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Large ribosomal subunit protein uL6

Component of the large ribosomal subunit1,2. The ribosome is a large ribonucleoprotein complex responsible for the synthesis of proteins in the cell3,4.

AlphaFold DB , UniProt , Accession P32969, Species HUMAN (Homo sapiens, Human), Gene RPL9/RPL9P7/RPL9P8/RPL9P9, Length 192 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
1M85.3Confident93.2Very high227 Ų22785.1 Ų85.1100%1.11844%0.441SS*.  0133.80-168.1173.8-170.100108.8
2K88.8Confident93.2Very high137 Ų13779.6 Ų79.660%0.59641%0.412SS*.  trans-88.6122.4170.4-72.1-173.9177.6-175.30107.9W61K2-W61 HydrophobicContact CB-CE3 4.31Å
3T93.1Very high93.1Very high62 Ų6278 Ų7838%0.3841%0.41SS..EExtended strand (participates in β ladder)trans-75.5130.3176.4-53.90000108.4W61 G62 L67T3-W61 CarbonylContact O-C 3.46Å; T3-W61 WeakPolarHBondContact O-CA 3.32Å; T3-W61 PolarHBondContact O-N 3.09Å; T3-G62 PolarHBondContact N-O 2.9Å; T3-G62 VanDerWaalsContact N-O 3.15Å; T3-G62 PolarHBondContact O-N 2.95Å; T3-L67 WeakPolarHBondContact OG1-CD1 3.33Å
4I94.5Very high92.9Very high102 Ų10283.2 Ų83.252%0.52343%0.431SS..EExtended strand (participates in β ladder)trans-60.2-51.5-174.3-61.7177.7000110.7W60 W61I4-W60 CarbonylContact O-C 3.56Å; I4-W60 WeakPolarHBondContact O-CA 3.5Å; I4-W61 HydrophobicContact CD1-CH2 4.35Å; I4-W61 HydrophobicContact CG1-CE3 4.39Å; I4-W61 HydrophobicContact CG1-CH2 3.81Å; I4-W61 HydrophobicContact CG1-CZ2 4.48Å; I4-W61 HydrophobicContact CG1-CZ3 3.75Å; I4-W61 HydrophobicContact CG2-CH2 4.37Å; I4-W61 HydrophobicContact CG2-CZ2 4.22Å; I4-W61 PolarHBondContact O-N 2.83Å
5L94.6Very high92.7Very high65 Ų6586.3 Ų86.334%0.3445%0.449SS..EExtended strand (participates in β ladder)trans-140.3134.8178176.662.9000109.3D58 W60L5-D58 HydrophobicContact CD1-CB 4.25Å; L5-W60 HydrophobicContact CB-CE3 4.01Å; L5-W60 HydrophobicContact CB-CH2 4.47Å; L5-W60 HydrophobicContact CB-CZ3 3.9Å; L5-W60 HydrophobicContact CD1-CD2 3.84Å; L5-W60 HydrophobicContact CD1-CE3 4Å; L5-W60 HydrophobicContact CD1-CG 4.46Å; L5-W60 HydrophobicContact CD1-CH2 4.09Å; L5-W60 HydrophobicContact CD1-CZ2 3.92Å; L5-W60 HydrophobicContact CD1-CZ3 4.13Å; L5-W60 HydrophobicContact CD2-CH2 3.92Å; L5-W60 HydrophobicContact CD2-CZ2 4.35Å; L5-W60 HydrophobicContact CD2-CZ3 4.19Å; L5-W60 HydrophobicContact CG-CE3 4.48Å; L5-W60 HydrophobicContact CG-CH2 4.38Å; L5-W60 HydrophobicContact CG-CZ3 4.29Å
6S94.4Very high92.8Very high39 Ų3981.3 Ų81.327%0.27342%0.423SS..EExtended strand (participates in β ladder)trans-134.2134.2163.1-176.20000108.5K59S6-K59 PolarHBondContact N-O 3.02Å; S6-K59 PolarHBondContact O-N 3.5Å
7N94.8Very high92.8Very high61 Ų6183.5 Ų83.533%0.32644%0.435SS..EExtended strand (participates in β ladder)trans-144.6158.4-178.863.41.4000112.9V57 D58N7-V57 WeakPolarHBondContact CA-O 3.44Å; N7-V57 WeakPolarHBondContact CB-O 3.03Å; N7-D58 WeakPolarHBondContact CB-OD1 3.29Å; N7-D58 PolarHBondContact ND2-OD1 3.31Å; N7-D58 VanDerWaalsContact ND2-OD1 3.14Å
8Q95.4Very high92.9Very high75 Ų7579.2 Ų79.235%0.3541%0.413SS..EExtended strand (participates in β ladder)trans-141.2152.1170.2-74.5-167.3-16.700109.5R56 V57 V70 C74Q8-R56 WeakPolarHBondContact O-CA 3.36Å; Q8-V57 PolarHBondContact N-O 3.45Å; Q8-V57 VanDerWaalsContact N-O 3.14Å; Q8-V57 PolarHBondContact O-N 3.34Å; Q8-V70 HydrophobicContact CB-CG1 4.23Å; Q8-V70 HydrophobicContact CG-CG1 4.36Å; Q8-C74 VanDerWaalsContact CB-SG 3.57Å
9T95.1Very high93Very high58 Ų5878 Ų7836%0.35641%0.41SS..EExtended strand (participates in β ladder)trans-115142.8176.156.20000110.1L55 R56T9-L55 CarbonylContact C-O 3.58Å; T9-L55 VanDerWaalsContact CA-O 3.27Å; T9-L55 WeakPolarHBondContact CA-O 3.37Å; T9-R56 HydrophobicContact CG2-CB 4.08Å; T9-R56 HydrophobicContact CG2-CG 4.33Å
10V95.4Very high93.1Very high2 Ų276.5 Ų76.51%0.01240%0.402CS..EExtended strand (participates in β ladder)trans-111.7122.8170.5179.30000107.6R54 L55 C74 V77 Q78 I81V10-R54 CarbonylContact O-C 3.5Å; V10-R54 VanDerWaalsContact O-CA 3.3Å; V10-R54 WeakPolarHBondContact O-CA 3.33Å; V10-L55 HydrophobicContact CB-CB 4.4Å; V10-L55 PolarHBondContact N-O 2.85Å; V10-L55 PolarHBondContact O-N 2.86Å; V10-C74 HydrophobicContact CG2-CB 3.56Å; V10-V77 HydrophobicContact CG1-CG1 4.3Å; V10-Q78 HydrophobicContact CG1-CG 3.67Å; V10-Q78 HydrophobicContact CG2-CG 4.32Å; V10-I81 HydrophobicContact CG1-CD1 3.91Å
11D93.5Very high93.1Very high108 Ų10880.7 Ų80.758%0.57842%0.417SS*.EExtended strand (participates in β ladder)trans-74.5136.7173.6-61.9-51.8000110.3R54D11-R54 WeakPolarHBondContact OD1-CD 3.41Å; D11-R54 WeakPolarHBondContact OD1-CG 3.38Å; D11-R54 IonicContact OD1-NE 3.2Å
12I93.6Very high93.4Very high19 Ų1973 Ų7310%0.09740%0.395CS..  trans-108.6119.7-176.4-59166.7000107.5V16 I18 L47 K52 K53 L55 I81I12-V16 HydrophobicContact CG2-CB 4.37Å; I12-V16 HydrophobicContact CG2-CG1 4.46Å; I12-V16 WeakPolarHBondContact CG2-O 3.37Å; I12-I18 HydrophobicContact CD1-CB 4.12Å; I12-I18 HydrophobicContact CD1-CD1 3.61Å; I12-I18 HydrophobicContact CD1-CG1 4.01Å; I12-I18 HydrophobicContact CG1-CD1 3.64Å; I12-I18 HydrophobicContact CG1-CG1 4.32Å; I12-I18 HydrophobicContact CG2-CD1 4.11Å; I12-I18 HydrophobicContact CG2-CG1 4.06Å; I12-L47 HydrophobicContact CD1-CD2 3.86Å; I12-K52 WeakPolarHBondContact CD1-O 3.24Å; I12-K53 WeakPolarHBondContact CB-O 3.41Å; I12-K53 PolarHBondContact N-O 3.13Å; I12-L55 HydrophobicContact CD1-CB 4.17Å; I12-I81 HydrophobicContact CG1-CD1 4.47Å
