A0A077ZI95_TRITR Loading...

WD40 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZI95, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 305 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
1M71.4Confident85.4Confident226 Ų226106.5 Ų106.5100%1.11350%0.495SS*.  0126.80-172.3-178.5-6900107.7
2I74.6Confident85.9Confident67 Ų6798.4 Ų98.434%0.34446%0.461SS..  trans-84.4130.8169.5-54.9172000106.9W4 L43 P50 L52I2-W4 HydrophobicContact CG2-CB 4.2Å; I2-L43 HydrophobicContact CD1-CD1 3.69Å; I2-P50 HydrophobicContact CD1-CB 3.46Å; I2-P50 VanDerWaalsContact CD1-CB 3.46Å; I2-P50 HydrophobicContact CD1-CG 3.73Å; I2-P50 HydrophobicContact CG1-CB 3.81Å; I2-P50 HydrophobicContact CG1-CG 3.46Å; I2-P50 VanDerWaalsContact CG1-CG 3.46Å; I2-L52 HydrophobicContact CD1-CG 4.47Å; I2-L52 HydrophobicContact CG2-CD1 4.28Å
3Q81Confident86.5Confident189 Ų18997.3 Ų97.388%0.88347%0.465SS*.  trans-115.1118.1167-155.2176.6-5.400107.4
4W83.3Confident87.1Confident90 Ų9094.6 Ų94.634%0.34145%0.45SS..  trans-140.6150.7-176.5170.978.4000109.5I2 T6 M10 V23 Y41 L52I2-W4 HydrophobicContact CG2-CB 4.2Å; W4-T6 HydrophobicContact CH2-CG2 3.17Å; W4-T6 HydrophobicContact CZ2-CG2 3.61Å; W4-T6 HydrophobicContact CZ3-CG2 3.99Å; W4-M10 HydrophobicContact CZ3-SD 4.29Å; W4-V23 HydrophobicContact CH2-CG1 4.24Å; W4-V23 HydrophobicContact CH2-CG2 4.07Å; W4-V23 HydrophobicContact CZ3-CG1 4.12Å; W4-Y41 AromaticContact CE2-CE1 3.94Å; W4-Y41 AromaticContact CE2-CZ 3.89Å; W4-Y41 AromaticContact CH2-CD2 3.91Å; W4-Y41 HydrophobicContact CH2-CD2 3.91Å; W4-Y41 HydrophobicContact CH2-CE1 4.36Å; W4-Y41 AromaticContact CH2-CE2 3.36Å; W4-Y41 HydrophobicContact CH2-CE2 3.36Å; W4-Y41 AromaticContact CH2-CZ 3.65Å; W4-Y41 HydrophobicContact CZ2-CD1 4.39Å; W4-Y41 HydrophobicContact CZ2-CD2 4.19Å; W4-Y41 AromaticContact CZ2-CE1 3.67Å; W4-Y41 HydrophobicContact CZ2-CE1 3.67Å; W4-Y41 AromaticContact CZ2-CE2 3.42Å; W4-Y41 HydrophobicContact CZ2-CE2 3.42Å; W4-Y41 VanDerWaalsContact CZ2-CE2 3.42Å; W4-Y41 AromaticContact CZ2-CZ 3.13Å; W4-Y41 WeakPolarHBondContact CZ2-OH 3.39Å; W4-Y41 HydrophobicContact CZ3-CE2 4.42Å; W4-L52 HydrophobicContact CB-CD1 3.99Å; W4-L52 HydrophobicContact CD2-CD1 4.06Å; W4-L52 HydrophobicContact CE3-CD1 4.12Å; W4-L52 HydrophobicContact CG-CD1 3.98Å
5R86.8Confident87.5Confident221 Ų22192.9 Ų92.983%0.83446%0.458SS*.  trans-139.9143.6-179.867.5-179.8-176.8178.80.9111.1
6T87.7Confident87.6Confident23 Ų2387.1 Ų87.114%0.14143%0.429CS..  trans-77.3165.5163.547.80000110.8W4 F8 M10 V23W4-T6 HydrophobicContact CH2-CG2 3.17Å; W4-T6 HydrophobicContact CZ2-CG2 3.61Å; W4-T6 HydrophobicContact CZ3-CG2 3.99Å; T6-F8 VanDerWaalsContact C-N 3.34Å; T6-F8 WeakPolarHBondContact CB-O 3.35Å; T6-F8 HydrophobicContact CG2-CD1 4.47Å; T6-F8 HydrophobicContact CG2-CE1 3.88Å; T6-F8 HydrophobicContact CG2-CE2 4.23Å; T6-F8 HydrophobicContact CG2-CZ 3.75Å; T6-F8 PolarHBondContact OG1-O 3.16Å; T6-M10 HydrophobicContact CG2-CG 3.9Å; T6-M10 HydrophobicContact CG2-SD 3.88Å; T6-M10 WeakPolarHBondContact OG1-CG 3.2Å; T6-V23 HydrophobicContact CG2-CG2 3.93Å
7N88.4Confident87.5Confident102 Ų10284.4 Ų84.455%0.54543%0.429SS..SBendtrans-91.15.916862-26.6000113.1
8F90.4Very high87.4Confident7 Ų789.3 Ų89.33%0.03145%0.45CS..SBendtrans-134.9152.7176.459.3-89000111.2T6 M10 V23 V34 C37 E39T6-F8 VanDerWaalsContact C-N 3.34Å; T6-F8 WeakPolarHBondContact CB-O 3.35Å; T6-F8 HydrophobicContact CG2-CD1 4.47Å; T6-F8 HydrophobicContact CG2-CE1 3.88Å; T6-F8 HydrophobicContact CG2-CE2 4.23Å; T6-F8 HydrophobicContact CG2-CZ 3.75Å; T6-F8 PolarHBondContact OG1-O 3.16Å; F8-M10 PolarHBondContact O-N 3.12Å; F8-V23 HydrophobicContact CZ-CG2 4Å; F8-V34 HydrophobicContact CB-CG1 3.63Å; F8-C37 VanDerWaalsContact CD1-SG 3.52Å; F8-C37 WeakPolarHBondContact CE1-SG 2.87Å; F8-E39 HydrophobicContact CE1-CG 4.03Å; F8-E39 WeakPolarHBondContact CE1-OE2 3.45Å; F8-E39 HydrophobicContact CZ-CG 4.21Å
9P91.4Very high87.4Confident60 Ų6090.5 Ų90.539%0.3945%0.454SS..  trans-59128.1173.1-22.232.5000111.6Y11 G25 G26P9-Y11 HydrophobicContact CB-CE1 4.31Å; P9-G25 CarbonylContact O-C 3.44Å; P9-G25 VanDerWaalsContact O-CA 3.31Å; P9-G25 WeakPolarHBondContact O-CA 3.46Å; P9-G26 PolarHBondContact O-N 3.1Å
10M92.9Very high87.5Confident87 Ų8788.1 Ų88.143%0.42944%0.441SS..EExtended strand (participates in β ladder)trans-86.9123.1176.9-60.8178.1-71.300109.9W4 T6 F8 V13 V23W4-M10 HydrophobicContact CZ3-SD 4.29Å; T6-M10 HydrophobicContact CG2-CG 3.9Å; T6-M10 HydrophobicContact CG2-SD 3.88Å; T6-M10 WeakPolarHBondContact OG1-CG 3.2Å; F8-M10 PolarHBondContact O-N 3.12Å; M10-V13 HydrophobicContact CB-CG2 4.42Å; M10-V13 HydrophobicContact SD-CG2 4.19Å; M10-V23 HydrophobicContact CG-CB 4.47Å; M10-V23 HydrophobicContact SD-CB 4.27Å; M10-V23 HydrophobicContact SD-CG1 3.97Å
11Y91.9Very high87.8Confident100 Ų10086.3 Ų86.339%0.39243%0.432SS..EExtended strand (participates in β ladder)trans-103.6-23.9172.3-58.5-52.8000112.1P9 A24 G26 A64 T65 M66P9-Y11 HydrophobicContact CB-CE1 4.31Å; Y11-A24 PolarHBondContact N-O 3.27Å; Y11-G26 WeakPolarHBondContact CE2-O 3.29Å; Y11-G26 PolarHBondContact OH-O 3.13Å; Y11-G26 VanDerWaalsContact OH-O 3.06Å; Y11-A64 HydrophobicContact CE2-CB 4.27Å; Y11-T65 WeakPolarHBondContact CB-O 3.45Å; Y11-T65 WeakPolarHBondContact CD2-O 3.48Å; Y11-M66 HydrophobicContact CD1-CE 4.32Å; Y11-M66 HydrophobicContact CD2-CE 4.23Å; Y11-M66 HydrophobicContact CD2-SD 3.54Å; Y11-M66 VanDerWaalsContact CD2-SD 3.54Å; Y11-M66 HydrophobicContact CE1-CE 4.35Å; Y11-M66 HydrophobicContact CE2-CE 4.28Å; Y11-M66 HydrophobicContact CE2-SD 3.64Å; Y11-M66 HydrophobicContact CG-CE 4.27Å; Y11-M66 HydrophobicContact CG-SD 4.11Å
12G91Very high88.9Confident9 Ų975.5 Ų75.59%0.09338%0.379CS..EExtended strand (participates in β ladder)trans-132.7138.8174.600000111.8V23 A24 M68G12-V23 WeakPolarHBondContact O-CA 3.34Å; G12-A24 PolarHBondContact N-O 2.87Å; G12-A24 PolarHBondContact O-N 3.48Å; G12-M68 WeakPolarHBondContact O-CE 3.3Å
13V94.5Very high89.9Confident84 Ų8472.4 Ų72.451%0.50936%0.363SS..EExtended strand (participates in β ladder)trans-135130.2165.8-174.50000108.5M10 I22 V23 M68M10-V13 HydrophobicContact CB-CG2 4.42Å; M10-V13 HydrophobicContact SD-CG2 4.19Å; V13-I22 WeakPolarHBondContact CA-O 3.03Å; V13-V23 HydrophobicContact CG1-CG1 4.15Å; V13-V23 HydrophobicContact CG2-CG1 4.07Å; V13-M68 VanDerWaalsContact C-CE 3.47Å; V13-M68 VanDerWaalsContact CA-CE 3.46Å; V13-M68 VanDerWaalsContact N-CE 3.34Å
14K94.9Very high90.5Very high60 Ų6063.4 Ų63.426%0.26132%0.321SS..EExtended strand (participates in β ladder)trans-141150.7178-68.5-76.4-176.8147.20110.3I21 I22 M68 D69 V70K14-I21 CarbonylContact O-C 3.51Å; K14-I21 WeakPolarHBondContact O-CA 3.28Å; K14-I22 HydrophobicContact CB-CG2 3.89Å; K14-I22 PolarHBondContact N-O 2.71Å; K14-I22 PolarHBondContact O-N 3.25Å; K14-M68 HydrophobicContact CB-CE 3.81Å; K14-M68 WeakPolarHBondContact CE-O 3.27Å; K14-M68 HydrophobicContact CG-CE 3.65Å; K14-M68 HydrophobicContact CG-CG 4.07Å; K14-M68 VanDerWaalsContact N-CE 3.35Å; K14-D69 IonicContact NZ-OD1 2.68Å; K14-D69 PolarHBondContact NZ-OD1 2.91Å; K14-V70 HydrophobicContact CB-CG2 3.64Å; K14-V70 HydrophobicContact CG-CG2 4Å
15A92.5Very high91Very high68 Ų6859.1 Ų59.156%0.56231%0.305SS*.EExtended strand (participates in β ladder)trans-76.8142.8167.500000109.8
16L89.5Confident91.1Very high0 Ų048.6 Ų48.60%027%0.265CS..EExtended strand (participates in β ladder)trans-115.193.7171.1-69.4-170.9000107.3H20 I22 V40 V70 F80 L82 V100L16-H20 HydrophobicContact CB-CB 3.78Å; L16-H20 PolarHBondContact N-O 3.48Å; L16-H20 WeakPolarHBondContact O-CB 3.07Å; L16-H20 PolarHBondContact O-N 3.19Å; L16-I22 HydrophobicContact CD1-CB 3.81Å; L16-I22 HydrophobicContact CD1-CD1 4.46Å; L16-I22 HydrophobicContact CD1-CG2 4.19Å; L16-I22 HydrophobicContact CD2-CB 4.36Å; L16-I22 HydrophobicContact CD2-CG2 3.8Å; L16-I22 HydrophobicContact CG-CB 3.9Å; L16-I22 HydrophobicContact CG-CG2 3.78Å; L16-V40 HydrophobicContact CD1-CG1 3.91Å; L16-V40 HydrophobicContact CD1-CG2 3.82Å; L16-V70 HydrophobicContact CD2-CB 4.14Å; L16-V70 HydrophobicContact CD2-CG1 3.27Å; L16-V70 HydrophobicContact CD2-CG2 3.8Å; L16-F80 HydrophobicContact CB-CD2 4.39Å; L16-F80 HydrophobicContact CB-CE1 4.4Å; L16-F80 HydrophobicContact CB-CE2 4.21Å; L16-F80 HydrophobicContact CB-CZ 4.22Å; L16-F80 HydrophobicContact CD2-CB 4.23Å; L16-F80 HydrophobicContact CD2-CD1 4.3Å; L16-F80 HydrophobicContact CD2-CD2 4.5Å; L16-F80 HydrophobicContact CD2-CG 4.08Å; L16-L82 HydrophobicContact CD2-CD2 4.07Å; L16-V100 HydrophobicContact CD1-CG1 4.45Å
17G86.2Confident91Very high41 Ų4148.2 Ų48.242%0.42327%0.266SS..THydrogen-bonded Turntrans62-147.9-169.900000112
18E84.6Confident90.7Very high173 Ų17344 Ų4481%0.80825%0.246SC*.THydrogen-bonded Turntrans-91.1-24.4-170.8-60.9-175.5174.300114.2
19H87.2Confident89.9Confident112 Ų11248.7 Ų48.752%0.51927%0.268SS..THydrogen-bonded Turntrans-121.82.7-169.2-61.4-54.9000114.4L43H19-L43 PolarHBondContact O-N 2.8Å
20H90.5Very high88.7Confident43 Ų4349.8 Ų49.820%0.19928%0.277CS..EExtended strand (participates in β ladder)trans-128.1149.6-177.9-49.999.2000111.2L16 V40 Y41 L55L16-H20 HydrophobicContact CB-CB 3.78Å; L16-H20 PolarHBondContact N-O 3.48Å; L16-H20 WeakPolarHBondContact O-CB 3.07Å; L16-H20 PolarHBondContact O-N 3.19Å; H20-V40 HydrophobicContact CB-CG1 4.45Å; H20-Y41 CarbonylContact C-O 3.58Å; H20-Y41 VanDerWaalsContact CA-O 3.27Å; H20-Y41 WeakPolarHBondContact CA-O 3.48Å; H20-L55 WeakPolarHBondContact CD2-CD1 3.14Å
21I93.1Very high87.4Confident50 Ų5055.5 Ų55.526%0.25630%0.299SS..EExtended strand (participates in β ladder)trans-126145.4169.564.4174.2000108.9K14 V40 Y41 L52K14-I21 CarbonylContact O-C 3.51Å; K14-I21 WeakPolarHBondContact O-CA 3.28Å; I21-V40 WeakPolarHBondContact O-CA 3.2Å; I21-Y41 PolarHBondContact N-O 2.77Å; I21-Y41 PolarHBondContact O-N 2.84Å; I21-L52 HydrophobicContact CD1-CD1 4.32Å; I21-L52 HydrophobicContact CD1-CD2 4Å; I21-L52 HydrophobicContact CG1-CD2 4.38Å
22I94.9Very high86.5Confident0 Ų054.1 Ų54.10%031%0.305CS..EExtended strand (participates in β ladder)trans-113.7136.3169.6-172.3167.7000109.3V13 K14 L16 L38 E39 V40 M68 V70 L82 F144V13-I22 WeakPolarHBondContact CA-O 3.03Å; K14-I22 HydrophobicContact CB-CG2 3.89Å; K14-I22 PolarHBondContact N-O 2.71Å; K14-I22 PolarHBondContact O-N 3.25Å; L16-I22 HydrophobicContact CD1-CB 3.81Å; L16-I22 HydrophobicContact CD1-CD1 4.46Å; L16-I22 HydrophobicContact CD1-CG2 4.19Å; L16-I22 HydrophobicContact CD2-CB 4.36Å; L16-I22 HydrophobicContact CD2-CG2 3.8Å; L16-I22 HydrophobicContact CG-CB 3.9Å; L16-I22 HydrophobicContact CG-CG2 3.78Å; I22-L38 HydrophobicContact CD1-CB 4.44Å; I22-L38 HydrophobicContact CD1-CD2 3.84Å; I22-L38 HydrophobicContact CG1-CD2 4.4Å; I22-E39 WeakPolarHBondContact CA-O 3.17Å; I22-V40 HydrophobicContact CB-CG2 4.05Å; I22-V40 HydrophobicContact CD1-CG2 3.86Å; I22-V40 HydrophobicContact CG1-CG2 3.82Å; I22-M68 HydrophobicContact CG2-CE 3.83Å; I22-M68 HydrophobicContact CG2-SD 4.23Å; I22-M68 WeakPolarHBondContact O-CE 3.27Å; I22-V70 HydrophobicContact CG2-CG2 4.15Å; I22-L82 HydrophobicContact CD1-CD1 3.41Å; I22-L82 VanDerWaalsContact CD1-CD1 3.41Å; I22-L82 HydrophobicContact CD1-CD2 4.14Å; I22-L82 HydrophobicContact CD1-CG 4.45Å; I22-F144 HydrophobicContact CD1-CE1 4.12Å
23V95.4Very high86Confident1 Ų157.2 Ų57.21%0.00634%0.337CS..EExtended strand (participates in β ladder)trans-118.4141.6172.6-60.60000108.8W4 T6 F8 M10 G12 V13 L38 E39 Y41W4-V23 HydrophobicContact CH2-CG1 4.24Å; W4-V23 HydrophobicContact CH2-CG2 4.07Å; W4-V23 HydrophobicContact CZ3-CG1 4.12Å; T6-V23 HydrophobicContact CG2-CG2 3.93Å; F8-V23 HydrophobicContact CZ-CG2 4Å; M10-V23 HydrophobicContact CG-CB 4.47Å; M10-V23 HydrophobicContact SD-CB 4.27Å; M10-V23 HydrophobicContact SD-CG1 3.97Å; G12-V23 WeakPolarHBondContact O-CA 3.34Å; V13-V23 HydrophobicContact CG1-CG1 4.15Å; V13-V23 HydrophobicContact CG2-CG1 4.07Å; V23-L38 VanDerWaalsContact O-CA 3.3Å; V23-L38 WeakPolarHBondContact O-CA 3.4Å; V23-E39 HydrophobicContact CG2-CB 3.87Å; V23-E39 WeakPolarHBondContact CG2-O 3.27Å; V23-E39 PolarHBondContact N-O 2.72Å; V23-E39 PolarHBondContact O-N 2.82Å; V23-Y41 HydrophobicContact CG2-CD2 4.21Å; V23-Y41 HydrophobicContact CG2-CE2 3.8Å
24A94.3Very high85.6Confident0 Ų055.7 Ų55.70%033%0.327CS..EExtended strand (participates in β ladder)trans-137.3143.417900000109.9Y11 G12 L38 T65 M68Y11-A24 PolarHBondContact N-O 3.27Å; G12-A24 PolarHBondContact N-O 2.87Å; G12-A24 PolarHBondContact O-N 3.48Å; A24-L38 HydrophobicContact CB-CD2 3.71Å; A24-L38 HydrophobicContact CB-CG 3.72Å; A24-T65 HydrophobicContact CB-CG2 3.71Å; A24-M68 HydrophobicContact CB-CE 4.35Å; A24-M68 HydrophobicContact CB-SD 3.54Å; A24-M68 VanDerWaalsContact CB-SD 3.54Å
25G92.5Very high85.2Confident0 Ų054.4 Ų54.40%033%0.325CS..EExtended strand (participates in β ladder)trans169-15417400000113.3P9 C37P9-G25 CarbonylContact O-C 3.44Å; P9-G25 VanDerWaalsContact O-CA 3.31Å; P9-G25 WeakPolarHBondContact O-CA 3.46Å; G25-C37 PolarHBondContact N-O 2.74Å; G25-C37 PolarHBondContact O-N 2.91Å; G25-C37 VanDerWaalsContact O-N 3.16Å
26G89.8Confident85.1Confident0 Ų051.8 Ų51.80%030%0.301CS..  trans157.6-177.9179.800000115.9P9 Y11 G28 P35 N36P9-G26 PolarHBondContact O-N 3.1Å; Y11-G26 WeakPolarHBondContact CE2-O 3.29Å; Y11-G26 PolarHBondContact OH-O 3.13Å; Y11-G26 VanDerWaalsContact OH-O 3.06Å; G26-G28 VanDerWaalsContact C-N 3.34Å; G26-P35 WeakPolarHBondContact CA-O 3.33Å; G26-N36 VanDerWaalsContact CA-OD1 3.23Å; G26-N36 WeakPolarHBondContact CA-OD1 3.45Å
27G86Confident85.2Confident15 Ų1551.8 Ų51.816%0.15530%0.301CS..  trans-83.1-5.9178.500000114.9S30 N36G27-S30 PolarHBondContact O-OG 3.44Å; G27-N36 PolarHBondContact N-OD1 3.37Å
28G81.7Confident85.6Confident13 Ų1349.8 Ų49.813%0.13428%0.281CS..  trans80.4-158.7-173.700000112.4G26 N36G26-G28 VanDerWaalsContact C-N 3.34Å; G28-N36 PolarHBondContact N-OD1 2.9Å; G28-N36 VanDerWaalsContact N-OD1 3.08Å; G28-N36 PolarHBondContact O-ND2 2.84Å; G28-N36 VanDerWaalsContact O-ND2 3.15Å
29H72.3Confident86.1Confident106 Ų10641.6 Ų41.649%0.49124%0.243SC..SBendtrans-77.7-22.6179.1-164.975.8000113.5K31 N89H29-K31 PolarHBondContact O-N 2.75Å; H29-K31 VanDerWaalsContact O-N 3.08Å; H29-N89 PolarHBondContact CE1-OD1 3.49Å; H29-N89 PolarHBondContact ND1-OD1 3.17Å
30S66.6Low86.4Confident83 Ų8336.3 Ų36.358%0.5822%0.218SC*.SBendtrans-60.1115.7174.317.40000107.9G27 S32G27-S30 PolarHBondContact O-OG 3.44Å; S30-S32 PolarHBondContact O-N 3.21Å; S30-S32 PolarHBondContact O-OG 3.47Å
31K65.3Low86.5Confident207 Ų20734.8 Ų34.890%0.921%0.211SC*.  trans-63.953.3176.9-63.5178.7178.9176.10112.2H29 G33H29-K31 PolarHBondContact O-N 2.75Å; H29-K31 VanDerWaalsContact O-N 3.08Å; K31-G33 PolarHBondContact O-N 3.4Å
32S72.7Confident86.3Confident72 Ų7232.6 Ų32.650%0.50320%0.201SC..SBendtrans-74.7-8-17655.80000112.8S30 V34S30-S32 PolarHBondContact O-N 3.21Å; S30-S32 PolarHBondContact O-OG 3.47Å; S32-V34 VanDerWaalsContact C-N 3.25Å; S32-V34 PolarHBondContact OG-N 2.8Å
33G80.8Confident86Confident74 Ų7436.5 Ų36.576%0.76322%0.221SC*.SBendtrans83.3-3.8-172.500000113.8K31K31-G33 PolarHBondContact O-N 3.4Å
34V86Confident85.5Confident51 Ų5139.6 Ų39.631%0.30924%0.236SC..PPolyproline II helixtrans-81.2125.4175-179.60000109.5F8 S32F8-V34 HydrophobicContact CB-CG1 3.63Å; S32-V34 VanDerWaalsContact C-N 3.25Å; S32-V34 PolarHBondContact OG-N 2.8Å
35P87.5Confident84.9Confident34 Ų3447.8 Ų47.822%0.22127%0.268CS..PPolyproline II helixtrans-69.9145.1179.729.3-34.2000111.5G26G26-P35 WeakPolarHBondContact CA-O 3.33Å
36N90.8Very high84.3Confident12 Ų1249.3 Ų49.36%0.06428%0.28CS..PPolyproline II helixtrans-95.8117.4164.7-56.3-46.5000107.7G26 G27 G28 T60 G61 R63G26-N36 VanDerWaalsContact CA-OD1 3.23Å; G26-N36 WeakPolarHBondContact CA-OD1 3.45Å; G27-N36 PolarHBondContact N-OD1 3.37Å; G28-N36 PolarHBondContact N-OD1 2.9Å; G28-N36 VanDerWaalsContact N-OD1 3.08Å; G28-N36 PolarHBondContact O-ND2 2.84Å; G28-N36 VanDerWaalsContact O-ND2 3.15Å; N36-T60 VanDerWaalsContact CB-OG1 3.27Å; N36-T60 WeakPolarHBondContact CB-OG1 2.97Å; N36-T60 PolarHBondContact O-N 3.41Å; N36-T60 PolarHBondContact O-OG1 2.92Å; N36-G61 WeakPolarHBondContact CB-O 3.43Å; N36-G61 PolarHBondContact ND2-O 3.09Å; N36-R63 WeakPolarHBondContact CB-O 3.27Å
37C92.1Very high84Confident0 Ų056.6 Ų56.60%032%0.319CS..EExtended strand (participates in β ladder)trans-159.6168.5-175.459.10000113.1F8 G25 R57 M58F8-C37 VanDerWaalsContact CD1-SG 3.52Å; F8-C37 WeakPolarHBondContact CE1-SG 2.87Å; G25-C37 PolarHBondContact N-O 2.74Å; G25-C37 PolarHBondContact O-N 2.91Å; G25-C37 VanDerWaalsContact O-N 3.16Å; C37-R57 HydrophobicContact CB-CG 4.46Å; C37-M58 CarbonylContact C-O 3.52Å; C37-M58 WeakPolarHBondContact CA-O 3.37Å; C37-M58 WeakPolarHBondContact CB-O 3.41Å
38L93.7Very high83.7Confident0 Ų064.7 Ų64.70%035%0.35CS..EExtended strand (participates in β ladder)trans-112.6141163.9-6595000109.1I22 V23 A24 R57 M58 T60 L82 L84 F144I22-L38 HydrophobicContact CD1-CB 4.44Å; I22-L38 HydrophobicContact CD1-CD2 3.84Å; I22-L38 HydrophobicContact CG1-CD2 4.4Å; V23-L38 VanDerWaalsContact O-CA 3.3Å; V23-L38 WeakPolarHBondContact O-CA 3.4Å; A24-L38 HydrophobicContact CB-CD2 3.71Å; A24-L38 HydrophobicContact CB-CG 3.72Å; L38-R57 CarbonylContact O-C 3.51Å; L38-R57 VanDerWaalsContact O-CA 3.25Å; L38-R57 WeakPolarHBondContact O-CA 3.38Å; L38-M58 HydrophobicContact CD1-CE 3.53Å; L38-M58 HydrophobicContact CG-CE 4.48Å; L38-M58 PolarHBondContact N-O 2.85Å; L38-M58 PolarHBondContact O-N 3.34Å; L38-T60 HydrophobicContact CD1-CG2 3.29Å; L38-L82 HydrophobicContact CD2-CD1 4.38Å; L38-L84 HydrophobicContact CD1-CD1 3.66Å; L38-L84 HydrophobicContact CD2-CD1 3.64Å; L38-L84 HydrophobicContact CD2-CD2 3.48Å; L38-L84 VanDerWaalsContact CD2-CD2 3.48Å; L38-L84 HydrophobicContact CD2-CG 4.2Å; L38-L84 HydrophobicContact CG-CD1 4.33Å; L38-F144 HydrophobicContact CB-CE1 4.25Å; L38-F144 HydrophobicContact CB-CZ 4.4Å
39E94.3Very high83.8Confident1 Ų173.4 Ų73.41%0.00538%0.379CS..EExtended strand (participates in β ladder)trans-132135.9175.1-64.2-171.7139.900109.7F8 I22 V23 Y41 K54 G56 R57F8-E39 HydrophobicContact CE1-CG 4.03Å; F8-E39 WeakPolarHBondContact CE1-OE2 3.45Å; F8-E39 HydrophobicContact CZ-CG 4.21Å; I22-E39 WeakPolarHBondContact CA-O 3.17Å; V23-E39 HydrophobicContact CG2-CB 3.87Å; V23-E39 WeakPolarHBondContact CG2-O 3.27Å; V23-E39 PolarHBondContact N-O 2.72Å; V23-E39 PolarHBondContact O-N 2.82Å; E39-Y41 HydrophobicContact CB-CD2 4.33Å; E39-Y41 HydrophobicContact CB-CE2 3.49Å; E39-Y41 VanDerWaalsContact CB-CE2 3.49Å; E39-Y41 PolarHBondContact OE2-OH 2.95Å; E39-K54 WeakPolarHBondContact OE1-CE 3.32Å; E39-K54 IonicContact OE1-NZ 2.71Å; E39-K54 PolarHBondContact OE1-NZ 2.63Å; E39-K54 IonicContact OE2-NZ 3.52Å; E39-G56 WeakPolarHBondContact CA-O 3.25Å; E39-R57 HydrophobicContact CG-CB 4.3Å; E39-R57 HydrophobicContact CG-CG 4.08Å
40V93.8Very high84.5Confident0 Ų070.9 Ų70.90%037%0.372CS..EExtended strand (participates in β ladder)trans-108.3134.1176.1177.20000109.2L16 H20 I21 I22 L55 G56 V100 M142 F144L16-V40 HydrophobicContact CD1-CG1 3.91Å; L16-V40 HydrophobicContact CD1-CG2 3.82Å; H20-V40 HydrophobicContact CB-CG1 4.45Å; I21-V40 WeakPolarHBondContact O-CA 3.2Å; I22-V40 HydrophobicContact CB-CG2 4.05Å; I22-V40 HydrophobicContact CD1-CG2 3.86Å; I22-V40 HydrophobicContact CG1-CG2 3.82Å; V40-L55 HydrophobicContact CG1-CB 4.47Å; V40-L55 PolarHBondContact O-N 3.38Å; V40-G56 PolarHBondContact N-O 3.35Å; V40-G56 PolarHBondContact O-N 2.66Å; V40-V100 HydrophobicContact CG2-CG1 4.47Å; V40-M142 HydrophobicContact CB-SD 4.46Å; V40-M142 HydrophobicContact CG1-CG 4.32Å; V40-M142 HydrophobicContact CG1-SD 3.45Å; V40-M142 WeakPolarHBondContact CG1-SD 3.39Å; V40-F144 HydrophobicContact CG2-CE1 4.26Å; V40-F144 HydrophobicContact CG2-CE2 4.45Å; V40-F144 HydrophobicContact CG2-CZ 3.62Å
41Y92.2Very high85.4Confident12 Ų1273 Ų735%0.04737%0.368CS..EExtended strand (participates in β ladder)trans-123.1132.3-179.6-67.5-90.1000110.6W4 H20 I21 V23 E39 L52 T53 K54W4-Y41 AromaticContact CE2-CE1 3.94Å; W4-Y41 AromaticContact CE2-CZ 3.89Å; W4-Y41 AromaticContact CH2-CD2 3.91Å; W4-Y41 HydrophobicContact CH2-CD2 3.91Å; W4-Y41 HydrophobicContact CH2-CE1 4.36Å; W4-Y41 AromaticContact CH2-CE2 3.36Å; W4-Y41 HydrophobicContact CH2-CE2 3.36Å; W4-Y41 AromaticContact CH2-CZ 3.65Å; W4-Y41 HydrophobicContact CZ2-CD1 4.39Å; W4-Y41 HydrophobicContact CZ2-CD2 4.19Å; W4-Y41 AromaticContact CZ2-CE1 3.67Å; W4-Y41 HydrophobicContact CZ2-CE1 3.67Å; W4-Y41 AromaticContact CZ2-CE2 3.42Å; W4-Y41 HydrophobicContact CZ2-CE2 3.42Å; W4-Y41 VanDerWaalsContact CZ2-CE2 3.42Å; W4-Y41 AromaticContact CZ2-CZ 3.13Å; W4-Y41 WeakPolarHBondContact CZ2-OH 3.39Å; W4-Y41 HydrophobicContact CZ3-CE2 4.42Å; H20-Y41 CarbonylContact C-O 3.58Å; H20-Y41 VanDerWaalsContact CA-O 3.27Å; H20-Y41 WeakPolarHBondContact CA-O 3.48Å; I21-Y41 PolarHBondContact N-O 2.77Å; I21-Y41 PolarHBondContact O-N 2.84Å; V23-Y41 HydrophobicContact CG2-CD2 4.21Å; V23-Y41 HydrophobicContact CG2-CE2 3.8Å; E39-Y41 HydrophobicContact CB-CD2 4.33Å; E39-Y41 HydrophobicContact CB-CE2 3.49Å; E39-Y41 VanDerWaalsContact CB-CE2 3.49Å; E39-Y41 PolarHBondContact OE2-OH 2.95Å; Y41-L52 HydrophobicContact CD1-CB 4.28Å; Y41-T53 CarbonylContact C-O 3.54Å; Y41-T53 VanDerWaalsContact CA-O 3.28Å; Y41-T53 WeakPolarHBondContact CA-O 3.37Å; Y41-K54 HydrophobicContact CD1-CB 4.13Å; Y41-K54 HydrophobicContact CE1-CB 3.7Å; Y41-K54 HydrophobicContact CE1-CG 4.12Å; Y41-K54 VanDerWaalsContact OH-CE 3.27Å; Y41-K54 WeakPolarHBondContact OH-CE 3.46Å
