ladder)trans-106.2168.117565-87.9000110.9T50 V51 V76Y32-T50 HydrophobicContact CD2-CG2 3.9Å; Y32-T50 HydrophobicContact CE2-CG2 3.88Å; Y32-V51 WeakPolarHBondContact CB-O 3.29Å; Y32-V76 HydrophobicContact CD1-CB 4.26Å; Y32-V76 HydrophobicContact CD1-CG1 4.38Å; Y32-V76 HydrophobicContact CD2-CB 4.12Å; Y32-V76 HydrophobicContact CD2-CG2 4.3Å; Y32-V76 HydrophobicContact CE1-CB 3.96Å; Y32-V76 HydrophobicContact CE1-CG1 3.67Å; Y32-V76 HydrophobicContact CE2-CB 3.82Å; Y32-V76 HydrophobicContact CE2-CG1 4.12Å; Y32-V76 HydrophobicContact CE2-CG2 3.81Å; Y32-V76 HydrophobicContact CG-CB 4.34Å; Y32-V76 PolarHBondContact N-O 2.98Å; Y32-V76 WeakPolarHBondContact O-CA 3.45Å; Y32-V76 WeakPolarHBondContact O-CB 3.5Å; Y32-V76 PolarHBondContact O-N 3.19Å
33Y88.1Confident81.8Confident9 Ų959 Ų594%0.03534%0.335CS..EExtended strand (participates in β ladder)trans-105142.3170.9-51.1-90.2000110.3W23 P25 P26 T50 V51 K55 V73 Y74 A75W23-Y33 AromaticContact CD1-CE1 3.89Å; W23-Y33 HydrophobicContact CZ2-CD1 4.3Å; W23-Y33 AromaticContact CZ2-CD2 3.88Å; W23-Y33 HydrophobicContact CZ2-CD2 3.88Å; W23-Y33 HydrophobicContact CZ2-CE2 4.35Å; W23-Y33 AromaticContact CZ2-CG 3.83Å; W23-Y33 HydrophobicContact CZ2-CG 3.83Å; W23-Y33 AromaticContact NE1-CD1 3.39Å; W23-Y33 AromaticContact NE1-CE1 3.19Å; W23-Y33 AromaticContact NE1-CE2 3.84Å; W23-Y33 AromaticContact NE1-CG 3.78Å; W23-Y33 AromaticContact NE1-CZ 3.4Å; P25-Y33 VanDerWaalsContact CA-OH 3.29Å; P25-Y33 WeakPolarHBondContact CA-OH 3.28Å; P25-Y33 VanDerWaalsContact CB-OH 3.31Å; P25-Y33 WeakPolarHBondContact CB-OH 3.1Å; P26-Y33 WeakPolarHBondContact CD-OH 3.29Å; Y33-T50 CarbonylContact O-C 3.5Å; Y33-T50 WeakPolarHBondContact O-CA 3.43Å; Y33-V51 HydrophobicContact CD2-CB 4.35Å; Y33-V51 HydrophobicContact CD2-CG1 4.18Å; Y33-V51 PolarHBondContact N-O 2.9Å; Y33-V51 PolarHBondContact O-N 3.24Å; Y33-K55 WeakPolarHBondContact CE2-O 3.34Å; Y33-V73 HydrophobicContact CD1-CG1 4.08Å; Y33-Y74 CarbonylContact C-O 3.52Å; Y33-Y74 VanDerWaalsContact CA-O 3.26Å; Y33-Y74 WeakPolarHBondContact CA-O 3.16Å; Y33-A75 HydrophobicContact CD1-CB 4.38Å; Y33-A75 HydrophobicContact CE1-CB 4.41Å
34R91.4Very high81.2Confident89 Ų8961.2 Ų61.234%0.33635%0.351SS..EExtended strand (participates in β ladder)trans-108.4126.7165.3-177179.768.1172.5-1.1108.2T36 E48 Y74 V76R34-T36 HydrophobicContact CG-CG2 4.48Å; R34-E48 WeakPolarHBondContact CD-OE2 3.48Å; R34-E48 IonicContact NE-OE2 4Å; R34-E48 IonicContact NH1-OE2 3.79Å; R34-Y74 PolarHBondContact N-O 3.34Å; R34-Y74 WeakPolarHBondContact O-CD2 3.29Å; R34-Y74 PolarHBondContact O-N 2.86Å; R34-V76 HydrophobicContact CB-CG2 4.3Å
35I94.5Very high81.2Confident0 Ų064.4 Ų64.40%037%0.372CS..EExtended strand (participates in β ladder)trans-109.3129.1178.4-61.475.7000106.6I21 W23 E48 F49 V51 I60 I71 T72 V73I21-I35 HydrophobicContact CD1-CG1 4.41Å; I21-I35 HydrophobicContact CD1-CG2 4.04Å; W23-I35 HydrophobicContact CH2-CD1 4.2Å; W23-I35 HydrophobicContact CH2-CG1 4.33Å; I35-E48 CarbonylContact O-C 3.59Å; I35-E48 WeakPolarHBondContact O-CA 3.21Å; I35-E48 WeakPolarHBondContact O-CB 3.39Å; I35-F49 HydrophobicContact CB-CD1 4.28Å; I35-F49 HydrophobicContact CB-CD2 4.45Å; I35-F49 HydrophobicContact CB-CE1 3.83Å; I35-F49 HydrophobicContact CB-CE2 4Å; I35-F49 HydrophobicContact CB-CZ 3.67Å; I35-F49 HydrophobicContact CD1-CD2 4.34Å; I35-F49 HydrophobicContact CD1-CE2 3.94Å; I35-F49 HydrophobicContact CD1-CZ 4.42Å; I35-F49 HydrophobicContact CG1-CE2 4.06Å; I35-F49 HydrophobicContact CG1-CZ 4.03Å; I35-F49 HydrophobicContact CG2-CE1 3.73Å; I35-F49 HydrophobicContact CG2-CZ 3.72Å; I35-F49 PolarHBondContact N-O 2.71Å; I35-F49 PolarHBondContact O-N 3.28Å; I35-V51 HydrophobicContact CD1-CB 3.83Å; I35-V51 HydrophobicContact CD1-CG2 3.37Å; I35-V51 HydrophobicContact CG1-CG2 4.5Å; I35-I60 HydrophobicContact CG2-CD1 4.39Å; I35-I71 HydrophobicContact CG2-CG2 4.26Å; I35-T72 WeakPolarHBondContact CA-O 3.31Å; I35-V73 HydrophobicContact CG1-CG2 4.26Å