13P92.5Very high93.6Very high59 Ų5970.6 Ų70.638%0.38338%0.383SS..  trans-68.7157.5177.729.9-34.2000110.9N15 V16 I81P13-N15 PolarHBondContact O-N 3.13Å; P13-V16 HydrophobicContact CG-CB 4.09Å; P13-V16 HydrophobicContact CG-CG2 3.83Å; P13-V16 PolarHBondContact O-N 3.09Å; P13-I81 HydrophobicContact CG-CG2 3.69Å
14E89.4Confident93.8Very high151 Ų15168.1 Ų68.171%0.70637%0.367SS*.THydrogen-bonded Turntrans-67.2-22.4-172.5-53.9-158.7147.200113.4V16 K53E14-V16 PolarHBondContact O-N 3.13Å; E14-K53 IonicContact OE1-NZ 2.72Å; E14-K53 PolarHBondContact OE1-NZ 2.71Å
15N90.2Very high93.9Very high130 Ų13063.2 Ų63.270%0.69534%0.342SS*.THydrogen-bonded Turntrans-82.46.8-180-58.4-13.1000113.5P13P13-N15 PolarHBondContact O-N 3.13Å
16V94Very high94Very high6 Ų662 Ų624%0.03634%0.335CS..  trans-133.9129-173.3178.40000111.3I12 P13 E14 I18 V27 K28 I81 T85I12-V16 HydrophobicContact CG2-CB 4.37Å; I12-V16 HydrophobicContact CG2-CG1 4.46Å; I12-V16 WeakPolarHBondContact CG2-O 3.37Å; P13-V16 HydrophobicContact CG-CB 4.09Å; P13-V16 HydrophobicContact CG-CG2 3.83Å; P13-V16 PolarHBondContact O-N 3.09Å; E14-V16 PolarHBondContact O-N 3.13Å; V16-I18 HydrophobicContact CG1-CG1 4.17Å; V16-V27 HydrophobicContact CG1-CG1 3.51Å; V16-K28 WeakPolarHBondContact CA-O 3.26Å; V16-K28 WeakPolarHBondContact CG1-O 3Å; V16-I81 HydrophobicContact CG1-CG1 4.37Å; V16-I81 HydrophobicContact CG1-CG2 4.47Å; V16-I81 HydrophobicContact CG2-CG2 4.21Å; V16-T85 HydrophobicContact CG2-CG2 3.12Å
17D93.5Very high94.1Very high118 Ų11860.1 Ų60.163%0.63132%0.323SS*.EExtended strand (participates in β ladder)trans-102.9125.9173.8-71.4-42000110.7K28D17-K28 HydrophobicContact CB-CB 4.45Å; D17-K28 PolarHBondContact N-O 2.96Å; D17-K28 PolarHBondContact O-N 3.05Å
18I94.8Very high94.2Very high7 Ų762.4 Ų62.44%0.03633%0.329CS..EExtended strand (participates in β ladder)trans-110.1130.9174.3-55.7-168.1000110.2I12 V16 V25 V27 L47 V77 I81I12-I18 HydrophobicContact CD1-CB 4.12Å; I12-I18 HydrophobicContact CD1-CD1 3.61Å; I12-I18 HydrophobicContact CD1-CG1 4.01Å; I12-I18 HydrophobicContact CG1-CD1 3.64Å; I12-I18 HydrophobicContact CG1-CG1 4.32Å; I12-I18 HydrophobicContact CG2-CD1 4.11Å; I12-I18 HydrophobicContact CG2-CG1 4.06Å; V16-I18 HydrophobicContact CG1-CG1 4.17Å; I18-V25 HydrophobicContact CG2-CG1 3.89Å; I18-V27 HydrophobicContact CD1-CG2 4.26Å; I18-V27 HydrophobicContact CG1-CG1 4.38Å; I18-V27 HydrophobicContact CG1-CG2 4.26Å; I18-L47 HydrophobicContact CB-CD2 4.35Å; I18-L47 HydrophobicContact CG2-CD2 4.24Å; I18-V77 HydrophobicContact CD1-CG1 4.14Å; I18-I81 HydrophobicContact CD1-CD1 3.79Å; I18-I81 HydrophobicContact CD1-CG1 3.92Å
19T94.4Very high94.1Very high56 Ų5660 Ų6034%0.34433%0.325SS..EExtended strand (participates in β ladder)trans-121137.3173.453.80000109.9I26T19-I26 PolarHBondContact N-O 3.39Å; T19-I26 PolarHBondContact O-N 2.71Å; T19-I26 WeakPolarHBondContact OG1-CB 3.12Å; T19-I26 PolarHBondContact OG1-O 2.67Å
20L94Very high94.1Very high48 Ų4861.6 Ų61.625%0.25134%0.336SS..EExtended strand (participates in β ladder)trans-108.4130.3175.7-66.8179000109.2V25 L45 L47 L55L20-V25 HydrophobicContact CD2-CB 4.29Å; L20-V25 HydrophobicContact CD2-CG1 4.32Å; L20-V25 HydrophobicContact CD2-CG2 3.71Å; L20-L45 HydrophobicContact CD1-CB 3.94Å; L20-L45 HydrophobicContact CD2-CB 4.33Å; L20-L45 HydrophobicContact CD2-CD1 4.23Å; L20-L47 HydrophobicContact CB-CD1 4.31Å; L20-L47 HydrophobicContact CD1-CB 4.5Å; L20-L47 HydrophobicContact CD1-CD1 3.96Å; L20-L47 HydrophobicContact CD1-CG 3.67Å; L20-L47 HydrophobicContact CG-CD1 3.74Å; L20-L47 HydrophobicContact CG-CG 3.93Å; L20-L55 HydrophobicContact CD1-CD1 3.75Å; L20-L55 HydrophobicContact CD2-CD1 3.92Å; L20-L55 HydrophobicContact CG-CD1 4.19Å
21K93.8Very high94Very high165 Ų16565.1 Ų65.172%0.71735%0.349SS*.EExtended strand (participates in β ladder)trans-122.591.5168.9-170.4179.5-1801780107.9R23 T24K21-R23 PolarHBondContact O-N 3.48Å; K21-T24 PolarHBondContact N-O 3.48Å; K21-T24 WeakPolarHBondContact O-CB 3.29Å; K21-T24 PolarHBondContact O-N 2.87Å; K21-T24 VanDerWaalsContact O-N 3.09Å
22G91.6Very high94.1Very high65 Ų6561.2 Ų61.267%0.6734%0.335SS*.THydrogen-bonded Turntrans63.2-122.3-168.500000110.7
23R93.7Very high94.2Very high87 Ų8764.7 Ų64.733%0.32836%0.357SS..THydrogen-bonded Turntrans-96.18.2174.3-56.8-174.2-173.998.3-1.4114K21 F38 I41 N42 V43K21-R23 PolarHBondContact O-N 3.48Å; R23-F38 WeakPolarHBondContact O-CB 3.45Å; R23-F38 PolarHBondContact O-N 3.41Å; R23-F38 VanDerWaalsContact O-N 3.12Å; R23-I41 WeakPolarHBondContact CD-O 3.33Å; R23-N42 PolarHBondContact NH2-OD1 2.91Å; R23-V43 WeakPolarHBondContact CD-O 3.39Å; R23-V43 PolarHBondContact NE-O 3.15Å
24T96.1Very high94.4Very high9 Ų963.1 Ų63.16%0.05535%0.345CS..EExtended strand (participates in β ladder)trans-89125.5171.5-56.70000109.7K21 I26 R35 R36 D37K21-T24 PolarHBondContact N-O 3.48Å; K21-T24 WeakPolarHBondContact O-CB 3.29Å; K21-T24 PolarHBondContact O-N 2.87Å; K21-T24 VanDerWaalsContact O-N 3.09Å; T24-I26 HydrophobicContact CG2-CG1 4.42Å; T24-R35 HydrophobicContact CG2-CG 3.84Å; T24-R36 WeakPolarHBondContact CA-O 3.48Å; T24-R36 WeakPolarHBondContact CG2-O 3.42Å; T24-D37 PolarHBondContact OG1-OD1 3.45Å
25V96.2Very high94.8Very high0 Ų064.4 Ų64.40%034%0.344CS..EExtended strand (participates in β ladder)trans-99.8130.3176.8-174.80000108.7I18 L20 V27 R35 R36 F38 L45 V77 M80I18-V25 HydrophobicContact CG2-CG1 3.89Å; L20-V25 HydrophobicContact CD2-CB 4.29Å; L20-V25 HydrophobicContact CD2-CG1 4.32Å; L20-V25 HydrophobicContact CD2-CG2 3.71Å; V25-V27 HydrophobicContact CG1-CG2 3.96Å; V25-R35 WeakPolarHBondContact O-CA 3.16Å; V25-R36 PolarHBondContact N-O 3.16Å; V25-R36 PolarHBondContact O-N 3.15Å; V25-F38 HydrophobicContact CB-CE2 4.31Å; V25-F38 HydrophobicContact CG2-CD2 3.83Å; V25-F38 HydrophobicContact CG2-CE2 3.79Å; V25-L45 HydrophobicContact CG2-CD1 3.83Å; V25-V77 HydrophobicContact CG1-CG2 4.39Å; V25-V77 HydrophobicContact CG2-CG2 4.43Å; V25-M80 HydrophobicContact CB-CE 4.09Å; V25-M80 HydrophobicContact CG1-CE 3.93Å