42G89.8Confident86.5Confident4 Ų465 Ų654%0.04133%0.334CS..EExtended strand (participates in β ladder)trans-86.1135166.200000110.6L52 T53G42-L52 WeakPolarHBondContact O-CA 3.45Å; G42-T53 PolarHBondContact N-O 3.04Å; G42-T53 PolarHBondContact O-N 2.87Å
43L88.6Confident87.3Confident81 Ų8162.4 Ų62.442%0.42432%0.315SS..EExtended strand (participates in β ladder)trans-87.9109169.2-178.666.1000108.4I2 H19 P50 L52I2-L43 HydrophobicContact CD1-CD1 3.69Å; H19-L43 PolarHBondContact O-N 2.8Å; L43-P50 HydrophobicContact CD1-CB 4.25Å; L43-L52 HydrophobicContact CB-CD2 4.34Å; L43-L52 HydrophobicContact CD1-CD2 4.13Å
44E84.6Confident87.7Confident66 Ų6662.6 Ų62.631%0.30830%0.295SS..EExtended strand (participates in β ladder)trans-105.6144.2175.1-67.7169.6-153.900109.6P50 R51 T53E44-P50 CarbonylContact O-C 3.5Å; E44-P50 WeakPolarHBondContact O-CA 3.42Å; E44-R51 PolarHBondContact N-O 3.41Å; E44-R51 PolarHBondContact O-N 2.84Å; E44-R51 IonicContact OE2-CZ 3.18Å; E44-R51 IonicContact OE2-NE 2.78Å; E44-R51 PolarHBondContact OE2-NE 2.98Å; E44-R51 IonicContact OE2-NH2 3.4Å; E44-R51 PolarHBondContact OE2-NH2 3.1Å; E44-T53 WeakPolarHBondContact OE1-CB 3.24Å; E44-T53 PolarHBondContact OE1-OG1 3.45Å; E44-T53 PolarHBondContact OE2-OG1 2.84Å
45Y82.3Confident87.9Confident172 Ų17260.6 Ų60.668%0.67528%0.283SS*.EExtended strand (participates in β ladder)trans-111.3100.6170.8-161.2-96.2000108.8K48 P50Y45-K48 PolarHBondContact OH-O 3.4Å; Y45-P50 HydrophobicContact CD2-CB 3.94Å; Y45-P50 HydrophobicContact CE2-CB 4.31Å; Y45-P50 HydrophobicContact CE2-CG 4.48Å
46A79.1Confident88Confident32 Ų3259.1 Ų59.126%0.26427%0.274SS..EExtended strand (participates in β ladder)trans-124.1141.6-178.800000109.9K48 R49A46-K48 VanDerWaalsContact C-N 3.27Å; A46-K48 PolarHBondContact O-N 2.84Å; A46-K48 VanDerWaalsContact O-N 3.16Å; A46-R49 PolarHBondContact N-O 2.91Å; A46-R49 CarbonylContact O-C 3.6Å; A46-R49 PolarHBondContact O-N 3.01Å
47D82.9Confident88.1Confident154 Ų15460.9 Ų60.982%0.82428%0.28SS*.THydrogen-bonded Turntrans53.738175.5-52.4-39.8000114.7R49D47-R49 PolarHBondContact O-N 2.95Å; D47-R49 VanDerWaalsContact O-N 3.12Å
48K81.2Confident88Confident185 Ų18561.9 Ų61.980%0.80428%0.284SS*.THydrogen-bonded Turntrans6015.6-174.7-53.7178.4178.4178.70114.1Y45 A46Y45-K48 PolarHBondContact OH-O 3.4Å; A46-K48 VanDerWaalsContact C-N 3.27Å; A46-K48 PolarHBondContact O-N 2.84Å; A46-K48 VanDerWaalsContact O-N 3.16Å
49R83.2Confident87.9Confident195 Ų19565.3 Ų65.374%0.73630%0.303SS*.EExtended strand (participates in β ladder)trans-125.9126.9178-65.6-172.8-180-152.20.9110A46 D47A46-R49 PolarHBondContact N-O 2.91Å; A46-R49 CarbonylContact O-C 3.6Å; A46-R49 PolarHBondContact O-N 3.01Å; D47-R49 PolarHBondContact O-N 2.95Å; D47-R49 VanDerWaalsContact O-N 3.12Å
50P86.5Confident87.6Confident53 Ų5365.9 Ų65.934%0.34431%0.306SS..EExtended strand (participates in β ladder)trans-70.3137.4173.131.1-35.1000110I2 L43 E44 Y45I2-P50 HydrophobicContact CD1-CB 3.46Å; I2-P50 VanDerWaalsContact CD1-CB 3.46Å; I2-P50 HydrophobicContact CD1-CG 3.73Å; I2-P50 HydrophobicContact CG1-CB 3.81Å; I2-P50 HydrophobicContact CG1-CG 3.46Å; I2-P50 VanDerWaalsContact CG1-CG 3.46Å; L43-P50 HydrophobicContact CD1-CB 4.25Å; E44-P50 CarbonylContact O-C 3.5Å; E44-P50 WeakPolarHBondContact O-CA 3.42Å; Y45-P50 HydrophobicContact CD2-CB 3.94Å; Y45-P50 HydrophobicContact CE2-CB 4.31Å; Y45-P50 HydrophobicContact CE2-CG 4.48Å
51R85.9Confident87.2Confident129 Ų12968.5 Ų68.549%0.48733%0.333SS..EExtended strand (participates in β ladder)trans-130.5141.4-178.8-177.8175.269.5-162-0.4109.6E44E44-R51 PolarHBondContact N-O 3.41Å; E44-R51 PolarHBondContact O-N 2.84Å; E44-R51 IonicContact OE2-CZ 3.18Å; E44-R51 IonicContact OE2-NE 2.78Å; E44-R51 PolarHBondContact OE2-NE 2.98Å; E44-R51 IonicContact OE2-NH2 3.4Å; E44-R51 PolarHBondContact OE2-NH2 3.1Å
52L88.6Confident86.8Confident39 Ų3970.2 Ų70.220%0.20436%0.355CS..EExtended strand (participates in β ladder)trans-99.8126.6170.4-72.9167.4000109.5I2 W4 I21 Y41 G42 L43I2-L52 HydrophobicContact CD1-CG 4.47Å; I2-L52 HydrophobicContact CG2-CD1 4.28Å; W4-L52 HydrophobicContact CB-CD1 3.99Å; W4-L52 HydrophobicContact CD2-CD1 4.06Å; W4-L52 HydrophobicContact CE3-CD1 4.12Å; W4-L52 HydrophobicContact CG-CD1 3.98Å; I21-L52 HydrophobicContact CD1-CD1 4.32Å; I21-L52 HydrophobicContact CD1-CD2 4Å; I21-L52 HydrophobicContact CG1-CD2 4.38Å; Y41-L52 HydrophobicContact CD1-CB 4.28Å; G42-L52 WeakPolarHBondContact O-CA 3.45Å; L43-L52 HydrophobicContact CB-CD2 4.34Å; L43-L52 HydrophobicContact CD1-CD2 4.13Å
53T89.2Confident86.5Confident16 Ų1674.4 Ų74.410%0.09837%0.369CS..EExtended strand (participates in β ladder)trans-112.8126176.2-58.50000109.1Y41 G42 E44 L55Y41-T53 CarbonylContact C-O 3.54Å; Y41-T53 VanDerWaalsContact CA-O 3.28Å; Y41-T53 WeakPolarHBondContact CA-O 3.37Å; G42-T53 PolarHBondContact N-O 3.04Å; G42-T53 PolarHBondContact O-N 2.87Å; E44-T53 WeakPolarHBondContact OE1-CB 3.24Å; E44-T53 PolarHBondContact OE1-OG1 3.45Å; E44-T53 PolarHBondContact OE2-OG1 2.84Å; T53-L55 HydrophobicContact CG2-CD2 4.42Å; T53-L55 PolarHBondContact O-N 2.98Å
54K90.4Very high86.5Confident78 Ų7870.5 Ų70.534%0.33935%0.349SS..EExtended strand (participates in β ladder)trans-66125.1172.7-169.1-176-62.1-168.50109.4E39 Y41E39-K54 WeakPolarHBondContact OE1-CE 3.32Å; E39-K54 IonicContact OE1-NZ 2.71Å; E39-K54 PolarHBondContact OE1-NZ 2.63Å; E39-K54 IonicContact OE2-NZ 3.52Å; Y41-K54 HydrophobicContact CD1-CB 4.13Å; Y41-K54 HydrophobicContact CE1-CB 3.7Å; Y41-K54 HydrophobicContact CE1-CG 4.12Å; Y41-K54 VanDerWaalsContact OH-CE 3.27Å; Y41-K54 WeakPolarHBondContact OH-CE 3.46Å
55L90.1Very high86.8Confident9 Ų967.4 Ų67.45%0.04733%0.334CS..EExtended strand (participates in β ladder)trans-111.1-22.7-178.6-64.1-179000113.3H20 V40 T53 L105 L140 G141 M142H20-L55 WeakPolarHBondContact CD2-CD1 3.14Å; V40-L55 HydrophobicContact CG1-CB 4.47Å; V40-L55 PolarHBondContact O-N 3.38Å; T53-L55 HydrophobicContact CG2-CD2 4.42Å; T53-L55 PolarHBondContact O-N 2.98Å; L55-L105 WeakPolarHBondContact O-CD1 2.84Å; L55-L140 WeakPolarHBondContact CD2-O 3.38Å; L55-G141 CarbonylContact O-C 3.5Å; L55-G141 WeakPolarHBondContact O-CA 3.24Å; L55-M142 HydrophobicContact CB-CG 4.19Å; L55-M142 HydrophobicContact CD1-CG 4.38Å; L55-M142 PolarHBondContact O-N 3.06Å
56G89.3Confident87.2Confident4 Ų462 Ų624%0.04132%0.316CS..EExtended strand (participates in β ladder)trans-164.2155.8-178.700000111.7E39 V40E39-G56 WeakPolarHBondContact CA-O 3.25Å; V40-G56 PolarHBondContact N-O 3.35Å; V40-G56 PolarHBondContact O-N 2.66Å
57R91.8Very high87.9Confident48 Ų4861.4 Ų61.418%0.18131%0.309CS..EExtended strand (participates in β ladder)trans-143.9139.3173.3177.2176.3172.4171.22.6109.9C37 L38 E39 D59 E122C37-R57 HydrophobicContact CB-CG 4.46Å; L38-R57 CarbonylContact O-C 3.51Å; L38-R57 VanDerWaalsContact O-CA 3.25Å; L38-R57 WeakPolarHBondContact O-CA 3.38Å; E39-R57 HydrophobicContact CG-CB 4.3Å; E39-R57 HydrophobicContact CG-CG 4.08Å; R57-D59 IonicContact CZ-OD1 3.48Å; R57-D59 IonicContact NE-OD1 2.66Å; R57-D59 PolarHBondContact NE-OD1 2.88Å; R57-D59 IonicContact NH2-OD1 3.83Å; R57-D59 PolarHBondContact NH2-OD1 2.94Å; R57-E122 IonicContact NH1-OE2 3.83Å
58M91.5Very high88.5Confident21 Ų2154.4 Ų54.410%0.10327%0.271CS..EExtended strand (participates in β ladder)trans-129.1123.1169.9-177.3175.867.200109C37 L38 L84 V98 F144C37-M58 CarbonylContact C-O 3.52Å; C37-M58 WeakPolarHBondContact CA-O 3.37Å; C37-M58 WeakPolarHBondContact CB-O 3.41Å; L38-M58 HydrophobicContact CD1-CE 3.53Å; L38-M58 HydrophobicContact CG-CE 4.48Å; L38-M58 PolarHBondContact N-O 2.85Å; L38-M58 PolarHBondContact O-N 3.34Å; M58-L84 HydrophobicContact CE-CD1 3.69Å; M58-V98 HydrophobicContact CE-CB 4.45Å; M58-V98 HydrophobicContact CE-CG1 3.94Å; M58-V98 HydrophobicContact CE-CG2 4.07Å; M58-V98 HydrophobicContact SD-CG1 3.9Å; M58-F144 HydrophobicContact CB-CB 4.09Å; M58-F144 HydrophobicContact CB-CD1 3.91Å; M58-F144 HydrophobicContact CB-CD2 3.74Å; M58-F144 HydrophobicContact CB-CE1 4.2Å; M58-F144 HydrophobicContact CB-CE2 4.05Å; M58-F144 HydrophobicContact CB-CG 3.65Å; M58-F144 HydrophobicContact CB-CZ 4.25Å; M58-F144 HydrophobicContact CE-CD1 3.93Å; M58-F144 HydrophobicContact CE-CE1 4.48Å; M58-F144 HydrophobicContact CE-CG 4.48Å; M58-F144 HydrophobicContact CG-CB 4.19Å; M58-F144 HydrophobicContact CG-CG 4.27Å; M58-F144 HydrophobicContact SD-CB 3.52Å; M58-F144 VanDerWaalsContact SD-CB 3.52Å; M58-F144 HydrophobicContact SD-CD1 3.92Å; M58-F144 HydrophobicContact SD-CG 3.89Å
59D90.7Very high89.2Confident73 Ų7346.3 Ų46.339%0.3924%0.237SC..EExtended strand (participates in β ladder)trans-82.3130.9174.8-68.2-36.6000109.8R57 G61R57-D59 IonicContact CZ-OD1 3.48Å; R57-D59 IonicContact NE-OD1 2.66Å; R57-D59 PolarHBondContact NE-OD1 2.88Å; R57-D59 IonicContact NH2-OD1 3.83Å; R57-D59 PolarHBondContact NH2-OD1 2.94Å; D59-G61 VanDerWaalsContact C-N 3.34Å
60T88.7Confident89.7Confident12 Ų1238.2 Ų38.27%0.07421%0.209CC..  trans-98.615.8179.356.20000112.5N36 L38 G62 R63N36-T60 VanDerWaalsContact CB-OG1 3.27Å; N36-T60 WeakPolarHBondContact CB-OG1 2.97Å; N36-T60 PolarHBondContact O-N 3.41Å; N36-T60 PolarHBondContact O-OG1 2.92Å; L38-T60 HydrophobicContact CD1-CG2 3.29Å; T60-G62 PolarHBondContact O-N 3.3Å; T60-R63 VanDerWaalsContact CB-O 3.23Å; T60-R63 WeakPolarHBondContact CB-O 3.34Å; T60-R63 PolarHBondContact O-N 2.95Å; T60-R63 VanDerWaalsContact O-N 3.15Å; T60-R63 PolarHBondContact OG1-O 3.04Å
61G84.5Confident90.1Very high55 Ų5537.7 Ų37.757%0.56720%0.201SC*.THydrogen-bonded Turntrans60.3-125.5176.800000112.7N36 D59 R63N36-G61 WeakPolarHBondContact CB-O 3.43Å; N36-G61 PolarHBondContact ND2-O 3.09Å; D59-G61 VanDerWaalsContact C-N 3.34Å; G61-R63 VanDerWaalsContact C-N 3.27Å; G61-R63 PolarHBondContact O-N 2.89Å
62G83Confident90.4Very high48 Ų4834.1 Ų34.150%0.49519%0.193SC..THydrogen-bonded Turntrans-82.41.4-179.900000115T60T60-G62 PolarHBondContact O-N 3.3Å
63R85.3Confident90.2Very high92 Ų9234.6 Ų34.635%0.34720%0.196SC..  trans-110.1115.9-173.4-56.9-171.8-62.1-133.38.7109.9N36 T60 G61 Q86 D87 D96N36-R63 WeakPolarHBondContact CB-O 3.27Å; T60-R63 VanDerWaalsContact CB-O 3.23Å; T60-R63 WeakPolarHBondContact CB-O 3.34Å; T60-R63 PolarHBondContact O-N 2.95Å; T60-R63 VanDerWaalsContact O-N 3.15Å; T60-R63 PolarHBondContact OG1-O 3.04Å; G61-R63 VanDerWaalsContact C-N 3.27Å; G61-R63 PolarHBondContact O-N 2.89Å; R63-Q86 HydrophobicContact CB-CB 4.05Å; R63-Q86 HydrophobicContact CB-CG 4.38Å; R63-Q86 PolarHBondContact O-OE1 3.39Å; R63-D87 WeakPolarHBondContact CA-O 3.47Å; R63-D87 WeakPolarHBondContact CB-O 3.45Å; R63-D96 IonicContact CZ-OD2 2.59Å; R63-D96 IonicContact NE-OD2 3.3Å; R63-D96 IonicContact NH2-OD1 2.91Å; R63-D96 IonicContact NH2-OD2 2.84Å; R63-D96 PolarHBondContact NH2-OD2 3.3Å
64A87.9Confident89.8Confident0 Ų037.7 Ų37.70%021%0.212CC..  trans-79.3133.1175.300000110.1Y11 M66 Q86 D87Y11-A64 HydrophobicContact CE2-CB 4.27Å; A64-M66 HydrophobicContact CB-SD 4.08Å; A64-M66 PolarHBondContact O-N 3.44Å; A64-Q86 PolarHBondContact O-OE1 2.77Å; A64-D87 HydrophobicContact CB-CB 4.33Å; A64-D87 WeakPolarHBondContact O-CB 3.38Å; A64-D87 PolarHBondContact O-N 2.81Å
65T91.3Very high88.9Confident0 Ų039.2 Ų39.20%023%0.23CC..EExtended strand (participates in β ladder)trans-78.6106.5174.4-57.60000109.4Y11 A24 N67 L84 G85 Q86Y11-T65 WeakPolarHBondContact CB-O 3.45Å; Y11-T65 WeakPolarHBondContact CD2-O 3.48Å; A24-T65 HydrophobicContact CB-CG2 3.71Å; T65-N67 WeakPolarHBondContact CG2-O 3.31Å; T65-L84 HydrophobicContact CG2-CB 3.99Å; T65-L84 HydrophobicContact CG2-CD2 4.18Å; T65-G85 CarbonylContact C-O 3.59Å; T65-G85 WeakPolarHBondContact CA-O 3.33Å; T65-Q86 VanDerWaalsContact CA-OE1 3.3Å; T65-Q86 PolarHBondContact OG1-NE2 3.48Å; T65-Q86 PolarHBondContact OG1-OE1 3.26Å
66M91.2Very high88.2Confident60 Ų6045.4 Ų45.430%0.29627%0.268SS..EExtended strand (participates in β ladder)trans-89.2-23.9-172.4-62.9-55.6-66.500113.4Y11 A64 G85 D87Y11-M66 HydrophobicContact CD1-CE 4.32Å; Y11-M66 HydrophobicContact CD2-CE 4.23Å; Y11-M66 HydrophobicContact CD2-SD 3.54Å; Y11-M66 VanDerWaalsContact CD2-SD 3.54Å; Y11-M66 HydrophobicContact CE1-CE 4.35Å; Y11-M66 HydrophobicContact CE2-CE 4.28Å; Y11-M66 HydrophobicContact CE2-SD 3.64Å; Y11-M66 HydrophobicContact CG-CE 4.27Å; Y11-M66 HydrophobicContact CG-SD 4.11Å; A64-M66 HydrophobicContact CB-SD 4.08Å; A64-M66 PolarHBondContact O-N 3.44Å; M66-G85 PolarHBondContact N-O 3.47Å; M66-D87 HydrophobicContact CG-CB 3.85Å; M66-D87 HydrophobicContact SD-CB 4.41Å
67N92.9Very high87.6Confident19 Ų1948.9 Ų48.910%0.10229%0.286CS..EExtended strand (participates in β ladder)trans-153.8160174.863.889.6000109.4T65 G85 Q165 K166T65-N67 WeakPolarHBondContact CG2-O 3.31Å; N67-G85 PolarHBondContact O-N 3.2Å; N67-Q165 PolarHBondContact ND2-NE2 3.07Å; N67-Q165 PolarHBondContact ND2-O 2.93Å; N67-Q165 PolarHBondContact OD1-NE2 2.83Å; N67-K166 PolarHBondContact ND2-O 2.96Å
68M94.8Very high87Confident6 Ų647.1 Ų47.13%0.0328%0.282CS..EExtended strand (participates in β ladder)trans-154.2159.1175.666.9-173.4-18000111.7G12 V13 K14 I22 A24 A83 L84G12-M68 WeakPolarHBondContact O-CE 3.3Å; V13-M68 VanDerWaalsContact C-CE 3.47Å; V13-M68 VanDerWaalsContact CA-CE 3.46Å; V13-M68 VanDerWaalsContact N-CE 3.34Å; K14-M68 HydrophobicContact CB-CE 3.81Å; K14-M68 WeakPolarHBondContact CE-O 3.27Å; K14-M68 HydrophobicContact CG-CE 3.65Å; K14-M68 HydrophobicContact CG-CG 4.07Å; K14-M68 VanDerWaalsContact N-CE 3.35Å; I22-M68 HydrophobicContact CG2-CE 3.83Å; I22-M68 HydrophobicContact CG2-SD 4.23Å; I22-M68 WeakPolarHBondContact O-CE 3.27Å; A24-M68 HydrophobicContact CB-CE 4.35Å; A24-M68 HydrophobicContact CB-SD 3.54Å; A24-M68 VanDerWaalsContact CB-SD 3.54Å; M68-A83 WeakPolarHBondContact CA-O 3.39Å; M68-L84 HydrophobicContact CB-CD2 3.76Å
69D96Very high86.9Confident16 Ų1648.4 Ų48.49%0.08629%0.289CS..EExtended strand (participates in β ladder)trans-136.3160.7162.8-157.939.7000111.3K14 L82 A83 V168 R169 F170K14-D69 IonicContact NZ-OD1 2.68Å; K14-D69 PolarHBondContact NZ-OD1 2.91Å; D69-L82 WeakPolarHBondContact O-CA 3.31Å; D69-A83 PolarHBondContact N-O 2.9Å; D69-A83 VanDerWaalsContact N-O 3.08Å; D69-A83 PolarHBondContact O-N 2.93Å; D69-V168 HydrophobicContact CB-CG1 3.88Å; D69-V168 WeakPolarHBondContact CB-O 3.48Å; D69-R169 VanDerWaalsContact OD2-CA 3.27Å; D69-R169 WeakPolarHBondContact OD2-CA 3.22Å; D69-F170 HydrophobicContact CB-CD2 4.09Å; D69-F170 HydrophobicContact CB-CE2 4.42Å; D69-F170 WeakPolarHBondContact O-CE2 3.4Å; D69-F170 PolarHBondContact OD2-N 2.85Å
70V95.3Very high87.1Confident25 Ų2545.3 Ų45.315%0.15227%0.273CS..EExtended strand (participates in β ladder)trans-129.7134.6-173.8-177.40000108.9K14 L16 I22 F80 L81 L82K14-V70 HydrophobicContact CB-CG2 3.64Å; K14-V70 HydrophobicContact CG-CG2 4Å; L16-V70 HydrophobicContact CD2-CB 4.14Å; L16-V70 HydrophobicContact CD2-CG1 3.27Å; L16-V70 HydrophobicContact CD2-CG2 3.8Å; I22-V70 HydrophobicContact CG2-CG2 4.15Å; V70-F80 HydrophobicContact CG1-CB 4.2Å; V70-F80 HydrophobicContact CG1-CD1 4.25Å; V70-L81 CarbonylContact C-O 3.51Å; V70-L81 WeakPolarHBondContact CA-O 3.18Å; V70-L82 HydrophobicContact CB-CD2 4.2Å; V70-L82 HydrophobicContact CG1-CD2 4Å; V70-L82 HydrophobicContact CG2-CD2 3.61Å
71F94.4Very high87.3Confident41 Ų4144.8 Ų44.818%0.1827%0.269CS..EExtended strand (participates in β ladder)trans-122138.5168-177.3-99.6000110.3L73 F80 L81 F170F71-L73 HydrophobicContact CD1-CD2 4.05Å; F71-L73 HydrophobicContact CE1-CD2 4.27Å; F71-F80 CarbonylContact O-C 3.48Å; F71-F80 WeakPolarHBondContact O-CA 3.23Å; F71-L81 HydrophobicContact CB-CB 4.32Å; F71-L81 PolarHBondContact N-O 3.39Å; F71-L81 PolarHBondContact O-N 2.87Å; F71-F170 HydrophobicContact CB-CB 3.77Å; F71-F170 HydrophobicContact CB-CD1 4.06Å; F71-F170 HydrophobicContact CB-CD2 3.61Å; F71-F170 HydrophobicContact CB-CE2 4.15Å; F71-F170 HydrophobicContact CB-CG 3.55Å; F71-F170 HydrophobicContact CD2-CB 4.04Å; F71-F170 HydrophobicContact CG-CB 4.21Å; F71-F170 HydrophobicContact CG-CG 4.35Å
72T91.3Very high87.8Confident54 Ų5442.2 Ų42.233%0.33124%0.242SC..EExtended strand (participates in β ladder)trans-87.2112.4175.1-56.20000108.1P75 F80T72-P75 HydrophobicContact CG2-CB 4.29Å; T72-P75 HydrophobicContact CG2-CG 4.02Å; T72-F80 HydrophobicContact CG2-CD1 4.17Å; T72-F80 HydrophobicContact CG2-CE1 3.93Å
73L85.9Confident88.3Confident49 Ų4939.9 Ų39.926%0.25722%0.219SC..EExtended strand (participates in β ladder)trans-71.6-57.3179.7-69.5169000110.3F71 N79 L81 T99 Y191F71-L73 HydrophobicContact CD1-CD2 4.05Å; F71-L73 HydrophobicContact CE1-CD2 4.27Å; L73-N79 HydrophobicContact CB-CB 4.44Å; L73-N79 WeakPolarHBondContact CB-O 3.35Å; L73-N79 PolarHBondContact N-O 3.05Å; L73-L81 HydrophobicContact CD1-CB 4.07Å; L73-L81 HydrophobicContact CD2-CB 4.11Å; L73-L81 HydrophobicContact CD2-CD2 4.37Å; L73-L81 HydrophobicContact CG-CB 3.92Å; L73-T99 HydrophobicContact CD1-CG2 4.22Å; L73-Y191 HydrophobicContact CD2-CE1 3.93Å; L73-Y191 WeakPolarHBondContact CD2-OH 3.37Å
74N78.8Confident88.7Confident81 Ų8135.5 Ų35.543%0.43320%0.202SC..EExtended strand (participates in β ladder)trans-129.7111.1177.6-75.3-15.9000108.3V76 D77 G78 N79N74-V76 PolarHBondContact O-N 2.94Å; N74-D77 HydrophobicContact CB-CB 3.97Å; N74-D77 WeakPolarHBondContact CB-OD2 3.33Å; N74-D77 PolarHBondContact ND2-OD2 3.2Å; N74-D77 PolarHBondContact O-N 3.33Å; N74-G78 PolarHBondContact O-N 3.16Å; N74-N79 PolarHBondContact N-O 3.18Å; N74-N79 PolarHBondContact O-N 2.93Å
75P72.5Confident88.9Confident111 Ų11135.6 Ų35.672%0.72120%0.203SC*.THydrogen-bonded Turntrans-59.6-31.3177.1-2433.2000112.9T72T72-P75 HydrophobicContact CG2-CB 4.29Å; T72-P75 HydrophobicContact CG2-CG 4.02Å
76V76.2Confident88.7Confident138 Ų13835.8 Ų35.884%0.83620%0.204SC*.THydrogen-bonded Turntrans-73.3-44.4-178.3-177.10000111.8N74 G78N74-V76 PolarHBondContact O-N 2.94Å; V76-G78 VanDerWaalsContact C-N 3.3Å; V76-G78 PolarHBondContact O-N 3.48Å
77D75.1Confident88.2Confident78 Ų7835.6 Ų35.642%0.41720%0.204SC..THydrogen-bonded Turntrans-78.9-17.2-177-59-31.7000112.6N74 N79 N102N74-D77 HydrophobicContact CB-CB 3.97Å; N74-D77 WeakPolarHBondContact CB-OD2 3.33Å; N74-D77 PolarHBondContact ND2-OD2 3.2Å; N74-D77 PolarHBondContact O-N 3.33Å; D77-N79 VanDerWaalsContact C-N 3.31Å; D77-N79 HydrophobicContact CB-CB 4.4Å; D77-N79 WeakPolarHBondContact CB-ND2 3.39Å; D77-N102 PolarHBondContact O-ND2 3.08Å
78G80.4Confident86.8Confident11 Ų1135.7 Ų35.711%0.11321%0.209CC..THydrogen-bonded Turntrans68.332.6-171.300000112.4N74 V76 F80N74-G78 PolarHBondContact O-N 3.16Å; V76-G78 VanDerWaalsContact C-N 3.3Å; V76-G78 PolarHBondContact O-N 3.48Å; G78-F80 VanDerWaalsContact O-CD2 3.27Å; G78-F80 WeakPolarHBondContact O-CD2 3.37Å; G78-F80 WeakPolarHBondContact O-CE2 3.4Å
79N89.7Confident85.1Confident47 Ų4740.3 Ų40.325%0.25123%0.234SC..EExtended strand (participates in β ladder)trans-94.3125.5177.3-70-23.3000110.2L73 N74 D77 V100 S101L73-N79 HydrophobicContact CB-CB 4.44Å; L73-N79 WeakPolarHBondContact CB-O 3.35Å; L73-N79 PolarHBondContact N-O 3.05Å; N74-N79 PolarHBondContact N-O 3.18Å; N74-N79 PolarHBondContact O-N 2.93Å; D77-N79 VanDerWaalsContact C-N 3.31Å; D77-N79 HydrophobicContact CB-CB 4.4Å; D77-N79 WeakPolarHBondContact CB-ND2 3.39Å; N79-V100 WeakPolarHBondContact CA-O 3.49Å; N79-S101 WeakPolarHBondContact OD1-CA 3.22Å; N79-S101 WeakPolarHBondContact OD1-CB 3.45Å
80F93Very high82.9Confident9 Ų946 Ų464%0.03926%0.258CS..EExtended strand (participates in β ladder)trans-118.6147.8-179.1-53.4-82.4000110.4L16 V70 F71 T72 G78 T99 V100 M142L16-F80 HydrophobicContact CB-CD2 4.39Å; L16-F80 HydrophobicContact CB-CE1 4.4Å; L16-F80 HydrophobicContact CB-CE2 4.21Å; L16-F80 HydrophobicContact CB-CZ 4.22Å; L16-F80 HydrophobicContact CD2-CB 4.23Å; L16-F80 HydrophobicContact CD2-CD1 4.3Å; L16-F80 HydrophobicContact CD2-CD2 4.5Å; L16-F80 HydrophobicContact CD2-CG 4.08Å; V70-F80 HydrophobicContact CG1-CB 4.2Å; V70-F80 HydrophobicContact CG1-CD1 4.25Å; F71-F80 CarbonylContact O-C 3.48Å; F71-F80 WeakPolarHBondContact O-CA 3.23Å; T72-F80 HydrophobicContact CG2-CD1 4.17Å; T72-F80 HydrophobicContact CG2-CE1 3.93Å; G78-F80 VanDerWaalsContact O-CD2 3.27Å; G78-F80 WeakPolarHBondContact O-CD2 3.37Å; G78-F80 WeakPolarHBondContact O-CE2 3.4Å; F80-T99 CarbonylContact O-C 3.49Å; F80-T99 VanDerWaalsContact O-CA 3.22Å; F80-T99 WeakPolarHBondContact O-CA 3.2Å; F80-V100 HydrophobicContact CB-CB 4.39Å; F80-V100 PolarHBondContact N-O 3.16Å; F80-V100 PolarHBondContact O-N 3.34Å; F80-M142 HydrophobicContact CD2-CE 3.94Å; F80-M142 HydrophobicContact CE2-CE 3.82Å