36T95.6Very high82Confident13 Ų1365.8 Ų65.88%0.0838%0.379CS..EExtended strand (participates in β ladder)trans-119.1142.1173.468.80000109.7R34 V46 Q47 E48 I71 T72 Y74R34-T36 HydrophobicContact CG-CG2 4.48Å; T36-V46 HydrophobicContact CG2-CG1 4.5Å; T36-Q47 CarbonylContact C-O 3.57Å; T36-Q47 VanDerWaalsContact CA-O 3.22Å; T36-Q47 WeakPolarHBondContact CA-O 3.36Å; T36-E48 HydrophobicContact CG2-CB 3.96Å; T36-I71 CarbonylContact O-C 3.57Å; T36-I71 WeakPolarHBondContact O-CA 3.3Å; T36-T72 PolarHBondContact N-O 3.45Å; T36-T72 PolarHBondContact O-N 2.84Å; T36-T72 WeakPolarHBondContact OG1-CB 3.22Å; T36-Y74 HydrophobicContact CG2-CD2 4.14Å; T36-Y74 HydrophobicContact CG2-CE2 3.6Å
37Y96.2Very high83.3Confident24 Ų2469.8 Ų69.89%0.09440%0.396CS..EExtended strand (participates in β ladder)trans-145.2143.7177.964.2-79.2000111.9Q47 F49 I60 L63 T70Y37-Q47 HydrophobicContact CD1-CB 4.06Å; Y37-Q47 HydrophobicContact CD2-CB 4.26Å; Y37-Q47 HydrophobicContact CE1-CB 3.51Å; Y37-Q47 HydrophobicContact CE2-CB 3.77Å; Y37-Q47 HydrophobicContact CE2-CG 4.26Å; Y37-Q47 HydrophobicContact CG-CB 4.41Å; Y37-Q47 PolarHBondContact N-O 3.32Å; Y37-Q47 PolarHBondContact O-N 2.83Å; Y37-Q47 PolarHBondContact OH-OE1 3.08Å; Y37-F49 HydrophobicContact CD1-CD1 4.35Å; Y37-F49 HydrophobicContact CD1-CE1 4.1Å; Y37-F49 AromaticContact CE1-CD1 3.89Å; Y37-F49 HydrophobicContact CE1-CD1 3.89Å; Y37-F49 AromaticContact CE1-CE1 3.92Å; Y37-F49 HydrophobicContact CE1-CE1 3.92Å; Y37-I60 HydrophobicContact CD1-CG2 4.01Å; Y37-I60 HydrophobicContact CD2-CG2 3.66Å; Y37-I60 HydrophobicContact CE1-CG2 4.02Å; Y37-I60 HydrophobicContact CE2-CG2 3.65Å; Y37-I60 HydrophobicContact CG-CD1 4.38Å; Y37-I60 HydrophobicContact CG-CG2 3.83Å; Y37-L63 HydrophobicContact CD2-CD2 3.88Å; Y37-L63 HydrophobicContact CE2-CD2 3.89Å; Y37-T70 VanDerWaalsContact CA-O 3.3Å; Y37-T70 WeakPolarHBondContact CA-O 3.37Å
38G95.8Very high84.7Confident10 Ų1072 Ų7210%0.10340%0.398CS..EExtended strand (participates in β ladder)trans-162.4159.7178.900000111.6T40 Y69 T70G38-T40 PolarHBondContact O-N 2.93Å; G38-Y69 VanDerWaalsContact C-CD1 3.5Å; G38-Y69 CarbonylContact O-C 3.53Å; G38-Y69 VanDerWaalsContact O-CA 3.29Å; G38-Y69 WeakPolarHBondContact O-CA 3.47Å; G38-Y69 WeakPolarHBondContact O-CD1 3.42Å; G38-T70 PolarHBondContact N-O 2.86Å; G38-T70 VanDerWaalsContact N-O 3.13Å; G38-T70 PolarHBondContact O-N 2.84Å
39E95.3Very high86.3Confident49 Ų4967.5 Ų67.523%0.22938%0.376CS..EExtended strand (participates in β ladder)trans-60.9127.7177-61.1177-178.800109.8G41 G42 S44 K64 V67 D68 Y69E39-G41 PolarHBondContact O-N 3.19Å; E39-G42 PolarHBondContact O-N 2.85Å; E39-S44 PolarHBondContact OE2-OG 2.97Å; E39-K64 WeakPolarHBondContact OE1-CD 3.02Å; E39-K64 WeakPolarHBondContact OE1-CE 3.46Å; E39-K64 IonicContact OE1-NZ 2.71Å; E39-K64 PolarHBondContact OE1-NZ 2.89Å; E39-V67 HydrophobicContact CB-CG1 4.31Å; E39-V67 HydrophobicContact CG-CG1 3.84Å; E39-D68 CarbonylContact C-O 3.55Å; E39-D68 WeakPolarHBondContact CA-O 3.3Å; E39-Y69 HydrophobicContact CG-CD1 4.45Å; E39-Y69 HydrophobicContact CG-CE1 3.83Å
40T92.9Very high87.7Confident52 Ų5270.5 Ų70.532%0.31939%0.389SS..THydrogen-bonded Turntrans-63.7123-175-55.30000109.8G38 G42 D68 Y69 T70G38-T40 PolarHBondContact O-N 2.93Å; T40-G42 PolarHBondContact O-N 2.84Å; T40-G42 VanDerWaalsContact O-N 3.17Å; T40-D68 PolarHBondContact N-O 3.06Å; T40-D68 PolarHBondContact OG1-O 2.9Å; T40-Y69 PolarHBondContact OG1-N 2.82Å; T40-T70 PolarHBondContact OG1-N 3.05Å; T40-T70 VanDerWaalsContact OG1-N 3.13Å; T40-T70 PolarHBondContact OG1-OG1 2.75Å
41G85.5Confident89.2Confident85 Ų8561.5 Ų61.588%0.87636%0.355SS*.THydrogen-bonded Turntrans68.86-17800000114.5E39E39-G41 PolarHBondContact O-N 3.19Å
42G77.6Confident89.7Confident36 Ų3664.4 Ų64.437%0.37137%0.373SS..  trans-82.4158.3174.600000112.5E39 T40 S44E39-G42 PolarHBondContact O-N 2.85Å; T40-G42 PolarHBondContact O-N 2.84Å; T40-G42 VanDerWaalsContact O-N 3.17Å; G42-S44 VanDerWaalsContact C-N 3.28Å
43N75.1Confident89.5Confident175 Ų17563.5 Ų63.594%0.93638%0.377SS*.  trans-88.64.8170-70-26.2000112.6
44S77.8Confident89.1Confident51 Ų5166.1 Ų66.136%0.35741%0.407SS..SBendtrans-62.5141.9179.6-62.80000110.4E39 G42 V46E39-S44 PolarHBondContact OE2-OG 2.97Å; G42-S44 VanDerWaalsContact C-N 3.28Å; S44-V46 PolarHBondContact O-N 3.13Å
45P80.7Confident88.8Confident115 Ų11567.5 Ų67.575%0.74742%0.415SS*.PPolyproline II helixtrans-55.9132.7174.3-23.532.6000111.1Q47P45-Q47 PolarHBondContact O-N 3.04Å