26I96.9Very high95.1Very high39 Ų3960.5 Ų60.520%0.232%0.319CS..EExtended strand (participates in β ladder)trans-121.9119.7174.5-59.7165.1000107.5T19 T24 K28 L34 R35T19-I26 PolarHBondContact N-O 3.39Å; T19-I26 PolarHBondContact O-N 2.71Å; T19-I26 WeakPolarHBondContact OG1-CB 3.12Å; T19-I26 PolarHBondContact OG1-O 2.67Å; T24-I26 HydrophobicContact CG2-CG1 4.42Å; I26-K28 HydrophobicContact CG2-CG 4.48Å; I26-L34 WeakPolarHBondContact CA-O 3.34Å; I26-R35 HydrophobicContact CG1-CB 4.19Å; I26-R35 HydrophobicContact CG1-CG 3.9Å
27V96.6Very high95.2Very high0 Ų063.6 Ų63.60%034%0.336CS..EExtended strand (participates in β ladder)trans-110.7124.8-178.5-176.20000108.4V16 I18 V25 T33 L34 M80 I81 V84V16-V27 HydrophobicContact CG1-CG1 3.51Å; I18-V27 HydrophobicContact CD1-CG2 4.26Å; I18-V27 HydrophobicContact CG1-CG1 4.38Å; I18-V27 HydrophobicContact CG1-CG2 4.26Å; V25-V27 HydrophobicContact CG1-CG2 3.96Å; V27-T33 CarbonylContact O-C 3.59Å; V27-T33 WeakPolarHBondContact O-CA 3.31Å; V27-L34 PolarHBondContact N-O 3.43Å; V27-L34 PolarHBondContact O-N 2.97Å; V27-M80 HydrophobicContact CB-CB 4.4Å; V27-M80 HydrophobicContact CG2-CB 3.93Å; V27-M80 HydrophobicContact CG2-CE 4.16Å; V27-M80 HydrophobicContact CG2-SD 4.34Å; V27-I81 HydrophobicContact CG1-CG1 4.26Å; V27-V84 HydrophobicContact CG1-CB 4.39Å; V27-V84 HydrophobicContact CG1-CG2 4.21Å
28K96.5Very high95.3Very high108 Ų10858 Ų5847%0.4731%0.306SS..EExtended strand (participates in β ladder)trans-119145.4175.6-57.2-166.3175.61800110V16 D17 I26 T33V16-K28 WeakPolarHBondContact CA-O 3.26Å; V16-K28 WeakPolarHBondContact CG1-O 3Å; D17-K28 HydrophobicContact CB-CB 4.45Å; D17-K28 PolarHBondContact N-O 2.96Å; D17-K28 PolarHBondContact O-N 3.05Å; I26-K28 HydrophobicContact CG2-CG 4.48Å; K28-T33 HydrophobicContact CB-CG2 4.06Å; K28-T33 HydrophobicContact CD-CG2 3.95Å; K28-T33 HydrophobicContact CG-CG2 3.6Å
29G94.2Very high95.3Very high25 Ų2561.8 Ų61.826%0.25833%0.326SS..EExtended strand (participates in β ladder)trans-175.8-161.6176.700000110.3R31 G32G29-R31 PolarHBondContact O-N 3.11Å; G29-G32 PolarHBondContact N-O 3.39Å; G29-G32 VanDerWaalsContact N-O 3.08Å; G29-G32 PolarHBondContact O-N 3.36Å; G29-G32 VanDerWaalsContact O-O 3.12Å
30P94.8Very high95.2Very high92 Ų9266.1 Ų66.160%0.59734%0.342SS*.THydrogen-bonded Turntrans-66.4-35.3-160.823.7-33.8000114V84P30-V84 WeakPolarHBondContact CD-O 3.44Å
31R94.2Very high95.2Very high75 Ų7564.9 Ų64.928%0.28334%0.335SS..THydrogen-bonded Turntrans-86.4-7.5-178.6-58.618063.995.62.8114.1G29 V84 T85 G87 N149G29-R31 PolarHBondContact O-N 3.11Å; R31-V84 VanDerWaalsContact CB-O 3.23Å; R31-V84 WeakPolarHBondContact CB-O 3.22Å; R31-V84 WeakPolarHBondContact CG-O 3.45Å; R31-V84 PolarHBondContact N-O 3.3Å; R31-T85 WeakPolarHBondContact CD-O 3.4Å; R31-G87 VanDerWaalsContact CD-N 3.32Å; R31-N149 PolarHBondContact NE-OD1 3.21Å; R31-N149 PolarHBondContact O-ND2 2.74Å; R31-N149 VanDerWaalsContact O-ND2 3.15Å
32G94.6Very high95.1Very high26 Ų2662.1 Ų62.127%0.26833%0.328SS..EExtended strand (participates in β ladder)trans140.3-149.7-179.700000113.8G29 V84G29-G32 PolarHBondContact N-O 3.39Å; G29-G32 VanDerWaalsContact N-O 3.08Å; G29-G32 PolarHBondContact O-N 3.36Å; G29-G32 VanDerWaalsContact O-O 3.12Å; G32-V84 WeakPolarHBondContact O-CG1 3.3Å
33T96.4Very high95.1Very high93 Ų9359.2 Ų59.257%0.57130%0.298SS*.EExtended strand (participates in β ladder)trans-133.3132.2-173.565.80000110.9V27 K28V27-T33 CarbonylContact O-C 3.59Å; V27-T33 WeakPolarHBondContact O-CA 3.31Å; K28-T33 HydrophobicContact CB-CG2 4.06Å; K28-T33 HydrophobicContact CD-CG2 3.95Å; K28-T33 HydrophobicContact CG-CG2 3.6Å
34L97Very high95.2Very high25 Ų2559.9 Ų59.913%0.13130%0.304CS..EExtended strand (participates in β ladder)trans-115.6144172.3-67.3179.3000110.2I26 V27 M80 V84 N149 D150I26-L34 WeakPolarHBondContact CA-O 3.34Å; V27-L34 PolarHBondContact N-O 3.43Å; V27-L34 PolarHBondContact O-N 2.97Å; L34-M80 HydrophobicContact CD1-CB 4.39Å; L34-M80 HydrophobicContact CD1-CG 4.39Å; L34-V84 HydrophobicContact CB-CG2 4.01Å; L34-V84 HydrophobicContact CD1-CG2 3.68Å; L34-V84 HydrophobicContact CG-CG2 3.59Å; L34-N149 HydrophobicContact CD1-CB 4.37Å; L34-N149 HydrophobicContact CD2-CB 4.17Å; L34-N149 HydrophobicContact CG-CB 4.46Å; L34-D150 HydrophobicContact CD1-CB 4.37Å; L34-D150 HydrophobicContact CD2-CB 4.1Å
35R96.8Very high95.1Very high179 Ų17960.5 Ų60.568%0.67531%0.307SS*.EExtended strand (participates in β ladder)trans-129.1132.8176.8173.6176.9173.8-168.6-2.6109T24 V25 I26T24-R35 HydrophobicContact CG2-CG 3.84Å; V25-R35 WeakPolarHBondContact O-CA 3.16Å; I26-R35 HydrophobicContact CG1-CB 4.19Å; I26-R35 HydrophobicContact CG1-CG 3.9Å