81L93.9Very high80.8Confident1 Ų151.1 Ų51.11%0.00528%0.284CS..EExtended strand (participates in β ladder)trans-107.2130.5170.3-173.168.9000108.3V70 F71 L73 V97 T99 I147 F170 Y191V70-L81 CarbonylContact C-O 3.51Å; V70-L81 WeakPolarHBondContact CA-O 3.18Å; F71-L81 HydrophobicContact CB-CB 4.32Å; F71-L81 PolarHBondContact N-O 3.39Å; F71-L81 PolarHBondContact O-N 2.87Å; L73-L81 HydrophobicContact CD1-CB 4.07Å; L73-L81 HydrophobicContact CD2-CB 4.11Å; L73-L81 HydrophobicContact CD2-CD2 4.37Å; L73-L81 HydrophobicContact CG-CB 3.92Å; L81-V97 HydrophobicContact CD1-CG1 3.45Å; L81-V97 VanDerWaalsContact CD1-CG1 3.45Å; L81-V97 HydrophobicContact CD2-CG1 4.48Å; L81-V97 HydrophobicContact CG-CG1 4.08Å; L81-T99 HydrophobicContact CD1-CG2 4.16Å; L81-I147 HydrophobicContact CD1-CD1 3.44Å; L81-I147 VanDerWaalsContact CD1-CD1 3.44Å; L81-F170 HydrophobicContact CB-CZ 4.4Å; L81-F170 HydrophobicContact CD2-CD1 4.2Å; L81-F170 HydrophobicContact CD2-CE1 3.4Å; L81-F170 HydrophobicContact CD2-CZ 3.69Å; L81-F170 HydrophobicContact CG-CE1 3.99Å; L81-F170 HydrophobicContact CG-CZ 3.72Å; L81-Y191 HydrophobicContact CD1-CE2 4.13Å; L81-Y191 HydrophobicContact CD2-CD2 3.81Å; L81-Y191 HydrophobicContact CD2-CE1 4.21Å; L81-Y191 HydrophobicContact CD2-CE2 3.37Å; L81-Y191 HydrophobicContact CD2-CG 4.41Å; L81-Y191 HydrophobicContact CG-CE2 4.41Å
82L95Very high79.1Confident0 Ų054.9 Ų54.90%030%0.302CS..EExtended strand (participates in β ladder)trans-112.6138.1176.4-50.3-179.6000108.9L16 I22 L38 D69 V70 L84 V97 V98 V100 F144L16-L82 HydrophobicContact CD2-CD2 4.07Å; I22-L82 HydrophobicContact CD1-CD1 3.41Å; I22-L82 VanDerWaalsContact CD1-CD1 3.41Å; I22-L82 HydrophobicContact CD1-CD2 4.14Å; I22-L82 HydrophobicContact CD1-CG 4.45Å; L38-L82 HydrophobicContact CD2-CD1 4.38Å; D69-L82 WeakPolarHBondContact O-CA 3.31Å; V70-L82 HydrophobicContact CB-CD2 4.2Å; V70-L82 HydrophobicContact CG1-CD2 4Å; V70-L82 HydrophobicContact CG2-CD2 3.61Å; L82-L84 HydrophobicContact CB-CD2 3.84Å; L82-L84 HydrophobicContact CB-CG 4.19Å; L82-L84 HydrophobicContact CD1-CD2 4.3Å; L82-V97 CarbonylContact O-C 3.52Å; L82-V97 VanDerWaalsContact O-CA 3.28Å; L82-V97 WeakPolarHBondContact O-CA 3.38Å; L82-V98 HydrophobicContact CB-CB 4.38Å; L82-V98 WeakPolarHBondContact CB-O 3.45Å; L82-V98 PolarHBondContact N-O 3.36Å; L82-V98 PolarHBondContact O-N 3.36Å; L82-V100 HydrophobicContact CD1-CG2 3.34Å; L82-V100 HydrophobicContact CD2-CG2 4.37Å; L82-V100 HydrophobicContact CG-CG2 3.8Å; L82-F144 HydrophobicContact CD1-CD1 4.4Å; L82-F144 HydrophobicContact CD1-CE1 4.16Å
83A94.4Very high77.6Confident0 Ų052.3 Ų52.30%029%0.287CS..EExtended strand (participates in β ladder)trans-112.2117.6162.500000107.8M68 D69 Y95 V168 F170M68-A83 WeakPolarHBondContact CA-O 3.39Å; D69-A83 PolarHBondContact N-O 2.9Å; D69-A83 VanDerWaalsContact N-O 3.08Å; D69-A83 PolarHBondContact O-N 2.93Å; A83-Y95 HydrophobicContact CB-CD1 4.18Å; A83-V168 HydrophobicContact CB-CB 4.27Å; A83-V168 HydrophobicContact CB-CG1 3.73Å; A83-V168 HydrophobicContact CB-CG2 3.71Å; A83-F170 HydrophobicContact CB-CE1 4.41Å; A83-F170 HydrophobicContact CB-CE2 3.72Å; A83-F170 HydrophobicContact CB-CZ 3.52Å
84L92.9Very high77.4Confident0 Ų050.7 Ų50.70%028%0.278CS..EExtended strand (participates in β ladder)trans-111.7110.9-170.7-54.9-176.5000110.2L38 M58 T65 M68 L82 Q86 Y95 D96 V98L38-L84 HydrophobicContact CD1-CD1 3.66Å; L38-L84 HydrophobicContact CD2-CD1 3.64Å; L38-L84 HydrophobicContact CD2-CD2 3.48Å; L38-L84 VanDerWaalsContact CD2-CD2 3.48Å; L38-L84 HydrophobicContact CD2-CG 4.2Å; L38-L84 HydrophobicContact CG-CD1 4.33Å; M58-L84 HydrophobicContact CE-CD1 3.69Å; T65-L84 HydrophobicContact CG2-CB 3.99Å; T65-L84 HydrophobicContact CG2-CD2 4.18Å; M68-L84 HydrophobicContact CB-CD2 3.76Å; L82-L84 HydrophobicContact CB-CD2 3.84Å; L82-L84 HydrophobicContact CB-CG 4.19Å; L82-L84 HydrophobicContact CD1-CD2 4.3Å; L84-Q86 PolarHBondContact O-N 2.7Å; L84-Y95 VanDerWaalsContact O-CA 3.24Å; L84-Y95 WeakPolarHBondContact O-CA 3.45Å; L84-D96 HydrophobicContact CB-CB 4.34Å; L84-D96 WeakPolarHBondContact CB-O 3.45Å; L84-D96 PolarHBondContact N-O 2.83Å; L84-D96 PolarHBondContact O-N 2.78Å; L84-V98 HydrophobicContact CD1-CB 4.39Å; L84-V98 HydrophobicContact CD1-CG2 3.88Å
85G91.5Very high77.7Confident1 Ų146.9 Ų46.91%0.0126%0.258CS..EExtended strand (participates in β ladder)trans-78.3106.9176.100000111.1T65 M66 N67T65-G85 CarbonylContact C-O 3.59Å; T65-G85 WeakPolarHBondContact CA-O 3.33Å; M66-G85 PolarHBondContact N-O 3.47Å; N67-G85 PolarHBondContact O-N 3.2Å
86Q86.7Confident78.4Confident4 Ų441.8 Ų41.82%0.01923%0.225CC..EExtended strand (participates in β ladder)trans-93.4138.7-175.3-62.5-62.41.200111.6R63 A64 T65 L84 G88 N94 D96R63-Q86 HydrophobicContact CB-CB 4.05Å; R63-Q86 HydrophobicContact CB-CG 4.38Å; R63-Q86 PolarHBondContact O-OE1 3.39Å; A64-Q86 PolarHBondContact O-OE1 2.77Å; T65-Q86 VanDerWaalsContact CA-OE1 3.3Å; T65-Q86 PolarHBondContact OG1-NE2 3.48Å; T65-Q86 PolarHBondContact OG1-OE1 3.26Å; L84-Q86 PolarHBondContact O-N 2.7Å; Q86-G88 PolarHBondContact O-N 2.92Å; Q86-N94 PolarHBondContact N-O 3.44Å; Q86-D96 VanDerWaalsContact CG-OD2 3.26Å; Q86-D96 WeakPolarHBondContact CG-OD2 3.44Å; Q86-D96 PolarHBondContact NE2-OD2 2.98Å
87D81Confident79Confident57 Ų5735.2 Ų35.231%0.30519%0.185SC..  trans-66.9121.9162.7-165.421.9000108.8R63 A64 M66R63-D87 WeakPolarHBondContact CA-O 3.47Å; R63-D87 WeakPolarHBondContact CB-O 3.45Å; A64-D87 HydrophobicContact CB-CB 4.33Å; A64-D87 WeakPolarHBondContact O-CB 3.38Å; A64-D87 PolarHBondContact O-N 2.81Å; M66-D87 HydrophobicContact CG-CB 3.85Å; M66-D87 HydrophobicContact SD-CB 4.41Å
88G64.6Low79.7Confident20 Ų2031.5 Ų31.521%0.20617%0.165CC..  trans-113146.4-177.500000111.1Q86 F90 Q92Q86-G88 PolarHBondContact O-N 2.92Å; G88-F90 PolarHBondContact O-N 2.73Å; G88-Q92 WeakPolarHBondContact CA-O 3.35Å
89N57.7Low80.1Confident103 Ų10332.4 Ų32.455%0.55117%0.168SC*.  trans-61.7126161.9-77.3-7.5000107.9H29 L91 Q92H29-N89 PolarHBondContact CE1-OD1 3.49Å; H29-N89 PolarHBondContact ND1-OD1 3.17Å; N89-L91 PolarHBondContact O-N 2.82Å; N89-Q92 PolarHBondContact O-N 2.81Å
90F50.7Low80.1Confident135 Ų13530.2 Ų30.259%0.59216%0.156SC*.THydrogen-bonded Turntrans13.5-26.9166.5-68.2-86.5000121.8G88 G161 P163G88-F90 PolarHBondContact O-N 2.73Å; F90-G161 WeakPolarHBondContact CD1-O 3.4Å; F90-P163 VanDerWaalsContact O-CD 3.25Å; F90-P163 WeakPolarHBondContact O-CD 3.35Å
91L51.5Low79.8Confident133 Ų13331.5 Ų31.570%0.69617%0.166SC*.THydrogen-bonded Turntrans-105.6-22.1-174.7-61.1175.6000113.9N89 A157N89-L91 PolarHBondContact O-N 2.82Å; L91-A157 HydrophobicContact CD2-CB 4.17Å
92Q57.4Low79.3Confident120 Ų12035.1 Ų35.156%0.56119%0.186SC*.  trans-149.4105.3-178.7-64.5-176.3-1.300113G88 N89G88-Q92 WeakPolarHBondContact CA-O 3.35Å; N89-Q92 PolarHBondContact O-N 2.81Å
93S61.2Low78.2Confident1 Ų136 Ų361%0.00720%0.196CC..  trans-91.6117.7161.3169.70000108.5P163 Q165S93-P163 VanDerWaalsContact CB-C 3.47Å; S93-P163 WeakPolarHBondContact CB-O 3.39Å; S93-Q165 WeakPolarHBondContact OG-CB 3.26Å; S93-Q165 PolarHBondContact OG-N 3.28Å
94N81.5Confident76.9Confident15 Ų1539.8 Ų39.88%0.0822%0.218CC..EExtended strand (participates in β ladder)trans-125149.2-175-59.3-31.6000111.8Q86 T149 L150 Q151Q86-N94 PolarHBondContact N-O 3.44Å; N94-T149 HydrophobicContact CB-CG2 3.33Å; N94-T149 VanDerWaalsContact ND2-CG2 3.3Å; N94-T149 WeakPolarHBondContact ND2-CG2 3.5Å; N94-L150 CarbonylContact C-O 3.54Å; N94-L150 WeakPolarHBondContact CA-O 3.32Å; N94-L150 WeakPolarHBondContact CB-O 3.41Å; N94-Q151 WeakPolarHBondContact OD1-CA 3.21Å
95Y84.8Confident75.2Confident0 Ų040.9 Ų40.90%022%0.224CC..EExtended strand (participates in β ladder)trans-85.3131154.3-69.5-83.7000110.3A83 L84 T149 L150 T152 Q165 V167 V168 S179A83-Y95 HydrophobicContact CB-CD1 4.18Å; L84-Y95 VanDerWaalsContact O-CA 3.24Å; L84-Y95 WeakPolarHBondContact O-CA 3.45Å; Y95-T149 CarbonylContact O-C 3.56Å; Y95-T149 VanDerWaalsContact O-CA 3.27Å; Y95-T149 WeakPolarHBondContact O-CA 3.27Å; Y95-L150 PolarHBondContact N-O 2.96Å; Y95-L150 PolarHBondContact O-N 2.99Å; Y95-T152 HydrophobicContact CD2-CG2 3.31Å; Y95-T152 WeakPolarHBondContact CD2-OG1 3.44Å; Y95-T152 HydrophobicContact CE2-CG2 3.62Å; Y95-T152 WeakPolarHBondContact CE2-OG1 3.46Å; Y95-Q165 HydrophobicContact CD2-CG 4.18Å; Y95-Q165 HydrophobicContact CE1-CG 3.99Å; Y95-Q165 VanDerWaalsContact CE1-NE2 3.26Å; Y95-Q165 VanDerWaalsContact CE2-CD 3.48Å; Y95-Q165 HydrophobicContact CE2-CG 3.32Å; Y95-Q165 WeakPolarHBondContact OH-CG 3.31Å; Y95-Q165 PolarHBondContact OH-NE2 3.45Å; Y95-V167 PolarHBondContact OH-O 2.84Å; Y95-V168 HydrophobicContact CD1-CB 4.16Å; Y95-V168 HydrophobicContact CD1-CG1 3.94Å; Y95-V168 HydrophobicContact CE1-CB 3.3Å; Y95-V168 HydrophobicContact CE1-CG1 3.24Å; Y95-V168 HydrophobicContact CE1-CG2 4.2Å; Y95-V168 HydrophobicContact CE2-CB 4.38Å; Y95-V168 WeakPolarHBondContact OH-CA 3.32Å; Y95-V168 VanDerWaalsContact OH-CB 3.25Å; Y95-V168 WeakPolarHBondContact OH-CB 3.17Å; Y95-V168 PolarHBondContact OH-N 2.7Å; Y95-V168 VanDerWaalsContact OH-N 3.13Å; Y95-S179 VanDerWaalsContact CE2-CB 3.5Å; Y95-S179 WeakPolarHBondContact OH-CB 3.48Å
96D87.2Confident73.4Confident5 Ų542.3 Ų42.33%0.02723%0.233CC..EExtended strand (participates in β ladder)trans-88.8118.4158.9-64.1-31.9000107.8R63 L84 Q86 V98 T149R63-D96 IonicContact CZ-OD2 2.59Å; R63-D96 IonicContact NE-OD2 3.3Å; R63-D96 IonicContact NH2-OD1 2.91Å; R63-D96 IonicContact NH2-OD2 2.84Å; R63-D96 PolarHBondContact NH2-OD2 3.3Å; L84-D96 HydrophobicContact CB-CB 4.34Å; L84-D96 WeakPolarHBondContact CB-O 3.45Å; L84-D96 PolarHBondContact N-O 2.83Å; L84-D96 PolarHBondContact O-N 2.78Å; Q86-D96 VanDerWaalsContact CG-OD2 3.26Å; Q86-D96 WeakPolarHBondContact CG-OD2 3.44Å; Q86-D96 PolarHBondContact NE2-OD2 2.98Å; D96-V98 HydrophobicContact CB-CG2 4.13Å; D96-T149 WeakPolarHBondContact OD1-CB 3.49Å; D96-T149 VanDerWaalsContact OD1-CG2 3.31Å; D96-T149 WeakPolarHBondContact OD1-CG2 3.46Å; D96-T149 PolarHBondContact OD1-OG1 3.01Å
97V89.5Confident71.7Confident0 Ų046.9 Ų46.90%025%0.254CS..EExtended strand (participates in β ladder)trans-90.3118.9170.8-1770000107.8L81 L82 I147 K148 L150 F194L81-V97 HydrophobicContact CD1-CG1 3.45Å; L81-V97 VanDerWaalsContact CD1-CG1 3.45Å; L81-V97 HydrophobicContact CD2-CG1 4.48Å; L81-V97 HydrophobicContact CG-CG1 4.08Å; L82-V97 CarbonylContact O-C 3.52Å; L82-V97 VanDerWaalsContact O-CA 3.28Å; L82-V97 WeakPolarHBondContact O-CA 3.38Å; V97-I147 HydrophobicContact CG1-CB 4.44Å; V97-I147 HydrophobicContact CG1-CD1 3.96Å; V97-I147 WeakPolarHBondContact O-CB 3.23Å; V97-I147 PolarHBondContact O-N 2.82Å; V97-K148 PolarHBondContact N-O 3.23Å; V97-K148 PolarHBondContact O-N 3.19Å; V97-L150 HydrophobicContact CG2-CD1 4.18Å; V97-F194 HydrophobicContact CB-CE1 4.1Å; V97-F194 HydrophobicContact CB-CZ 4.33Å; V97-F194 HydrophobicContact CG1-CE1 3.84Å; V97-F194 HydrophobicContact CG1-CZ 3.95Å; V97-F194 HydrophobicContact CG2-CD1 4.41Å; V97-F194 HydrophobicContact CG2-CE1 3.81Å
98V89.4Confident70Confident0 Ų047.2 Ų47.20%026%0.256CS..EExtended strand (participates in β ladder)trans-130.9135.5-170.4-179.20000109.2M58 L82 L84 D96 F144 S145 E146M58-V98 HydrophobicContact CE-CB 4.45Å; M58-V98 HydrophobicContact CE-CG1 3.94Å; M58-V98 HydrophobicContact CE-CG2 4.07Å; M58-V98 HydrophobicContact SD-CG1 3.9Å; L82-V98 HydrophobicContact CB-CB 4.38Å; L82-V98 WeakPolarHBondContact CB-O 3.45Å; L82-V98 PolarHBondContact N-O 3.36Å; L82-V98 PolarHBondContact O-N 3.36Å; L84-V98 HydrophobicContact CD1-CB 4.39Å; L84-V98 HydrophobicContact CD1-CG2 3.88Å; D96-V98 HydrophobicContact CB-CG2 4.13Å; V98-F144 HydrophobicContact CG1-CB 4.04Å; V98-F144 HydrophobicContact CG1-CD1 4.02Å; V98-S145 CarbonylContact C-O 3.53Å; V98-S145 WeakPolarHBondContact CA-O 3.39Å; V98-S145 WeakPolarHBondContact CG1-O 3.27Å; V98-E146 HydrophobicContact CG2-CG 4.22Å
99T89.3Confident68.8Low30 Ų3051 Ų5118%0.18427%0.271CS..EExtended strand (participates in β ladder)trans-89.1146.7167.357.20000111.2L73 F80 L81 F144 S145 I147L73-T99 HydrophobicContact CD1-CG2 4.22Å; F80-T99 CarbonylContact O-C 3.49Å; F80-T99 VanDerWaalsContact O-CA 3.22Å; F80-T99 WeakPolarHBondContact O-CA 3.2Å; L81-T99 HydrophobicContact CD1-CG2 4.16Å; T99-F144 CarbonylContact O-C 3.58Å; T99-F144 VanDerWaalsContact O-CA 3.31Å; T99-F144 WeakPolarHBondContact O-CA 3.23Å; T99-S145 PolarHBondContact N-O 2.64Å; T99-S145 PolarHBondContact O-N 3.33Å; T99-S145 WeakPolarHBondContact OG1-CB 3.46Å; T99-S145 PolarHBondContact OG1-O 3.15Å; T99-I147 HydrophobicContact CG2-CD1 3.33Å; T99-I147 HydrophobicContact CG2-CG1 3.94Å
100V88.3Confident67.7Low0 Ų052.7 Ų52.70%028%0.28CS..EExtended strand (participates in β ladder)trans-120.2120167.2-175.60000107.9L16 V40 N79 F80 L82 M142 A143 F144L16-V100 HydrophobicContact CD1-CG1 4.45Å; V40-V100 HydrophobicContact CG2-CG1 4.47Å; N79-V100 WeakPolarHBondContact CA-O 3.49Å; F80-V100 HydrophobicContact CB-CB 4.39Å; F80-V100 PolarHBondContact N-O 3.16Å; F80-V100 PolarHBondContact O-N 3.34Å; L82-V100 HydrophobicContact CD1-CG2 3.34Å; L82-V100 HydrophobicContact CD2-CG2 4.37Å; L82-V100 HydrophobicContact CG-CG2 3.8Å; V100-M142 HydrophobicContact CG1-CB 3.79Å; V100-M142 HydrophobicContact CG1-CE 3.61Å; V100-M142 HydrophobicContact CG1-CG 4.48Å; V100-M142 HydrophobicContact CG1-SD 4.07Å; V100-A143 WeakPolarHBondContact CA-O 2.97Å; V100-F144 HydrophobicContact CG2-CD1 3.52Å; V100-F144 HydrophobicContact CG2-CE1 3.55Å; V100-F144 HydrophobicContact CG2-CG 4.37Å; V100-F144 HydrophobicContact CG2-CZ 4.43Å
101S87.5Confident67.1Low36 Ų3650.7 Ų50.725%0.25228%0.275SS..EExtended strand (participates in β ladder)trans-124.2157.7179.156.40000111N79 G103 M142 A143N79-S101 WeakPolarHBondContact OD1-CA 3.22Å; N79-S101 WeakPolarHBondContact OD1-CB 3.45Å; S101-G103 PolarHBondContact O-N 3.06Å; S101-M142 CarbonylContact O-C 3.55Å; S101-M142 VanDerWaalsContact O-CA 3.29Å; S101-M142 WeakPolarHBondContact O-CA 3.28Å; S101-A143 PolarHBondContact N-O 3.25Å; S101-A143 PolarHBondContact O-N 3.49Å
102N82.6Confident66.1Low77 Ų7752.5 Ų52.541%0.41228%0.277SS..EExtended strand (participates in β ladder)trans-60.8134169.7-71.8-37.6000109.9D77D77-N102 PolarHBondContact O-ND2 3.08Å
103G73Confident64.8Low20 Ų2056 Ų5621%0.20629%0.291CS..EExtended strand (participates in β ladder)trans-147.3176.3-18000000112.2S101 G141S101-G103 PolarHBondContact O-N 3.06Å; G103-G141 CarbonylContact C-O 3.54Å; G103-G141 PolarHBondContact N-O 2.71Å; G103-G141 CarbonylContact O-C 3.51Å; G103-G141 PolarHBondContact O-N 3.42Å
104V66.9Low63.2Low78 Ų7861.4 Ų61.447%0.47333%0.327SS..EExtended strand (participates in β ladder)trans-106.1121.7173.8-178.30000108.4R138V104-R138 HydrophobicContact CG1-CB 3.93Å; V104-R138 HydrophobicContact CG1-CG 4.18Å
105L57.3Low61Low24 Ų2465.6 Ų65.613%0.12635%0.346CS..EExtended strand (participates in β ladder)trans-79.2126.9167.2-77.3169000109.2L55 F126 K139L55-L105 WeakPolarHBondContact O-CD1 2.84Å; L105-F126 HydrophobicContact CD2-CE1 3.62Å; L105-F126 HydrophobicContact CD2-CE2 4.1Å; L105-F126 HydrophobicContact CD2-CZ 3.32Å; L105-F126 HydrophobicContact CG-CE1 4.39Å; L105-F126 HydrophobicContact CG-CZ 4.42Å; L105-K139 HydrophobicContact CB-CB 4.41Å; L105-K139 PolarHBondContact N-O 3.13Å; L105-K139 PolarHBondContact O-N 3.49Å; L105-K139 VanDerWaalsContact O-N 3.13Å
106V54.4Low58.5Low31 Ų3177.1 Ų77.119%0.18839%0.39CS..EExtended strand (participates in β ladder)trans-103.6107.3171-177.40000107.6N108 F136V106-N108 PolarHBondContact O-N 3.15Å; V106-F136 HydrophobicContact CG1-CB 3.96Å; V106-F136 HydrophobicContact CG1-CD1 3.3Å; V106-F136 HydrophobicContact CG1-CD2 3.9Å; V106-F136 HydrophobicContact CG1-CE1 3.68Å; V106-F136 HydrophobicContact CG1-CE2 4.15Å; V106-F136 HydrophobicContact CG1-CG 3.44Å; V106-F136 VanDerWaalsContact CG1-CG 3.44Å; V106-F136 HydrophobicContact CG1-CZ 4.07Å
107E49.6Very low55.7Low99 Ų9988.6 Ų88.646%0.46343%0.433SS..  trans-79.3106.9172.5-76.2-174.4174.900109.8N109E107-N109 PolarHBondContact O-N 3.46Å
108N45.8Very low52.9Low65 Ų6592.9 Ų92.935%0.34848%0.477SS..  trans-73.2100.8166.6-79-8.1000109.2V106 D110 L111 F136V106-N108 PolarHBondContact O-N 3.15Å; N108-D110 PolarHBondContact O-N 2.94Å; N108-L111 HydrophobicContact CB-CD1 3.87Å; N108-F136 WeakPolarHBondContact OD1-CE1 3.37Å
109N39.9Very low50Low98 Ų9896.9 Ų96.952%0.52451%0.505SS..G310 helixtrans-63.6-18.5174.8-87.6-31.2000113.6E107 L111E107-N109 PolarHBondContact O-N 3.46Å; N109-L111 PolarHBondContact O-N 3.29Å
110D34.3Very low47.2Very low140 Ų140102.8 Ų102.875%0.74953%0.529SS*.G310 helixtrans-80.9-12.1-176.6-69.7-39.8000115.2N108 K112 K113N108-D110 PolarHBondContact O-N 2.94Å; D110-K112 VanDerWaalsContact C-N 3.28Å; D110-K112 PolarHBondContact O-N 2.65Å; D110-K113 PolarHBondContact O-N 3.08Å
111L38.2Very low44.4Very low92 Ų92112.3 Ų112.348%0.48257%0.565SS.*G310 helixtrans-78.9-9.3177-81.3155000113.7N108 N109 K113N108-L111 HydrophobicContact CB-CD1 3.87Å; N109-L111 PolarHBondContact O-N 3.29Å; L111-K113 VanDerWaalsContact C-N 3.28Å; L111-K113 PolarHBondContact O-N 2.79Å
112K31.3Very low41.7Very low172 Ų172115.3 Ų115.375%0.74858%0.575SS**G310 helixtrans-73.4-14.5172.2-74.6-174.6179.1173.40113.7D110D110-K112 VanDerWaalsContact C-N 3.28Å; D110-K112 PolarHBondContact O-N 2.65Å
113K28.9Very low39.3Very low193 Ų193115.7 Ų115.784%0.83958%0.58SS**SBendtrans-90.2-16.8177.8-85-177.2177.5173.90114.9D110 L111D110-K113 PolarHBondContact O-N 3.08Å; L111-K113 VanDerWaalsContact C-N 3.28Å; L111-K113 PolarHBondContact O-N 2.79Å
114C28.6Very low37.7Very low115 Ų115117.3 Ų117.378%0.77759%0.588SS**SBendtrans-105.750.2175.9-73.60000111.9
115Q33.8Very low36Very low102 Ų102117.9 Ų117.948%0.47759%0.592SS.*  trans-124.965.2170.7-69.2-170.7900110.5
116R32Very low35.1Very low243 Ų243120.8 Ų120.892%0.91760%0.603SS**SBendtrans-123.869.8159-80.1-172.7176.6174.80108.9
117R29.6Very low34.1Very low245 Ų245122.3 Ų122.393%0.92562%0.616SS**SBendtrans169.7132.2152.1-96.8162177.9-172.7-0.8108.4S119R117-S119 PolarHBondContact O-N 3.33Å
118G30.1Very low33.6Very low91 Ų91123.7 Ų123.794%0.93864%0.636SS**SBendtrans-54.4106.1-166.300000114.8
119S29Very low32.9Very low84 Ų84125.3 Ų125.359%0.58765%0.649SS**  trans-165.5104.5148.31310000105.8R117 R121R117-S119 PolarHBondContact O-N 3.33Å; S119-R121 PolarHBondContact O-N 2.75Å
120F29.4Very low32.6Very low154 Ų154127.7 Ų127.768%0.67566%0.66SS**  trans-75.374.6176.5-136.9-89.2000108.2E122F120-E122 HydrophobicContact CD1-CG 4.14Å; F120-E122 HydrophobicContact CE1-CG 4Å
121R29.6Very low32.5Very low199 Ų199127.7 Ų127.775%0.75166%0.661SS**  trans-95.588.1166.8-87.6-175.1167.7-179.3-3.4107.7S119 T123S119-R121 PolarHBondContact O-N 2.75Å; R121-T123 PolarHBondContact O-N 2.97Å
122E32.3Very low32.5Very low99 Ų99131.9 Ų131.946%0.46368%0.678SS.*  trans-72.172.5159.7-75.9-177.5160.500108R57 F120 S124R57-E122 IonicContact NH1-OE2 3.83Å; F120-E122 HydrophobicContact CD1-CG 4.14Å; F120-E122 HydrophobicContact CE1-CG 4Å; E122-S124 PolarHBondContact O-N 2.88Å
123T31Very low32.7Very low86 Ų86134.9 Ų134.953%0.52868%0.684SS.*  trans-87.687.8165.8-480000106.4R121 T125R121-T123 PolarHBondContact O-N 2.97Å; T123-T125 PolarHBondContact O-N 2.79Å
124S38.7Very low33.3Very low54 Ų54129.3 Ų129.338%0.37867%0.67SS.*  trans-58.2106.6160.750.50000106.8E122 F126E122-S124 PolarHBondContact O-N 2.88Å; S124-F126 VanDerWaalsContact O-CD2 3.24Å; S124-F126 WeakPolarHBondContact O-CD2 3.41Å; S124-F126 PolarHBondContact O-N 3.23Å; S124-F126 WeakPolarHBondContact OG-CE2 3.2Å
125T31.5Very low34Very low89 Ų89132 Ų13255%0.54668%0.677SS.*  trans-70.4102.9-179.1-43.20000108.2T123T123-T125 PolarHBondContact O-N 2.79Å
126F39.4Very low34.7Very low85 Ų85130.8 Ų130.837%0.37367%0.67SS.*  trans-74127.2176.2-79.7-91.9000109.8L105 S124 A143L105-F126 HydrophobicContact CD2-CE1 3.62Å; L105-F126 HydrophobicContact CD2-CE2 4.1Å; L105-F126 HydrophobicContact CD2-CZ 3.32Å; L105-F126 HydrophobicContact CG-CE1 4.39Å; L105-F126 HydrophobicContact CG-CZ 4.42Å; S124-F126 VanDerWaalsContact O-CD2 3.24Å; S124-F126 WeakPolarHBondContact O-CD2 3.41Å; S124-F126 PolarHBondContact O-N 3.23Å; S124-F126 WeakPolarHBondContact OG-CE2 3.2Å; F126-A143 HydrophobicContact CD1-CB 4.31Å; F126-A143 HydrophobicContact CE1-CB 4.11Å
127S33.3Very low35.7Very low64 Ų64126.8 Ų126.845%0.44866%0.659SS.*  trans-119.6123171.4173.60000108.4T129S127-T129 VanDerWaalsContact C-N 3.26Å; S127-T129 PolarHBondContact OG-N 2.89Å; S127-T129 VanDerWaalsContact OG-N 3.1Å; S127-T129 PolarHBondContact OG-O 2.83Å; S127-T129 PolarHBondContact OG-OG1 2.9Å
128S39Very low36.8Very low128 Ų128123.2 Ų123.290%0.89565%0.646SS**  trans-82.1-5.8166.156.60000112.5
129T30.9Very low38.6Very low98 Ų98122.7 Ų122.760%0.60162%0.618SS**SBendtrans-95.7123-179.449.70000111.3S127 N131S127-T129 VanDerWaalsContact C-N 3.26Å; S127-T129 PolarHBondContact OG-N 2.89Å; S127-T129 VanDerWaalsContact OG-N 3.1Å; S127-T129 PolarHBondContact OG-O 2.83Å; S127-T129 PolarHBondContact OG-OG1 2.9Å; T129-N131 PolarHBondContact O-N 2.82Å; T129-N131 VanDerWaalsContact O-N 3.09Å