46V90.1Very high88.5Confident98 Ų9868.1 Ų68.159%0.59442%0.422SS*.PPolyproline II helixtrans-68.7128.9171.3179.90000108.1T36 S44T36-V46 HydrophobicContact CG2-CG1 4.5Å; S44-V46 PolarHBondContact O-N 3.13Å
47Q95.2Very high88.4Confident108 Ų10871 Ų7151%0.50544%0.439SS..EExtended strand (participates in β ladder)trans-91.8152174.4-64.2-174.454.700109.7T36 Y37 P45T36-Q47 CarbonylContact C-O 3.57Å; T36-Q47 VanDerWaalsContact CA-O 3.22Å; T36-Q47 WeakPolarHBondContact CA-O 3.36Å; Y37-Q47 HydrophobicContact CD1-CB 4.06Å; Y37-Q47 HydrophobicContact CD2-CB 4.26Å; Y37-Q47 HydrophobicContact CE1-CB 3.51Å; Y37-Q47 HydrophobicContact CE2-CB 3.77Å; Y37-Q47 HydrophobicContact CE2-CG 4.26Å; Y37-Q47 HydrophobicContact CG-CB 4.41Å; Y37-Q47 PolarHBondContact N-O 3.32Å; Y37-Q47 PolarHBondContact O-N 2.83Å; Y37-Q47 PolarHBondContact OH-OE1 3.08Å; P45-Q47 PolarHBondContact O-N 3.04Å
48E95.9Very high88.4Confident122 Ų12270.3 Ų70.357%0.5744%0.439SS*.EExtended strand (participates in β ladder)trans-143.5154.5178.968.3173.7-152.700113.5R34 I35 T36R34-E48 WeakPolarHBondContact CD-OE2 3.48Å; R34-E48 IonicContact NE-OE2 4Å; R34-E48 IonicContact NH1-OE2 3.79Å; I35-E48 CarbonylContact O-C 3.59Å; I35-E48 WeakPolarHBondContact O-CA 3.21Å; I35-E48 WeakPolarHBondContact O-CB 3.39Å; T36-E48 HydrophobicContact CG2-CB 3.96Å
49F96.2Very high88.5Confident59 Ų5973.7 Ų73.726%0.25946%0.458SS..EExtended strand (participates in β ladder)trans-152.3168.217063.5-84.9000110.6I35 Y37 V51 A58 I60I35-F49 HydrophobicContact CB-CD1 4.28Å; I35-F49 HydrophobicContact CB-CD2 4.45Å; I35-F49 HydrophobicContact CB-CE1 3.83Å; I35-F49 HydrophobicContact CB-CE2 4Å; I35-F49 HydrophobicContact CB-CZ 3.67Å; I35-F49 HydrophobicContact CD1-CD2 4.34Å; I35-F49 HydrophobicContact CD1-CE2 3.94Å; I35-F49 HydrophobicContact CD1-CZ 4.42Å; I35-F49 HydrophobicContact CG1-CE2 4.06Å; I35-F49 HydrophobicContact CG1-CZ 4.03Å; I35-F49 HydrophobicContact CG2-CE1 3.73Å; I35-F49 HydrophobicContact CG2-CZ 3.72Å; I35-F49 PolarHBondContact N-O 2.71Å; I35-F49 PolarHBondContact O-N 3.28Å; Y37-F49 HydrophobicContact CD1-CD1 4.35Å; Y37-F49 HydrophobicContact CD1-CE1 4.1Å; Y37-F49 AromaticContact CE1-CD1 3.89Å; Y37-F49 HydrophobicContact CE1-CD1 3.89Å; Y37-F49 AromaticContact CE1-CE1 3.92Å; Y37-F49 HydrophobicContact CE1-CE1 3.92Å; F49-V51 HydrophobicContact CD2-CG2 4.15Å; F49-V51 HydrophobicContact CE2-CG2 3.78Å; F49-A58 HydrophobicContact CE2-CB 3.81Å; F49-A58 HydrophobicContact CZ-CB 3.93Å; F49-I60 HydrophobicContact CE1-CG1 4.1Å; F49-I60 HydrophobicContact CZ-CG1 4.14Å
50T93.4Very high88.6Confident91 Ų9171.5 Ų71.556%0.55845%0.448SS*.EExtended strand (participates in β ladder)trans-111.1149.1179.358.20000112.4Y32 Y33Y32-T50 HydrophobicContact CD2-CG2 3.9Å; Y32-T50 HydrophobicContact CE2-CG2 3.88Å; Y33-T50 CarbonylContact O-C 3.5Å; Y33-T50 WeakPolarHBondContact O-CA 3.43Å
51V91.7Very high88.8Confident12 Ų1272.6 Ų72.67%0.07346%0.457CS..EExtended strand (participates in β ladder)trans-121131.8175170.10000108.7W23 Y32 Y33 I35 F49 K55 A58W23-V51 HydrophobicContact CH2-CB 4.47Å; W23-V51 HydrophobicContact CH2-CG1 4.29Å; W23-V51 HydrophobicContact CH2-CG2 4.27Å; W23-V51 HydrophobicContact CZ2-CB 4.46Å; W23-V51 HydrophobicContact CZ2-CG1 4.16Å; Y32-V51 WeakPolarHBondContact CB-O 3.29Å; Y33-V51 HydrophobicContact CD2-CB 4.35Å; Y33-V51 HydrophobicContact CD2-CG1 4.18Å; Y33-V51 PolarHBondContact N-O 2.9Å; Y33-V51 PolarHBondContact O-N 3.24Å; I35-V51 HydrophobicContact CD1-CB 3.83Å; I35-V51 HydrophobicContact CD1-CG2 3.37Å; I35-V51 HydrophobicContact CG1-CG2 4.5Å; F49-V51 HydrophobicContact CD2-CG2 4.15Å; F49-V51 HydrophobicContact CE2-CG2 3.78Å; V51-K55 HydrophobicContact CG1-CB 3.61Å; V51-K55 HydrophobicContact CG1-CD 4.26Å; V51-K55 HydrophobicContact CG1-CG 4.48Å; V51-A58 HydrophobicContact CG2-CB 3.92Å
52P88.4Confident89.3Confident70 Ų7071.9 Ų71.946%0.45545%0.45SS..  trans-57.1159.5179.2-26.534.1000113.9
53P82.8Confident90.2Very high65 Ų6570.6 Ų70.642%0.42244%0.435SS..THydrogen-bonded Turntrans-52150.8171.5-18.224.8000112.8G31 K55G31-P53 WeakPolarHBondContact O-CA 3.21Å; G31-P53 WeakPolarHBondContact O-CB 3.47Å; G31-P53 WeakPolarHBondContact O-CG 3.47Å; P53-K55 PolarHBondContact O-N 2.94Å
54G79.6Confident91.1Very high64 Ų6467.5 Ų67.566%0.6641%0.413SS*.THydrogen-bonded Turntrans74.5-1.6173.900000116