36R96.1Very high95Very high48 Ų4862 Ų6218%0.18132%0.317CS..EExtended strand (participates in β ladder)trans-137.8137.1174.9-172.2167.8-177.6147.85.3111.6T24 V25 F38 H76 M80 E152T24-R36 WeakPolarHBondContact CA-O 3.48Å; T24-R36 WeakPolarHBondContact CG2-O 3.42Å; V25-R36 PolarHBondContact N-O 3.16Å; V25-R36 PolarHBondContact O-N 3.15Å; R36-F38 HydrophobicContact CB-CE2 4.35Å; R36-F38 HydrophobicContact CB-CZ 4.46Å; R36-F38 VanDerWaalsContact CD-CZ 3.47Å; R36-F38 HydrophobicContact CG-CE1 4.17Å; R36-F38 HydrophobicContact CG-CE2 4.1Å; R36-F38 HydrophobicContact CG-CZ 3.85Å; R36-H76 VanDerWaalsContact CZ-ND1 3.35Å; R36-H76 PolarHBondContact NH1-ND1 3.41Å; R36-H76 PolarHBondContact NH2-CE1 3.32Å; R36-H76 PolarHBondContact NH2-ND1 2.78Å; R36-H76 PolarHBondContact NH2-NE2 2.94Å; R36-M80 HydrophobicContact CB-CE 4.16Å; R36-M80 HydrophobicContact CB-SD 3.51Å; R36-M80 VanDerWaalsContact CB-SD 3.51Å; R36-E152 IonicContact CZ-OE1 2.86Å; R36-E152 IonicContact CZ-OE2 2.69Å; R36-E152 IonicContact NH1-OE1 3.18Å; R36-E152 PolarHBondContact NH1-OE1 3.09Å; R36-E152 IonicContact NH1-OE2 3.42Å; R36-E152 PolarHBondContact NH1-OE2 2.85Å; R36-E152 IonicContact NH2-OE1 3.17Å; R36-E152 PolarHBondContact NH2-OE1 2.87Å; R36-E152 IonicContact NH2-OE2 3.13Å; R36-E152 PolarHBondContact NH2-OE2 2.91Å
37D96.2Very high94.8Very high71 Ų7162.1 Ų62.138%0.3832%0.319SS..EExtended strand (participates in β ladder)trans-101.5126.7178.6-168.717.5000111.9T24 N39T24-D37 PolarHBondContact OG1-OD1 3.45Å; D37-N39 VanDerWaalsContact CG-ND2 3.26Å; D37-N39 PolarHBondContact OD1-N 3.2Å; D37-N39 VanDerWaalsContact OD1-N 3.1Å; D37-N39 PolarHBondContact OD1-ND2 2.99Å; D37-N39 PolarHBondContact OD2-ND2 2.81Å
38F95.7Very high94.5Very high1 Ų165 Ų650%0.00433%0.334CS..  trans-110.920.5175.2-60.9-73.2000112.7R23 V25 R36 H40 I41 I73 H76 V77 M80R23-F38 WeakPolarHBondContact O-CB 3.45Å; R23-F38 PolarHBondContact O-N 3.41Å; R23-F38 VanDerWaalsContact O-N 3.12Å; V25-F38 HydrophobicContact CB-CE2 4.31Å; V25-F38 HydrophobicContact CG2-CD2 3.83Å; V25-F38 HydrophobicContact CG2-CE2 3.79Å; R36-F38 HydrophobicContact CB-CE2 4.35Å; R36-F38 HydrophobicContact CB-CZ 4.46Å; R36-F38 VanDerWaalsContact CD-CZ 3.47Å; R36-F38 HydrophobicContact CG-CE1 4.17Å; R36-F38 HydrophobicContact CG-CE2 4.1Å; R36-F38 HydrophobicContact CG-CZ 3.85Å; F38-H40 PolarHBondContact O-N 2.9Å; F38-H40 VanDerWaalsContact O-N 3.08Å; F38-I41 HydrophobicContact CD1-CD1 4.27Å; F38-I41 PolarHBondContact O-N 3.13Å; F38-I41 VanDerWaalsContact O-O 3.09Å; F38-I73 HydrophobicContact CD1-CD1 4.48Å; F38-I73 HydrophobicContact CD1-CG1 4.01Å; F38-I73 HydrophobicContact CD2-CG2 4.32Å; F38-I73 HydrophobicContact CE1-CG1 4.16Å; F38-I73 HydrophobicContact CE2-CG2 4.17Å; F38-I73 HydrophobicContact CG-CG1 4.42Å; F38-I73 HydrophobicContact CZ-CG2 4.25Å; F38-H76 HydrophobicContact CE1-CB 4.14Å; F38-H76 HydrophobicContact CZ-CB 3.76Å; F38-V77 HydrophobicContact CE2-CG2 4.39Å; F38-M80 HydrophobicContact CE2-CE 4.29Å; F38-M80 HydrophobicContact CZ-CE 4.5Å
39N94.5Very high93.9Very high86 Ų8662.7 Ų62.746%0.4634%0.34SS..THydrogen-bonded Turntrans-55.6-26.3178-78.9-31.7000114.7D37 I41D37-N39 VanDerWaalsContact CG-ND2 3.26Å; D37-N39 PolarHBondContact OD1-N 3.2Å; D37-N39 VanDerWaalsContact OD1-N 3.1Å; D37-N39 PolarHBondContact OD1-ND2 2.99Å; D37-N39 PolarHBondContact OD2-ND2 2.81Å; N39-I41 PolarHBondContact O-N 3.2Å
40H94.1Very high93Very high146 Ų14672.2 Ų72.268%0.67638%0.375SS*.THydrogen-bonded Turntrans-70.6-15.9175.664.8-79.1000113.5F38F38-H40 PolarHBondContact O-N 2.9Å; F38-H40 VanDerWaalsContact O-N 3.08Å
41I93.1Very high92.1Very high23 Ų2375.7 Ų75.712%0.11838%0.38CS..SBendtrans-109.3119.5178.3-50.5176.8000108.4R23 F38 N39 V43 T69 I73R23-I41 WeakPolarHBondContact CD-O 3.33Å; F38-I41 HydrophobicContact CD1-CD1 4.27Å; F38-I41 PolarHBondContact O-N 3.13Å; F38-I41 VanDerWaalsContact O-O 3.09Å; N39-I41 PolarHBondContact O-N 3.2Å; I41-V43 HydrophobicContact CG2-CG1 3.85Å; I41-V43 HydrophobicContact CG2-CG2 4.22Å; I41-V43 PolarHBondContact O-N 3.18Å; I41-T69 HydrophobicContact CG2-CG2 4.39Å; I41-I73 HydrophobicContact CB-CD1 4.21Å; I41-I73 HydrophobicContact CD1-CD1 3.88Å; I41-I73 HydrophobicContact CD1-CG1 3.9Å; I41-I73 HydrophobicContact CG2-CD1 3.98Å
42N91.7Very high91.7Very high106 Ų10677.3 Ų77.357%0.56739%0.39SS*.  trans-79.985.9175.9-170.414.3000110.9R23 K59R23-N42 PolarHBondContact NH2-OD1 2.91Å; N42-K59 WeakPolarHBondContact O-CD 3.47Å; N42-K59 PolarHBondContact O-NZ 3.28Å
43V92.8Very high91.4Very high5 Ų580.7 Ų80.73%0.0340%0.397CS..  trans-129.3163.2172.2-72.50000110.7R23 I41 L45 V57 K59 I73R23-V43 WeakPolarHBondContact CD-O 3.39Å; R23-V43 PolarHBondContact NE-O 3.15Å; I41-V43 HydrophobicContact CG2-CG1 3.85Å; I41-V43 HydrophobicContact CG2-CG2 4.22Å; I41-V43 PolarHBondContact O-N 3.18Å; V43-L45 HydrophobicContact CG2-CD2 4.36Å; V43-L45 HydrophobicContact CG2-CG 4.48Å; V43-V57 HydrophobicContact CB-CG1 4.33Å; V43-V57 HydrophobicContact CG1-CG1 4.45Å; V43-V57 HydrophobicContact CG2-CG1 4.42Å; V43-K59 HydrophobicContact CG1-CB 4.37Å; V43-K59 HydrophobicContact CG1-CD 4.05Å; V43-I73 HydrophobicContact CB-CD1 4.34Å; V43-I73 HydrophobicContact CG1-CD1 4.17Å; V43-I73 HydrophobicContact CG2-CD1 3.37Å
44E94.6Very high91.2Very high100 Ų10082.6 Ų82.647%0.46739%0.393SS..EExtended strand (participates in β ladder)trans-99.5130.1170.7-177.9176.8-172.700109.2D58 W60E44-D58 HydrophobicContact CB-CB 4.22Å; E44-D58 PolarHBondContact N-O 3.15Å; E44-D58 PolarHBondContact O-N 2.93Å; E44-W60 PolarHBondContact OE2-NE1 3.41Å
45L94.7Very high91.1Very high23 Ų2381.4 Ų81.412%0.1239%0.387CS..EExtended strand (participates in β ladder)trans-115.6123.9177.4-63.3-179.3000108.7L20 V25 V43 V57 I73L20-L45 HydrophobicContact CD1-CB 3.94Å; L20-L45 HydrophobicContact CD2-CB 4.33Å; L20-L45 HydrophobicContact CD2-CD1 4.23Å; V25-L45 HydrophobicContact CG2-CD1 3.83Å; V43-L45 HydrophobicContact CG2-CD2 4.36Å; V43-L45 HydrophobicContact CG2-CG 4.48Å; L45-V57 HydrophobicContact CD2-CB 4.08Å; L45-V57 HydrophobicContact CD2-CG1 3.85Å; L45-V57 HydrophobicContact CD2-CG2 3.64Å; L45-I73 HydrophobicContact CD2-CG2 4.19Å