130L33.1Very low40.9Very low148 Ų148124.1 Ų124.178%0.77562%0.618SS**  trans-70.591.4175.5-70162.1000109.6
131N33.2Very low43.5Very low141 Ų141116.8 Ų116.875%0.75459%0.586SS**  trans-96.9116.4163.6-88-10.9000109.5T129 R133T129-N131 PolarHBondContact O-N 2.82Å; T129-N131 VanDerWaalsContact O-N 3.09Å; N131-R133 VanDerWaalsContact C-N 3.28Å; N131-R133 PolarHBondContact O-N 2.88Å; N131-R133 VanDerWaalsContact O-N 3.1Å
132E38.6Very low46.3Very low180 Ų180107.4 Ų107.484%0.84155%0.551SS**  trans-76.721.1-169.4-91.1-172.9162.400116.5
133R35.8Very low49Very low234 Ų234103.8 Ų103.888%0.88354%0.538SS*.  trans-140.479.3-174.7-70.8-174.3178.2179.9-0.8114.1N131N131-R133 VanDerWaalsContact C-N 3.28Å; N131-R133 PolarHBondContact O-N 2.88Å; N131-R133 VanDerWaalsContact O-N 3.1Å
134S41.3Very low51.8Low77 Ų77101.5 Ų101.554%0.53852%0.52SS..SBendtrans-178.1150.2146.510.60000110.7F136S134-F136 WeakPolarHBondContact O-CD2 3.49Å; S134-F136 PolarHBondContact O-N 2.81Å; S134-F136 WeakPolarHBondContact OG-CE2 3.44Å; S134-F136 WeakPolarHBondContact OG-CZ 3.48Å
135D42.1Very low54.3Low172 Ų172102.1 Ų102.192%0.9253%0.525SS*.  trans-65.556.1-179.8-72.2-40.9000114K137D135-K137 PolarHBondContact O-N 2.73Å
136F49.7Very low57.1Low75 Ų75103.8 Ų103.833%0.32953%0.526SS..  trans-75.9122.8173.7-67.2-64.3000110.1V106 N108 S134 R138V106-F136 HydrophobicContact CG1-CB 3.96Å; V106-F136 HydrophobicContact CG1-CD1 3.3Å; V106-F136 HydrophobicContact CG1-CD2 3.9Å; V106-F136 HydrophobicContact CG1-CE1 3.68Å; V106-F136 HydrophobicContact CG1-CE2 4.15Å; V106-F136 HydrophobicContact CG1-CG 3.44Å; V106-F136 VanDerWaalsContact CG1-CG 3.44Å; V106-F136 HydrophobicContact CG1-CZ 4.07Å; N108-F136 WeakPolarHBondContact OD1-CE1 3.37Å; S134-F136 WeakPolarHBondContact O-CD2 3.49Å; S134-F136 PolarHBondContact O-N 2.81Å; S134-F136 WeakPolarHBondContact OG-CE2 3.44Å; S134-F136 WeakPolarHBondContact OG-CZ 3.48Å; F136-R138 VanDerWaalsContact C-N 3.31Å; F136-R138 PolarHBondContact O-N 2.82Å
137K51.6Low59.5Low159 Ų159103.2 Ų103.269%0.69153%0.527SS*.  trans-6696.1160.8-74.4-173.3178-178.20107.8D135 K139D135-K137 PolarHBondContact O-N 2.73Å; K137-K139 PolarHBondContact O-N 2.83Å
138R53.3Low62.2Low170 Ų170104.2 Ų104.264%0.64252%0.523SS*.EExtended strand (participates in β ladder)trans-68.3120.2173.7-64.9179.9-177.4-178.30.5108.2V104 F136V104-R138 HydrophobicContact CG1-CB 3.93Å; V104-R138 HydrophobicContact CG1-CG 4.18Å; F136-R138 VanDerWaalsContact C-N 3.31Å; F136-R138 PolarHBondContact O-N 2.82Å
139K68.9Low64.7Low81 Ų81101 Ų10135%0.35250%0.498SS..EExtended strand (participates in β ladder)trans-114.7141.6173.9-166-178.9178-172.90109.1L105 K137 G141L105-K139 HydrophobicContact CB-CB 4.41Å; L105-K139 PolarHBondContact N-O 3.13Å; L105-K139 PolarHBondContact O-N 3.49Å; L105-K139 VanDerWaalsContact O-N 3.13Å; K137-K139 PolarHBondContact O-N 2.83Å; K139-G141 PolarHBondContact O-N 3.5Å
140L76.2Confident67.5Low113 Ų11397 Ų9759%0.59247%0.473SS*.EExtended strand (participates in β ladder)trans-59.2134.5168.8-17270.7000108.7L55L55-L140 WeakPolarHBondContact CD2-O 3.38Å
141G84.8Confident70.3Confident1 Ų193.4 Ų93.41%0.0145%0.452CS..EExtended strand (participates in β ladder)trans-150.2-174.2174.700000112.2L55 G103 K139L55-G141 CarbonylContact O-C 3.5Å; L55-G141 WeakPolarHBondContact O-CA 3.24Å; G103-G141 CarbonylContact C-O 3.54Å; G103-G141 PolarHBondContact N-O 2.71Å; G103-G141 CarbonylContact O-C 3.51Å; G103-G141 PolarHBondContact O-N 3.42Å; K139-G141 PolarHBondContact O-N 3.5Å
142M87.5Confident73.1Confident1 Ų186.7 Ų86.71%0.00542%0.417CS..EExtended strand (participates in β ladder)trans-126.1131.5178.6-60.3-164.786.100109.5V40 L55 F80 V100 S101V40-M142 HydrophobicContact CB-SD 4.46Å; V40-M142 HydrophobicContact CG1-CG 4.32Å; V40-M142 HydrophobicContact CG1-SD 3.45Å; V40-M142 WeakPolarHBondContact CG1-SD 3.39Å; L55-M142 HydrophobicContact CB-CG 4.19Å; L55-M142 HydrophobicContact CD1-CG 4.38Å; L55-M142 PolarHBondContact O-N 3.06Å; F80-M142 HydrophobicContact CD2-CE 3.94Å; F80-M142 HydrophobicContact CE2-CE 3.82Å; V100-M142 HydrophobicContact CG1-CB 3.79Å; V100-M142 HydrophobicContact CG1-CE 3.61Å; V100-M142 HydrophobicContact CG1-CG 4.48Å; V100-M142 HydrophobicContact CG1-SD 4.07Å; S101-M142 CarbonylContact O-C 3.55Å; S101-M142 VanDerWaalsContact O-CA 3.29Å; S101-M142 WeakPolarHBondContact O-CA 3.28Å
143A88.5Confident75.7Confident23 Ų2378.1 Ų78.119%0.1938%0.376CS..EExtended strand (participates in β ladder)trans-101.7144.8-179.700000109.9V100 S101 F126V100-A143 WeakPolarHBondContact CA-O 2.97Å; S101-A143 PolarHBondContact N-O 3.25Å; S101-A143 PolarHBondContact O-N 3.49Å; F126-A143 HydrophobicContact CD1-CB 4.31Å; F126-A143 HydrophobicContact CE1-CB 4.11Å
144F91.1Very high78.4Confident38 Ų3871 Ų7117%0.16735%0.352CS..EExtended strand (participates in β ladder)trans-106.2139.2176.5-62.8-101.1000109.7I22 L38 V40 M58 L82 V98 T99 V100I22-F144 HydrophobicContact CD1-CE1 4.12Å; L38-F144 HydrophobicContact CB-CE1 4.25Å; L38-F144 HydrophobicContact CB-CZ 4.4Å; V40-F144 HydrophobicContact CG2-CE1 4.26Å; V40-F144 HydrophobicContact CG2-CE2 4.45Å; V40-F144 HydrophobicContact CG2-CZ 3.62Å; M58-F144 HydrophobicContact CB-CB 4.09Å; M58-F144 HydrophobicContact CB-CD1 3.91Å; M58-F144 HydrophobicContact CB-CD2 3.74Å; M58-F144 HydrophobicContact CB-CE1 4.2Å; M58-F144 HydrophobicContact CB-CE2 4.05Å; M58-F144 HydrophobicContact CB-CG 3.65Å; M58-F144 HydrophobicContact CB-CZ 4.25Å; M58-F144 HydrophobicContact CE-CD1 3.93Å; M58-F144 HydrophobicContact CE-CE1 4.48Å; M58-F144 HydrophobicContact CE-CG 4.48Å; M58-F144 HydrophobicContact CG-CB 4.19Å; M58-F144 HydrophobicContact CG-CG 4.27Å; M58-F144 HydrophobicContact SD-CB 3.52Å; M58-F144 VanDerWaalsContact SD-CB 3.52Å; M58-F144 HydrophobicContact SD-CD1 3.92Å; M58-F144 HydrophobicContact SD-CG 3.89Å; L82-F144 HydrophobicContact CD1-CD1 4.4Å; L82-F144 HydrophobicContact CD1-CE1 4.16Å; V98-F144 HydrophobicContact CG1-CB 4.04Å; V98-F144 HydrophobicContact CG1-CD1 4.02Å; T99-F144 CarbonylContact O-C 3.58Å; T99-F144 VanDerWaalsContact O-CA 3.31Å; T99-F144 WeakPolarHBondContact O-CA 3.23Å; V100-F144 HydrophobicContact CG2-CD1 3.52Å; V100-F144 HydrophobicContact CG2-CE1 3.55Å; V100-F144 HydrophobicContact CG2-CG 4.37Å; V100-F144 HydrophobicContact CG2-CZ 4.43Å
145S90.8Very high80.7Confident68 Ų6867.4 Ų67.448%0.47633%0.327SS..EExtended strand (participates in β ladder)trans-134.1119.6171.9178.90000110.1V98 T99V98-S145 CarbonylContact C-O 3.53Å; V98-S145 WeakPolarHBondContact CA-O 3.39Å; V98-S145 WeakPolarHBondContact CG1-O 3.27Å; T99-S145 PolarHBondContact N-O 2.64Å; T99-S145 PolarHBondContact O-N 3.33Å; T99-S145 WeakPolarHBondContact OG1-CB 3.46Å; T99-S145 PolarHBondContact OG1-O 3.15Å
146E89.3Confident82.9Confident123 Ų12362.6 Ų62.658%0.57531%0.305SS*.EExtended strand (participates in β ladder)trans-71.2127.5175.8-63.3-177.9176.700110V98V98-E146 HydrophobicContact CG2-CG 4.22Å
147I90.6Very high84.5Confident74 Ų7461.5 Ų61.538%0.37931%0.31SS..EExtended strand (participates in β ladder)trans-98.8-53.9179.7-52174.3000110.2L81 V97 T99 F194L81-I147 HydrophobicContact CD1-CD1 3.44Å; L81-I147 VanDerWaalsContact CD1-CD1 3.44Å; V97-I147 HydrophobicContact CG1-CB 4.44Å; V97-I147 HydrophobicContact CG1-CD1 3.96Å; V97-I147 WeakPolarHBondContact O-CB 3.23Å; V97-I147 PolarHBondContact O-N 2.82Å; T99-I147 HydrophobicContact CG2-CD1 3.33Å; T99-I147 HydrophobicContact CG2-CG1 3.94Å; I147-F194 HydrophobicContact CG2-CE2 3.94Å; I147-F194 HydrophobicContact CG2-CZ 3.99Å
148K90.7Very high86Confident84 Ų8461.2 Ų61.237%0.36532%0.316SS..EExtended strand (participates in β ladder)trans-160.7139.9-171.6-163.3169.8-173.5176.80111.9V97 L150 F194V97-K148 PolarHBondContact N-O 3.23Å; V97-K148 PolarHBondContact O-N 3.19Å; K148-L150 HydrophobicContact CD-CD2 3.8Å; K148-L150 HydrophobicContact CD-CG 4.27Å; K148-L150 HydrophobicContact CG-CD2 4.12Å; K148-L150 HydrophobicContact CG-CG 4.19Å; K148-F194 HydrophobicContact CB-CD2 4.31Å; K148-F194 HydrophobicContact CB-CE2 4.13Å; K148-F194 HydrophobicContact CB-CZ 4.4Å; K148-F194 HydrophobicContact CD-CB 3.78Å; K148-F194 HydrophobicContact CD-CD1 4.49Å; K148-F194 HydrophobicContact CD-CD2 3.35Å; K148-F194 HydrophobicContact CD-CE2 4Å; K148-F194 HydrophobicContact CD-CG 3.63Å; K148-F194 HydrophobicContact CG-CD2 4.45Å
149T90.7Very high87.3Confident62 Ų6257.8 Ų57.838%0.3830%0.303SS..EExtended strand (participates in β ladder)trans-101.2131.3167.9-59.60000109.3N94 Y95 D96N94-T149 HydrophobicContact CB-CG2 3.33Å; N94-T149 VanDerWaalsContact ND2-CG2 3.3Å; N94-T149 WeakPolarHBondContact ND2-CG2 3.5Å; Y95-T149 CarbonylContact O-C 3.56Å; Y95-T149 VanDerWaalsContact O-CA 3.27Å; Y95-T149 WeakPolarHBondContact O-CA 3.27Å; D96-T149 WeakPolarHBondContact OD1-CB 3.49Å; D96-T149 VanDerWaalsContact OD1-CG2 3.31Å; D96-T149 WeakPolarHBondContact OD1-CG2 3.46Å; D96-T149 PolarHBondContact OD1-OG1 3.01Å
150L90.8Very high87.6Confident14 Ų1459.5 Ų59.57%0.07331%0.312CS..EExtended strand (participates in β ladder)trans-128.9128.5-175-66.9165.6000111.2N94 Y95 V97 K148 T152 F177 F194N94-L150 CarbonylContact C-O 3.54Å; N94-L150 WeakPolarHBondContact CA-O 3.32Å; N94-L150 WeakPolarHBondContact CB-O 3.41Å; Y95-L150 PolarHBondContact N-O 2.96Å; Y95-L150 PolarHBondContact O-N 2.99Å; V97-L150 HydrophobicContact CG2-CD1 4.18Å; K148-L150 HydrophobicContact CD-CD2 3.8Å; K148-L150 HydrophobicContact CD-CG 4.27Å; K148-L150 HydrophobicContact CG-CD2 4.12Å; K148-L150 HydrophobicContact CG-CG 4.19Å; L150-T152 HydrophobicContact CB-CG2 4.18Å; L150-T152 PolarHBondContact O-N 3.48Å; L150-F177 HydrophobicContact CD1-CE2 4.48Å; L150-F177 HydrophobicContact CD1-CZ 3.72Å; L150-F194 HydrophobicContact CD1-CB 3.96Å; L150-F194 HydrophobicContact CD1-CD1 3.62Å; L150-F194 HydrophobicContact CD1-CE1 4.44Å; L150-F194 HydrophobicContact CD1-CG 4.07Å; L150-F194 HydrophobicContact CD2-CB 3.96Å
151Q91.6Very high87.7Confident71 Ų7156 Ų5633%0.33230%0.303SS..EExtended strand (participates in β ladder)trans-76.2121.3166.8-176.5173.70.600109.9N94 D153 F154 W189N94-Q151 WeakPolarHBondContact OD1-CA 3.21Å; Q151-D153 WeakPolarHBondContact CG-O 3.42Å; Q151-D153 PolarHBondContact NE2-O 3.08Å; Q151-D153 VanDerWaalsContact NE2-O 3.1Å; Q151-F154 HydrophobicContact CG-CD1 4.33Å; Q151-F154 HydrophobicContact CG-CE1 3.91Å; Q151-F154 HydrophobicContact CG-CZ 4.12Å; Q151-F154 WeakPolarHBondContact O-CZ 3.44Å; Q151-W189 WeakPolarHBondContact O-CH2 3.25Å
152T92.4Very high87.7Confident1 Ų156 Ų561%0.00630%0.303CS..  trans-123.4-13-17452.80000114.9Y95 L150 R187 W189Y95-T152 HydrophobicContact CD2-CG2 3.31Å; Y95-T152 WeakPolarHBondContact CD2-OG1 3.44Å; Y95-T152 HydrophobicContact CE2-CG2 3.62Å; Y95-T152 WeakPolarHBondContact CE2-OG1 3.46Å; L150-T152 HydrophobicContact CB-CG2 4.18Å; L150-T152 PolarHBondContact O-N 3.48Å; T152-R187 PolarHBondContact O-NH1 3.04Å; T152-W189 HydrophobicContact CG2-CH2 4.24Å; T152-W189 HydrophobicContact CG2-CZ2 3.54Å
153D92.6Very high87.8Confident0 Ų056.6 Ų56.60%031%0.307CS..  trans-117.8140.3170.2-171.8-86.1000109.1Q151 T155 P163 F164 Q165 G181 S182 D183Q151-D153 WeakPolarHBondContact CG-O 3.42Å; Q151-D153 PolarHBondContact NE2-O 3.08Å; Q151-D153 VanDerWaalsContact NE2-O 3.1Å; D153-T155 WeakPolarHBondContact OD1-CB 3.2Å; D153-T155 PolarHBondContact OD1-N 2.87Å; D153-T155 PolarHBondContact OD1-OG1 2.92Å; D153-P163 HydrophobicContact CB-CB 4.24Å; D153-P163 WeakPolarHBondContact OD1-CA 3.49Å; D153-F164 PolarHBondContact OD1-N 2.76Å; D153-F164 VanDerWaalsContact OD1-N 3.1Å; D153-Q165 HydrophobicContact CB-CB 4.3Å; D153-G181 VanDerWaalsContact OD2-C 3.24Å; D153-G181 VanDerWaalsContact OD2-CA 3.27Å; D153-G181 WeakPolarHBondContact OD2-CA 3.43Å; D153-S182 PolarHBondContact OD2-N 2.85Å; D153-D183 PolarHBondContact OD2-N 3.34Å
154F91.9Very high87.9Confident84 Ų8458.6 Ų58.637%0.36831%0.312SS..  trans-124.926.7-174.9-58.7-93.9000111.5Q151 D183Q151-F154 HydrophobicContact CG-CD1 4.33Å; Q151-F154 HydrophobicContact CG-CE1 3.91Å; Q151-F154 HydrophobicContact CG-CZ 4.12Å; Q151-F154 WeakPolarHBondContact O-CZ 3.44Å; F154-D183 PolarHBondContact N-OD2 3.48Å
155T90.7Very high87.9Confident2 Ų257 Ų571%0.01230%0.304CS..  trans-57.6128.4173.5-550000109.3D153 A157 R159 P163 S182 D183D153-T155 WeakPolarHBondContact OD1-CB 3.2Å; D153-T155 PolarHBondContact OD1-N 2.87Å; D153-T155 PolarHBondContact OD1-OG1 2.92Å; T155-A157 PolarHBondContact O-N 2.93Å; T155-R159 HydrophobicContact CG2-CB 3.97Å; T155-R159 HydrophobicContact CG2-CG 4.11Å; T155-R159 WeakPolarHBondContact CG2-O 3.28Å; T155-P163 VanDerWaalsContact O-CD 3.25Å; T155-P163 WeakPolarHBondContact O-CD 3.24Å; T155-P163 WeakPolarHBondContact O-CG 3.3Å; T155-S182 VanDerWaalsContact OG1-C 3.28Å; T155-D183 WeakPolarHBondContact OG1-CA 3.14Å; T155-D183 PolarHBondContact OG1-N 3.49Å
156P87.7Confident88Confident71 Ų7155.1 Ų55.146%0.46129%0.288SS..  trans-55.2141176.6-2937.3000112.1N158 R159P156-N158 WeakPolarHBondContact CB-OD1 3.45Å; P156-N158 PolarHBondContact O-N 2.83Å; P156-R159 HydrophobicContact CB-CB 4.4Å; P156-R159 PolarHBondContact O-N 2.8Å
157A82.6Confident88.3Confident52 Ų5249.3 Ų49.343%0.4326%0.261SS..THydrogen-bonded Turntrans-55.3-27.3-177.900000114.1L91 T155 R159L91-A157 HydrophobicContact CD2-CB 4.17Å; T155-A157 PolarHBondContact O-N 2.93Å; A157-R159 VanDerWaalsContact C-N 3.34Å
158N83.4Confident88.5Confident152 Ų15245.8 Ų45.881%0.81324%0.243SC*.THydrogen-bonded Turntrans-82.2-7.4177.865.7-10.8000114P156P156-N158 WeakPolarHBondContact CB-OD1 3.45Å; P156-N158 PolarHBondContact O-N 2.83Å
159R81.4Confident88.8Confident98 Ų9842.7 Ų42.737%0.3723%0.229SC..SBendtrans-112.1128.6-177.5-175-175.8174.1-167.6-3.9109.5T155 P156 A157 G161 G162T155-R159 HydrophobicContact CG2-CB 3.97Å; T155-R159 HydrophobicContact CG2-CG 4.11Å; T155-R159 WeakPolarHBondContact CG2-O 3.28Å; P156-R159 HydrophobicContact CB-CB 4.4Å; P156-R159 PolarHBondContact O-N 2.8Å; A157-R159 VanDerWaalsContact C-N 3.34Å; R159-G161 PolarHBondContact O-N 2.86Å; R159-G162 PolarHBondContact O-N 2.93Å
160H73.9Confident89.1Confident117 Ų11740.5 Ų40.554%0.54221%0.214SC..THydrogen-bonded Turntrans53.422.7173.9-56.8-53.9000116.5
161G79.6Confident89.4Confident40 Ų4039.9 Ų39.941%0.41221%0.211SC..THydrogen-bonded Turntrans85.610.2-177.100000114.5F90 R159F90-G161 WeakPolarHBondContact CD1-O 3.4Å; R159-G161 PolarHBondContact O-N 2.86Å
162G85.2Confident89.6Confident0 Ų038.8 Ų38.80%021%0.21CC..SBendtrans94.8-166.2-179.900000113.3R159 F164R159-G162 PolarHBondContact O-N 2.93Å; G162-F164 PolarHBondContact O-N 2.93Å
163P89.4Confident89.7Confident14 Ų1442.1 Ų42.19%0.09123%0.232CC..  trans-55.3130.8-178.5-27.135.7000111.6F90 S93 D153 T155F90-P163 VanDerWaalsContact O-CD 3.25Å; F90-P163 WeakPolarHBondContact O-CD 3.35Å; S93-P163 VanDerWaalsContact CB-C 3.47Å; S93-P163 WeakPolarHBondContact CB-O 3.39Å; D153-P163 HydrophobicContact CB-CB 4.24Å; D153-P163 WeakPolarHBondContact OD1-CA 3.49Å; T155-P163 VanDerWaalsContact O-CD 3.25Å; T155-P163 WeakPolarHBondContact O-CD 3.24Å; T155-P163 WeakPolarHBondContact O-CG 3.3Å
164F89.3Confident89.7Confident66 Ų6642.9 Ų42.929%0.28924%0.24SC..  trans-144111.6176-176.8-124000111.6D153 G162 K166 G181 S182D153-F164 PolarHBondContact OD1-N 2.76Å; D153-F164 VanDerWaalsContact OD1-N 3.1Å; G162-F164 PolarHBondContact O-N 2.93Å; F164-K166 HydrophobicContact CD1-CD 4.45Å; F164-K166 HydrophobicContact CD1-CG 3.93Å; F164-K166 HydrophobicContact CE1-CG 3.75Å; F164-G181 CarbonylContact O-C 3.56Å; F164-G181 VanDerWaalsContact O-CA 3.3Å; F164-G181 WeakPolarHBondContact O-CA 3.29Å; F164-S182 PolarHBondContact O-N 2.91Å
165Q90.9Very high89.9Confident3 Ų341.3 Ų41.31%0.01424%0.243CC..EExtended strand (participates in β ladder)trans-93134-179.2173.9-88.3-6200111.2N67 S93 Y95 D153N67-Q165 PolarHBondContact ND2-NE2 3.07Å; N67-Q165 PolarHBondContact ND2-O 2.93Å; N67-Q165 PolarHBondContact OD1-NE2 2.83Å; S93-Q165 WeakPolarHBondContact OG-CB 3.26Å; S93-Q165 PolarHBondContact OG-N 3.28Å; Y95-Q165 HydrophobicContact CD2-CG 4.18Å; Y95-Q165 HydrophobicContact CE1-CG 3.99Å; Y95-Q165 VanDerWaalsContact CE1-NE2 3.26Å; Y95-Q165 VanDerWaalsContact CE2-CD 3.48Å; Y95-Q165 HydrophobicContact CE2-CG 3.32Å; Y95-Q165 WeakPolarHBondContact OH-CG 3.31Å; Y95-Q165 PolarHBondContact OH-NE2 3.45Å; D153-Q165 HydrophobicContact CB-CB 4.3Å
166K93Very high90.2Very high29 Ų2942.5 Ų42.513%0.12625%0.248CC..EExtended strand (participates in β ladder)trans-112.7-32.5-168.5-73.1161.8174.7-99.60114.7N67 F164 G180 S182 D206 V207 D208N67-K166 PolarHBondContact ND2-O 2.96Å; F164-K166 HydrophobicContact CD1-CD 4.45Å; F164-K166 HydrophobicContact CD1-CG 3.93Å; F164-K166 HydrophobicContact CE1-CG 3.75Å; K166-G180 PolarHBondContact N-O 2.82Å; K166-S182 WeakPolarHBondContact CE-OG 3.5Å; K166-D206 HydrophobicContact CD-CB 3.94Å; K166-D206 VanDerWaalsContact CE-CG 3.4Å; K166-D206 WeakPolarHBondContact CE-OD2 3.35Å; K166-D206 IonicContact NZ-OD2 3.5Å; K166-D206 PolarHBondContact NZ-OD2 3.02Å; K166-V207 WeakPolarHBondContact CB-O 3.47Å; K166-V207 VanDerWaalsContact CD-O 3.3Å; K166-V207 WeakPolarHBondContact CD-O 3.4Å; K166-D208 IonicContact NZ-OD1 2.78Å; K166-D208 PolarHBondContact NZ-OD1 3.32Å
167V95.5Very high90.7Very high2 Ų239.1 Ų39.11%0.01223%0.226CC..EExtended strand (participates in β ladder)trans-152.8131.9-173.656.90000112.6Y95 S179 G180 V207 L210Y95-V167 PolarHBondContact OH-O 2.84Å; V167-S179 CarbonylContact O-C 3.49Å; V167-S179 WeakPolarHBondContact O-CA 3.49Å; V167-G180 PolarHBondContact N-O 3.27Å; V167-G180 VanDerWaalsContact N-O 3.13Å; V167-G180 PolarHBondContact O-N 3.21Å; V167-V207 HydrophobicContact CG1-CG1 4.4Å; V167-L210 HydrophobicContact CB-CG 4.3Å; V167-L210 HydrophobicContact CG1-CB 4.32Å; V167-L210 HydrophobicContact CG1-CD2 3.66Å; V167-L210 HydrophobicContact CG1-CG 3.6Å; V167-L210 HydrophobicContact CG2-CD1 4.3Å; V167-L210 HydrophobicContact CG2-CG 3.81Å
168V95.9Very high91.4Very high0 Ų036.7 Ų36.70%021%0.205CC..EExtended strand (participates in β ladder)trans-118.8146.2164.151.50000110.4D69 A83 Y95 F177 V178D69-V168 HydrophobicContact CB-CG1 3.88Å; D69-V168 WeakPolarHBondContact CB-O 3.48Å; A83-V168 HydrophobicContact CB-CB 4.27Å; A83-V168 HydrophobicContact CB-CG1 3.73Å; A83-V168 HydrophobicContact CB-CG2 3.71Å; Y95-V168 HydrophobicContact CD1-CB 4.16Å; Y95-V168 HydrophobicContact CD1-CG1 3.94Å; Y95-V168 HydrophobicContact CE1-CB 3.3Å; Y95-V168 HydrophobicContact CE1-CG1 3.24Å; Y95-V168 HydrophobicContact CE1-CG2 4.2Å; Y95-V168 HydrophobicContact CE2-CB 4.38Å; Y95-V168 WeakPolarHBondContact OH-CA 3.32Å; Y95-V168 VanDerWaalsContact OH-CB 3.25Å; Y95-V168 WeakPolarHBondContact OH-CB 3.17Å; Y95-V168 PolarHBondContact OH-N 2.7Å; Y95-V168 VanDerWaalsContact OH-N 3.13Å; V168-F177 HydrophobicContact CG2-CB 4.3Å; V168-F177 HydrophobicContact CG2-CD2 3.87Å; V168-F177 HydrophobicContact CG2-CG 4.46Å; V168-V178 CarbonylContact C-O 3.6Å; V168-V178 VanDerWaalsContact CA-O 3.25Å; V168-V178 WeakPolarHBondContact CA-O 3.14Å
169R97.4Very high92Very high19 Ų1929.4 Ų29.47%0.07217%0.167CC..EExtended strand (participates in β ladder)trans-135.6132.4163.7-65.1-68.3-179.5-92.5-17.2111.1D69 F177 V178 D209 L210 D211 I212D69-R169 VanDerWaalsContact OD2-CA 3.27Å; D69-R169 WeakPolarHBondContact OD2-CA 3.22Å; R169-F177 CarbonylContact O-C 3.56Å; R169-F177 VanDerWaalsContact O-CA 3.24Å; R169-F177 WeakPolarHBondContact O-CA 3.19Å; R169-F177 VanDerWaalsContact O-CB 3.29Å; R169-F177 WeakPolarHBondContact O-CB 3.4Å; R169-V178 PolarHBondContact N-O 3.12Å; R169-V178 PolarHBondContact O-N 3.48Å; R169-D209 IonicContact NH2-OD1 3.25Å; R169-D209 PolarHBondContact NH2-OD1 2.68Å; R169-L210 HydrophobicContact CB-CD1 3.81Å; R169-L210 HydrophobicContact CG-CD1 3.62Å; R169-L210 WeakPolarHBondContact CG-O 3.42Å; R169-L210 PolarHBondContact NE-O 3.37Å; R169-D211 IonicContact NE-OD1 3.54Å; R169-I212 HydrophobicContact CB-CD1 3.97Å; R169-I212 HydrophobicContact CB-CG1 4.22Å; R169-I212 WeakPolarHBondContact O-CD1 3.39Å
170F97.3Very high92.7Very high16 Ų1624.8 Ų24.87%0.0715%0.15CC..EExtended strand (participates in β ladder)trans-72.6139165.8-70-75.1000110D69 F71 L81 A83 F177D69-F170 HydrophobicContact CB-CD2 4.09Å; D69-F170 HydrophobicContact CB-CE2 4.42Å; D69-F170 WeakPolarHBondContact O-CE2 3.4Å; D69-F170 PolarHBondContact OD2-N 2.85Å; F71-F170 HydrophobicContact CB-CB 3.77Å; F71-F170 HydrophobicContact CB-CD1 4.06Å; F71-F170 HydrophobicContact CB-CD2 3.61Å; F71-F170 HydrophobicContact CB-CE2 4.15Å; F71-F170 HydrophobicContact CB-CG 3.55Å; F71-F170 HydrophobicContact CD2-CB 4.04Å; F71-F170 HydrophobicContact CG-CB 4.21Å; F71-F170 HydrophobicContact CG-CG 4.35Å; L81-F170 HydrophobicContact CB-CZ 4.4Å; L81-F170 HydrophobicContact CD2-CD1 4.2Å; L81-F170 HydrophobicContact CD2-CE1 3.4Å; L81-F170 HydrophobicContact CD2-CZ 3.69Å; L81-F170 HydrophobicContact CG-CE1 3.99Å; L81-F170 HydrophobicContact CG-CZ 3.72Å; A83-F170 HydrophobicContact CB-CE1 4.41Å; A83-F170 HydrophobicContact CB-CE2 3.72Å; A83-F170 HydrophobicContact CB-CZ 3.52Å; F170-F177 HydrophobicContact CD1-CB 3.66Å; F170-F177 HydrophobicContact CD1-CD1 4.34Å; F170-F177 HydrophobicContact CD1-CG 4.27Å; F170-F177 HydrophobicContact CE1-CB 4.1Å; F170-F177 HydrophobicContact CE1-CD1 4.11Å; F170-F177 HydrophobicContact CE1-CG 4.23Å; F170-F177 HydrophobicContact CG-CB 4.3Å