55K84.1Confident92Very high118 Ų11867.9 Ų67.951%0.51341%0.414SS..  trans-95.5139.2170.4-66.4-168.6176.9-172.40111Y33 V51 P53Y33-K55 WeakPolarHBondContact CE2-O 3.34Å; V51-K55 HydrophobicContact CG1-CB 3.61Å; V51-K55 HydrophobicContact CG1-CD 4.26Å; V51-K55 HydrophobicContact CG1-CG 4.48Å; P53-K55 PolarHBondContact O-N 2.94Å
56G88.4Confident92.7Very high14 Ų1463 Ų6314%0.14439%0.385CS..  trans-118.422.1176.600000113.1S22 W23S22-G56 CarbonylContact C-O 3.46Å; S22-G56 WeakPolarHBondContact CA-O 3.22Å; S22-G56 PolarHBondContact OG-O 2.92Å; W23-G56 PolarHBondContact N-O 2.87Å; W23-G56 VanDerWaalsContact O-CA 3.29Å; W23-G56 WeakPolarHBondContact O-CA 3.49Å
57T93.8Very high93Very high72 Ų7260.2 Ų60.244%0.44237%0.368SS..EExtended strand (participates in β ladder)trans-145.3152.2-179.757.10000111.9I21I21-T57 WeakPolarHBondContact O-CA 3.2Å
58A96Very high93Very high10 Ų1058.5 Ų58.58%0.08336%0.362CS..EExtended strand (participates in β ladder)trans-153.1153.1171.200000112.3I21 W23 F49 V51I21-A58 HydrophobicContact CD1-CB 4.21Å; I21-A58 HydrophobicContact CG1-CB 4.02Å; I21-A58 WeakPolarHBondContact CG1-O 3.35Å; I21-A58 PolarHBondContact N-O 3.02Å; I21-A58 PolarHBondContact O-N 2.89Å; W23-A58 HydrophobicContact CH2-CB 3.83Å; W23-A58 HydrophobicContact CZ3-CB 3.92Å; F49-A58 HydrophobicContact CE2-CB 3.81Å; F49-A58 HydrophobicContact CZ-CB 3.93Å; V51-A58 HydrophobicContact CG2-CB 3.92Å
59T97.8Very high93Very high82 Ų8253.3 Ų53.350%0.50334%0.338SS..EExtended strand (participates in β ladder)trans-104.5126.5171.9-54.70000109.7L19L19-T59 CarbonylContact O-C 3.57Å; L19-T59 WeakPolarHBondContact O-CA 2.95Å
60I97.9Very high92.9Very high3 Ų352.6 Ų52.62%0.01534%0.338CS..EExtended strand (participates in β ladder)trans-100.7126.1169.2-51177.4000106.7S18 L19 I21 I35 Y37 F49 L63 I71S18-I60 CarbonylContact C-O 3.53Å; S18-I60 WeakPolarHBondContact CA-O 3.36Å; S18-I60 VanDerWaalsContact CB-O 3.28Å; S18-I60 WeakPolarHBondContact CB-O 3.43Å; L19-I60 PolarHBondContact N-O 3.13Å; L19-I60 PolarHBondContact O-N 3.01Å; I21-I60 HydrophobicContact CD1-CD1 4.19Å; I35-I60 HydrophobicContact CG2-CD1 4.39Å; Y37-I60 HydrophobicContact CD1-CG2 4.01Å; Y37-I60 HydrophobicContact CD2-CG2 3.66Å; Y37-I60 HydrophobicContact CE1-CG2 4.02Å; Y37-I60 HydrophobicContact CE2-CG2 3.65Å; Y37-I60 HydrophobicContact CG-CD1 4.38Å; Y37-I60 HydrophobicContact CG-CG2 3.83Å; F49-I60 HydrophobicContact CE1-CG1 4.1Å; F49-I60 HydrophobicContact CZ-CG1 4.14Å; I60-L63 HydrophobicContact CB-CD1 4.45Å; I60-L63 HydrophobicContact CG2-CD1 4.08Å; I60-L63 HydrophobicContact CG2-CD2 3.75Å; I60-L63 HydrophobicContact CG2-CG 4.11Å; I60-I71 HydrophobicContact CD1-CD1 3.98Å; I60-I71 HydrophobicContact CD1-CG1 3.94Å; I60-I71 HydrophobicContact CD1-CG2 3.86Å
61S97.1Very high93Very high74 Ų7448.3 Ų48.352%0.51731%0.312SS..EExtended strand (participates in β ladder)trans-125.5164.8-175-60.90000111.2T17 L63T17-S61 CarbonylContact O-C 3.54Å; S61-L63 VanDerWaalsContact C-N 3.33Å
62G95.5Very high93.1Very high71 Ų7148.2 Ų48.273%0.73231%0.311SS*.SBendtrans74.226.1177.200000113.3T17T17-G62 PolarHBondContact O-N 3.26Å
63L96Very high93.2Very high8 Ų845 Ų454%0.04229%0.29CS..PPolyproline II helixtrans-79.4158.2176.5-56.6178.4000110.9T17 L19 Y37 I60 S61 Y69 T96T17-L63 WeakPolarHBondContact CA-O 3.45Å; T17-L63 WeakPolarHBondContact CB-O 3.4Å; T17-L63 WeakPolarHBondContact CG2-O 3.47Å; T17-L63 PolarHBondContact O-N 2.75Å; L19-L63 HydrophobicContact CB-CD1 4.35Å; L19-L63 HydrophobicContact CD1-CD1 3.69Å; L19-L63 HydrophobicContact CG-CD1 3.61Å; Y37-L63 HydrophobicContact CD2-CD2 3.88Å; Y37-L63 HydrophobicContact CE2-CD2 3.89Å; I60-L63 HydrophobicContact CB-CD1 4.45Å; I60-L63 HydrophobicContact CG2-CD1 4.08Å; I60-L63 HydrophobicContact CG2-CD2 3.75Å; I60-L63 HydrophobicContact CG2-CG 4.11Å; S61-L63 VanDerWaalsContact C-N 3.33Å; L63-Y69 HydrophobicContact CB-CE2 3.91Å; L63-Y69 HydrophobicContact CD2-CD1 4.03Å; L63-Y69 HydrophobicContact CD2-CD2 4.38Å; L63-Y69 HydrophobicContact CD2-CE1 3.68Å; L63-Y69 HydrophobicContact CD2-CE2 4.04Å; L63-Y69 HydrophobicContact CD2-CG 4.38Å; L63-Y69 HydrophobicContact CG-CE2 4.39Å; L63-T96 HydrophobicContact CB-CG2 3.93Å; L63-T96 HydrophobicContact CD1-CG2 3.82Å