46S94.1Very high91Very high30 Ų3077.1 Ų77.121%0.2137%0.371CS..EExtended strand (participates in β ladder)trans-129.3137.8178.758.20000111R56S46-R56 PolarHBondContact N-O 2.73Å; S46-R56 PolarHBondContact O-N 2.91Å; S46-R56 WeakPolarHBondContact OG-CB 3.39Å
47L93Very high91Very high43 Ų4374.8 Ų74.823%0.22536%0.362CS..EExtended strand (participates in β ladder)trans-94.6119170.8-77163.7000108.5I12 I18 L20 K52 L55I12-L47 HydrophobicContact CD1-CD2 3.86Å; I18-L47 HydrophobicContact CB-CD2 4.35Å; I18-L47 HydrophobicContact CG2-CD2 4.24Å; L20-L47 HydrophobicContact CB-CD1 4.31Å; L20-L47 HydrophobicContact CD1-CB 4.5Å; L20-L47 HydrophobicContact CD1-CD1 3.96Å; L20-L47 HydrophobicContact CD1-CG 3.67Å; L20-L47 HydrophobicContact CG-CD1 3.74Å; L20-L47 HydrophobicContact CG-CG 3.93Å; L47-K52 HydrophobicContact CB-CB 4.36Å; L47-K52 HydrophobicContact CB-CG 4.15Å; L47-K52 HydrophobicContact CD1-CD 4.05Å; L47-K52 HydrophobicContact CD1-CG 4.39Å; L47-K52 HydrophobicContact CD2-CB 4.3Å; L47-L55 HydrophobicContact CD2-CB 4.26Å; L47-L55 HydrophobicContact CD2-CD1 3.88Å; L47-L55 HydrophobicContact CG-CD1 4.18Å
48L89.7Confident91Very high61 Ų6172 Ų7232%0.31935%0.347SS..EExtended strand (participates in β ladder)trans-101.4146.7-177-66.2168.6000111.6K52 K53 R54 R56L48-K52 CarbonylContact O-C 3.57Å; L48-K52 WeakPolarHBondContact O-CA 3.4Å; L48-K53 PolarHBondContact O-N 2.86Å; L48-R54 HydrophobicContact CB-CB 4.41Å; L48-R54 PolarHBondContact N-O 2.77Å; L48-R54 PolarHBondContact O-N 3.49Å; L48-R56 HydrophobicContact CD1-CB 3.52Å; L48-R56 HydrophobicContact CD1-CG 4.24Å; L48-R56 HydrophobicContact CG-CB 4.13Å
49G83.1Confident91Very high59 Ų5972.9 Ų72.961%0.60835%0.351SS*.SBendtrans89.6154.9175.100000113.9K51 K52G49-K51 VanDerWaalsContact C-N 3.26Å; G49-K51 PolarHBondContact O-N 2.85Å; G49-K52 PolarHBondContact O-N 2.8Å
50K75.6Confident91Very high225 Ų22574.8 Ų74.898%0.97835%0.352SS*.THydrogen-bonded Turntrans-57.9-36.1-176.6-66.6-175.6177.6-178.40113.3
51K77.1Confident91.1Very high165 Ų16575.1 Ų75.172%0.71735%0.347SS*.THydrogen-bonded Turntrans-99.417.9175.7-63.3-172.2178.1-174.50113.3G49 K53G49-K51 VanDerWaalsContact C-N 3.26Å; G49-K51 PolarHBondContact O-N 2.85Å; K51-K53 HydrophobicContact CB-CG 4.03Å; K51-K53 PolarHBondContact O-N 2.81Å
52K84.1Confident91.1Very high109 Ų10974 Ų7447%0.47434%0.342SS..  trans51.642.7-177.5-61.4170.1169.3-179.60112.7I12 L47 L48 G49 R54I12-K52 WeakPolarHBondContact CD1-O 3.24Å; L47-K52 HydrophobicContact CB-CB 4.36Å; L47-K52 HydrophobicContact CB-CG 4.15Å; L47-K52 HydrophobicContact CD1-CD 4.05Å; L47-K52 HydrophobicContact CD1-CG 4.39Å; L47-K52 HydrophobicContact CD2-CB 4.3Å; L48-K52 CarbonylContact O-C 3.57Å; L48-K52 WeakPolarHBondContact O-CA 3.4Å; G49-K52 PolarHBondContact O-N 2.8Å; K52-R54 VanDerWaalsContact C-N 3.26Å; K52-R54 PolarHBondContact O-N 3.4Å
53K88.8Confident91.2Very high97 Ų9772 Ų7242%0.42233%0.331SS..  trans-72.2-17-174-69.2-159.5167.1-154.20113.7I12 E14 L48 K51I12-K53 WeakPolarHBondContact CB-O 3.41Å; I12-K53 PolarHBondContact N-O 3.13Å; E14-K53 IonicContact OE1-NZ 2.72Å; E14-K53 PolarHBondContact OE1-NZ 2.71Å; L48-K53 PolarHBondContact O-N 2.86Å; K51-K53 HydrophobicContact CB-CG 4.03Å; K51-K53 PolarHBondContact O-N 2.81Å
54R93.2Very high91.3Very high132 Ų13282.6 Ų82.650%0.49837%0.37SS..EExtended strand (participates in β ladder)trans-135134.1179.3-55.9-169.9-158.5171.17.2111.2V10 D11 L48 K52V10-R54 CarbonylContact O-C 3.5Å; V10-R54 VanDerWaalsContact O-CA 3.3Å; V10-R54 WeakPolarHBondContact O-CA 3.33Å; D11-R54 WeakPolarHBondContact OD1-CD 3.41Å; D11-R54 WeakPolarHBondContact OD1-CG 3.38Å; D11-R54 IonicContact OD1-NE 3.2Å; L48-R54 HydrophobicContact CB-CB 4.41Å; L48-R54 PolarHBondContact N-O 2.77Å; L48-R54 PolarHBondContact O-N 3.49Å; K52-R54 VanDerWaalsContact C-N 3.26Å; K52-R54 PolarHBondContact O-N 3.4Å
55L94.3Very high91.3Very high0 Ų086.5 Ų86.50%039%0.386CS..EExtended strand (participates in β ladder)trans-92.3121.8164.4179.372.5000108.3T9 V10 I12 L20 L47 V77T9-L55 CarbonylContact C-O 3.58Å; T9-L55 VanDerWaalsContact CA-O 3.27Å; T9-L55 WeakPolarHBondContact CA-O 3.37Å; V10-L55 HydrophobicContact CB-CB 4.4Å; V10-L55 PolarHBondContact N-O 2.85Å; V10-L55 PolarHBondContact O-N 2.86Å; I12-L55 HydrophobicContact CD1-CB 4.17Å; L20-L55 HydrophobicContact CD1-CD1 3.75Å; L20-L55 HydrophobicContact CD2-CD1 3.92Å; L20-L55 HydrophobicContact CG-CD1 4.19Å; L47-L55 HydrophobicContact CD2-CB 4.26Å; L47-L55 HydrophobicContact CD2-CD1 3.88Å; L47-L55 HydrophobicContact CG-CD1 4.18Å; L55-V77 HydrophobicContact CD2-CB 4.15Å; L55-V77 HydrophobicContact CD2-CG1 3.73Å; L55-V77 HydrophobicContact CD2-CG2 3.7Å
56R95.1Very high91.2Very high89 Ų8988.9 Ų88.934%0.33640%0.396SS..EExtended strand (participates in β ladder)trans-101133.8171.8174.5179.9-87.3-177.6-3.8109.7Q8 T9 S46 L48 D58Q8-R56 WeakPolarHBondContact O-CA 3.36Å; T9-R56 HydrophobicContact CG2-CB 4.08Å; T9-R56 HydrophobicContact CG2-CG 4.33Å; S46-R56 PolarHBondContact N-O 2.73Å; S46-R56 PolarHBondContact O-N 2.91Å; S46-R56 WeakPolarHBondContact OG-CB 3.39Å; L48-R56 HydrophobicContact CD1-CB 3.52Å; L48-R56 HydrophobicContact CD1-CG 4.24Å; L48-R56 HydrophobicContact CG-CB 4.13Å; R56-D58 VanDerWaalsContact CD-OD1 3.22Å; R56-D58 WeakPolarHBondContact CD-OD1 3.28Å; R56-D58 WeakPolarHBondContact CD-OD2 3.45Å; R56-D58 VanDerWaalsContact CG-OD1 3.31Å; R56-D58 WeakPolarHBondContact CG-OD1 3.49Å; R56-D58 WeakPolarHBondContact CG-OD2 3.27Å