171A96.8Very high93.7Very high0 Ų019.3 Ų19.30%012%0.124CC..  trans-69.5138.4170.800000109.4C173 G174 F176 I212A171-C173 PolarHBondContact O-N 3.21Å; A171-C173 VanDerWaalsContact O-N 3.12Å; A171-G174 PolarHBondContact O-N 3.39Å; A171-F176 HydrophobicContact CB-CD1 4Å; A171-F176 HydrophobicContact CB-CD2 3.64Å; A171-F176 HydrophobicContact CB-CE1 3.82Å; A171-F176 HydrophobicContact CB-CE2 3.46Å; A171-F176 VanDerWaalsContact CB-CE2 3.46Å; A171-F176 HydrophobicContact CB-CG 3.92Å; A171-F176 HydrophobicContact CB-CZ 3.54Å; A171-F176 WeakPolarHBondContact CB-O 3.28Å; A171-F176 PolarHBondContact N-O 3.12Å; A171-I212 HydrophobicContact CB-CD1 4.06Å; A171-I212 HydrophobicContact CB-CG2 4.39Å
172P94.8Very high94.3Very high49 Ų4917.6 Ų17.632%0.31811%0.106SC..THydrogen-bonded Turntrans-56.2-27.8176.6-29.636.9000114.3G174 R214 S216 F265P172-G174 PolarHBondContact O-N 2.77Å; P172-R214 WeakPolarHBondContact CB-O 3.49Å; P172-S216 WeakPolarHBondContact CD-OG 3.34Å; P172-F265 HydrophobicContact CB-CE1 4.14Å; P172-F265 HydrophobicContact CB-CZ 4.44Å; P172-F265 HydrophobicContact CG-CE1 3.82Å; P172-F265 HydrophobicContact CG-CZ 3.63Å
173C93.9Very high94.8Very high71 Ų7118.6 Ų18.648%0.4811%0.111SC..THydrogen-bonded Turntrans-70.4-11.8174.468.60000114.3A171 A175 S216A171-C173 PolarHBondContact O-N 3.21Å; A171-C173 VanDerWaalsContact O-N 3.12Å; C173-A175 PolarHBondContact O-N 2.8Å; C173-S216 WeakPolarHBondContact CB-OG 3.21Å; C173-S216 PolarHBondContact N-OG 2.8Å; C173-S216 VanDerWaalsContact N-OG 3.17Å; C173-S216 PolarHBondContact SG-OG 2.94Å
174G94.3Very high95Very high15 Ų1518 Ų1816%0.15511%0.107CC..SBendtrans73.1-2.4-179.200000115.5A171 P172 Y191A171-G174 PolarHBondContact O-N 3.39Å; P172-G174 PolarHBondContact O-N 2.77Å; G174-Y191 WeakPolarHBondContact O-CD1 3.46Å
175A95.8Very high95.4Very high52 Ų5217 Ų1743%0.4310%0.103SC..SBendtrans-84.3-17.3-174.500000114C173 Y191C173-A175 PolarHBondContact O-N 2.8Å; A175-Y191 PolarHBondContact O-N 2.9Å
176F97Very high95.7Very high27 Ų2716.8 Ų16.812%0.11810%0.103CC..EExtended strand (participates in β ladder)trans-157.9171-179.862.3-90.7000111.7A171 V178 V188 W189 I212 L233A171-F176 HydrophobicContact CB-CD1 4Å; A171-F176 HydrophobicContact CB-CD2 3.64Å; A171-F176 HydrophobicContact CB-CE1 3.82Å; A171-F176 HydrophobicContact CB-CE2 3.46Å; A171-F176 VanDerWaalsContact CB-CE2 3.46Å; A171-F176 HydrophobicContact CB-CG 3.92Å; A171-F176 HydrophobicContact CB-CZ 3.54Å; A171-F176 WeakPolarHBondContact CB-O 3.28Å; A171-F176 PolarHBondContact N-O 3.12Å; F176-V178 HydrophobicContact CD2-CG2 4.11Å; F176-V178 HydrophobicContact CE2-CG2 4.07Å; F176-V188 HydrophobicContact CB-CG1 4.03Å; F176-V188 HydrophobicContact CD2-CG1 3.51Å; F176-V188 HydrophobicContact CE2-CG1 4.14Å; F176-V188 HydrophobicContact CG-CG1 3.91Å; F176-W189 CarbonylContact C-O 3.59Å; F176-W189 WeakPolarHBondContact CA-O 3.44Å; F176-W189 WeakPolarHBondContact CB-O 3.29Å; F176-I212 HydrophobicContact CE2-CD1 4.31Å; F176-L233 HydrophobicContact CE2-CD1 3.93Å; F176-L233 HydrophobicContact CZ-CD1 3.91Å
177F97.2Very high96Very high0 Ų015.8 Ų15.80%010%0.098CC..EExtended strand (participates in β ladder)trans-137.2157.4167.959.7-85.8000110.2L150 V168 R169 F170 W189 F194L150-F177 HydrophobicContact CD1-CE2 4.48Å; L150-F177 HydrophobicContact CD1-CZ 3.72Å; V168-F177 HydrophobicContact CG2-CB 4.3Å; V168-F177 HydrophobicContact CG2-CD2 3.87Å; V168-F177 HydrophobicContact CG2-CG 4.46Å; R169-F177 CarbonylContact O-C 3.56Å; R169-F177 VanDerWaalsContact O-CA 3.24Å; R169-F177 WeakPolarHBondContact O-CA 3.19Å; R169-F177 VanDerWaalsContact O-CB 3.29Å; R169-F177 WeakPolarHBondContact O-CB 3.4Å; F170-F177 HydrophobicContact CD1-CB 3.66Å; F170-F177 HydrophobicContact CD1-CD1 4.34Å; F170-F177 HydrophobicContact CD1-CG 4.27Å; F170-F177 HydrophobicContact CE1-CB 4.1Å; F170-F177 HydrophobicContact CE1-CD1 4.11Å; F170-F177 HydrophobicContact CE1-CG 4.23Å; F170-F177 HydrophobicContact CG-CB 4.3Å; F177-W189 HydrophobicContact CD1-CB 4.05Å; F177-W189 HydrophobicContact CD2-CB 4.03Å; F177-W189 AromaticContact CD2-CD1 3.75Å; F177-W189 HydrophobicContact CD2-CG 4.15Å; F177-W189 HydrophobicContact CE1-CB 3.6Å; F177-W189 HydrophobicContact CE1-CG 4.45Å; F177-W189 HydrophobicContact CE2-CB 3.58Å; F177-W189 AromaticContact CE2-CD1 3.42Å; F177-W189 VanDerWaalsContact CE2-CD1 3.42Å; F177-W189 HydrophobicContact CE2-CD2 4.48Å; F177-W189 AromaticContact CE2-CG 3.56Å; F177-W189 HydrophobicContact CE2-CG 3.56Å; F177-W189 HydrophobicContact CG-CB 4.25Å; F177-W189 HydrophobicContact CZ-CB 3.35Å; F177-W189 AromaticContact CZ-CG 3.73Å; F177-W189 HydrophobicContact CZ-CG 3.73Å; F177-W189 PolarHBondContact N-O 3.03Å; F177-W189 PolarHBondContact O-N 3.34Å; F177-F194 AromaticContact CE1-CD1 3.81Å; F177-F194 HydrophobicContact CE1-CD1 3.81Å; F177-F194 HydrophobicContact CE1-CE1 4.13Å; F177-F194 HydrophobicContact CZ-CD1 4.06Å
178V97.9Very high96.1Very high0 Ų015.8 Ų15.80%010%0.098CC..EExtended strand (participates in β ladder)trans-116.9133.5-178.8-1740000109.9V168 R169 F176 F186 R187 V188 L210 I212 L219 L233V168-V178 CarbonylContact C-O 3.6Å; V168-V178 VanDerWaalsContact CA-O 3.25Å; V168-V178 WeakPolarHBondContact CA-O 3.14Å; R169-V178 PolarHBondContact N-O 3.12Å; R169-V178 PolarHBondContact O-N 3.48Å; F176-V178 HydrophobicContact CD2-CG2 4.11Å; F176-V178 HydrophobicContact CE2-CG2 4.07Å; V178-F186 HydrophobicContact CG1-CB 4.08Å; V178-F186 HydrophobicContact CG1-CD2 4.16Å; V178-F186 HydrophobicContact CG1-CG 4.49Å; V178-R187 CarbonylContact C-O 3.52Å; V178-R187 VanDerWaalsContact CA-O 3.24Å; V178-R187 WeakPolarHBondContact CA-O 3.4Å; V178-R187 WeakPolarHBondContact CG1-O 3.45Å; V178-V188 HydrophobicContact CG2-CG1 4.42Å; V178-V188 HydrophobicContact CG2-CG2 4Å; V178-L210 HydrophobicContact CB-CD1 4.13Å; V178-L210 HydrophobicContact CG1-CD1 4.17Å; V178-L210 HydrophobicContact CG1-CD2 3.91Å; V178-I212 HydrophobicContact CB-CD1 4.04Å; V178-I212 HydrophobicContact CB-CG1 4.48Å; V178-I212 HydrophobicContact CG2-CD1 3.62Å; V178-I212 HydrophobicContact CG2-CG1 4.12Å; V178-L219 HydrophobicContact CB-CD1 4.28Å; V178-L219 HydrophobicContact CG1-CD1 3.91Å; V178-L219 HydrophobicContact CG1-CD2 4.07Å; V178-L219 HydrophobicContact CG2-CD1 4.39Å; V178-L233 HydrophobicContact CG2-CD2 4.47Å
179S96.5Very high96.1Very high0 Ų016.5 Ų16.50%010%0.101CC..EExtended strand (participates in β ladder)trans-115.8149.7174.863.70000111.8Y95 V167 F186 R187 W189Y95-S179 VanDerWaalsContact CE2-CB 3.5Å; Y95-S179 WeakPolarHBondContact OH-CB 3.48Å; V167-S179 CarbonylContact O-C 3.49Å; V167-S179 WeakPolarHBondContact O-CA 3.49Å; S179-F186 CarbonylContact O-C 3.58Å; S179-F186 VanDerWaalsContact O-CA 3.22Å; S179-F186 WeakPolarHBondContact O-CA 3.4Å; S179-R187 PolarHBondContact N-O 3.18Å; S179-R187 PolarHBondContact O-N 3.36Å; S179-W189 PolarHBondContact OG-NE1 2.81Å
180G95.9Very high96.1Very high1 Ų116.1 Ų16.11%0.0110%0.102CC..EExtended strand (participates in β ladder)trans-139.4148.9169.900000112K166 V167K166-G180 PolarHBondContact N-O 2.82Å; V167-G180 PolarHBondContact N-O 3.27Å; V167-G180 VanDerWaalsContact N-O 3.13Å; V167-G180 PolarHBondContact O-N 3.21Å
181G94.2Very high96Very high1 Ų117.9 Ų17.91%0.0111%0.108CC..EExtended strand (participates in β ladder)trans-150.8-165.2-174.100000114.2D153 F164 D183 G184 D206 V207D153-G181 VanDerWaalsContact OD2-C 3.24Å; D153-G181 VanDerWaalsContact OD2-CA 3.27Å; D153-G181 WeakPolarHBondContact OD2-CA 3.43Å; F164-G181 CarbonylContact O-C 3.56Å; F164-G181 VanDerWaalsContact O-CA 3.3Å; F164-G181 WeakPolarHBondContact O-CA 3.29Å; G181-D183 VanDerWaalsContact C-N 3.28Å; G181-D183 PolarHBondContact O-N 2.83Å; G181-G184 PolarHBondContact O-N 2.7Å; G181-D206 WeakPolarHBondContact O-CA 3.24Å; G181-V207 PolarHBondContact O-N 2.84Å
182S93.1Very high95.8Very high4 Ų422.4 Ų22.43%0.02814%0.138CC..THydrogen-bonded Turntrans-73.7-12.5-179-84.60000114.8D153 T155 F164 K166 G184 D206D153-S182 PolarHBondContact OD2-N 2.85Å; T155-S182 VanDerWaalsContact OG1-C 3.28Å; F164-S182 PolarHBondContact O-N 2.91Å; K166-S182 WeakPolarHBondContact CE-OG 3.5Å; S182-G184 PolarHBondContact O-N 2.91Å; S182-D206 VanDerWaalsContact CA-OD1 3.29Å; S182-D206 WeakPolarHBondContact CA-OD1 3.44Å; S182-D206 WeakPolarHBondContact CB-OD1 3.45Å; S182-D206 VanDerWaalsContact OG-CG 3.27Å; S182-D206 PolarHBondContact OG-OD1 2.89Å; S182-D206 PolarHBondContact OG-OD2 3.21Å
183D93.9Very high95.9Very high22 Ų2222.9 Ų22.912%0.11814%0.142CC..THydrogen-bonded Turntrans-77.4-7.317365.313.1000113.5D153 F154 T155 G181 H185 R187D153-D183 PolarHBondContact OD2-N 3.34Å; F154-D183 PolarHBondContact N-OD2 3.48Å; T155-D183 WeakPolarHBondContact OG1-CA 3.14Å; T155-D183 PolarHBondContact OG1-N 3.49Å; G181-D183 VanDerWaalsContact C-N 3.28Å; G181-D183 PolarHBondContact O-N 2.83Å; D183-H185 VanDerWaalsContact C-N 3.27Å; D183-H185 PolarHBondContact O-CD2 2.88Å; D183-H185 PolarHBondContact O-N 3.45Å; D183-H185 WeakPolarHBondContact OD1-CB 3.02Å; D183-H185 PolarHBondContact OD1-N 3.26Å; D183-R187 IonicContact OD1-NH1 2.7Å; D183-R187 PolarHBondContact OD1-NH1 3.17Å; D183-R187 IonicContact OD1-NH2 2.82Å; D183-R187 IonicContact OD2-CZ 3.12Å; D183-R187 IonicContact OD2-NH1 3.32Å; D183-R187 PolarHBondContact OD2-NH1 2.84Å; D183-R187 IonicContact OD2-NH2 3.68Å; D183-R187 PolarHBondContact OD2-NH2 2.82Å
184G95.6Very high95.9Very high0 Ų020.4 Ų20.40%012%0.123CC..SBendtrans81.72.1178.300000114.4G181 S182 A202 H203 D205 V207G181-G184 PolarHBondContact O-N 2.7Å; S182-G184 PolarHBondContact O-N 2.91Å; G184-A202 PolarHBondContact O-N 3.25Å; G184-H203 WeakPolarHBondContact CA-O 3.11Å; G184-H203 PolarHBondContact O-N 3.49Å; G184-D205 WeakPolarHBondContact CA-O 3.3Å; G184-V207 WeakPolarHBondContact O-CG2 3.46Å
185H97.3Very high96Very high45 Ų4527.1 Ų27.121%0.20815%0.148CC..EExtended strand (participates in β ladder)trans-90.5149.6177.4-72-131.4000111.4D183 D199 H200 V207D183-H185 VanDerWaalsContact C-N 3.27Å; D183-H185 PolarHBondContact O-CD2 2.88Å; D183-H185 PolarHBondContact O-N 3.45Å; D183-H185 WeakPolarHBondContact OD1-CB 3.02Å; D183-H185 PolarHBondContact OD1-N 3.26Å; H185-D199 IonicContact CE1-OD1 3.64Å; H185-D199 IonicContact CG-OD1 3.61Å; H185-D199 IonicContact ND1-OD1 2.72Å; H185-D199 PolarHBondContact ND1-OD1 2.85Å; H185-H200 CarbonylContact C-O 3.57Å; H185-H200 WeakPolarHBondContact CA-O 3.05Å; H185-H200 WeakPolarHBondContact CB-O 3.13Å; H185-V207 WeakPolarHBondContact O-CG2 3.13Å
186F97.5Very high96Very high0 Ų028.7 Ų28.70%015%0.145CC..EExtended strand (participates in β ladder)trans-101.9149151.973.7-101000109.6V178 S179 V188 H200 A202 L219 T221 W231 C236V178-F186 HydrophobicContact CG1-CB 4.08Å; V178-F186 HydrophobicContact CG1-CD2 4.16Å; V178-F186 HydrophobicContact CG1-CG 4.49Å; S179-F186 CarbonylContact O-C 3.58Å; S179-F186 VanDerWaalsContact O-CA 3.22Å; S179-F186 WeakPolarHBondContact O-CA 3.4Å; F186-V188 HydrophobicContact CD2-CG2 4.26Å; F186-V188 HydrophobicContact CE2-CG2 4.2Å; F186-H200 HydrophobicContact CD1-CB 4.2Å; F186-H200 HydrophobicContact CD2-CB 4.27Å; F186-H200 HydrophobicContact CE1-CB 3.67Å; F186-H200 AromaticContact CE1-CD2 3.5Å; F186-H200 AromaticContact CE1-CG 3.79Å; F186-H200 HydrophobicContact CE2-CB 3.75Å; F186-H200 HydrophobicContact CG-CB 4.46Å; F186-H200 HydrophobicContact CZ-CB 3.42Å; F186-H200 VanDerWaalsContact CZ-CB 3.42Å; F186-H200 AromaticContact CZ-CD2 3.84Å; F186-H200 AromaticContact CZ-CG 3.69Å; F186-H200 PolarHBondContact N-O 3.42Å; F186-H200 PolarHBondContact O-N 3.12Å; F186-A202 HydrophobicContact CD1-CB 3.52Å; F186-A202 HydrophobicContact CE1-CB 3.92Å; F186-L219 HydrophobicContact CB-CD2 4.3Å; F186-L219 HydrophobicContact CD1-CD2 3.81Å; F186-L219 HydrophobicContact CD2-CD2 3.57Å; F186-L219 HydrophobicContact CE1-CD2 3.98Å; F186-L219 HydrophobicContact CE2-CD2 3.74Å; F186-L219 HydrophobicContact CG-CD2 3.63Å; F186-L219 HydrophobicContact CZ-CD2 3.95Å; F186-T221 HydrophobicContact CB-CG2 4.33Å; F186-T221 HydrophobicContact CD1-CG2 3.88Å; F186-T221 HydrophobicContact CG-CG2 4.36Å; F186-W231 AromaticContact CE1-CD2 3.78Å; F186-W231 HydrophobicContact CE1-CD2 3.78Å; F186-W231 AromaticContact CE1-CE2 3.88Å; F186-W231 HydrophobicContact CE1-CE3 4.19Å; F186-W231 AromaticContact CE1-CG 3.99Å; F186-W231 HydrophobicContact CE1-CG 3.99Å; F186-W231 HydrophobicContact CE1-CZ2 4.38Å; F186-W231 HydrophobicContact CZ-CD2 4.33Å; F186-W231 HydrophobicContact CZ-CG 4.34Å; F186-C236 HydrophobicContact CZ-CB 4.23Å
187R97.4Very high96Very high7 Ų732.2 Ų32.23%0.02616%0.162CC..EExtended strand (participates in β ladder)trans-132.4135.2178.6-62.1-178.8175.280.413.1110.4T152 V178 S179 D183 W189 W198 D199T152-R187 PolarHBondContact O-NH1 3.04Å; V178-R187 CarbonylContact C-O 3.52Å; V178-R187 VanDerWaalsContact CA-O 3.24Å; V178-R187 WeakPolarHBondContact CA-O 3.4Å; V178-R187 WeakPolarHBondContact CG1-O 3.45Å; S179-R187 PolarHBondContact N-O 3.18Å; S179-R187 PolarHBondContact O-N 3.36Å; D183-R187 IonicContact OD1-NH1 2.7Å; D183-R187 PolarHBondContact OD1-NH1 3.17Å; D183-R187 IonicContact OD1-NH2 2.82Å; D183-R187 IonicContact OD2-CZ 3.12Å; D183-R187 IonicContact OD2-NH1 3.32Å; D183-R187 PolarHBondContact OD2-NH1 2.84Å; D183-R187 IonicContact OD2-NH2 3.68Å; D183-R187 PolarHBondContact OD2-NH2 2.82Å; R187-W189 HydrophobicContact CB-CZ2 3.9Å; R187-W189 HydrophobicContact CG-CZ2 4.41Å; R187-W198 VanDerWaalsContact CA-O 3.24Å; R187-W198 WeakPolarHBondContact CA-O 3.15Å; R187-D199 HydrophobicContact CG-CB 4.47Å; R187-D199 IonicContact CZ-OD1 3.37Å; R187-D199 IonicContact CZ-OD2 3.66Å; R187-D199 IonicContact NE-OD1 3.07Å; R187-D199 PolarHBondContact NE-OD1 2.71Å; R187-D199 VanDerWaalsContact NE-OD1 3.07Å; R187-D199 IonicContact NE-OD2 2.83Å; R187-D199 PolarHBondContact NE-OD2 3.13Å; R187-D199 IonicContact NH2-OD1 3.11Å; R187-D199 PolarHBondContact NH2-OD1 2.88Å; R187-D199 VanDerWaalsContact NH2-OD1 3.11Å; R187-D199 IonicContact NH2-OD2 3.59Å
188V97.7Very high96Very high3 Ų337.2 Ų37.22%0.01818%0.181CC..EExtended strand (participates in β ladder)trans-101.9126.6176.6-1740000108.1F176 V178 F186 Q197 W198 L233F176-V188 HydrophobicContact CB-CG1 4.03Å; F176-V188 HydrophobicContact CD2-CG1 3.51Å; F176-V188 HydrophobicContact CE2-CG1 4.14Å; F176-V188 HydrophobicContact CG-CG1 3.91Å; V178-V188 HydrophobicContact CG2-CG1 4.42Å; V178-V188 HydrophobicContact CG2-CG2 4Å; F186-V188 HydrophobicContact CD2-CG2 4.26Å; F186-V188 HydrophobicContact CE2-CG2 4.2Å; V188-Q197 HydrophobicContact CB-CB 4.42Å; V188-Q197 HydrophobicContact CG1-CB 4.42Å; V188-Q197 PolarHBondContact O-N 3.24Å; V188-W198 HydrophobicContact CB-CB 3.93Å; V188-W198 HydrophobicContact CB-CG 4.27Å; V188-W198 HydrophobicContact CG2-CB 3.84Å; V188-W198 HydrophobicContact CG2-CG 4.2Å; V188-W198 PolarHBondContact N-O 2.83Å; V188-W198 PolarHBondContact O-N 3.47Å; V188-L233 HydrophobicContact CG2-CD2 3.97Å
189W96.9Very high95.9Very high14 Ų1440.5 Ų40.55%0.05320%0.199CC..EExtended strand (participates in β ladder)trans-118.8120.1-176.7-54.489.3000109.6Q151 T152 F176 F177 S179 R187 K195 K196Q151-W189 WeakPolarHBondContact O-CH2 3.25Å; T152-W189 HydrophobicContact CG2-CH2 4.24Å; T152-W189 HydrophobicContact CG2-CZ2 3.54Å; F176-W189 CarbonylContact C-O 3.59Å; F176-W189 WeakPolarHBondContact CA-O 3.44Å; F176-W189 WeakPolarHBondContact CB-O 3.29Å; F177-W189 HydrophobicContact CD1-CB 4.05Å; F177-W189 HydrophobicContact CD2-CB 4.03Å; F177-W189 AromaticContact CD2-CD1 3.75Å; F177-W189 HydrophobicContact CD2-CG 4.15Å; F177-W189 HydrophobicContact CE1-CB 3.6Å; F177-W189 HydrophobicContact CE1-CG 4.45Å; F177-W189 HydrophobicContact CE2-CB 3.58Å; F177-W189 AromaticContact CE2-CD1 3.42Å; F177-W189 VanDerWaalsContact CE2-CD1 3.42Å; F177-W189 HydrophobicContact CE2-CD2 4.48Å; F177-W189 AromaticContact CE2-CG 3.56Å; F177-W189 HydrophobicContact CE2-CG 3.56Å; F177-W189 HydrophobicContact CG-CB 4.25Å; F177-W189 HydrophobicContact CZ-CB 3.35Å; F177-W189 AromaticContact CZ-CG 3.73Å; F177-W189 HydrophobicContact CZ-CG 3.73Å; F177-W189 PolarHBondContact N-O 3.03Å; F177-W189 PolarHBondContact O-N 3.34Å; S179-W189 PolarHBondContact OG-NE1 2.81Å; R187-W189 HydrophobicContact CB-CZ2 3.9Å; R187-W189 HydrophobicContact CG-CZ2 4.41Å; W189-K195 WeakPolarHBondContact CA-O 3.34Å; W189-K196 HydrophobicContact CE3-CB 3.89Å; W189-K196 HydrophobicContact CE3-CG 4.26Å; W189-K196 HydrophobicContact CH2-CB 4.27Å; W189-K196 HydrophobicContact CH2-CD 4.32Å; W189-K196 VanDerWaalsContact CH2-CE 3.42Å; W189-K196 HydrophobicContact CH2-CG 4.18Å; W189-K196 HydrophobicContact CZ2-CG 4.41Å; W189-K196 HydrophobicContact CZ3-CB 3.72Å; W189-K196 HydrophobicContact CZ3-CG 4.09Å
190A96.8Very high96Very high11 Ų1143.1 Ų43.19%0.09121%0.211CC..EExtended strand (participates in β ladder)trans-62.7139.7174.500000110.5S193 F194 K195 Q197A190-S193 WeakPolarHBondContact CB-OG 3.25Å; A190-F194 WeakPolarHBondContact O-CA 3.34Å; A190-F194 PolarHBondContact O-N 2.9Å; A190-K195 PolarHBondContact N-O 2.92Å; A190-Q197 HydrophobicContact CB-CG 3.98Å
191Y94.9Very high96Very high54 Ų5447.9 Ų47.921%0.21224%0.236CC..THydrogen-bonded Turntrans-116.6138.4170179.1-95.5000108.6L73 L81 G174 A175 F194L73-Y191 HydrophobicContact CD2-CE1 3.93Å; L73-Y191 WeakPolarHBondContact CD2-OH 3.37Å; L81-Y191 HydrophobicContact CD1-CE2 4.13Å; L81-Y191 HydrophobicContact CD2-CD2 3.81Å; L81-Y191 HydrophobicContact CD2-CE1 4.21Å; L81-Y191 HydrophobicContact CD2-CE2 3.37Å; L81-Y191 HydrophobicContact CD2-CG 4.41Å; L81-Y191 HydrophobicContact CG-CE2 4.41Å; G174-Y191 WeakPolarHBondContact O-CD1 3.46Å; A175-Y191 PolarHBondContact O-N 2.9Å; Y191-F194 AromaticContact CD2-CE1 3.75Å; Y191-F194 HydrophobicContact CD2-CE1 3.75Å; Y191-F194 AromaticContact CD2-CZ 3.89Å; Y191-F194 HydrophobicContact CD2-CZ 3.89Å; Y191-F194 HydrophobicContact CE2-CE1 4.12Å; Y191-F194 AromaticContact CE2-CZ 3.85Å; Y191-F194 HydrophobicContact CE2-CZ 3.85Å
192P94.1Very high96.1Very high95 Ų9548.2 Ų48.262%0.61724%0.239SC*.THydrogen-bonded Turncis-903.15.835.7-36.7000115.2F194P192-F194 VanDerWaalsContact C-N 3.3Å; P192-F194 WeakPolarHBondContact O-CD2 3.19Å; P192-F194 WeakPolarHBondContact O-CE2 3.41Å; P192-F194 PolarHBondContact O-N 3.04Å
193S96.2Very high96.2Very high59 Ų5948.3 Ų48.341%0.41324%0.239SC..THydrogen-bonded Turntrans-72.7-20.7-174.769.30000114.5A190 K195A190-S193 WeakPolarHBondContact CB-OG 3.25Å; S193-K195 PolarHBondContact O-N 2.82Å; S193-K195 PolarHBondContact OG-N 2.85Å
194F94.4Very high96.2Very high19 Ų1956.5 Ų56.58%0.08327%0.273CS..  trans56.324.7-173.3-51.9-77000114.1V97 I147 K148 L150 F177 A190 Y191 P192V97-F194 HydrophobicContact CB-CE1 4.1Å; V97-F194 HydrophobicContact CB-CZ 4.33Å; V97-F194 HydrophobicContact CG1-CE1 3.84Å; V97-F194 HydrophobicContact CG1-CZ 3.95Å; V97-F194 HydrophobicContact CG2-CD1 4.41Å; V97-F194 HydrophobicContact CG2-CE1 3.81Å; I147-F194 HydrophobicContact CG2-CE2 3.94Å; I147-F194 HydrophobicContact CG2-CZ 3.99Å; K148-F194 HydrophobicContact CB-CD2 4.31Å; K148-F194 HydrophobicContact CB-CE2 4.13Å; K148-F194 HydrophobicContact CB-CZ 4.4Å; K148-F194 HydrophobicContact CD-CB 3.78Å; K148-F194 HydrophobicContact CD-CD1 4.49Å; K148-F194 HydrophobicContact CD-CD2 3.35Å; K148-F194 HydrophobicContact CD-CE2 4Å; K148-F194 HydrophobicContact CD-CG 3.63Å; K148-F194 HydrophobicContact CG-CD2 4.45Å; L150-F194 HydrophobicContact CD1-CB 3.96Å; L150-F194 HydrophobicContact CD1-CD1 3.62Å; L150-F194 HydrophobicContact CD1-CE1 4.44Å; L150-F194 HydrophobicContact CD1-CG 4.07Å; L150-F194 HydrophobicContact CD2-CB 3.96Å; F177-F194 AromaticContact CE1-CD1 3.81Å; F177-F194 HydrophobicContact CE1-CD1 3.81Å; F177-F194 HydrophobicContact CE1-CE1 4.13Å; F177-F194 HydrophobicContact CZ-CD1 4.06Å; A190-F194 WeakPolarHBondContact O-CA 3.34Å; A190-F194 PolarHBondContact O-N 2.9Å; Y191-F194 AromaticContact CD2-CE1 3.75Å; Y191-F194 HydrophobicContact CD2-CE1 3.75Å; Y191-F194 AromaticContact CD2-CZ 3.89Å; Y191-F194 HydrophobicContact CD2-CZ 3.89Å; Y191-F194 HydrophobicContact CE2-CE1 4.12Å; Y191-F194 AromaticContact CE2-CZ 3.85Å; Y191-F194 HydrophobicContact CE2-CZ 3.85Å; P192-F194 VanDerWaalsContact C-N 3.3Å; P192-F194 WeakPolarHBondContact O-CD2 3.19Å; P192-F194 WeakPolarHBondContact O-CE2 3.41Å; P192-F194 PolarHBondContact O-N 3.04Å
195K96.3Very high96Very high155 Ų15558.7 Ų58.767%0.67429%0.285SS*.  trans-77.1134.9174.6-69.7-176.4177.7-178.30109.8W189 A190 S193 Q197W189-K195 WeakPolarHBondContact CA-O 3.34Å; A190-K195 PolarHBondContact N-O 2.92Å; S193-K195 PolarHBondContact O-N 2.82Å; S193-K195 PolarHBondContact OG-N 2.85Å; K195-Q197 PolarHBondContact O-N 3.41Å