64K95.4Very high93.4Very high111 Ų11145.3 Ų45.348%0.48328%0.283SS..PPolyproline II helixtrans-84.2136.6173.6-66.5175.9-175164.40110P16 E39 V67 Y69 T96P16-K64 CarbonylContact O-C 3.53Å; E39-K64 WeakPolarHBondContact OE1-CD 3.02Å; E39-K64 WeakPolarHBondContact OE1-CE 3.46Å; E39-K64 IonicContact OE1-NZ 2.71Å; E39-K64 PolarHBondContact OE1-NZ 2.89Å; K64-V67 HydrophobicContact CB-CB 4.18Å; K64-V67 HydrophobicContact CB-CG2 3.65Å; K64-V67 HydrophobicContact CD-CG2 4.43Å; K64-Y69 PolarHBondContact N-OH 2.88Å; K64-T96 PolarHBondContact O-OG1 2.83Å
65P97.1Very high93.6Very high59 Ų5943.5 Ų43.538%0.38326%0.263SS..THydrogen-bonded Turntrans-59.7142.8172.6-26.936.2000113.5P16 T17 V67 E97P16-P65 HydrophobicContact CB-CB 3.96Å; P16-P65 HydrophobicContact CB-CG 3.85Å; P16-P65 WeakPolarHBondContact O-CA 3.29Å; T17-P65 HydrophobicContact CG2-CG 4.14Å; P65-V67 PolarHBondContact O-N 2.7Å; P65-E97 CarbonylContact C-O 3.49Å; P65-E97 VanDerWaalsContact CA-O 3.25Å; P65-E97 WeakPolarHBondContact CA-O 3.17Å; P65-E97 WeakPolarHBondContact CB-O 3.09Å
66G95.1Very high93.3Very high13 Ų1339.9 Ų39.913%0.13425%0.25CC..THydrogen-bonded Turntrans66.417.2174.400000115.9R95 T96 E97G66-R95 PolarHBondContact O-NE 3.35Å; G66-R95 PolarHBondContact O-NH2 2.92Å; G66-T96 WeakPolarHBondContact CA-O 3.19Å; G66-T96 PolarHBondContact N-O 3.03Å; G66-T96 PolarHBondContact N-OG1 2.97Å; G66-T96 VanDerWaalsContact N-OG1 3.07Å; G66-E97 PolarHBondContact N-O 2.75Å
67V95Very high92.7Very high38 Ų3843.3 Ų43.323%0.2326%0.262CS..  trans-107.8137.8-1761750000110.9E39 K64 P65 Y69 R95 T96E39-V67 HydrophobicContact CB-CG1 4.31Å; E39-V67 HydrophobicContact CG-CG1 3.84Å; K64-V67 HydrophobicContact CB-CB 4.18Å; K64-V67 HydrophobicContact CB-CG2 3.65Å; K64-V67 HydrophobicContact CD-CG2 4.43Å; P65-V67 PolarHBondContact O-N 2.7Å; V67-Y69 HydrophobicContact CB-CD2 4.37Å; V67-Y69 HydrophobicContact CB-CE2 3.81Å; V67-Y69 HydrophobicContact CG1-CD2 4.15Å; V67-Y69 HydrophobicContact CG1-CE2 3.71Å; V67-Y69 WeakPolarHBondContact O-CD2 3.35Å; V67-R95 WeakPolarHBondContact O-CA 3.44Å; V67-T96 PolarHBondContact N-OG1 2.72Å; V67-T96 PolarHBondContact O-N 2.83Å; V67-T96 PolarHBondContact O-OG1 2.83Å
68D95.4Very high91.5Very high73 Ų7346.4 Ų46.439%0.3927%0.267SS..EExtended strand (participates in β ladder)trans-76.6126.8173.4-68-86.2000110.9E39 T40 R95E39-D68 CarbonylContact C-O 3.55Å; E39-D68 WeakPolarHBondContact CA-O 3.3Å; T40-D68 PolarHBondContact N-O 3.06Å; T40-D68 PolarHBondContact OG1-O 2.9Å; D68-R95 WeakPolarHBondContact OD1-CB 3.39Å; D68-R95 IonicContact OD2-NE 3.96Å
69Y95.4Very high89.9Confident13 Ų1352.2 Ų52.25%0.05130%0.304CS..EExtended strand (participates in β ladder)trans-118.1134.7175.9-76.9-89.6000111.3G38 E39 T40 L63 K64 V67 N93 Y94 T96G38-Y69 VanDerWaalsContact C-CD1 3.5Å; G38-Y69 CarbonylContact O-C 3.53Å; G38-Y69 VanDerWaalsContact O-CA 3.29Å; G38-Y69 WeakPolarHBondContact O-CA 3.47Å; G38-Y69 WeakPolarHBondContact O-CD1 3.42Å; E39-Y69 HydrophobicContact CG-CD1 4.45Å; E39-Y69 HydrophobicContact CG-CE1 3.83Å; T40-Y69 PolarHBondContact OG1-N 2.82Å; L63-Y69 HydrophobicContact CB-CE2 3.91Å; L63-Y69 HydrophobicContact CD2-CD1 4.03Å; L63-Y69 HydrophobicContact CD2-CD2 4.38Å; L63-Y69 HydrophobicContact CD2-CE1 3.68Å; L63-Y69 HydrophobicContact CD2-CE2 4.04Å; L63-Y69 HydrophobicContact CD2-CG 4.38Å; L63-Y69 HydrophobicContact CG-CE2 4.39Å; K64-Y69 PolarHBondContact N-OH 2.88Å; V67-Y69 HydrophobicContact CB-CD2 4.37Å; V67-Y69 HydrophobicContact CB-CE2 3.81Å; V67-Y69 HydrophobicContact CG1-CD2 4.15Å; V67-Y69 HydrophobicContact CG1-CE2 3.71Å; V67-Y69 WeakPolarHBondContact O-CD2 3.35Å; Y69-N93 CarbonylContact O-C 3.52Å; Y69-N93 VanDerWaalsContact O-CA 3.29Å; Y69-N93 WeakPolarHBondContact O-CA 3.18Å; Y69-Y94 PolarHBondContact N-O 3.2Å; Y69-Y94 PolarHBondContact O-N 3.49Å; Y69-T96 HydrophobicContact CD2-CG2 4.09Å; Y69-T96 HydrophobicContact CE2-CG2 4.18Å
70T95.6Very high87.8Confident44 Ų4457.6 Ų57.627%0.2732%0.316SS..EExtended strand (participates in β ladder)trans-89.7122.6165.7-59.80000108.2Y37 G38 T40 I92 N93Y37-T70 VanDerWaalsContact CA-O 3.3Å; Y37-T70 WeakPolarHBondContact CA-O 3.37Å; G38-T70 PolarHBondContact N-O 2.86Å; G38-T70 VanDerWaalsContact N-O 3.13Å; G38-T70 PolarHBondContact O-N 2.84Å; T40-T70 PolarHBondContact OG1-N 3.05Å; T40-T70 VanDerWaalsContact OG1-N 3.13Å; T40-T70 PolarHBondContact OG1-OG1 2.75Å; T70-I92 WeakPolarHBondContact CA-O 3.08Å; T70-N93 WeakPolarHBondContact CA-OD1 3.14Å; T70-N93 WeakPolarHBondContact CB-OD1 3.44Å; T70-N93 WeakPolarHBondContact CG2-OD1 3.45Å; T70-N93 PolarHBondContact OG1-OD1 3.39Å