57V96.1Very high91.2Very high0 Ų089.1 Ų89.10%040%0.395CS..EExtended strand (participates in β ladder)trans-112.2114.2172.9-173.70000106.8N7 Q8 V43 L45 V70 I73N7-V57 WeakPolarHBondContact CA-O 3.44Å; N7-V57 WeakPolarHBondContact CB-O 3.03Å; Q8-V57 PolarHBondContact N-O 3.45Å; Q8-V57 VanDerWaalsContact N-O 3.14Å; Q8-V57 PolarHBondContact O-N 3.34Å; V43-V57 HydrophobicContact CB-CG1 4.33Å; V43-V57 HydrophobicContact CG1-CG1 4.45Å; V43-V57 HydrophobicContact CG2-CG1 4.42Å; L45-V57 HydrophobicContact CD2-CB 4.08Å; L45-V57 HydrophobicContact CD2-CG1 3.85Å; L45-V57 HydrophobicContact CD2-CG2 3.64Å; V57-V70 HydrophobicContact CB-CG1 4.21Å; V57-V70 HydrophobicContact CG1-CG1 4.05Å; V57-I73 HydrophobicContact CG1-CB 4.32Å; V57-I73 HydrophobicContact CG1-CD1 4.32Å; V57-I73 HydrophobicContact CG1-CG2 4.31Å; V57-I73 HydrophobicContact CG2-CG2 3.96Å
58D95Very high91.3Very high12 Ų1289.9 Ų89.96%0.06441%0.407CS..EExtended strand (participates in β ladder)trans-111.1137.9-179.2-64.3-52.6000110.3L5 N7 E44 R56L5-D58 HydrophobicContact CD1-CB 4.25Å; N7-D58 WeakPolarHBondContact CB-OD1 3.29Å; N7-D58 PolarHBondContact ND2-OD1 3.31Å; N7-D58 VanDerWaalsContact ND2-OD1 3.14Å; E44-D58 HydrophobicContact CB-CB 4.22Å; E44-D58 PolarHBondContact N-O 3.15Å; E44-D58 PolarHBondContact O-N 2.93Å; R56-D58 VanDerWaalsContact CD-OD1 3.22Å; R56-D58 WeakPolarHBondContact CD-OD1 3.28Å; R56-D58 WeakPolarHBondContact CD-OD2 3.45Å; R56-D58 VanDerWaalsContact CG-OD1 3.31Å; R56-D58 WeakPolarHBondContact CG-OD1 3.49Å; R56-D58 WeakPolarHBondContact CG-OD2 3.27Å
59K95.5Very high91.6Very high19 Ų1988.8 Ų88.88%0.08340%0.404CS..EExtended strand (participates in β ladder)trans-128.4114.4168.7-177.667.6-176.1-171.30109.8S6 N42 V43 E66 L67 V70S6-K59 PolarHBondContact N-O 3.02Å; S6-K59 PolarHBondContact O-N 3.5Å; N42-K59 WeakPolarHBondContact O-CD 3.47Å; N42-K59 PolarHBondContact O-NZ 3.28Å; V43-K59 HydrophobicContact CG1-CB 4.37Å; V43-K59 HydrophobicContact CG1-CD 4.05Å; K59-E66 WeakPolarHBondContact CE-OE2 3.29Å; K59-E66 IonicContact NZ-OE2 3.32Å; K59-E66 PolarHBondContact NZ-OE2 3.29Å; K59-L67 HydrophobicContact CG-CD2 4.44Å; K59-V70 HydrophobicContact CB-CG2 3.44Å; K59-V70 VanDerWaalsContact CB-CG2 3.44Å; K59-V70 HydrophobicContact CG-CG2 4.32Å
60W95.7Very high92.2Very high127 Ų12786.1 Ų86.148%0.48138%0.375SS..EExtended strand (participates in β ladder)trans-86.8142173-6195.2000111I4 L5 E44 G62I4-W60 CarbonylContact O-C 3.56Å; I4-W60 WeakPolarHBondContact O-CA 3.5Å; L5-W60 HydrophobicContact CB-CE3 4.01Å; L5-W60 HydrophobicContact CB-CH2 4.47Å; L5-W60 HydrophobicContact CB-CZ3 3.9Å; L5-W60 HydrophobicContact CD1-CD2 3.84Å; L5-W60 HydrophobicContact CD1-CE3 4Å; L5-W60 HydrophobicContact CD1-CG 4.46Å; L5-W60 HydrophobicContact CD1-CH2 4.09Å; L5-W60 HydrophobicContact CD1-CZ2 3.92Å; L5-W60 HydrophobicContact CD1-CZ3 4.13Å; L5-W60 HydrophobicContact CD2-CH2 3.92Å; L5-W60 HydrophobicContact CD2-CZ2 4.35Å; L5-W60 HydrophobicContact CD2-CZ3 4.19Å; L5-W60 HydrophobicContact CG-CE3 4.48Å; L5-W60 HydrophobicContact CG-CH2 4.38Å; L5-W60 HydrophobicContact CG-CZ3 4.29Å; E44-W60 PolarHBondContact OE2-NE1 3.41Å; W60-G62 PolarHBondContact O-N 2.88Å; W60-G62 VanDerWaalsContact O-N 3.11Å
61W95.4Very high93.1Very high152 Ų15283.5 Ų83.558%0.57636%0.359SS*.EExtended strand (participates in β ladder)trans52.734.3172.7-58.9106.7000114.9K2 T3 I4K2-W61 HydrophobicContact CB-CE3 4.31Å; T3-W61 CarbonylContact O-C 3.46Å; T3-W61 WeakPolarHBondContact O-CA 3.32Å; T3-W61 PolarHBondContact O-N 3.09Å; I4-W61 HydrophobicContact CD1-CH2 4.35Å; I4-W61 HydrophobicContact CG1-CE3 4.39Å; I4-W61 HydrophobicContact CG1-CH2 3.81Å; I4-W61 HydrophobicContact CG1-CZ2 4.48Å; I4-W61 HydrophobicContact CG1-CZ3 3.75Å; I4-W61 HydrophobicContact CG2-CH2 4.37Å; I4-W61 HydrophobicContact CG2-CZ2 4.22Å; I4-W61 PolarHBondContact O-N 2.83Å
62G92.8Very high94Very high0 Ų078.7 Ų78.70%034%0.344CS..EExtended strand (participates in β ladder)trans-73.2138.4-176.300000113.1T3 W60T3-G62 PolarHBondContact N-O 2.9Å; T3-G62 VanDerWaalsContact N-O 3.15Å; T3-G62 PolarHBondContact O-N 2.95Å; W60-G62 PolarHBondContact O-N 2.88Å; W60-G62 VanDerWaalsContact O-N 3.11Å
63N94.6Very high94.6Very high63 Ų6373.5 Ų73.534%0.33732%0.321SS..  trans-78.5169.3162.36735000110.5K65 E66 L67N63-K65 PolarHBondContact O-N 3.06Å; N63-K65 VanDerWaalsContact O-N 3.11Å; N63-K65 PolarHBondContact OD1-N 2.93Å; N63-K65 VanDerWaalsContact OD1-N 3.12Å; N63-E66 PolarHBondContact ND2-OE1 2.82Å; N63-E66 PolarHBondContact O-N 2.85Å; N63-E66 VanDerWaalsContact O-N 3.12Å; N63-E66 WeakPolarHBondContact OD1-CB 3.42Å; N63-E66 VanDerWaalsContact OD1-CG 3.29Å; N63-E66 WeakPolarHBondContact OD1-CG 3.33Å; N63-E66 PolarHBondContact OD1-N 3.36Å; N63-L67 VanDerWaalsContact O-CG 3.22Å; N63-L67 WeakPolarHBondContact O-CG 3.12Å; N63-L67 PolarHBondContact O-N 2.97Å
64R94.3Very high95Very high229 Ų22969 Ų6986%0.86430%0.302SS*.Hα-helixtrans-52.4-37.8-177.7-174.1178178.8-177.20.5114.1
65K94.2Very high95.2Very high182 Ų18265 Ų6579%0.79129%0.294SS*.Hα-helixtrans-73.9-40.4-179-68.9-174176.9-177.10111.9N63 A68N63-K65 PolarHBondContact O-N 3.06Å; N63-K65 VanDerWaalsContact O-N 3.11Å; N63-K65 PolarHBondContact OD1-N 2.93Å; N63-K65 VanDerWaalsContact OD1-N 3.12Å; K65-A68 WeakPolarHBondContact O-CB 3.33Å; K65-A68 PolarHBondContact O-N 2.76Å