196K95.8Very high95.9Very high86 Ų8656.7 Ų56.737%0.37428%0.276SS..EExtended strand (participates in β ladder)trans-68.6114.9172.9-163.8-171.8-60.1-178.50108.8W189 D199W189-K196 HydrophobicContact CE3-CB 3.89Å; W189-K196 HydrophobicContact CE3-CG 4.26Å; W189-K196 HydrophobicContact CH2-CB 4.27Å; W189-K196 HydrophobicContact CH2-CD 4.32Å; W189-K196 VanDerWaalsContact CH2-CE 3.42Å; W189-K196 HydrophobicContact CH2-CG 4.18Å; W189-K196 HydrophobicContact CZ2-CG 4.41Å; W189-K196 HydrophobicContact CZ3-CB 3.72Å; W189-K196 HydrophobicContact CZ3-CG 4.09Å; K196-D199 HydrophobicContact CD-CB 3.8Å; K196-D199 WeakPolarHBondContact CD-OD2 3.07Å; K196-D199 IonicContact NZ-OD2 3.4Å; K196-D199 PolarHBondContact NZ-OD2 2.96Å
197Q95.9Very high95.9Very high101 Ų10156.7 Ų56.747%0.47228%0.276SS..EExtended strand (participates in β ladder)trans-86.7-42.9175.9-71.6179.6-34.500110.9V188 A190 K195V188-Q197 HydrophobicContact CB-CB 4.42Å; V188-Q197 HydrophobicContact CG1-CB 4.42Å; V188-Q197 PolarHBondContact O-N 3.24Å; A190-Q197 HydrophobicContact CB-CG 3.98Å; K195-Q197 PolarHBondContact O-N 3.41Å
198W97.1Very high95.8Very high105 Ų10556.9 Ų56.940%0.39828%0.277SS..EExtended strand (participates in β ladder)trans-134.2143.1-178.2-61.1113.6000111.3R187 V188 C236R187-W198 VanDerWaalsContact CA-O 3.24Å; R187-W198 WeakPolarHBondContact CA-O 3.15Å; V188-W198 HydrophobicContact CB-CB 3.93Å; V188-W198 HydrophobicContact CB-CG 4.27Å; V188-W198 HydrophobicContact CG2-CB 3.84Å; V188-W198 HydrophobicContact CG2-CG 4.2Å; V188-W198 PolarHBondContact N-O 2.83Å; V188-W198 PolarHBondContact O-N 3.47Å; W198-C236 VanDerWaalsContact CD2-SG 3.56Å
199D97Very high95.8Very high68 Ų6857 Ų5736%0.36428%0.278SS..EExtended strand (participates in β ladder)trans-133.797.7171.4-159-31.8000107.9H185 R187 K196H185-D199 IonicContact CE1-OD1 3.64Å; H185-D199 IonicContact CG-OD1 3.61Å; H185-D199 IonicContact ND1-OD1 2.72Å; H185-D199 PolarHBondContact ND1-OD1 2.85Å; R187-D199 HydrophobicContact CG-CB 4.47Å; R187-D199 IonicContact CZ-OD1 3.37Å; R187-D199 IonicContact CZ-OD2 3.66Å; R187-D199 IonicContact NE-OD1 3.07Å; R187-D199 PolarHBondContact NE-OD1 2.71Å; R187-D199 VanDerWaalsContact NE-OD1 3.07Å; R187-D199 IonicContact NE-OD2 2.83Å; R187-D199 PolarHBondContact NE-OD2 3.13Å; R187-D199 IonicContact NH2-OD1 3.11Å; R187-D199 PolarHBondContact NH2-OD1 2.88Å; R187-D199 VanDerWaalsContact NH2-OD1 3.11Å; R187-D199 IonicContact NH2-OD2 3.59Å; K196-D199 HydrophobicContact CD-CB 3.8Å; K196-D199 WeakPolarHBondContact CD-OD2 3.07Å; K196-D199 IonicContact NZ-OD2 3.4Å; K196-D199 PolarHBondContact NZ-OD2 2.96Å
200H97.5Very high95.8Very high56 Ų5656.3 Ų56.326%0.25928%0.275SS..EExtended strand (participates in β ladder)trans-119.5124.9-168.5-165.285.6000111.2H185 F186 A202 W231 C236H185-H200 CarbonylContact C-O 3.57Å; H185-H200 WeakPolarHBondContact CA-O 3.05Å; H185-H200 WeakPolarHBondContact CB-O 3.13Å; F186-H200 HydrophobicContact CD1-CB 4.2Å; F186-H200 HydrophobicContact CD2-CB 4.27Å; F186-H200 HydrophobicContact CE1-CB 3.67Å; F186-H200 AromaticContact CE1-CD2 3.5Å; F186-H200 AromaticContact CE1-CG 3.79Å; F186-H200 HydrophobicContact CE2-CB 3.75Å; F186-H200 HydrophobicContact CG-CB 4.46Å; F186-H200 HydrophobicContact CZ-CB 3.42Å; F186-H200 VanDerWaalsContact CZ-CB 3.42Å; F186-H200 AromaticContact CZ-CD2 3.84Å; F186-H200 AromaticContact CZ-CG 3.69Å; F186-H200 PolarHBondContact N-O 3.42Å; F186-H200 PolarHBondContact O-N 3.12Å; H200-A202 PolarHBondContact O-N 3.27Å; H200-W231 AromaticContact CD2-CH2 3.85Å; H200-W231 AromaticContact CD2-CZ3 3.65Å; H200-W231 AromaticContact NE2-CE3 3.91Å; H200-W231 AromaticContact NE2-CH2 3.54Å; H200-W231 AromaticContact NE2-CZ3 3.11Å; H200-W231 WeakPolarHBondContact NE2-CZ3 3.36Å; H200-C236 PolarHBondContact CE1-O 2.86Å
201N96.3Very high95.9Very high101 Ų10156.6 Ų56.654%0.5428%0.275SS..EExtended strand (participates in β ladder)trans-7790.5175.8-173.1-4.6000110.1H203N201-H203 PolarHBondContact OD1-O 3.45Å
202A96.3Very high96Very high8 Ų854.2 Ų54.27%0.06627%0.266CS..  trans-85.4-34.8-174.200000113.4G184 F186 H200 Y229 W231G184-A202 PolarHBondContact O-N 3.25Å; F186-A202 HydrophobicContact CD1-CB 3.52Å; F186-A202 HydrophobicContact CE1-CB 3.92Å; H200-A202 PolarHBondContact O-N 3.27Å; A202-Y229 VanDerWaalsContact O-CE2 3.3Å; A202-Y229 WeakPolarHBondContact O-CE2 3.3Å; A202-W231 HydrophobicContact CB-CH2 4.17Å; A202-W231 HydrophobicContact CB-CZ2 3.55Å
203H95.6Very high96.1Very high5 Ų549.7 Ų49.72%0.02324%0.237CC..  trans-136.2147.3-174.3-69-75.7000110.8G184 N201 D205 T221 G223 L227 Y229G184-H203 WeakPolarHBondContact CA-O 3.11Å; G184-H203 PolarHBondContact O-N 3.49Å; N201-H203 PolarHBondContact OD1-O 3.45Å; H203-D205 WeakPolarHBondContact CB-O 3.27Å; H203-D205 PolarHBondContact O-N 3.13Å; H203-T221 PolarHBondContact NE2-OG1 2.85Å; H203-G223 PolarHBondContact CE1-N 2.95Å; H203-G223 PolarHBondContact NE2-N 2.71Å; H203-L227 PolarHBondContact CE1-O 2.9Å; H203-Y229 AromaticContact CE1-CD2 3.17Å; H203-Y229 WeakPolarHBondContact CE1-CD2 3.43Å; H203-Y229 AromaticContact CE1-CE2 3.33Å; H203-Y229 WeakPolarHBondContact CE1-CE2 3.3Å; H203-Y229 AromaticContact ND1-CD2 3.79Å; H203-Y229 AromaticContact ND1-CE2 3.48Å; H203-Y229 WeakPolarHBondContact ND1-CE2 3.48Å; H203-Y229 AromaticContact NE2-CD2 3.64Å
204K93.8Very high95.9Very high195 Ų19551.1 Ų51.185%0.84823%0.233SC*.SBendtrans-71.7-9.7174.2-61.9-174-179.9-178.60113.3
205D91.8Very high95.7Very high45 Ų4552.1 Ų52.124%0.24124%0.239CC..SBendtrans-140.6178.4-174.5-162.7-4.1000107.9G184 H203 R224G184-D205 WeakPolarHBondContact CA-O 3.3Å; H203-D205 WeakPolarHBondContact CB-O 3.27Å; H203-D205 PolarHBondContact O-N 3.13Å; D205-R224 HydrophobicContact CB-CB 4.34Å; D205-R224 WeakPolarHBondContact OD2-CD 3.48Å; D205-R224 WeakPolarHBondContact OD2-CG 3.4Å
206D94.6Very high95.7Very high3 Ų345.2 Ų45.22%0.01621%0.211CC..  trans-46.5138-175.5-60.52.2000114K166 G181 S182 D208 G223 R224K166-D206 HydrophobicContact CD-CB 3.94Å; K166-D206 VanDerWaalsContact CE-CG 3.4Å; K166-D206 WeakPolarHBondContact CE-OD2 3.35Å; K166-D206 IonicContact NZ-OD2 3.5Å; K166-D206 PolarHBondContact NZ-OD2 3.02Å; G181-D206 WeakPolarHBondContact O-CA 3.24Å; S182-D206 VanDerWaalsContact CA-OD1 3.29Å; S182-D206 WeakPolarHBondContact CA-OD1 3.44Å; S182-D206 WeakPolarHBondContact CB-OD1 3.45Å; S182-D206 VanDerWaalsContact OG-CG 3.27Å; S182-D206 PolarHBondContact OG-OD1 2.89Å; S182-D206 PolarHBondContact OG-OD2 3.21Å; D206-D208 PolarHBondContact O-N 2.82Å; D206-G223 WeakPolarHBondContact O-CA 3.03Å; D206-R224 HydrophobicContact CB-CB 3.98Å; D206-R224 PolarHBondContact O-N 2.74Å; D206-R224 IonicContact OD2-CZ 2.99Å; D206-R224 IonicContact OD2-NE 3.64Å; D206-R224 PolarHBondContact OD2-NE 3.45Å; D206-R224 IonicContact OD2-NH1 3.17Å; D206-R224 PolarHBondContact OD2-NH1 2.88Å; D206-R224 IonicContact OD2-NH2 3.42Å; D206-R224 PolarHBondContact OD2-NH2 3.34Å
207V97Very high95.6Very high0 Ų044.8 Ų44.80%021%0.212CC..EExtended strand (participates in β ladder)trans-81.297.6162.3-1720000108.2K166 V167 G181 G184 H185 L210K166-V207 WeakPolarHBondContact CB-O 3.47Å; K166-V207 VanDerWaalsContact CD-O 3.3Å; K166-V207 WeakPolarHBondContact CD-O 3.4Å; V167-V207 HydrophobicContact CG1-CG1 4.4Å; G181-V207 PolarHBondContact O-N 2.84Å; G184-V207 WeakPolarHBondContact O-CG2 3.46Å; H185-V207 WeakPolarHBondContact O-CG2 3.13Å; V207-L210 HydrophobicContact CG1-CD2 4.35Å
208D95.5Very high95.6Very high11 Ų1140.3 Ų40.36%0.05919%0.191CC..EExtended strand (participates in β ladder)trans-81.1-23-173-91.4-20.8000113.3K166 D206 V222 R224 R257 R259K166-D208 IonicContact NZ-OD1 2.78Å; K166-D208 PolarHBondContact NZ-OD1 3.32Å; D206-D208 PolarHBondContact O-N 2.82Å; D208-V222 PolarHBondContact N-O 3.22Å; D208-R224 IonicContact OD1-CZ 3.92Å; D208-R224 IonicContact OD1-NE 3.25Å; D208-R224 IonicContact OD1-NH2 3.76Å; D208-R224 PolarHBondContact OD1-NH2 2.96Å; D208-R224 WeakPolarHBondContact OD2-CA 2.88Å; D208-R224 WeakPolarHBondContact OD2-CB 3.46Å; D208-R224 IonicContact OD2-NE 3.72Å; D208-R224 PolarHBondContact OD2-NE 3.18Å; D208-R257 IonicContact OD2-NH1 3.5Å; D208-R259 PolarHBondContact O-NH1 3.16Å
209D97Very high95.6Very high5 Ų535.3 Ų35.33%0.02717%0.172CC..EExtended strand (participates in β ladder)trans-159.4158.2172.5-161.221.8000110.9R169 V222 F260 A261 R262R169-D209 IonicContact NH2-OD1 3.25Å; R169-D209 PolarHBondContact NH2-OD1 2.68Å; D209-V222 HydrophobicContact CB-CB 4.12Å; D209-V222 HydrophobicContact CB-CG2 4.26Å; D209-V222 PolarHBondContact N-O 3.4Å; D209-V222 PolarHBondContact O-N 2.78Å; D209-F260 WeakPolarHBondContact OD2-CA 3.41Å; D209-A261 PolarHBondContact OD2-N 3.32Å; D209-A261 VanDerWaalsContact OD2-N 3.13Å; D209-R262 VanDerWaalsContact CG-NH1 3.26Å; D209-R262 IonicContact OD1-CZ 3.8Å; D209-R262 IonicContact OD1-NH1 2.73Å; D209-R262 PolarHBondContact OD1-NH1 3.28Å; D209-R262 IonicContact OD1-NH2 2.79Å; D209-R262 PolarHBondContact OD1-NH2 3.35Å; D209-R262 IonicContact OD2-CZ 2.94Å; D209-R262 IonicContact OD2-NH1 3.65Å; D209-R262 PolarHBondContact OD2-NH1 2.79Å; D209-R262 IonicContact OD2-NH2 3.79Å; D209-R262 PolarHBondContact OD2-NH2 2.94Å
210L98.1Very high95.6Very high0 Ų032 Ų320%016%0.155CC..EExtended strand (participates in β ladder)trans-154.1160.4172.164.283.3000110.7V167 R169 V178 V207 L219 V220 T221V167-L210 HydrophobicContact CB-CG 4.3Å; V167-L210 HydrophobicContact CG1-CB 4.32Å; V167-L210 HydrophobicContact CG1-CD2 3.66Å; V167-L210 HydrophobicContact CG1-CG 3.6Å; V167-L210 HydrophobicContact CG2-CD1 4.3Å; V167-L210 HydrophobicContact CG2-CG 3.81Å; R169-L210 HydrophobicContact CB-CD1 3.81Å; R169-L210 HydrophobicContact CG-CD1 3.62Å; R169-L210 WeakPolarHBondContact CG-O 3.42Å; R169-L210 PolarHBondContact NE-O 3.37Å; V178-L210 HydrophobicContact CB-CD1 4.13Å; V178-L210 HydrophobicContact CG1-CD1 4.17Å; V178-L210 HydrophobicContact CG1-CD2 3.91Å; V207-L210 HydrophobicContact CG1-CD2 4.35Å; L210-L219 HydrophobicContact CB-CD1 4.22Å; L210-L219 HydrophobicContact CD1-CD1 4.07Å; L210-V220 CarbonylContact C-O 3.55Å; L210-V220 WeakPolarHBondContact CA-O 3.24Å; L210-V220 WeakPolarHBondContact CB-O 3.48Å; L210-T221 HydrophobicContact CB-CG2 4.22Å
211D98.1Very high95.7Very high18 Ų1829.4 Ų29.410%0.09614%0.143CC..EExtended strand (participates in β ladder)trans-153153.5172.7-154.933.6000113.4R169 L219 V220 A261 R262 F263R169-D211 IonicContact NE-OD1 3.54Å; D211-L219 WeakPolarHBondContact O-CA 2.88Å; D211-L219 WeakPolarHBondContact O-CD1 3.32Å; D211-V220 HydrophobicContact CB-CG1 3.74Å; D211-V220 PolarHBondContact N-O 3.01Å; D211-V220 PolarHBondContact O-N 3.38Å; D211-A261 WeakPolarHBondContact CB-O 3.02Å; D211-R262 VanDerWaalsContact OD2-CA 3.23Å; D211-R262 WeakPolarHBondContact OD2-CA 3.31Å; D211-F263 HydrophobicContact CB-CD2 4.15Å; D211-F263 WeakPolarHBondContact O-CE2 3.03Å; D211-F263 PolarHBondContact OD2-N 2.85Å
212I97.7Very high95.7Very high3 Ų324.6 Ų24.62%0.01512%0.117CC..EExtended strand (participates in β ladder)trans-110.3134-176.6-55.9166000108.4R169 A171 F176 V178 L219 L233 F263R169-I212 HydrophobicContact CB-CD1 3.97Å; R169-I212 HydrophobicContact CB-CG1 4.22Å; R169-I212 WeakPolarHBondContact O-CD1 3.39Å; A171-I212 HydrophobicContact CB-CD1 4.06Å; A171-I212 HydrophobicContact CB-CG2 4.39Å; F176-I212 HydrophobicContact CE2-CD1 4.31Å; V178-I212 HydrophobicContact CB-CD1 4.04Å; V178-I212 HydrophobicContact CB-CG1 4.48Å; V178-I212 HydrophobicContact CG2-CD1 3.62Å; V178-I212 HydrophobicContact CG2-CG1 4.12Å; I212-L219 HydrophobicContact CG1-CD1 4.04Å; I212-L233 HydrophobicContact CG2-CD1 4.01Å; I212-F263 VanDerWaalsContact C-CD2 3.42Å
213S95.1Very high95.6Very high0 Ų024.2 Ų24.20%011%0.114CC..  trans-66.1159.9176.5530000112.7D215 S216 L218 F263S213-D215 VanDerWaalsContact C-N 3.29Å; S213-D215 PolarHBondContact O-N 3.25Å; S213-D215 PolarHBondContact OG-OD1 2.93Å; S213-S216 WeakPolarHBondContact O-CA 3.1Å; S213-S216 PolarHBondContact O-N 2.83Å; S213-L218 PolarHBondContact N-O 3.27Å; S213-L218 VanDerWaalsContact OG-CA 3.28Å; S213-L218 WeakPolarHBondContact OG-CA 3.29Å; S213-L218 VanDerWaalsContact OG-CB 3.29Å; S213-L218 WeakPolarHBondContact OG-CB 3.16Å; S213-L218 PolarHBondContact OG-N 3.37Å; S213-L218 PolarHBondContact OG-O 2.97Å; S213-F263 VanDerWaalsContact N-CD2 3.31Å
214R91.8Very high95.4Very high90 Ų9028.6 Ų28.634%0.3413%0.13SC..THydrogen-bonded Turntrans-57.6-38.5-174.1178.1174.5-176.2172.75.1113.9P172 S216 F265 P266P172-R214 WeakPolarHBondContact CB-O 3.49Å; R214-S216 PolarHBondContact O-N 3.46Å; R214-F265 HydrophobicContact CB-CD1 3.83Å; R214-F265 HydrophobicContact CB-CE1 3.65Å; R214-F265 HydrophobicContact CB-CG 4.38Å; R214-F265 HydrophobicContact CB-CZ 4.04Å; R214-F265 HydrophobicContact CG-CD1 3.58Å; R214-F265 HydrophobicContact CG-CE1 3.64Å; R214-F265 HydrophobicContact CG-CG 4.43Å; R214-P266 PolarHBondContact NH1-O 2.86Å
215D91.7Very high95Very high40 Ų4022.6 Ų22.621%0.21411%0.108CC..THydrogen-bonded Turntrans-78.2-7.5177.85222.3000113.1S213 D217 Q274 K301S213-D215 VanDerWaalsContact C-N 3.29Å; S213-D215 PolarHBondContact O-N 3.25Å; S213-D215 PolarHBondContact OG-OD1 2.93Å; D215-D217 PolarHBondContact O-N 2.59Å; D215-D217 WeakPolarHBondContact OD1-CB 3.46Å; D215-D217 PolarHBondContact OD1-N 2.79Å; D215-Q274 PolarHBondContact OD2-NE2 3.22Å; D215-K301 WeakPolarHBondContact OD2-CE 3.17Å; D215-K301 IonicContact OD2-NZ 3.06Å; D215-K301 PolarHBondContact OD2-NZ 2.83Å
216S95Very high94.7Very high10 Ų1021.5 Ų21.57%0.0711%0.107CC..SBendtrans65.321-174.2-45.50000114.3P172 C173 S213 R214 L233P172-S216 WeakPolarHBondContact CD-OG 3.34Å; C173-S216 WeakPolarHBondContact CB-OG 3.21Å; C173-S216 PolarHBondContact N-OG 2.8Å; C173-S216 VanDerWaalsContact N-OG 3.17Å; C173-S216 PolarHBondContact SG-OG 2.94Å; S213-S216 WeakPolarHBondContact O-CA 3.1Å; S213-S216 PolarHBondContact O-N 2.83Å; R214-S216 PolarHBondContact O-N 3.46Å; S216-L233 WeakPolarHBondContact O-CD1 3.4Å
217D94Very high94.6Very high76 Ų7624 Ų2441%0.40612%0.12SC..  trans-96.1-31-179.2-67.1-29.9000112.9D215 R232 L233 K301D215-D217 PolarHBondContact O-N 2.59Å; D215-D217 WeakPolarHBondContact OD1-CB 3.46Å; D215-D217 PolarHBondContact OD1-N 2.79Å; D217-R232 CarbonylContact O-C 3.53Å; D217-L233 PolarHBondContact O-N 2.92Å; D217-K301 IonicContact OD2-NZ 2.71Å; D217-K301 PolarHBondContact OD2-NZ 3.11Å
218L95.7Very high94.5Very high7 Ų724 Ų244%0.03712%0.12CC..EExtended strand (participates in β ladder)trans-112.1145.1-179.1-51.4180000112.4S213 I230 W231 M239 F263 Q274 I299S213-L218 PolarHBondContact N-O 3.27Å; S213-L218 VanDerWaalsContact OG-CA 3.28Å; S213-L218 WeakPolarHBondContact OG-CA 3.29Å; S213-L218 VanDerWaalsContact OG-CB 3.29Å; S213-L218 WeakPolarHBondContact OG-CB 3.16Å; S213-L218 PolarHBondContact OG-N 3.37Å; S213-L218 PolarHBondContact OG-O 2.97Å; L218-I230 HydrophobicContact CB-CG2 4.5Å; L218-I230 HydrophobicContact CD1-CG2 4.5Å; L218-W231 VanDerWaalsContact CA-O 3.29Å; L218-W231 WeakPolarHBondContact CA-O 3.12Å; L218-M239 HydrophobicContact CD2-CE 4.2Å; L218-M239 HydrophobicContact CD2-SD 3.32Å; L218-M239 WeakPolarHBondContact CD2-SD 3.48Å; L218-F263 HydrophobicContact CB-CZ 4.06Å; L218-Q274 HydrophobicContact CD1-CB 4.39Å; L218-Q274 HydrophobicContact CD1-CG 4.09Å; L218-I299 HydrophobicContact CD1-CG2 4.02Å
219L97.9Very high94.6Very high0 Ų024.7 Ų24.70%012%0.122CC..EExtended strand (participates in β ladder)trans-122.8134.7171.1172.675.8000109.2V178 F186 L210 D211 I212 T221 I230 W231 L233V178-L219 HydrophobicContact CB-CD1 4.28Å; V178-L219 HydrophobicContact CG1-CD1 3.91Å; V178-L219 HydrophobicContact CG1-CD2 4.07Å; V178-L219 HydrophobicContact CG2-CD1 4.39Å; F186-L219 HydrophobicContact CB-CD2 4.3Å; F186-L219 HydrophobicContact CD1-CD2 3.81Å; F186-L219 HydrophobicContact CD2-CD2 3.57Å; F186-L219 HydrophobicContact CE1-CD2 3.98Å; F186-L219 HydrophobicContact CE2-CD2 3.74Å; F186-L219 HydrophobicContact CG-CD2 3.63Å; F186-L219 HydrophobicContact CZ-CD2 3.95Å; L210-L219 HydrophobicContact CB-CD1 4.22Å; L210-L219 HydrophobicContact CD1-CD1 4.07Å; D211-L219 WeakPolarHBondContact O-CA 2.88Å; D211-L219 WeakPolarHBondContact O-CD1 3.32Å; I212-L219 HydrophobicContact CG1-CD1 4.04Å; L219-T221 HydrophobicContact CD1-CG2 4.5Å; L219-T221 HydrophobicContact CD2-CG2 3.73Å; L219-T221 HydrophobicContact CG-CG2 3.91Å; L219-I230 CarbonylContact O-C 3.55Å; L219-I230 WeakPolarHBondContact O-CA 3.39Å; L219-W231 HydrophobicContact CB-CB 4.25Å; L219-W231 PolarHBondContact N-O 2.8Å; L219-W231 PolarHBondContact O-N 2.84Å; L219-L233 HydrophobicContact CB-CD1 4.1Å; L219-L233 HydrophobicContact CB-CD2 3.8Å; L219-L233 HydrophobicContact CB-CG 3.86Å; L219-L233 HydrophobicContact CD2-CD2 4.13Å; L219-L233 HydrophobicContact CG-CD2 4.49Å
220V97.8Very high94.6Very high0 Ų024.6 Ų24.60%012%0.121CC..EExtended strand (participates in β ladder)trans-101.6135.2164.462.20000109.2L210 D211 T228 Y229 I230 A261 F263 L276L210-V220 CarbonylContact C-O 3.55Å; L210-V220 WeakPolarHBondContact CA-O 3.24Å; L210-V220 WeakPolarHBondContact CB-O 3.48Å; D211-V220 HydrophobicContact CB-CG1 3.74Å; D211-V220 PolarHBondContact N-O 3.01Å; D211-V220 PolarHBondContact O-N 3.38Å; V220-T228 HydrophobicContact CG2-CG2 3.65Å; V220-Y229 CarbonylContact C-O 3.52Å; V220-Y229 WeakPolarHBondContact CA-O 3.45Å; V220-I230 HydrophobicContact CB-CD1 3.64Å; V220-I230 HydrophobicContact CG2-CD1 3.64Å; V220-A261 HydrophobicContact CB-CB 4.49Å; V220-A261 HydrophobicContact CG1-CB 3.76Å; V220-A261 HydrophobicContact CG2-CB 3.85Å; V220-F263 HydrophobicContact CB-CE2 3.98Å; V220-F263 HydrophobicContact CB-CZ 4.36Å; V220-F263 HydrophobicContact CG1-CD2 4.17Å; V220-F263 HydrophobicContact CG1-CE2 3.7Å; V220-F263 HydrophobicContact CG1-CZ 4.47Å; V220-L276 HydrophobicContact CB-CD1 4.44Å; V220-L276 HydrophobicContact CB-CD2 4.47Å; V220-L276 HydrophobicContact CG1-CD1 3.96Å; V220-L276 HydrophobicContact CG2-CD2 4.15Å
221T98.1Very high94.5Very high0 Ų025 Ų250%012%0.123CC..EExtended strand (participates in β ladder)trans-124.3136.4170.565.90000111F186 H203 L210 L219 T228 Y229 W231F186-T221 HydrophobicContact CB-CG2 4.33Å; F186-T221 HydrophobicContact CD1-CG2 3.88Å; F186-T221 HydrophobicContact CG-CG2 4.36Å; H203-T221 PolarHBondContact NE2-OG1 2.85Å; L210-T221 HydrophobicContact CB-CG2 4.22Å; L219-T221 HydrophobicContact CD1-CG2 4.5Å; L219-T221 HydrophobicContact CD2-CG2 3.73Å; L219-T221 HydrophobicContact CG-CG2 3.91Å; T221-T228 CarbonylContact O-C 3.54Å; T221-T228 VanDerWaalsContact O-CA 3.28Å; T221-T228 WeakPolarHBondContact O-CA 3.49Å; T221-T228 WeakPolarHBondContact O-CG2 3.47Å; T221-Y229 PolarHBondContact N-O 3.08Å; T221-Y229 PolarHBondContact O-N 2.88Å; T221-W231 PolarHBondContact OG1-NE1 3.05Å
222V96.6Very high94.4Very high1 Ų128.3 Ų28.31%0.00613%0.134CC..EExtended strand (participates in β ladder)trans-111.3112179.7-1780000108.7D208 D209 T228 I258 A261D208-V222 PolarHBondContact N-O 3.22Å; D209-V222 HydrophobicContact CB-CB 4.12Å; D209-V222 HydrophobicContact CB-CG2 4.26Å; D209-V222 PolarHBondContact N-O 3.4Å; D209-V222 PolarHBondContact O-N 2.78Å; V222-T228 HydrophobicContact CG2-CG2 4.07Å; V222-I258 HydrophobicContact CG1-CB 4.38Å; V222-I258 HydrophobicContact CG1-CG2 3.99Å; V222-I258 WeakPolarHBondContact CG1-O 2.88Å; V222-I258 HydrophobicContact CG2-CG2 3.9Å; V222-A261 HydrophobicContact CG2-CB 3.69Å
223G95.5Very high94.3Very high0 Ų028.8 Ų28.80%014%0.136CC..EExtended strand (participates in β ladder)trans-83.7147.5177.300000112.1H203 D206 N225 G226 L227H203-G223 PolarHBondContact CE1-N 2.95Å; H203-G223 PolarHBondContact NE2-N 2.71Å; D206-G223 WeakPolarHBondContact O-CA 3.03Å; G223-N225 PolarHBondContact O-N 3.37Å; G223-G226 PolarHBondContact O-N 3.2Å; G223-L227 PolarHBondContact N-O 2.91Å
224R91Very high94.1Very high96 Ų9633.9 Ų33.936%0.36216%0.164SC..THydrogen-bonded Turntrans-58.7-33.4175.3171.9166.2-73.1-165.1-5.1113.5D205 D206 D208 G226 R257D205-R224 HydrophobicContact CB-CB 4.34Å; D205-R224 WeakPolarHBondContact OD2-CD 3.48Å; D205-R224 WeakPolarHBondContact OD2-CG 3.4Å; D206-R224 HydrophobicContact CB-CB 3.98Å; D206-R224 PolarHBondContact O-N 2.74Å; D206-R224 IonicContact OD2-CZ 2.99Å; D206-R224 IonicContact OD2-NE 3.64Å; D206-R224 PolarHBondContact OD2-NE 3.45Å; D206-R224 IonicContact OD2-NH1 3.17Å; D206-R224 PolarHBondContact OD2-NH1 2.88Å; D206-R224 IonicContact OD2-NH2 3.42Å; D206-R224 PolarHBondContact OD2-NH2 3.34Å; D208-R224 IonicContact OD1-CZ 3.92Å; D208-R224 IonicContact OD1-NE 3.25Å; D208-R224 IonicContact OD1-NH2 3.76Å; D208-R224 PolarHBondContact OD1-NH2 2.96Å; D208-R224 WeakPolarHBondContact OD2-CA 2.88Å; D208-R224 WeakPolarHBondContact OD2-CB 3.46Å; D208-R224 IonicContact OD2-NE 3.72Å; D208-R224 PolarHBondContact OD2-NE 3.18Å; R224-G226 PolarHBondContact O-N 2.84Å; R224-G226 VanDerWaalsContact O-N 3.12Å; R224-R257 PolarHBondContact O-NH1 2.58Å