71I95.6Very high85.6Confident0 Ų067.1 Ų67.10%036%0.357CS..EExtended strand (participates in β ladder)trans-115.4132179.7-58.3158.7000107.3L19 I21 I35 T36 I60 S91 I92L19-I71 HydrophobicContact CD1-CD1 3.65Å; I21-I71 HydrophobicContact CD1-CG2 4.07Å; I21-I71 HydrophobicContact CG2-CD1 4.16Å; I35-I71 HydrophobicContact CG2-CG2 4.26Å; T36-I71 CarbonylContact O-C 3.57Å; T36-I71 WeakPolarHBondContact O-CA 3.3Å; I60-I71 HydrophobicContact CD1-CD1 3.98Å; I60-I71 HydrophobicContact CD1-CG1 3.94Å; I60-I71 HydrophobicContact CD1-CG2 3.86Å; I71-S91 CarbonylContact O-C 3.52Å; I71-S91 WeakPolarHBondContact O-CA 3.45Å; I71-I92 HydrophobicContact CB-CG1 4.1Å; I71-I92 HydrophobicContact CD1-CD1 4.44Å; I71-I92 HydrophobicContact CD1-CG1 4.45Å; I71-I92 PolarHBondContact N-O 2.99Å; I71-I92 PolarHBondContact O-N 2.86Å
72T93Very high83.5Confident11 Ų1170.6 Ų70.67%0.06737%0.365CS..EExtended strand (participates in β ladder)trans-131132.2178.8-55.30000110.9I35 T36 Y74 P89 I90 S91I35-T72 WeakPolarHBondContact CA-O 3.31Å; T36-T72 PolarHBondContact N-O 3.45Å; T36-T72 PolarHBondContact O-N 2.84Å; T36-T72 WeakPolarHBondContact OG1-CB 3.22Å; T72-Y74 HydrophobicContact CG2-CD2 4.07Å; T72-Y74 HydrophobicContact CG2-CE1 4.33Å; T72-Y74 HydrophobicContact CG2-CE2 3.44Å; T72-Y74 VanDerWaalsContact CG2-CE2 3.44Å; T72-P89 HydrophobicContact CG2-CB 3.6Å; T72-P89 HydrophobicContact CG2-CG 4.37Å; T72-I90 CarbonylContact C-O 3.54Å; T72-I90 VanDerWaalsContact CA-O 3.3Å; T72-I90 WeakPolarHBondContact CA-O 3.42Å; T72-S91 WeakPolarHBondContact CB-OG 3.4Å; T72-S91 WeakPolarHBondContact CG2-OG 3.46Å; T72-S91 WeakPolarHBondContact OG1-CB 3.16Å; T72-S91 PolarHBondContact OG1-OG 2.82Å
73V91.3Very high81.4Confident2 Ų272.5 Ų72.51%0.01237%0.367CS..EExtended strand (participates in β ladder)trans-108.4124.1175.5-179.60000109.2L9 I21 W23 Y33 I35 P89 I90L9-V73 HydrophobicContact CD1-CG2 3.74Å; L9-V73 HydrophobicContact CD2-CB 4.4Å; L9-V73 HydrophobicContact CD2-CG2 3.78Å; L9-V73 HydrophobicContact CG-CG2 4.39Å; I21-V73 HydrophobicContact CD1-CG2 4.38Å; W23-V73 HydrophobicContact CD2-CG1 4.13Å; W23-V73 HydrophobicContact CD2-CG2 4.38Å; W23-V73 HydrophobicContact CE3-CG2 4.14Å; W23-V73 HydrophobicContact CG-CG1 4.34Å; W23-V73 HydrophobicContact CZ3-CG2 4.5Å; Y33-V73 HydrophobicContact CD1-CG1 4.08Å; I35-V73 HydrophobicContact CG1-CG2 4.26Å; V73-P89 WeakPolarHBondContact O-CA 3.26Å; V73-I90 PolarHBondContact N-O 2.91Å; V73-I90 PolarHBondContact O-N 3.35Å
74Y86.9Confident79.2Confident71 Ų7174.9 Ų74.928%0.27839%0.393SS..EExtended strand (participates in β ladder)trans-107123.7173.5-58.6-99.1000108.5Y33 R34 T36 T72 P89Y33-Y74 CarbonylContact C-O 3.52Å; Y33-Y74 VanDerWaalsContact CA-O 3.26Å; Y33-Y74 WeakPolarHBondContact CA-O 3.16Å; R34-Y74 PolarHBondContact N-O 3.34Å; R34-Y74 WeakPolarHBondContact O-CD2 3.29Å; R34-Y74 PolarHBondContact O-N 2.86Å; T36-Y74 HydrophobicContact CG2-CD2 4.14Å; T36-Y74 HydrophobicContact CG2-CE2 3.6Å; T72-Y74 HydrophobicContact CG2-CD2 4.07Å; T72-Y74 HydrophobicContact CG2-CE1 4.33Å; T72-Y74 HydrophobicContact CG2-CE2 3.44Å; T72-Y74 VanDerWaalsContact CG2-CE2 3.44Å; Y74-P89 HydrophobicContact CD1-CB 3.58Å; Y74-P89 HydrophobicContact CD1-CG 4.12Å; Y74-P89 HydrophobicContact CE1-CB 3.58Å; Y74-P89 HydrophobicContact CE1-CG 3.75Å; Y74-P89 HydrophobicContact CG-CB 4.12Å
75A82.7Confident77.1Confident27 Ų2778 Ų7822%0.22340%0.404CS..EExtended strand (participates in β ladder)trans-80.6120.616500000108.5Y33Y33-A75 HydrophobicContact CD1-CB 4.38Å; Y33-A75 HydrophobicContact CE1-CB 4.41Å