66E93.9Very high95.3Very high72 Ų7266.7 Ų66.734%0.33630%0.302SS..Hα-helixtrans-70.3-38.2178.4-70.6171.2-144.500111.9K59 N63 A68 T69K59-E66 WeakPolarHBondContact CE-OE2 3.29Å; K59-E66 IonicContact NZ-OE2 3.32Å; K59-E66 PolarHBondContact NZ-OE2 3.29Å; N63-E66 PolarHBondContact ND2-OE1 2.82Å; N63-E66 PolarHBondContact O-N 2.85Å; N63-E66 VanDerWaalsContact O-N 3.12Å; N63-E66 WeakPolarHBondContact OD1-CB 3.42Å; N63-E66 VanDerWaalsContact OD1-CG 3.29Å; N63-E66 WeakPolarHBondContact OD1-CG 3.33Å; N63-E66 PolarHBondContact OD1-N 3.36Å; E66-A68 PolarHBondContact O-N 2.8Å; E66-T69 WeakPolarHBondContact O-CB 3.35Å; E66-T69 PolarHBondContact O-N 3.19Å; E66-T69 PolarHBondContact O-OG1 3.41Å
67L94.2Very high95.4Very high35 Ų3562.5 Ų62.518%0.18329%0.286CS..Hα-helixtrans-59.6-32.1176.5-67.9174.1000112.2T3 K59 N63 T69 V70T3-L67 WeakPolarHBondContact OG1-CD1 3.33Å; K59-L67 HydrophobicContact CG-CD2 4.44Å; N63-L67 VanDerWaalsContact O-CG 3.22Å; N63-L67 WeakPolarHBondContact O-CG 3.12Å; N63-L67 PolarHBondContact O-N 2.97Å; L67-T69 PolarHBondContact O-N 3.41Å; L67-V70 PolarHBondContact O-N 3.49Å
68A94.7Very high95.4Very high59 Ų5967.2 Ų67.249%0.48831%0.308SS..Hα-helixtrans-61.7-31.7176.700000112.8K65 E66 V70 T72K65-A68 WeakPolarHBondContact O-CB 3.33Å; K65-A68 PolarHBondContact O-N 2.76Å; E66-A68 PolarHBondContact O-N 2.8Å; A68-V70 VanDerWaalsContact C-N 3.28Å; A68-V70 PolarHBondContact O-N 3.02Å; A68-T72 PolarHBondContact O-OG1 3.45Å
69T95.4Very high95.5Very high39 Ų3969.1 Ų69.124%0.23932%0.319CS..Hα-helixtrans-69.9-22.9-178.366.10000113.8I41 E66 L67 R71 T72 I73I41-T69 HydrophobicContact CG2-CG2 4.39Å; E66-T69 WeakPolarHBondContact O-CB 3.35Å; E66-T69 PolarHBondContact O-N 3.19Å; E66-T69 PolarHBondContact O-OG1 3.41Å; L67-T69 PolarHBondContact O-N 3.41Å; T69-R71 PolarHBondContact O-N 3.32Å; T69-T72 PolarHBondContact O-N 3Å; T69-I73 WeakPolarHBondContact O-CG1 3.29Å; T69-I73 PolarHBondContact O-N 3.15Å
70V95.4Very high95.5Very high2 Ų268.6 Ų68.61%0.01232%0.316CS..Hα-helixtrans-58.2-51.8179177.10000109.9Q8 V57 K59 L67 A68 T72 I73 C74Q8-V70 HydrophobicContact CB-CG1 4.23Å; Q8-V70 HydrophobicContact CG-CG1 4.36Å; V57-V70 HydrophobicContact CB-CG1 4.21Å; V57-V70 HydrophobicContact CG1-CG1 4.05Å; K59-V70 HydrophobicContact CB-CG2 3.44Å; K59-V70 VanDerWaalsContact CB-CG2 3.44Å; K59-V70 HydrophobicContact CG-CG2 4.32Å; L67-V70 PolarHBondContact O-N 3.49Å; A68-V70 VanDerWaalsContact C-N 3.28Å; A68-V70 PolarHBondContact O-N 3.02Å; V70-T72 PolarHBondContact O-N 2.85Å; V70-I73 PolarHBondContact O-N 2.91Å; V70-C74 PolarHBondContact O-N 2.83Å; V70-C74 PolarHBondContact O-SG 2.75Å; V70-C74 VanDerWaalsContact O-SG 3.38Å
71R95.7Very high95.6Very high170 Ų17063.2 Ų63.264%0.64230%0.297SS*.Hα-helixtrans-66.8-37.1178.2-175.6171.1-176.8160.41.6112.2T69 I73 C74 S75T69-R71 PolarHBondContact O-N 3.32Å; R71-I73 VanDerWaalsContact C-N 3.32Å; R71-I73 PolarHBondContact O-N 3.11Å; R71-C74 WeakPolarHBondContact O-CB 3.35Å; R71-C74 PolarHBondContact O-N 2.78Å; R71-S75 PolarHBondContact O-N 3.12Å; R71-S75 PolarHBondContact O-OG 3.15Å
72T96.7Very high95.6Very high65 Ų6560.4 Ų60.440%0.39929%0.289SS..Hα-helixtrans-59.6-43.1177.7-56.20000111.7A68 T69 V70 S75 H76A68-T72 PolarHBondContact O-OG1 3.45Å; T69-T72 PolarHBondContact O-N 3Å; V70-T72 PolarHBondContact O-N 2.85Å; T72-S75 PolarHBondContact O-N 2.68Å; T72-H76 WeakPolarHBondContact CG2-NE2 3.46Å; T72-H76 PolarHBondContact O-CD2 3.18Å; T72-H76 PolarHBondContact O-N 2.96Å
73I96Very high95.8Very high0 Ų060.4 Ų60.40%029%0.289CS..Hα-helixtrans-63.7-44.4175.5-66.4172.8000110.3F38 I41 V43 L45 V57 T69 V70 R71 S75 H76 V77F38-I73 HydrophobicContact CD1-CD1 4.48Å; F38-I73 HydrophobicContact CD1-CG1 4.01Å; F38-I73 HydrophobicContact CD2-CG2 4.32Å; F38-I73 HydrophobicContact CE1-CG1 4.16Å; F38-I73 HydrophobicContact CE2-CG2 4.17Å; F38-I73 HydrophobicContact CG-CG1 4.42Å; F38-I73 HydrophobicContact CZ-CG2 4.25Å; I41-I73 HydrophobicContact CB-CD1 4.21Å; I41-I73 HydrophobicContact CD1-CD1 3.88Å; I41-I73 HydrophobicContact CD1-CG1 3.9Å; I41-I73 HydrophobicContact CG2-CD1 3.98Å; V43-I73 HydrophobicContact CB-CD1 4.34Å; V43-I73 HydrophobicContact CG1-CD1 4.17Å; V43-I73 HydrophobicContact CG2-CD1 3.37Å; L45-I73 HydrophobicContact CD2-CG2 4.19Å; V57-I73 HydrophobicContact CG1-CB 4.32Å; V57-I73 HydrophobicContact CG1-CD1 4.32Å; V57-I73 HydrophobicContact CG1-CG2 4.31Å; V57-I73 HydrophobicContact CG2-CG2 3.96Å; T69-I73 WeakPolarHBondContact O-CG1 3.29Å; T69-I73 PolarHBondContact O-N 3.15Å; V70-I73 PolarHBondContact O-N 2.91Å; R71-I73 VanDerWaalsContact C-N 3.32Å; R71-I73 PolarHBondContact O-N 3.11Å; I73-S75 VanDerWaalsContact C-N 3.3Å; I73-S75 PolarHBondContact O-N 3.02Å; I73-H76 PolarHBondContact O-N 3.28Å; I73-V77 HydrophobicContact CG2-CG2 4.36Å; I73-V77 WeakPolarHBondContact O-CG2 2.96Å; I73-V77 PolarHBondContact O-N 2.89Å
74C96Very high95.8Very high3 Ų357.4 Ų57.42%0.0227%0.273CS..Hα-helixtrans-56.2-45.4175.1-65.60000111.8Q8 V10 V70 R71 V77 Q78Q8-C74 VanDerWaalsContact CB-SG 3.57Å; V10-C74 HydrophobicContact CG2-CB 3.56Å; V70-C74 PolarHBondContact O-N 2.83Å; V70-C74 PolarHBondContact O-SG 2.75Å; V70-C74 VanDerWaalsContact O-SG 3.38Å; R71-C74 WeakPolarHBondContact O-CB 3.35Å; R71-C74 PolarHBondContact O-N 2.78Å; C74-V77 PolarHBondContact O-N 3.31Å; C74-Q78 WeakPolarHBondContact O-CB 3.42Å; C74-Q78 WeakPolarHBondContact O-CG 3.5Å; C74-Q78 PolarHBondContact O-N 3.13Å
75S97.5Very high95.9Very high46 Ų4647.7 Ų47.732%0.32224%0.239SC..Hα-helixtrans-64.2-40.4177.3-62.50000112.8R71 T72 I73 V77 Q78 N79R71-S75 PolarHBondContact O-N 3.12Å; R71-S75 PolarHBondContact O-OG 3.15Å; T72-S75 PolarHBondContact O-N 2.68Å; I73-S75 VanDerWaalsContact C-N 3.3Å; I73-S75 PolarHBondContact O-N 3.02Å; S75-V77 VanDerWaalsContact C-N 3.35Å; S75-Q78 PolarHBondContact O-N 3.26Å; S75-N79 WeakPolarHBondContact O-CB 3.43Å; S75-N79 VanDerWaalsContact O-CG 3.32Å; S75-N79 PolarHBondContact O-N 3.07Å; S75-N79 PolarHBondContact O-ND2 2.96Å