225N85.4Confident94.2Very high70 Ų7033.2 Ų33.237%0.37417%0.167SC..THydrogen-bonded Turntrans-67.8-2.2176.765.3-0.5000114.1G223 L227G223-N225 PolarHBondContact O-N 3.37Å; N225-L227 WeakPolarHBondContact ND2-CD1 3.22Å; N225-L227 WeakPolarHBondContact OD1-CB 3.28Å; N225-L227 PolarHBondContact OD1-N 2.93Å; N225-L227 VanDerWaalsContact OD1-N 3.08Å
226G85.5Confident94.3Very high21 Ų2131.5 Ų31.522%0.21616%0.158CC..SBendtrans91.7-1.417800000114.5G223 R224G223-G226 PolarHBondContact O-N 3.2Å; R224-G226 PolarHBondContact O-N 2.84Å; R224-G226 VanDerWaalsContact O-N 3.12Å
227L92.4Very high94.2Very high55 Ų5533 Ų3329%0.28817%0.168SC..  trans-81.2137174-56.1179.2000109.5H203 G223 N225 Y229H203-L227 PolarHBondContact CE1-O 2.9Å; G223-L227 PolarHBondContact N-O 2.91Å; N225-L227 WeakPolarHBondContact ND2-CD1 3.22Å; N225-L227 WeakPolarHBondContact OD1-CB 3.28Å; N225-L227 PolarHBondContact OD1-N 2.93Å; N225-L227 VanDerWaalsContact OD1-N 3.08Å; L227-Y229 HydrophobicContact CB-CE1 4.39Å; L227-Y229 HydrophobicContact CB-CE2 4.17Å; L227-Y229 WeakPolarHBondContact CD1-OH 3.27Å
228T95.5Very high94.3Very high0 Ų034.7 Ų34.70%017%0.172CC..EExtended strand (participates in β ladder)trans-127.6130.3175.4-62.50000108.4V220 T221 V222 E241 L242 I258V220-T228 HydrophobicContact CG2-CG2 3.65Å; T221-T228 CarbonylContact O-C 3.54Å; T221-T228 VanDerWaalsContact O-CA 3.28Å; T221-T228 WeakPolarHBondContact O-CA 3.49Å; T221-T228 WeakPolarHBondContact O-CG2 3.47Å; V222-T228 HydrophobicContact CG2-CG2 4.07Å; T228-E241 WeakPolarHBondContact O-CA 3.4Å; T228-L242 HydrophobicContact CG2-CB 4.16Å; T228-L242 HydrophobicContact CG2-CD1 3.93Å; T228-L242 HydrophobicContact CG2-CG 4.3Å; T228-L242 PolarHBondContact O-N 2.91Å; T228-I258 HydrophobicContact CG2-CD1 4.28Å
229Y96.3Very high94.2Very high27 Ų2737.9 Ų37.911%0.10619%0.188CC..EExtended strand (participates in β ladder)trans-122.8145.8-174.9-60.2-54.5000111.2A202 H203 V220 T221 L227 W231 K238 A240 E241A202-Y229 VanDerWaalsContact O-CE2 3.3Å; A202-Y229 WeakPolarHBondContact O-CE2 3.3Å; H203-Y229 AromaticContact CE1-CD2 3.17Å; H203-Y229 WeakPolarHBondContact CE1-CD2 3.43Å; H203-Y229 AromaticContact CE1-CE2 3.33Å; H203-Y229 WeakPolarHBondContact CE1-CE2 3.3Å; H203-Y229 AromaticContact ND1-CD2 3.79Å; H203-Y229 AromaticContact ND1-CE2 3.48Å; H203-Y229 WeakPolarHBondContact ND1-CE2 3.48Å; H203-Y229 AromaticContact NE2-CD2 3.64Å; V220-Y229 CarbonylContact C-O 3.52Å; V220-Y229 WeakPolarHBondContact CA-O 3.45Å; T221-Y229 PolarHBondContact N-O 3.08Å; T221-Y229 PolarHBondContact O-N 2.88Å; L227-Y229 HydrophobicContact CB-CE1 4.39Å; L227-Y229 HydrophobicContact CB-CE2 4.17Å; L227-Y229 WeakPolarHBondContact CD1-OH 3.27Å; Y229-W231 HydrophobicContact CD2-CH2 4.42Å; Y229-W231 AromaticContact CD2-CZ2 3.6Å; Y229-W231 HydrophobicContact CD2-CZ2 3.6Å; Y229-W231 AromaticContact CG-CZ2 3.89Å; Y229-W231 HydrophobicContact CG-CZ2 3.89Å; Y229-K238 HydrophobicContact CD1-CD 3.63Å; Y229-K238 HydrophobicContact CD1-CG 4.4Å; Y229-K238 HydrophobicContact CE1-CD 3.94Å; Y229-K238 HydrophobicContact CG-CD 4.03Å; Y229-A240 WeakPolarHBondContact CA-O 3.21Å; Y229-E241 HydrophobicContact CD1-CB 3.92Å; Y229-E241 HydrophobicContact CD1-CG 3.9Å; Y229-E241 HydrophobicContact CE1-CB 4Å; Y229-E241 HydrophobicContact CE1-CG 3.64Å; Y229-E241 WeakPolarHBondContact CE1-OE2 3.16Å
230I96.6Very high93.9Very high2 Ų239.9 Ų39.91%0.0120%0.204CC..EExtended strand (participates in β ladder)trans-104.2131.3167.1-54-61.3000108.1L218 L219 V220 M239 A240 L242 L276 I299L218-I230 HydrophobicContact CB-CG2 4.5Å; L218-I230 HydrophobicContact CD1-CG2 4.5Å; L219-I230 CarbonylContact O-C 3.55Å; L219-I230 WeakPolarHBondContact O-CA 3.39Å; V220-I230 HydrophobicContact CB-CD1 3.64Å; V220-I230 HydrophobicContact CG2-CD1 3.64Å; I230-M239 HydrophobicContact CG2-CB 4.36Å; I230-M239 PolarHBondContact O-N 2.83Å; I230-A240 HydrophobicContact CB-CB 4.23Å; I230-A240 HydrophobicContact CG1-CB 4.37Å; I230-A240 PolarHBondContact N-O 3.12Å; I230-A240 PolarHBondContact O-N 3.3Å; I230-L242 HydrophobicContact CD1-CD1 4.05Å; I230-L242 HydrophobicContact CG1-CD1 4.27Å; I230-L242 HydrophobicContact CG1-CD2 4.32Å; I230-L242 HydrophobicContact CG1-CG 4.22Å; I230-L276 HydrophobicContact CD1-CD2 3.82Å; I230-I299 HydrophobicContact CD1-CD1 4.11Å; I230-I299 HydrophobicContact CG1-CD1 4.36Å
231W97Very high93.7Very high10 Ų1043.2 Ų43.24%0.03822%0.22CC..EExtended strand (participates in β ladder)trans-121.4148-177.7-49.886.7000110.1F186 H200 A202 L218 L219 T221 Y229 S237 K238F186-W231 AromaticContact CE1-CD2 3.78Å; F186-W231 HydrophobicContact CE1-CD2 3.78Å; F186-W231 AromaticContact CE1-CE2 3.88Å; F186-W231 HydrophobicContact CE1-CE3 4.19Å; F186-W231 AromaticContact CE1-CG 3.99Å; F186-W231 HydrophobicContact CE1-CG 3.99Å; F186-W231 HydrophobicContact CE1-CZ2 4.38Å; F186-W231 HydrophobicContact CZ-CD2 4.33Å; F186-W231 HydrophobicContact CZ-CG 4.34Å; H200-W231 AromaticContact CD2-CH2 3.85Å; H200-W231 AromaticContact CD2-CZ3 3.65Å; H200-W231 AromaticContact NE2-CE3 3.91Å; H200-W231 AromaticContact NE2-CH2 3.54Å; H200-W231 AromaticContact NE2-CZ3 3.11Å; H200-W231 WeakPolarHBondContact NE2-CZ3 3.36Å; A202-W231 HydrophobicContact CB-CH2 4.17Å; A202-W231 HydrophobicContact CB-CZ2 3.55Å; L218-W231 VanDerWaalsContact CA-O 3.29Å; L218-W231 WeakPolarHBondContact CA-O 3.12Å; L219-W231 HydrophobicContact CB-CB 4.25Å; L219-W231 PolarHBondContact N-O 2.8Å; L219-W231 PolarHBondContact O-N 2.84Å; T221-W231 PolarHBondContact OG1-NE1 3.05Å; Y229-W231 HydrophobicContact CD2-CH2 4.42Å; Y229-W231 AromaticContact CD2-CZ2 3.6Å; Y229-W231 HydrophobicContact CD2-CZ2 3.6Å; Y229-W231 AromaticContact CG-CZ2 3.89Å; Y229-W231 HydrophobicContact CG-CZ2 3.89Å; W231-S237 VanDerWaalsContact CA-O 3.31Å; W231-S237 WeakPolarHBondContact CA-O 3.16Å; W231-K238 HydrophobicContact CE3-CB 3.84Å; W231-K238 HydrophobicContact CE3-CG 4.33Å; W231-K238 HydrophobicContact CH2-CB 4.19Å; W231-K238 HydrophobicContact CH2-CD 4.25Å; W231-K238 HydrophobicContact CH2-CG 4.28Å; W231-K238 HydrophobicContact CZ3-CB 3.58Å; W231-K238 HydrophobicContact CZ3-CD 4.49Å; W231-K238 HydrophobicContact CZ3-CG 4.1Å
232R95.4Very high93.3Very high86 Ų8643.9 Ų43.933%0.32522%0.223SC..EExtended strand (participates in β ladder)trans-90.7127.8164.7-158.1-175.9-82.2143.6-11.8109.1D217 N234 C236 S237 M239D217-R232 CarbonylContact O-C 3.53Å; R232-N234 VanDerWaalsContact CD-CG 3.46Å; R232-N234 WeakPolarHBondContact CD-ND2 3.48Å; R232-N234 WeakPolarHBondContact CD-OD1 3.46Å; R232-N234 WeakPolarHBondContact CG-OD1 3.39Å; R232-C236 WeakPolarHBondContact O-CA 3.44Å; R232-C236 PolarHBondContact O-N 2.88Å; R232-S237 PolarHBondContact N-O 3.43Å; R232-M239 HydrophobicContact CB-CG 4.07Å; R232-M239 HydrophobicContact CB-SD 3.82Å; R232-M239 HydrophobicContact CG-SD 4.23Å
233L95.3Very high92.3Very high13 Ų1347.3 Ų47.37%0.06824%0.239CC..THydrogen-bonded Turntrans-79.9-17.7-173-77.7168.3000113.9F176 V178 V188 I212 S216 D217 L219F176-L233 HydrophobicContact CE2-CD1 3.93Å; F176-L233 HydrophobicContact CZ-CD1 3.91Å; V178-L233 HydrophobicContact CG2-CD2 4.47Å; V188-L233 HydrophobicContact CG2-CD2 3.97Å; I212-L233 HydrophobicContact CG2-CD1 4.01Å; S216-L233 WeakPolarHBondContact O-CD1 3.4Å; D217-L233 PolarHBondContact O-N 2.92Å; L219-L233 HydrophobicContact CB-CD1 4.1Å; L219-L233 HydrophobicContact CB-CD2 3.8Å; L219-L233 HydrophobicContact CB-CG 3.86Å; L219-L233 HydrophobicContact CD2-CD2 4.13Å; L219-L233 HydrophobicContact CG-CD2 4.49Å
234N92.3Very high90.8Very high108 Ų10847.6 Ų47.658%0.57824%0.241SC*.THydrogen-bonded Turntrans-67.5-36.1178.466.8-13.4000112.7R232R232-N234 VanDerWaalsContact CD-CG 3.46Å; R232-N234 WeakPolarHBondContact CD-ND2 3.48Å; R232-N234 WeakPolarHBondContact CD-OD1 3.46Å; R232-N234 WeakPolarHBondContact CG-OD1 3.39Å
235D93.1Very high89.4Confident76 Ų7648 Ų4841%0.40625%0.251SS..THydrogen-bonded Turntrans-129.80.4-175.96311.4000113.2S237D235-S237 VanDerWaalsContact CG-OG 3.27Å; D235-S237 PolarHBondContact O-N 3.3Å; D235-S237 WeakPolarHBondContact OD1-CB 3.29Å; D235-S237 PolarHBondContact OD1-N 2.83Å; D235-S237 PolarHBondContact OD1-OG 3.47Å; D235-S237 PolarHBondContact OD2-OG 3.26Å
236C93Very high88.2Confident4 Ų454.3 Ų54.33%0.02727%0.27CS..  trans55.125.9-173.8-66.90000114F186 W198 H200 R232F186-C236 HydrophobicContact CZ-CB 4.23Å; W198-C236 VanDerWaalsContact CD2-SG 3.56Å; H200-C236 PolarHBondContact CE1-O 2.86Å; R232-C236 WeakPolarHBondContact O-CA 3.44Å; R232-C236 PolarHBondContact O-N 2.88Å
237S94.6Very high87Confident40 Ų4056.9 Ų56.928%0.2828%0.277SS..  trans-74.7141.5176.264.50000111.6W231 R232 D235 M239W231-S237 VanDerWaalsContact CA-O 3.31Å; W231-S237 WeakPolarHBondContact CA-O 3.16Å; R232-S237 PolarHBondContact N-O 3.43Å; D235-S237 VanDerWaalsContact CG-OG 3.27Å; D235-S237 PolarHBondContact O-N 3.3Å; D235-S237 WeakPolarHBondContact OD1-CB 3.29Å; D235-S237 PolarHBondContact OD1-N 2.83Å; D235-S237 PolarHBondContact OD1-OG 3.47Å; D235-S237 PolarHBondContact OD2-OG 3.26Å; S237-M239 PolarHBondContact O-N 3.47Å
238K95.1Very high85.5Confident113 Ų11355.6 Ų55.649%0.49127%0.271SS..EExtended strand (participates in β ladder)trans-75.8114.4174.7-169.5175.465.5168.30109.5Y229 W231Y229-K238 HydrophobicContact CD1-CD 3.63Å; Y229-K238 HydrophobicContact CD1-CG 4.4Å; Y229-K238 HydrophobicContact CE1-CD 3.94Å; Y229-K238 HydrophobicContact CG-CD 4.03Å; W231-K238 HydrophobicContact CE3-CB 3.84Å; W231-K238 HydrophobicContact CE3-CG 4.33Å; W231-K238 HydrophobicContact CH2-CB 4.19Å; W231-K238 HydrophobicContact CH2-CD 4.25Å; W231-K238 HydrophobicContact CH2-CG 4.28Å; W231-K238 HydrophobicContact CZ3-CB 3.58Å; W231-K238 HydrophobicContact CZ3-CD 4.49Å; W231-K238 HydrophobicContact CZ3-CG 4.1Å
239M93.6Very high83.8Confident74 Ų7459 Ų5937%0.36530%0.299SS..EExtended strand (participates in β ladder)trans-85.9-41.5178.8-72-172.460.100113L218 I230 R232 S237L218-M239 HydrophobicContact CD2-CE 4.2Å; L218-M239 HydrophobicContact CD2-SD 3.32Å; L218-M239 WeakPolarHBondContact CD2-SD 3.48Å; I230-M239 HydrophobicContact CG2-CB 4.36Å; I230-M239 PolarHBondContact O-N 2.83Å; R232-M239 HydrophobicContact CB-CG 4.07Å; R232-M239 HydrophobicContact CB-SD 3.82Å; R232-M239 HydrophobicContact CG-SD 4.23Å; S237-M239 PolarHBondContact O-N 3.47Å
240A92.3Very high82.3Confident42 Ų4263 Ų6335%0.34734%0.338SS..EExtended strand (participates in β ladder)trans-154.7160.2-175.400000112.6Y229 I230Y229-A240 WeakPolarHBondContact CA-O 3.21Å; I230-A240 HydrophobicContact CB-CB 4.23Å; I230-A240 HydrophobicContact CG1-CB 4.37Å; I230-A240 PolarHBondContact N-O 3.12Å; I230-A240 PolarHBondContact O-N 3.3Å
241E92.3Very high80.8Confident69 Ų6967 Ų6732%0.32238%0.379SS..EExtended strand (participates in β ladder)trans-117.4124.8169.2-178.2172.8156.800108.9T228 Y229 H243T228-E241 WeakPolarHBondContact O-CA 3.4Å; Y229-E241 HydrophobicContact CD1-CB 3.92Å; Y229-E241 HydrophobicContact CD1-CG 3.9Å; Y229-E241 HydrophobicContact CE1-CB 4Å; Y229-E241 HydrophobicContact CE1-CG 3.64Å; Y229-E241 WeakPolarHBondContact CE1-OE2 3.16Å; E241-H243 IonicContact OE1-CE1 3.83Å; E241-H243 PolarHBondContact OE1-CE1 3.15Å; E241-H243 IonicContact OE1-ND1 3.58Å; E241-H243 IonicContact OE1-NE2 2.84Å
242L89.7Confident79.5Confident14 Ų1469.2 Ų69.27%0.07339%0.394CS..EExtended strand (participates in β ladder)trans-94.3110.6179.1-55.3-174.5000109.5T228 I230 G244 I258 L276 T278 W297T228-L242 HydrophobicContact CG2-CB 4.16Å; T228-L242 HydrophobicContact CG2-CD1 3.93Å; T228-L242 HydrophobicContact CG2-CG 4.3Å; T228-L242 PolarHBondContact O-N 2.91Å; I230-L242 HydrophobicContact CD1-CD1 4.05Å; I230-L242 HydrophobicContact CG1-CD1 4.27Å; I230-L242 HydrophobicContact CG1-CD2 4.32Å; I230-L242 HydrophobicContact CG1-CG 4.22Å; L242-G244 PolarHBondContact O-N 3.16Å; L242-I258 HydrophobicContact CB-CD1 4.3Å; L242-L276 HydrophobicContact CD1-CD2 3.58Å; L242-T278 HydrophobicContact CD1-CG2 4.43Å; L242-W297 HydrophobicContact CB-CH2 4.22Å; L242-W297 HydrophobicContact CB-CZ2 4.17Å; L242-W297 HydrophobicContact CD1-CD2 4.4Å; L242-W297 HydrophobicContact CD1-CZ2 4.47Å; L242-W297 HydrophobicContact CD2-CD2 4.36Å; L242-W297 HydrophobicContact CD2-CE3 4.04Å; L242-W297 HydrophobicContact CD2-CH2 4.33Å; L242-W297 HydrophobicContact CD2-CZ3 4.04Å
243H75.5Confident78.3Confident74 Ų7470.8 Ų70.834%0.34342%0.418SS..  trans-86.795177.6-66.9-70.5000110.7E241 D245 R246E241-H243 IonicContact OE1-CE1 3.83Å; E241-H243 PolarHBondContact OE1-CE1 3.15Å; E241-H243 IonicContact OE1-ND1 3.58Å; E241-H243 IonicContact OE1-NE2 2.84Å; H243-D245 VanDerWaalsContact C-N 3.3Å; H243-D245 WeakPolarHBondContact CB-OD1 3.25Å; H243-D245 PolarHBondContact O-N 2.82Å; H243-R246 HydrophobicContact CB-CG 4.25Å
244G63.8Low77.4Confident5 Ų573.6 Ų73.65%0.05243%0.431CS..G310 helixtrans-71.2-20.1-18000000114.7L242 R246 M247L242-G244 PolarHBondContact O-N 3.16Å; G244-R246 VanDerWaalsContact C-N 3.3Å; G244-R246 PolarHBondContact O-N 2.86Å; G244-M247 PolarHBondContact O-N 3.1Å
245D62.2Low77Confident106 Ų10676.4 Ų76.457%0.56744%0.438SS*.G310 helixtrans-66.5-29.8177.162-22.3000112.9H243 M247H243-D245 VanDerWaalsContact C-N 3.3Å; H243-D245 WeakPolarHBondContact CB-OD1 3.25Å; H243-D245 PolarHBondContact O-N 2.82Å; D245-M247 PolarHBondContact O-N 3.33Å
246R60.4Low76.7Confident202 Ų20273.6 Ų73.676%0.76242%0.422SS*.G310 helixtrans-74-2.9178.9-67.4-174.6178.3-172.6-0.4114.6H243 G244H243-R246 HydrophobicContact CB-CG 4.25Å; G244-R246 VanDerWaalsContact C-N 3.3Å; G244-R246 PolarHBondContact O-N 2.86Å
247M60.2Low76.6Confident75 Ų7576.3 Ų76.337%0.36943%0.432SS..G310 helixtrans-105.4-2-168.1-49.8-152.481.100114.4G244 D245 T295 W297G244-M247 PolarHBondContact O-N 3.1Å; D245-M247 PolarHBondContact O-N 3.33Å; M247-T295 HydrophobicContact CE-CG2 3.09Å; M247-T295 HydrophobicContact SD-CG2 3.38Å; M247-T295 WeakPolarHBondContact SD-CG2 3.13Å; M247-T295 PolarHBondContact SD-OG1 2.9Å; M247-W297 HydrophobicContact CE-CH2 4.06Å; M247-W297 HydrophobicContact CE-CZ2 4.1Å; M247-W297 HydrophobicContact CE-CZ3 4.49Å; M247-W297 HydrophobicContact CG-CH2 4.45Å; M247-W297 HydrophobicContact SD-CH2 3.4Å; M247-W297 WeakPolarHBondContact SD-CH2 3.11Å; M247-W297 HydrophobicContact SD-CZ2 3.14Å; M247-W297 WeakPolarHBondContact SD-CZ2 3.25Å; M247-W297 HydrophobicContact SD-CZ3 4.36Å
248V60.7Low76.4Confident27 Ų2774.5 Ų74.516%0.16442%0.419CS..SBendtrans-86.7137.8177.1-161.80000108.3V252 Y256 Y293V248-V252 HydrophobicContact CB-CB 4.41Å; V248-V252 HydrophobicContact CG1-CB 3.41Å; V248-V252 VanDerWaalsContact CG1-CB 3.41Å; V248-V252 HydrophobicContact CG1-CG1 3.59Å; V248-V252 HydrophobicContact CG1-CG2 3.58Å; V248-Y256 HydrophobicContact CB-CD2 4.5Å; V248-Y256 HydrophobicContact CG1-CD2 4.19Å; V248-Y256 HydrophobicContact CG1-CE2 4.04Å; V248-Y256 HydrophobicContact CG2-CD2 3.51Å; V248-Y256 HydrophobicContact CG2-CE2 4.19Å; V248-Y256 HydrophobicContact CG2-CG 3.83Å; V248-Y293 HydrophobicContact CG1-CE2 4.08Å
249A61.1Low76.3Confident72 Ų7272.3 Ų72.360%0.59541%0.407SS*.PPolyproline II helixtrans-49.3143.1178.700000111.8G251 V252A249-G251 PolarHBondContact O-N 2.95Å; A249-V252 PolarHBondContact O-N 2.92Å
250A62.9Low76.4Confident112 Ų11273.1 Ų73.193%0.92641%0.409SS*.THydrogen-bonded Turntrans-51.1129.417600000110.4
251G66.4Low76.6Confident84 Ų8471.1 Ų71.187%0.86639%0.392SS*.THydrogen-bonded Turntrans100.2-4.7179.900000116A249 S253A249-G251 PolarHBondContact O-N 2.95Å; G251-S253 PolarHBondContact O-N 2.66Å
252V69Low76.9Confident58 Ų5871.8 Ų71.835%0.35239%0.392SS..  trans-81.1112.4172.2-178.70000110.3V248 A249 Q254 Y256V248-V252 HydrophobicContact CB-CB 4.41Å; V248-V252 HydrophobicContact CG1-CB 3.41Å; V248-V252 VanDerWaalsContact CG1-CB 3.41Å; V248-V252 HydrophobicContact CG1-CG1 3.59Å; V248-V252 HydrophobicContact CG1-CG2 3.58Å; A249-V252 PolarHBondContact O-N 2.92Å; V252-Q254 VanDerWaalsContact C-N 3.26Å; V252-Q254 HydrophobicContact CG1-CB 3.99Å; V252-Q254 PolarHBondContact O-N 2.91Å; V252-Y256 HydrophobicContact CG1-CE2 4.03Å
253S70.4Confident77.2Confident119 Ų11971.5 Ų71.583%0.83239%0.39SS*.  trans-74.2-14.7177.960.40000114.2G251G251-S253 PolarHBondContact O-N 2.66Å
254Q77Confident78Confident71 Ų7171.1 Ų71.133%0.33239%0.39SS..SBendtrans-79.3134.4-176.9-63.4-178.316.900110.9V252 Y256V252-Q254 VanDerWaalsContact C-N 3.26Å; V252-Q254 HydrophobicContact CG1-CB 3.99Å; V252-Q254 PolarHBondContact O-N 2.91Å; Q254-Y256 HydrophobicContact CB-CE2 3.93Å; Q254-Y256 WeakPolarHBondContact O-CD2 3.03Å
255K84.1Confident79.1Confident167 Ų16776 Ų7673%0.72641%0.41SS*.  trans-78.9136.8173.2-65.8-173.9178.2-1760110.4V283K255-V283 HydrophobicContact CB-CB 4.28Å; K255-V283 HydrophobicContact CB-CG2 4.19Å; K255-V283 WeakPolarHBondContact O-CB 3.49Å; K255-V283 WeakPolarHBondContact O-CG2 3.44Å; K255-V283 PolarHBondContact O-N 3.4Å
256Y87.2Confident80Confident17 Ų1773.5 Ų73.57%0.06740%0.4CS..EExtended strand (participates in β ladder)trans-115.4154.4175.7-77.1-105.6000110.5V248 V252 Q254 I281 P282 A291 Y293V248-Y256 HydrophobicContact CB-CD2 4.5Å; V248-Y256 HydrophobicContact CG1-CD2 4.19Å; V248-Y256 HydrophobicContact CG1-CE2 4.04Å; V248-Y256 HydrophobicContact CG2-CD2 3.51Å; V248-Y256 HydrophobicContact CG2-CE2 4.19Å; V248-Y256 HydrophobicContact CG2-CG 3.83Å; V252-Y256 HydrophobicContact CG1-CE2 4.03Å; Q254-Y256 HydrophobicContact CB-CE2 3.93Å; Q254-Y256 WeakPolarHBondContact O-CD2 3.03Å; Y256-I281 CarbonylContact C-O 3.54Å; Y256-I281 VanDerWaalsContact CA-O 3.3Å; Y256-I281 WeakPolarHBondContact CA-O 3.39Å; Y256-I281 WeakPolarHBondContact CD1-O 3.33Å; Y256-P282 HydrophobicContact CD1-CG 4.42Å; Y256-P282 HydrophobicContact CE1-CB 4.29Å; Y256-P282 HydrophobicContact CE1-CG 3.71Å; Y256-A291 WeakPolarHBondContact CE1-O 3.19Å; Y256-A291 PolarHBondContact OH-O 3.1Å; Y256-Y293 AromaticContact CD1-CD2 3.98Å; Y256-Y293 HydrophobicContact CD1-CD2 3.98Å; Y256-Y293 HydrophobicContact CD1-CE2 4.32Å; Y256-Y293 AromaticContact CE1-CD2 3.57Å; Y256-Y293 HydrophobicContact CE1-CD2 3.57Å; Y256-Y293 AromaticContact CE1-CE2 3.58Å; Y256-Y293 HydrophobicContact CE1-CE2 3.58Å; Y256-Y293 HydrophobicContact CE2-CE2 4.2Å; Y256-Y293 AromaticContact CZ-CE2 3.52Å
257R89.1Confident80.8Confident62 Ų6273.3 Ų73.323%0.23441%0.408CS..EExtended strand (participates in β ladder)trans-135.2148.2169.267.2177.9-178.1139.28.1110.4D208 R224 R259 S280 I281 V283D208-R257 IonicContact OD2-NH1 3.5Å; R224-R257 PolarHBondContact O-NH1 2.58Å; R257-R259 PolarHBondContact O-N 3.24Å; R257-S280 CarbonylContact O-C 3.58Å; R257-S280 WeakPolarHBondContact O-CA 3.44Å; R257-I281 HydrophobicContact CG-CG1 4.13Å; R257-I281 PolarHBondContact N-O 3.48Å; R257-I281 PolarHBondContact O-N 3Å; R257-V283 HydrophobicContact CB-CG2 3.96Å; R257-V283 HydrophobicContact CG-CG2 3.92Å
258I92.4Very high81.6Confident2 Ų278.9 Ų78.91%0.0142%0.424CS..EExtended strand (participates in β ladder)trans-67.6132.5171-65.4165.5000108.1V222 T228 L242 T278V222-I258 HydrophobicContact CG1-CB 4.38Å; V222-I258 HydrophobicContact CG1-CG2 3.99Å; V222-I258 WeakPolarHBondContact CG1-O 2.88Å; V222-I258 HydrophobicContact CG2-CG2 3.9Å; T228-I258 HydrophobicContact CG2-CD1 4.28Å; L242-I258 HydrophobicContact CB-CD1 4.3Å; I258-T278 HydrophobicContact CD1-CG2 4.23Å; I258-T278 HydrophobicContact CG2-CG2 4.19Å
259R93Very high82Confident66 Ų6685.7 Ų85.725%0.24945%0.447CS..EExtended strand (participates in β ladder)trans-112.6-34.4176.8177.561.3-171.697.9-8.7112.9D208 R257 C279 I281D208-R259 PolarHBondContact O-NH1 3.16Å; R257-R259 PolarHBondContact O-N 3.24Å; R259-C279 PolarHBondContact N-O 3.26Å; R259-I281 HydrophobicContact CB-CD1 3.75Å; R259-I281 HydrophobicContact CB-CG1 3.9Å; R259-I281 HydrophobicContact CB-CG2 3.96Å; R259-I281 HydrophobicContact CG-CD1 3.93Å
260F95.1Very high82.6Confident91 Ų9186 Ų8640%0.39944%0.437SS..EExtended strand (participates in β ladder)trans-134.3144.9-179-54.9-70.9000110.7D209 T278 C279D209-F260 WeakPolarHBondContact OD2-CA 3.41Å; F260-T278 CarbonylContact O-C 3.59Å; F260-T278 VanDerWaalsContact O-CA 3.28Å; F260-T278 WeakPolarHBondContact O-CA 3.16Å; F260-C279 HydrophobicContact CB-CB 4.11Å; F260-C279 HydrophobicContact CD2-CB 4.19Å; F260-C279 PolarHBondContact N-O 2.99Å; F260-C279 PolarHBondContact O-N 3.15Å
261A96.5Very high83.3Confident0 Ų085.1 Ų85.10%042%0.416CS..EExtended strand (participates in β ladder)trans-140128.2178.800000109.9D209 D211 V220 V222 L276 V277 T278D209-A261 PolarHBondContact OD2-N 3.32Å; D209-A261 VanDerWaalsContact OD2-N 3.13Å; D211-A261 WeakPolarHBondContact CB-O 3.02Å; V220-A261 HydrophobicContact CB-CB 4.49Å; V220-A261 HydrophobicContact CG1-CB 3.76Å; V220-A261 HydrophobicContact CG2-CB 3.85Å; V222-A261 HydrophobicContact CG2-CB 3.69Å; A261-L276 HydrophobicContact CB-CD1 4.2Å; A261-V277 CarbonylContact C-O 3.56Å; A261-V277 WeakPolarHBondContact CA-O 3.41Å; A261-T278 HydrophobicContact CB-CG2 4.13Å