76V79.3Confident75Confident41 Ų4185.1 Ų85.125%0.24842%0.424CS..EExtended strand (participates in β ladder)trans-11196.1179.2-172.50000108.7G31 Y32 R34G31-V76 CarbonylContact C-O 3.47Å; G31-V76 WeakPolarHBondContact CA-O 3.39Å; Y32-V76 HydrophobicContact CD1-CB 4.26Å; Y32-V76 HydrophobicContact CD1-CG1 4.38Å; Y32-V76 HydrophobicContact CD2-CB 4.12Å; Y32-V76 HydrophobicContact CD2-CG2 4.3Å; Y32-V76 HydrophobicContact CE1-CB 3.96Å; Y32-V76 HydrophobicContact CE1-CG1 3.67Å; Y32-V76 HydrophobicContact CE2-CB 3.82Å; Y32-V76 HydrophobicContact CE2-CG1 4.12Å; Y32-V76 HydrophobicContact CE2-CG2 3.81Å; Y32-V76 HydrophobicContact CG-CB 4.34Å; Y32-V76 PolarHBondContact N-O 2.98Å; Y32-V76 WeakPolarHBondContact O-CA 3.45Å; Y32-V76 WeakPolarHBondContact O-CB 3.5Å; Y32-V76 PolarHBondContact O-N 3.19Å; R34-V76 HydrophobicContact CB-CG2 4.3Å
77E74.5Confident73.5Confident86 Ų8686.4 Ų86.440%0.40243%0.427SS..  trans-76.3141.3175.3-62-172.2162.100111.1H87E77-H87 IonicContact OE1-CD2 3.73Å; E77-H87 IonicContact OE1-NE2 3.35Å; E77-H87 PolarHBondContact OE1-NE2 2.61Å
78Y68.2Low72.4Confident138 Ų13894.8 Ų94.854%0.54145%0.454SS..  trans-62.1141.5164.2-69.3-67.3000108.8Y30 Y80Y30-Y78 WeakPolarHBondContact O-CD2 3.01Å; Y30-Y78 WeakPolarHBondContact O-CE2 2.91Å; Y78-Y80 PolarHBondContact O-N 3.36Å
79P62.9Low71.9Confident131 Ų13194.1 Ų94.185%0.85145%0.454SS*.  trans-62.295.7-175.824.3-33000110.4
80Y54Low71.5Confident196 Ų19694.8 Ų94.877%0.76946%0.458SS*.  trans-92.9141.1164.1-145.7-100000107.8Y78 H82Y78-Y80 PolarHBondContact O-N 3.36Å; Y80-H82 AromaticContact CD1-ND1 3.89Å; Y80-H82 PolarHBondContact O-N 3.1Å
81K52.3Low71.3Confident203 Ų20395.9 Ų95.988%0.88347%0.467SS*.SBendtrans-6420.8-167.2-72.8-169.6173.7-174.60116.7
82H52.7Low71.2Confident147 Ų14797.7 Ų97.768%0.68148%0.476SS*.  trans-120.662.5-173.9-66.761.1000110.4Y80 G84Y80-H82 AromaticContact CD1-ND1 3.89Å; Y80-H82 PolarHBondContact O-N 3.1Å; H82-G84 PolarHBondContact O-N 3.25Å
83S50.9Low71.3Confident111 Ų111102 Ų10278%0.77650%0.499SS*.THydrogen-bonded Turntrans-7980.7-176.771.40000112.1
84G50.1Low71.4Confident57 Ų57105.6 Ų105.659%0.58851%0.513SS*.THydrogen-bonded Turntrans-124.3-13.8157.200000113H82 Y86H82-G84 PolarHBondContact O-N 3.25Å; G84-Y86 PolarHBondContact O-N 3.37Å
85Y51.2Low71.8Confident178 Ų178109 Ų10970%0.69853%0.526SS*.  trans-95.390.1-176.7-74.3-84.6000110.9H87Y85-H87 PolarHBondContact O-N 3.07Å
86Y52.9Low72.4Confident207 Ų207108 Ų10881%0.81252%0.516SS*.  trans-82.596.6162.5-64.1-83.7000108G84 R88G84-Y86 PolarHBondContact O-N 3.37Å; Y86-R88 PolarHBondContact O-N 3.05Å
87H63.5Low73.1Confident41 Ų41110.4 Ų110.419%0.1953%0.525CS..  trans-67.4107.9170-65.1-88000108D4 E77 Y85D4-H87 PolarHBondContact O-CE1 3Å; D4-H87 PolarHBondContact O-ND1 2.89Å; E77-H87 IonicContact OE1-CD2 3.73Å; E77-H87 IonicContact OE1-NE2 3.35Å; E77-H87 PolarHBondContact OE1-NE2 2.61Å; Y85-H87 PolarHBondContact O-N 3.07Å
88R72.7Confident73.9Confident214 Ų214112.4 Ų112.481%0.80854%0.537SS*.  trans-61.4137.2169.6-74.1-179.8165.9164.6-3.9108.1Y86Y86-R88 PolarHBondContact O-N 3.05Å
89P84.1Confident74.6Confident58 Ų58115.1 Ų115.138%0.37756%0.561SS.*  trans-61.6154.3172.628.8-34.9000110.3T72 V73 Y74T72-P89 HydrophobicContact CG2-CB 3.6Å; T72-P89 HydrophobicContact CG2-CG 4.37Å; V73-P89 WeakPolarHBondContact O-CA 3.26Å; Y74-P89 HydrophobicContact CD1-CB 3.58Å; Y74-P89 HydrophobicContact CD1-CG 4.12Å; Y74-P89 HydrophobicContact CE1-CB 3.58Å; Y74-P89 HydrophobicContact CE1-CG 3.75Å; Y74-P89 HydrophobicContact CG-CB 4.12Å
90I86.7Confident75.2Confident28 Ų28114.3 Ų114.314%0.14455%0.546CS..EExtended strand (participates in β ladder)trans-108.4131.9174.1-61.1105.9000108.8V5 P6 L9 T72 V73V5-I90 HydrophobicContact CG1-CD1 3.98Å; V5-I90 HydrophobicContact CG1-CG1 4.31Å; P6-I90 HydrophobicContact CB-CD1 3.6Å; P6-I90 VanDerWaalsContact CD-CD1 3.48Å; P6-I90 HydrophobicContact CG-CD1 3.62Å; P6-I90 WeakPolarHBondContact O-CD1 3.46Å; P6-I90 WeakPolarHBondContact O-CG1 3.36Å; L9-I90 HydrophobicContact CB-CB 4.38Å; L9-I90 HydrophobicContact CB-CG2 3.53Å; L9-I90 HydrophobicContact CD2-CG2 4.18Å; L9-I90 WeakPolarHBondContact CD2-O 3.42Å; T72-I90 CarbonylContact C-O 3.54Å; T72-I90 VanDerWaalsContact CA-O 3.3Å; T72-I90 WeakPolarHBondContact CA-O 3.42Å; V73-I90 PolarHBondContact N-O 2.91Å; V73-I90 PolarHBondContact O-N 3.35Å
91S91.1Very high76.3Confident66 Ų66110 Ų11046%0.46253%0.534SS..EExtended strand (participates in β ladder)trans-125.7143.4-177.7-55.80000111.2I71 T72I71-S91 CarbonylContact O-C 3.52Å; I71-S91 WeakPolarHBondContact O-CA 3.45Å; T72-S91 WeakPolarHBondContact CB-OG 3.4Å; T72-S91 WeakPolarHBondContact CG2-OG 3.46Å; T72-S91 WeakPolarHBondContact OG1-CB 3.16Å; T72-S91 PolarHBondContact OG1-OG 2.82Å
92I93.5Very high77.6Confident38 Ų38104.8 Ų104.820%0.19552%0.515CS..EExtended strand (participates in β ladder)trans-131.5155.8168.860.4169.7000109.9L9 V11 T70 I71L9-I92 HydrophobicContact CB-CG2 4.23Å; L9-I92 HydrophobicContact CD2-CD1 4.38Å; L9-I92 HydrophobicContact CD2-CG1 3.89Å; L9-I92 HydrophobicContact CD2-CG2 4.17Å; L9-I92 HydrophobicContact CG-CD1 4Å; L9-I92 HydrophobicContact CG-CG1 4.03Å; L9-I92 HydrophobicContact CG-CG2 4.07Å; L9-I92 WeakPolarHBondContact O-CG2 3.48Å; V11-I92 HydrophobicContact CG2-CD1 3.85Å; T70-I92 WeakPolarHBondContact CA-O 3.08Å; I71-I92 HydrophobicContact CB-CG1 4.1Å; I71-I92 HydrophobicContact CD1-CD1 4.44Å; I71-I92 HydrophobicContact CD1-CG1 4.45Å; I71-I92 PolarHBondContact N-O 2.99Å; I71-I92 PolarHBondContact O-N 2.86Å
93N94.9Very high79.1Confident102 Ų102102.4 Ų102.455%0.54551%0.505SS..EExtended strand (participates in β ladder)trans-106.9136.5164.8-69.3-12.9000108.6Y69 T70Y69-N93 CarbonylContact O-C 3.52Å; Y69-N93 VanDerWaalsContact O-CA 3.29Å; Y69-N93 WeakPolarHBondContact O-CA 3.18Å; T70-N93 WeakPolarHBondContact CA-OD1 3.14Å; T70-N93 WeakPolarHBondContact CB-OD1 3.44Å; T70-N93 WeakPolarHBondContact CG2-OD1 3.45Å; T70-N93 PolarHBondContact OG1-OD1 3.39Å
94Y94.8Very high80.9Confident77 Ų77101.8 Ų101.830%0.30249%0.488SS..EExtended strand (participates in β ladder)trans-142.3135.8177.5-167.6-89.4000111.1V11 A14 L19 Y69V11-Y94 HydrophobicContact CB-CD2 3.77Å; V11-Y94 HydrophobicContact CB-CE2 3.71Å; V11-Y94 HydrophobicContact CB-CG 4.29Å; V11-Y94 HydrophobicContact CG1-CD1 4.5Å; V11-Y94 HydrophobicContact CG1-CD2 4.24Å; V11-Y94 HydrophobicContact CG1-CE1 4.16Å; V11-Y94 HydrophobicContact CG1-CE2 3.86Å; V11-Y94 HydrophobicContact CG2-CD1 4.2Å; V11-Y94 HydrophobicContact CG2-CD2 3.5Å; V11-Y94 HydrophobicContact CG2-CE2 3.98Å; V11-Y94 HydrophobicContact CG2-CG 3.62Å; A14-Y94 HydrophobicContact CB-CE1 3.93Å; L19-Y94 HydrophobicContact CD1-CD1 3.88Å; L19-Y94 HydrophobicContact CD1-CG 4.44Å; L19-Y94 HydrophobicContact CD2-CD1 3.44Å; L19-Y94 VanDerWaalsContact CD2-CD1 3.44Å; L19-Y94 HydrophobicContact CD2-CE1 3.4Å; L19-Y94 HydrophobicContact CD2-CG 4.46Å; L19-Y94 HydrophobicContact CG-CD1 4.33Å; Y69-Y94 PolarHBondContact N-O 3.2Å; Y69-Y94 PolarHBondContact O-N 3.49Å
95R95.3Very high82.9Confident144 Ų144104.8 Ų104.854%0.54348%0.482SS..EExtended strand (participates in β ladder)trans-95.3122.1175.2-167.9169.9-177.6175.40.1110.2G66 V67 D68G66-R95 PolarHBondContact O-NE 3.35Å; G66-R95 PolarHBondContact O-NH2 2.92Å; V67-R95 WeakPolarHBondContact O-CA 3.44Å; D68-R95 WeakPolarHBondContact OD1-CB 3.39Å; D68-R95 IonicContact OD2-NE 3.96Å
96T94.8Very high85.2Confident4 Ų499.6 Ų99.63%0.02547%0.466CS..PPolyproline II helixtrans-62.4155.2174.947.70000111.4L19 L63 K64 G66 V67 Y69L19-T96 HydrophobicContact CD2-CG2 4.37Å; L19-T96 HydrophobicContact CG-CG2 4.46Å; L63-T96 HydrophobicContact CB-CG2 3.93Å; L63-T96 HydrophobicContact CD1-CG2 3.82Å; K64-T96 PolarHBondContact O-OG1 2.83Å; G66-T96 WeakPolarHBondContact CA-O 3.19Å; G66-T96 PolarHBondContact N-O 3.03Å; G66-T96 PolarHBondContact N-OG1 2.97Å; G66-T96 VanDerWaalsContact N-OG1 3.07Å; V67-T96 PolarHBondContact N-OG1 2.72Å; V67-T96 PolarHBondContact O-N 2.83Å; V67-T96 PolarHBondContact O-OG1 2.83Å; Y69-T96 HydrophobicContact CD2-CG2 4.09Å; Y69-T96 HydrophobicContact CE2-CG2 4.18Å
97E93.8Very high87.7Confident93 Ų9391.3 Ų91.344%0.43544%0.44SS..PPolyproline II helixtrans-63156.5175.4-62.6177.6170.100111A14 P16 P65 G66A14-E97 HydrophobicContact CB-CG 4.35Å; P16-E97 WeakPolarHBondContact CA-O 3.05Å; P16-E97 HydrophobicContact CB-CB 4.48Å; P16-E97 HydrophobicContact CG-CB 4.04Å; P65-E97 CarbonylContact C-O 3.49Å; P65-E97 VanDerWaalsContact CA-O 3.25Å; P65-E97 WeakPolarHBondContact CA-O 3.17Å; P65-E97 WeakPolarHBondContact CB-O 3.09Å; G66-E97 PolarHBondContact N-O 2.75Å
98I92.3Very high89.7Confident128 Ų12895.5 Ų95.566%0.65646%0.461SS*.PPolyproline II helixtrans-88.5149.7172.2-55172.8000107.3
99D82.1Confident91.2Very high194 Ų19484.7 Ų84.7100%1.03743%0.429SS*.  trans-65.10172.8-163.841.8000112.5

Retrieved 99 of 99 residues in 78.5 ms (Link to these results)

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