262R97.3Very high84.1Confident84 Ų8484.4 Ų84.432%0.31740%0.398SS..EExtended strand (participates in β ladder)trans-136.1125179.9-66.9-66.5176.6-87.2-14.5112.2D209 D211 V277D209-R262 VanDerWaalsContact CG-NH1 3.26Å; D209-R262 IonicContact OD1-CZ 3.8Å; D209-R262 IonicContact OD1-NH1 2.73Å; D209-R262 PolarHBondContact OD1-NH1 3.28Å; D209-R262 IonicContact OD1-NH2 2.79Å; D209-R262 PolarHBondContact OD1-NH2 3.35Å; D209-R262 IonicContact OD2-CZ 2.94Å; D209-R262 IonicContact OD2-NH1 3.65Å; D209-R262 PolarHBondContact OD2-NH1 2.79Å; D209-R262 IonicContact OD2-NH2 3.79Å; D209-R262 PolarHBondContact OD2-NH2 2.94Å; D211-R262 VanDerWaalsContact OD2-CA 3.23Å; D211-R262 WeakPolarHBondContact OD2-CA 3.31Å; R262-V277 PolarHBondContact N-O 2.78Å; R262-V277 PolarHBondContact O-N 2.96Å
263F96.6Very high85.1Confident8 Ų883 Ų834%0.03539%0.387CS..EExtended strand (participates in β ladder)trans-69.1141.1168.2-76.2-79.9000109.9D211 I212 S213 L218 V220 Q274 L275 L276 I299D211-F263 HydrophobicContact CB-CD2 4.15Å; D211-F263 WeakPolarHBondContact O-CE2 3.03Å; D211-F263 PolarHBondContact OD2-N 2.85Å; I212-F263 VanDerWaalsContact C-CD2 3.42Å; S213-F263 VanDerWaalsContact N-CD2 3.31Å; L218-F263 HydrophobicContact CB-CZ 4.06Å; V220-F263 HydrophobicContact CB-CE2 3.98Å; V220-F263 HydrophobicContact CB-CZ 4.36Å; V220-F263 HydrophobicContact CG1-CD2 4.17Å; V220-F263 HydrophobicContact CG1-CE2 3.7Å; V220-F263 HydrophobicContact CG1-CZ 4.47Å; F263-Q274 HydrophobicContact CD1-CB 4.27Å; F263-Q274 HydrophobicContact CE1-CB 4.14Å; F263-L275 WeakPolarHBondContact CA-O 3.3Å; F263-L275 WeakPolarHBondContact CD1-O 3.17Å; F263-L276 HydrophobicContact CD1-CB 4.19Å; F263-L276 HydrophobicContact CD1-CD1 4.36Å; F263-L276 HydrophobicContact CD2-CD1 4.35Å; F263-L276 HydrophobicContact CE1-CB 4.22Å; F263-L276 HydrophobicContact CE1-CD1 4.47Å; F263-L276 HydrophobicContact CE2-CD1 4.47Å; F263-L276 HydrophobicContact CG-CD1 4.3Å; F263-I299 HydrophobicContact CE1-CD1 3.9Å; F263-I299 HydrophobicContact CZ-CD1 4.42Å
264L93.3Very high86.1Confident66 Ų6678 Ų7835%0.34635%0.351SS..  trans-94.6148.5176.5-57.1-174.8000110.8P266 L275 V277 L296L264-P266 VanDerWaalsContact C-CD 3.42Å; L264-P266 WeakPolarHBondContact O-CD 3.47Å; L264-L275 HydrophobicContact CB-CB 4.02Å; L264-L275 HydrophobicContact CD1-CB 4.22Å; L264-L275 HydrophobicContact CG-CB 4.32Å; L264-L275 PolarHBondContact N-O 3.05Å; L264-V277 HydrophobicContact CD1-CG2 3.69Å; L264-V277 HydrophobicContact CD2-CB 4.49Å; L264-V277 HydrophobicContact CD2-CG2 3.9Å; L264-V277 HydrophobicContact CG-CG2 3.89Å; L264-L296 HydrophobicContact CD1-CD1 3.84Å
265F87.2Confident86.9Confident107 Ų10776.3 Ų76.347%0.46934%0.344SS..  trans-115.674.3178.8-69.4-118.6000108P172 R214P172-F265 HydrophobicContact CB-CE1 4.14Å; P172-F265 HydrophobicContact CB-CZ 4.44Å; P172-F265 HydrophobicContact CG-CE1 3.82Å; P172-F265 HydrophobicContact CG-CZ 3.63Å; R214-F265 HydrophobicContact CB-CD1 3.83Å; R214-F265 HydrophobicContact CB-CE1 3.65Å; R214-F265 HydrophobicContact CB-CG 4.38Å; R214-F265 HydrophobicContact CB-CZ 4.04Å; R214-F265 HydrophobicContact CG-CD1 3.58Å; R214-F265 HydrophobicContact CG-CE1 3.64Å; R214-F265 HydrophobicContact CG-CG 4.43Å
266P79.6Confident87.4Confident54 Ų5468.3 Ų68.335%0.35131%0.309SS..  trans-61146.4179.825.8-33.5000110.6R214 L264 R268R214-P266 PolarHBondContact NH1-O 2.86Å; L264-P266 VanDerWaalsContact C-CD 3.42Å; L264-P266 WeakPolarHBondContact O-CD 3.47Å; P266-R268 VanDerWaalsContact C-N 3.3Å; P266-R268 PolarHBondContact O-N 3.35Å
267E78.8Confident87.8Confident198 Ų19869.2 Ų69.293%0.92532%0.316SS*.SBendtrans-56.2-46.4179.9-69.5178-178.200111.4R269E267-R269 PolarHBondContact O-N 3.07Å
268R76.9Confident88.1Confident191 Ų19166.3 Ų66.372%0.72131%0.305SS*.SBendtrans-75.9116172.5-168.5177.4-177.5170.7-0.8109.7P266 E270P266-R268 VanDerWaalsContact C-N 3.3Å; P266-R268 PolarHBondContact O-N 3.35Å; R268-E270 HydrophobicContact CG-CG 4.3Å; R268-E270 IonicContact NE-OE1 3.53Å; R268-E270 PolarHBondContact O-N 3.26Å
269R68.6Low88.1Confident171 Ų17167.4 Ų67.465%0.64531%0.313SS*.  trans-73.4117.5172.4-176.9178.6173.9172.9-1.1109.2E267 D271E267-R269 PolarHBondContact O-N 3.07Å; R269-D271 IonicContact CZ-OD1 3.85Å; R269-D271 IonicContact NE-OD1 2.88Å; R269-D271 PolarHBondContact NE-OD1 2.8Å; R269-D271 IonicContact NE-OD2 3.34Å; R269-D271 IonicContact NH2-OD1 3.05Å; R269-D271 PolarHBondContact NH2-OD1 3.05Å; R269-D271 VanDerWaalsContact NH2-OD1 3.12Å
270E74.4Confident88Confident79 Ų7964.4 Ų64.437%0.36930%0.302SS..  trans-119.7112.3171.2-65.7-175-170.600107.4R268 S272 F273R268-E270 HydrophobicContact CG-CG 4.3Å; R268-E270 IonicContact NE-OE1 3.53Å; R268-E270 PolarHBondContact O-N 3.26Å; E270-S272 PolarHBondContact O-N 3.37Å; E270-F273 HydrophobicContact CB-CE1 4.13Å; E270-F273 HydrophobicContact CB-CZ 4.27Å; E270-F273 WeakPolarHBondContact OE2-CE1 3.2Å; E270-F273 WeakPolarHBondContact OE2-CZ 3.33Å
271D76.3Confident87.8Confident93 Ų9361.9 Ų61.950%0.49729%0.292SS..THydrogen-bonded Turntrans-77.3-9.9-174.4-67.8-43.5000113R269 K301R269-D271 IonicContact CZ-OD1 3.85Å; R269-D271 IonicContact NE-OD1 2.88Å; R269-D271 PolarHBondContact NE-OD1 2.8Å; R269-D271 IonicContact NE-OD2 3.34Å; R269-D271 IonicContact NH2-OD1 3.05Å; R269-D271 PolarHBondContact NH2-OD1 3.05Å; R269-D271 VanDerWaalsContact NH2-OD1 3.12Å; D271-K301 WeakPolarHBondContact O-CD 3.38Å
272S83.9Confident87.4Confident69 Ų6963 Ų6348%0.48330%0.299SS..THydrogen-bonded Turntrans-79.2-21.6-175.9600000114.4E270 K301E270-S272 PolarHBondContact O-N 3.37Å; S272-K301 PolarHBondContact O-N 3.19Å
273F89Confident87Confident28 Ų2862.7 Ų62.712%0.12331%0.307CS..EExtended strand (participates in β ladder)trans-149.8159.4177.763.9-94.4000113E270 L275 R298 I299E270-F273 HydrophobicContact CB-CE1 4.13Å; E270-F273 HydrophobicContact CB-CZ 4.27Å; E270-F273 WeakPolarHBondContact OE2-CE1 3.2Å; E270-F273 WeakPolarHBondContact OE2-CZ 3.33Å; F273-L275 HydrophobicContact CD2-CD2 3.89Å; F273-L275 HydrophobicContact CD2-CG 3.98Å; F273-L275 HydrophobicContact CE2-CD1 4.15Å; F273-L275 HydrophobicContact CE2-CD2 3.75Å; F273-L275 HydrophobicContact CE2-CG 3.72Å; F273-R298 HydrophobicContact CB-CG 4Å; F273-R298 VanDerWaalsContact CD1-NH2 3.32Å; F273-R298 HydrophobicContact CD2-CG 3.88Å; F273-R298 HydrophobicContact CG-CG 3.93Å; F273-I299 CarbonylContact C-O 3.56Å; F273-I299 WeakPolarHBondContact CA-O 3.24Å; F273-I299 VanDerWaalsContact CB-O 3.32Å; F273-I299 WeakPolarHBondContact CB-O 3.5Å
274Q91.1Very high86.5Confident15 Ų1565.2 Ų65.27%0.0733%0.326CS..EExtended strand (participates in β ladder)trans-110.7143.7169.1-65.4-62.5-22.500109.8D215 L218 F263 I299D215-Q274 PolarHBondContact OD2-NE2 3.22Å; L218-Q274 HydrophobicContact CD1-CB 4.39Å; L218-Q274 HydrophobicContact CD1-CG 4.09Å; F263-Q274 HydrophobicContact CD1-CB 4.27Å; F263-Q274 HydrophobicContact CE1-CB 4.14Å; Q274-I299 HydrophobicContact CB-CB 4.38Å; Q274-I299 PolarHBondContact N-O 3.42Å; Q274-I299 PolarHBondContact O-N 2.84Å
275L93.8Very high86.1Confident34 Ų3474 Ų7418%0.17835%0.354CS..EExtended strand (participates in β ladder)trans-103.6134.3174-67.4178.7000109.9F263 L264 F273 L296 W297 R298F263-L275 WeakPolarHBondContact CA-O 3.3Å; F263-L275 WeakPolarHBondContact CD1-O 3.17Å; L264-L275 HydrophobicContact CB-CB 4.02Å; L264-L275 HydrophobicContact CD1-CB 4.22Å; L264-L275 HydrophobicContact CG-CB 4.32Å; L264-L275 PolarHBondContact N-O 3.05Å; F273-L275 HydrophobicContact CD2-CD2 3.89Å; F273-L275 HydrophobicContact CD2-CG 3.98Å; F273-L275 HydrophobicContact CE2-CD1 4.15Å; F273-L275 HydrophobicContact CE2-CD2 3.75Å; F273-L275 HydrophobicContact CE2-CG 3.72Å; L275-L296 HydrophobicContact CB-CD1 4.34Å; L275-L296 HydrophobicContact CD2-CD1 4.4Å; L275-W297 WeakPolarHBondContact CA-O 3.48Å; L275-R298 HydrophobicContact CD2-CB 4.16Å; L275-R298 HydrophobicContact CD2-CG 4.28Å
276L95.3Very high85.9Confident0 Ų071.8 Ų71.80%035%0.352CS..EExtended strand (participates in β ladder)trans-129.8132.7179.5170.271.3000109.2V220 I230 L242 A261 F263 T278 W297 I299V220-L276 HydrophobicContact CB-CD1 4.44Å; V220-L276 HydrophobicContact CB-CD2 4.47Å; V220-L276 HydrophobicContact CG1-CD1 3.96Å; V220-L276 HydrophobicContact CG2-CD2 4.15Å; I230-L276 HydrophobicContact CD1-CD2 3.82Å; L242-L276 HydrophobicContact CD1-CD2 3.58Å; A261-L276 HydrophobicContact CB-CD1 4.2Å; F263-L276 HydrophobicContact CD1-CB 4.19Å; F263-L276 HydrophobicContact CD1-CD1 4.36Å; F263-L276 HydrophobicContact CD2-CD1 4.35Å; F263-L276 HydrophobicContact CE1-CB 4.22Å; F263-L276 HydrophobicContact CE1-CD1 4.47Å; F263-L276 HydrophobicContact CE2-CD1 4.47Å; F263-L276 HydrophobicContact CG-CD1 4.3Å; L276-T278 HydrophobicContact CD2-CG2 4.14Å; L276-T278 HydrophobicContact CG-CG2 4.17Å; L276-W297 HydrophobicContact CB-CB 4.16Å; L276-W297 PolarHBondContact N-O 2.97Å; L276-W297 PolarHBondContact O-N 3.26Å; L276-I299 HydrophobicContact CB-CD1 3.97Å; L276-I299 HydrophobicContact CD2-CD1 4.1Å
277V95.5Very high86.1Confident36 Ų3674.7 Ų74.722%0.21838%0.38CS..EExtended strand (participates in β ladder)trans-108.5128.5170.91760000109.6A261 R262 L264 L294 T295 L296A261-V277 CarbonylContact C-O 3.56Å; A261-V277 WeakPolarHBondContact CA-O 3.41Å; R262-V277 PolarHBondContact N-O 2.78Å; R262-V277 PolarHBondContact O-N 2.96Å; L264-V277 HydrophobicContact CD1-CG2 3.69Å; L264-V277 HydrophobicContact CD2-CB 4.49Å; L264-V277 HydrophobicContact CD2-CG2 3.9Å; L264-V277 HydrophobicContact CG-CG2 3.89Å; V277-L294 HydrophobicContact CG1-CD2 4.31Å; V277-T295 CarbonylContact C-O 3.59Å; V277-T295 VanDerWaalsContact CA-O 3.24Å; V277-T295 WeakPolarHBondContact CA-O 3.39Å; V277-L296 HydrophobicContact CG2-CD1 3.65Å
278T94.8Very high86.4Confident0 Ų075.2 Ų75.20%037%0.374CS..EExtended strand (participates in β ladder)trans-115.3141.7174.362.30000111.2L242 I258 F260 A261 L276 L294 T295 W297L242-T278 HydrophobicContact CD1-CG2 4.43Å; I258-T278 HydrophobicContact CD1-CG2 4.23Å; I258-T278 HydrophobicContact CG2-CG2 4.19Å; F260-T278 CarbonylContact O-C 3.59Å; F260-T278 VanDerWaalsContact O-CA 3.28Å; F260-T278 WeakPolarHBondContact O-CA 3.16Å; A261-T278 HydrophobicContact CB-CG2 4.13Å; L276-T278 HydrophobicContact CD2-CG2 4.14Å; L276-T278 HydrophobicContact CG-CG2 4.17Å; T278-L294 WeakPolarHBondContact O-CA 3.5Å; T278-T295 PolarHBondContact N-O 3.02Å; T278-T295 PolarHBondContact O-N 2.86Å; T278-W297 VanDerWaalsContact CG2-NE1 3.34Å; T278-W297 PolarHBondContact OG1-NE1 2.61Å
279C93.5Very high86.8Confident26 Ų2676.3 Ų76.318%0.17638%0.384CS..EExtended strand (participates in β ladder)trans-105.7116.8173.6-177.50000110.2R259 F260 Y293 L294R259-C279 PolarHBondContact N-O 3.26Å; F260-C279 HydrophobicContact CB-CB 4.11Å; F260-C279 HydrophobicContact CD2-CB 4.19Å; F260-C279 PolarHBondContact N-O 2.99Å; F260-C279 PolarHBondContact O-N 3.15Å; C279-Y293 CarbonylContact C-O 3.59Å; C279-Y293 WeakPolarHBondContact CA-O 3.4Å; C279-L294 HydrophobicContact CB-CD2 3.73Å
280S91.2Very high87.7Confident3 Ų370.5 Ų70.52%0.02136%0.364CS..EExtended strand (participates in β ladder)trans-97.6128.8178.5-67.10000110.8R257 C292 Y293R257-S280 CarbonylContact O-C 3.58Å; R257-S280 WeakPolarHBondContact O-CA 3.44Å; S280-C292 WeakPolarHBondContact O-CA 3.44Å; S280-Y293 PolarHBondContact N-O 3.49Å; S280-Y293 PolarHBondContact O-N 2.99Å
281I90.2Very high88.3Confident38 Ų3869 Ų6920%0.19537%0.365CS..EExtended strand (participates in β ladder)trans-115.6151.4178.867.9172.4000110.9Y256 R257 R259Y256-I281 CarbonylContact C-O 3.54Å; Y256-I281 VanDerWaalsContact CA-O 3.3Å; Y256-I281 WeakPolarHBondContact CA-O 3.39Å; Y256-I281 WeakPolarHBondContact CD1-O 3.33Å; R257-I281 HydrophobicContact CG-CG1 4.13Å; R257-I281 PolarHBondContact N-O 3.48Å; R257-I281 PolarHBondContact O-N 3Å; R259-I281 HydrophobicContact CB-CD1 3.75Å; R259-I281 HydrophobicContact CB-CG1 3.9Å; R259-I281 HydrophobicContact CB-CG2 3.96Å; R259-I281 HydrophobicContact CG-CD1 3.93Å
282P89.4Confident88.9Confident22 Ų2268.2 Ų68.214%0.14337%0.366CS..EExtended strand (participates in β ladder)trans-60.5138172-1626000111.4Y256 Q290 A291Y256-P282 HydrophobicContact CD1-CG 4.42Å; Y256-P282 HydrophobicContact CE1-CB 4.29Å; Y256-P282 HydrophobicContact CE1-CG 3.71Å; P282-Q290 HydrophobicContact CB-CB 4.29Å; P282-Q290 VanDerWaalsContact CB-NE2 3.33Å; P282-Q290 HydrophobicContact CG-CB 3.49Å; P282-Q290 VanDerWaalsContact CG-CB 3.49Å; P282-Q290 HydrophobicContact CG-CG 4.29Å; P282-A291 WeakPolarHBondContact CG-O 3.19Å
283V87.3Confident89.2Confident78 Ų7869 Ų6947%0.47336%0.359SS..SBendtrans-77.2-43.1176176.80000110.6K255 R257K255-V283 HydrophobicContact CB-CB 4.28Å; K255-V283 HydrophobicContact CB-CG2 4.19Å; K255-V283 WeakPolarHBondContact O-CB 3.49Å; K255-V283 WeakPolarHBondContact O-CG2 3.44Å; K255-V283 PolarHBondContact O-N 3.4Å; R257-V283 HydrophobicContact CB-CG2 3.96Å; R257-V283 HydrophobicContact CG-CG2 3.92Å
284S86.2Confident89.3Confident62 Ų6274.1 Ų74.143%0.43439%0.387SS..SBendtrans-79130.6176.7540000110.5Q290S284-Q290 PolarHBondContact O-NE2 2.94Å; S284-Q290 PolarHBondContact O-OE1 3.06Å; S284-Q290 VanDerWaalsContact O-OE1 3.12Å
285R84.3Confident89.4Confident249 Ų24974.2 Ų74.294%0.9439%0.389SS*.  trans-76127.7169.6-65-176.8179.1-176.80.1108.8
286S83.6Confident89.3Confident61 Ų6177.8 Ų77.843%0.42741%0.408SS..  trans-121.9150.7170.8-167.80000110.5R288 Q290S286-R288 PolarHBondContact O-N 2.82Å; S286-R288 PolarHBondContact OG-N 3.25Å; S286-Q290 VanDerWaalsContact CB-OE1 3.23Å
287A83.7Confident89.2Confident115 Ų11580.4 Ų80.495%0.9542%0.417SS*.SBendtrans-69.1-23167.600000111.9
288R85.5Confident89Confident209 Ų20986 Ų8679%0.78943%0.434SS*.SBendtrans-77.3146.4174.8-63.5-175.5-178177.50.9109.6S286 Q290S286-R288 PolarHBondContact O-N 2.82Å; S286-R288 PolarHBondContact OG-N 3.25Å; R288-Q290 PolarHBondContact O-N 2.7Å
289K85.6Confident88.8Confident215 Ų21587.2 Ų87.294%0.93544%0.441SS*.  trans-59124.8171.3-66.7-175-179.9179.80109
290Q86.3Confident88.6Confident49 Ų4991.8 Ų91.823%0.22946%0.46CS..  trans-110.7142.8175.2-65.6168.3-84.400108.6P282 S284 S286 R288P282-Q290 HydrophobicContact CB-CB 4.29Å; P282-Q290 VanDerWaalsContact CB-NE2 3.33Å; P282-Q290 HydrophobicContact CG-CB 3.49Å; P282-Q290 VanDerWaalsContact CG-CB 3.49Å; P282-Q290 HydrophobicContact CG-CG 4.29Å; S284-Q290 PolarHBondContact O-NE2 2.94Å; S284-Q290 PolarHBondContact O-OE1 3.06Å; S284-Q290 VanDerWaalsContact O-OE1 3.12Å; S286-Q290 VanDerWaalsContact CB-OE1 3.23Å; R288-Q290 PolarHBondContact O-N 2.7Å
291A88Confident87.9Confident48 Ų4894.9 Ų94.940%0.39747%0.473SS..  trans-72.2153.2176.800000110.7Y256 P282 Y293Y256-A291 WeakPolarHBondContact CE1-O 3.19Å; Y256-A291 PolarHBondContact OH-O 3.1Å; P282-A291 WeakPolarHBondContact CG-O 3.19Å; A291-Y293 HydrophobicContact CB-CE1 4.47Å; A291-Y293 HydrophobicContact CB-CE2 4.34Å
292C89.4Confident86.9Confident76 Ų76103.6 Ų103.651%0.51450%0.503SS..  trans-114.1151.1162.7-62.50000107.6S280S280-C292 WeakPolarHBondContact O-CA 3.44Å
293Y89.4Confident85.5Confident85 Ų85109.8 Ų109.833%0.33354%0.535SS..EExtended strand (participates in β ladder)trans-119.5140.1-177.3-61.2-77.3000110.9V248 Y256 C279 S280 A291V248-Y293 HydrophobicContact CG1-CE2 4.08Å; Y256-Y293 AromaticContact CD1-CD2 3.98Å; Y256-Y293 HydrophobicContact CD1-CD2 3.98Å; Y256-Y293 HydrophobicContact CD1-CE2 4.32Å; Y256-Y293 AromaticContact CE1-CD2 3.57Å; Y256-Y293 HydrophobicContact CE1-CD2 3.57Å; Y256-Y293 AromaticContact CE1-CE2 3.58Å; Y256-Y293 HydrophobicContact CE1-CE2 3.58Å; Y256-Y293 HydrophobicContact CE2-CE2 4.2Å; Y256-Y293 AromaticContact CZ-CE2 3.52Å; C279-Y293 CarbonylContact C-O 3.59Å; C279-Y293 WeakPolarHBondContact CA-O 3.4Å; S280-Y293 PolarHBondContact N-O 3.49Å; S280-Y293 PolarHBondContact O-N 2.99Å; A291-Y293 HydrophobicContact CB-CE1 4.47Å; A291-Y293 HydrophobicContact CB-CE2 4.34Å
294L92.4Very high83.9Confident135 Ų135111.6 Ų111.671%0.70755%0.551SS**EExtended strand (participates in β ladder)trans-101133.3166.9-64.3178.3000108.6V277 T278 C279V277-L294 HydrophobicContact CG1-CD2 4.31Å; T278-L294 WeakPolarHBondContact O-CA 3.5Å; C279-L294 HydrophobicContact CB-CD2 3.73Å
295T92Very high81.5Confident17 Ų17117.4 Ų117.410%0.10459%0.592CS.*EExtended strand (participates in β ladder)trans-117132.3172.9-62.30000109.1M247 V277 T278 W297M247-T295 HydrophobicContact CE-CG2 3.09Å; M247-T295 HydrophobicContact SD-CG2 3.38Å; M247-T295 WeakPolarHBondContact SD-CG2 3.13Å; M247-T295 PolarHBondContact SD-OG1 2.9Å; V277-T295 CarbonylContact C-O 3.59Å; V277-T295 VanDerWaalsContact CA-O 3.24Å; V277-T295 WeakPolarHBondContact CA-O 3.39Å; T278-T295 PolarHBondContact N-O 3.02Å; T278-T295 PolarHBondContact O-N 2.86Å; T295-W297 HydrophobicContact CG2-CD2 4.01Å; T295-W297 HydrophobicContact CG2-CG 4.17Å; T295-W297 HydrophobicContact CG2-CZ2 4.05Å
296L92.8Very high81.3Confident110 Ų110110.9 Ų110.958%0.57657%0.574SS**EExtended strand (participates in β ladder)trans-94.8127.3165.4-178.765.5000110.2L264 L275 V277L264-L296 HydrophobicContact CD1-CD1 3.84Å; L275-L296 HydrophobicContact CB-CD1 4.34Å; L275-L296 HydrophobicContact CD2-CD1 4.4Å; V277-L296 HydrophobicContact CG2-CD1 3.65Å
297W92.1Very high81.2Confident54 Ų54113.5 Ų113.521%0.20558%0.582CS.*EExtended strand (participates in β ladder)trans-112.1140176.3-5585.2000109.8L242 M247 L275 L276 T278 T295L242-W297 HydrophobicContact CB-CH2 4.22Å; L242-W297 HydrophobicContact CB-CZ2 4.17Å; L242-W297 HydrophobicContact CD1-CD2 4.4Å; L242-W297 HydrophobicContact CD1-CZ2 4.47Å; L242-W297 HydrophobicContact CD2-CD2 4.36Å; L242-W297 HydrophobicContact CD2-CE3 4.04Å; L242-W297 HydrophobicContact CD2-CH2 4.33Å; L242-W297 HydrophobicContact CD2-CZ3 4.04Å; M247-W297 HydrophobicContact CE-CH2 4.06Å; M247-W297 HydrophobicContact CE-CZ2 4.1Å; M247-W297 HydrophobicContact CE-CZ3 4.49Å; M247-W297 HydrophobicContact CG-CH2 4.45Å; M247-W297 HydrophobicContact SD-CH2 3.4Å; M247-W297 WeakPolarHBondContact SD-CH2 3.11Å; M247-W297 HydrophobicContact SD-CZ2 3.14Å; M247-W297 WeakPolarHBondContact SD-CZ2 3.25Å; M247-W297 HydrophobicContact SD-CZ3 4.36Å; L275-W297 WeakPolarHBondContact CA-O 3.48Å; L276-W297 HydrophobicContact CB-CB 4.16Å; L276-W297 PolarHBondContact N-O 2.97Å; L276-W297 PolarHBondContact O-N 3.26Å; T278-W297 VanDerWaalsContact CG2-NE1 3.34Å; T278-W297 PolarHBondContact OG1-NE1 2.61Å; T295-W297 HydrophobicContact CG2-CD2 4.01Å; T295-W297 HydrophobicContact CG2-CG 4.17Å; T295-W297 HydrophobicContact CG2-CZ2 4.05Å
298R91.7Very high81.1Confident153 Ų153113.4 Ų113.458%0.57756%0.562SS**EExtended strand (participates in β ladder)trans-109.6118.9168.6-175.6-179.6-177.2-163.9-2.4108.5F273 L275F273-R298 HydrophobicContact CB-CG 4Å; F273-R298 VanDerWaalsContact CD1-NH2 3.32Å; F273-R298 HydrophobicContact CD2-CG 3.88Å; F273-R298 HydrophobicContact CG-CG 3.93Å; L275-R298 HydrophobicContact CD2-CB 4.16Å; L275-R298 HydrophobicContact CD2-CG 4.28Å
299I91Very high80.8Confident26 Ų26107.8 Ų107.813%0.13355%0.548CS..EExtended strand (participates in β ladder)trans-108103.4-177.6-57.6168.5000107.2L218 I230 F263 F273 Q274 L276L218-I299 HydrophobicContact CD1-CG2 4.02Å; I230-I299 HydrophobicContact CD1-CD1 4.11Å; I230-I299 HydrophobicContact CG1-CD1 4.36Å; F263-I299 HydrophobicContact CE1-CD1 3.9Å; F263-I299 HydrophobicContact CZ-CD1 4.42Å; F273-I299 CarbonylContact C-O 3.56Å; F273-I299 WeakPolarHBondContact CA-O 3.24Å; F273-I299 VanDerWaalsContact CB-O 3.32Å; F273-I299 WeakPolarHBondContact CB-O 3.5Å; Q274-I299 HydrophobicContact CB-CB 4.38Å; Q274-I299 PolarHBondContact N-O 3.42Å; Q274-I299 PolarHBondContact O-N 2.84Å; L276-I299 HydrophobicContact CB-CD1 3.97Å; L276-I299 HydrophobicContact CD2-CD1 4.1Å
300E88.5Confident80.5Confident123 Ų123101.1 Ų101.158%0.57552%0.524SS*.EExtended strand (participates in β ladder)trans-73.4131.7177.2-64.1-177.4166.900110.3R302E300-R302 PolarHBondContact O-N 3.07Å
301K76.7Confident80.1Confident67 Ų67104.5 Ų104.529%0.29154%0.544SS..  trans-76.9110.7165.5-66.5-166.5-175.6-170.80106.7D215 D217 D271 S272 D303D215-K301 WeakPolarHBondContact OD2-CE 3.17Å; D215-K301 IonicContact OD2-NZ 3.06Å; D215-K301 PolarHBondContact OD2-NZ 2.83Å; D217-K301 IonicContact OD2-NZ 2.71Å; D217-K301 PolarHBondContact OD2-NZ 3.11Å; D271-K301 WeakPolarHBondContact O-CD 3.38Å; S272-K301 PolarHBondContact O-N 3.19Å; K301-D303 PolarHBondContact O-N 3.5Å
302R69.9Low79.5Confident222 Ų222108.6 Ų108.684%0.83856%0.555SS**  trans-72.5120.5162.9-71.4-173.9179.1179.7-0.5107E300 S304E300-R302 PolarHBondContact O-N 3.07Å; R302-S304 PolarHBondContact O-N 2.72Å; R302-S304 VanDerWaalsContact O-N 3.16Å
303D59.6Low78.8Confident152 Ų152111.1 Ų111.181%0.81356%0.558SS**  trans-54.7121.5162.5-68.3-32.2000106.7K301 S305K301-D303 PolarHBondContact O-N 3.5Å; D303-S305 PolarHBondContact O-N 3.42Å
304S53.7Low77.9Confident115 Ų115113.3 Ų113.380%0.80458%0.576SS**  trans-63.897.2164.247.30000106.4R302R302-S304 PolarHBondContact O-N 2.72Å; R302-S304 VanDerWaalsContact O-N 3.16Å
305S34.3Very low76.6Confident185 Ų185111.3 Ų111.3100%1.29457%0.565SS**  trans-53.80165.457.70000110.9D303D303-S305 PolarHBondContact O-N 3.42Å

Retrieved 305 of 305 residues in 181 ms (Link to these results)

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