76H97.3Very high96Very high37 Ų3740.5 Ų40.517%0.17121%0.209CC..Hα-helixtrans-63.6-41.4174.6-73-55.3000111.9R36 F38 T72 I73 N79 M80 E152R36-H76 VanDerWaalsContact CZ-ND1 3.35Å; R36-H76 PolarHBondContact NH1-ND1 3.41Å; R36-H76 PolarHBondContact NH2-CE1 3.32Å; R36-H76 PolarHBondContact NH2-ND1 2.78Å; R36-H76 PolarHBondContact NH2-NE2 2.94Å; F38-H76 HydrophobicContact CE1-CB 4.14Å; F38-H76 HydrophobicContact CZ-CB 3.76Å; T72-H76 WeakPolarHBondContact CG2-NE2 3.46Å; T72-H76 PolarHBondContact O-CD2 3.18Å; T72-H76 PolarHBondContact O-N 2.96Å; I73-H76 PolarHBondContact O-N 3.28Å; H76-N79 PolarHBondContact O-N 3.08Å; H76-M80 WeakPolarHBondContact O-CG 3.37Å; H76-M80 PolarHBondContact O-N 3.42Å; H76-E152 IonicContact CE1-OE1 2.74Å; H76-E152 PolarHBondContact CE1-OE1 2.92Å; H76-E152 IonicContact ND1-OE1 2.74Å; H76-E152 PolarHBondContact ND1-OE1 2.95Å
77V96.2Very high96.1Very high0 Ų037 Ų370%019%0.193CC..Hα-helixtrans-66.3-43.6176.8176.80000111.3V10 I18 V25 F38 L55 I73 C74 S75 N79 M80 I81V10-V77 HydrophobicContact CG1-CG1 4.3Å; I18-V77 HydrophobicContact CD1-CG1 4.14Å; V25-V77 HydrophobicContact CG1-CG2 4.39Å; V25-V77 HydrophobicContact CG2-CG2 4.43Å; F38-V77 HydrophobicContact CE2-CG2 4.39Å; L55-V77 HydrophobicContact CD2-CB 4.15Å; L55-V77 HydrophobicContact CD2-CG1 3.73Å; L55-V77 HydrophobicContact CD2-CG2 3.7Å; I73-V77 HydrophobicContact CG2-CG2 4.36Å; I73-V77 WeakPolarHBondContact O-CG2 2.96Å; I73-V77 PolarHBondContact O-N 2.89Å; C74-V77 PolarHBondContact O-N 3.31Å; S75-V77 VanDerWaalsContact C-N 3.35Å; V77-N79 VanDerWaalsContact C-N 3.29Å; V77-N79 PolarHBondContact O-N 3.3Å; V77-M80 HydrophobicContact CB-CE 4.17Å; V77-M80 HydrophobicContact CG2-CE 3.7Å; V77-M80 PolarHBondContact O-N 3.13Å; V77-M80 VanDerWaalsContact O-N 3.14Å; V77-I81 HydrophobicContact CG1-CD1 3.95Å; V77-I81 HydrophobicContact CG1-CG1 4.32Å; V77-I81 VanDerWaalsContact O-CG1 3.29Å; V77-I81 WeakPolarHBondContact O-CG1 3.16Å; V77-I81 PolarHBondContact O-N 3.1Å
78Q96.4Very high96.2Very high100 Ų10035.8 Ų35.847%0.46719%0.186SC..Hα-helixtrans-57.5-42.4174-75.5174.5-25.500111.9V10 C74 S75 I81 K82V10-Q78 HydrophobicContact CG1-CG 3.67Å; V10-Q78 HydrophobicContact CG2-CG 4.32Å; C74-Q78 WeakPolarHBondContact O-CB 3.42Å; C74-Q78 WeakPolarHBondContact O-CG 3.5Å; C74-Q78 PolarHBondContact O-N 3.13Å; S75-Q78 PolarHBondContact O-N 3.26Å; Q78-I81 PolarHBondContact O-N 3.2Å; Q78-K82 WeakPolarHBondContact O-CB 3.46Å; Q78-K82 PolarHBondContact O-N 3.42Å
79N97.4Very high96.3Very high52 Ų5236.3 Ų36.328%0.27818%0.175SC..Hα-helixtrans-66.7-39175.6-73.5-23.5000112.5S75 H76 V77 K82 G83 F88 I151S75-N79 WeakPolarHBondContact O-CB 3.43Å; S75-N79 VanDerWaalsContact O-CG 3.32Å; S75-N79 PolarHBondContact O-N 3.07Å; S75-N79 PolarHBondContact O-ND2 2.96Å; H76-N79 PolarHBondContact O-N 3.08Å; V77-N79 VanDerWaalsContact C-N 3.29Å; V77-N79 PolarHBondContact O-N 3.3Å; N79-K82 PolarHBondContact O-N 3.17Å; N79-G83 PolarHBondContact O-N 3.13Å; N79-F88 HydrophobicContact CB-CZ 4.36Å; N79-F88 WeakPolarHBondContact O-CE2 3.39Å; N79-I151 HydrophobicContact CB-CG2 4.1Å
80M96.9Very high96.4Very high8 Ų835.2 Ų35.24%0.03917%0.167CC..Hα-helixtrans-62.7-44.7174-73-172.6-65.200111.5V25 V27 L34 R36 F38 H76 V77 G83 V84V25-M80 HydrophobicContact CB-CE 4.09Å; V25-M80 HydrophobicContact CG1-CE 3.93Å; V27-M80 HydrophobicContact CB-CB 4.4Å; V27-M80 HydrophobicContact CG2-CB 3.93Å; V27-M80 HydrophobicContact CG2-CE 4.16Å; V27-M80 HydrophobicContact CG2-SD 4.34Å; L34-M80 HydrophobicContact CD1-CB 4.39Å; L34-M80 HydrophobicContact CD1-CG 4.39Å; R36-M80 HydrophobicContact CB-CE 4.16Å; R36-M80 HydrophobicContact CB-SD 3.51Å; R36-M80 VanDerWaalsContact CB-SD 3.51Å; F38-M80 HydrophobicContact CE2-CE 4.29Å; F38-M80 HydrophobicContact CZ-CE 4.5Å; H76-M80 WeakPolarHBondContact O-CG 3.37Å; H76-M80 PolarHBondContact O-N 3.42Å; V77-M80 HydrophobicContact CB-CE 4.17Å; V77-M80 HydrophobicContact CG2-CE 3.7Å; V77-M80 PolarHBondContact O-N 3.13Å; V77-M80 VanDerWaalsContact O-N 3.14Å; M80-G83 PolarHBondContact O-N 3.32Å; M80-V84 VanDerWaalsContact O-CG2 3.31Å; M80-V84 WeakPolarHBondContact O-CG2 3.39Å; M80-V84 PolarHBondContact O-N 3.35Å
81I96.1Very high96.5Very high13 Ų1337.5 Ų37.57%0.06718%0.176CC..Hα-helixtrans-58.1-53.7175.6-66.7168.6000109.4V10 I12 P13 V16 I18 V27 V77 Q78 G83 V84 T85V10-I81 HydrophobicContact CG1-CD1 3.91Å; I12-I81 HydrophobicContact CG1-CD1 4.47Å; P13-I81 HydrophobicContact CG-CG2 3.69Å; V16-I81 HydrophobicContact CG1-CG1 4.37Å; V16-I81 HydrophobicContact CG1-CG2 4.47Å; V16-I81 HydrophobicContact CG2-CG2 4.21Å; I18-I81 HydrophobicContact CD1-CD1 3.79Å; I18-I81 HydrophobicContact CD1-CG1 3.92Å; V27-I81 HydrophobicContact CG1-CG1 4.26Å; V77-I81 HydrophobicContact CG1-CD1 3.95Å; V77-I81 HydrophobicContact CG1-CG1 4.32Å; V77-I81 VanDerWaalsContact O-CG1 3.29Å; V77-I81 WeakPolarHBondContact O-CG1 3.16Å; V77-I81 PolarHBondContact O-N 3.1Å; Q78-I81 PolarHBondContact O-N 3.2Å; I81-G83 VanDerWaalsContact C-N 3.29Å; I81-G83 PolarHBondContact O-N 3.37Å; I81-V84 PolarHBondContact O-N 2.93Å; I81-T85 WeakPolarHBondContact O-CG2 3.5Å; I81-T85 PolarHBondContact O-N 2.72Å; I81-T85 PolarHBondContact O-OG1 2.69Å
82K95.9Very high96.5Very high94 Ų9429.4 Ų29.441%0.40915%0.146SC..Hα-helixtrans-58.2-39.5179.4-174.8170.3-178.7170.30112.7Q78 N79 T85 L86 G87 F88 T186Q78-K82 WeakPolarHBondContact O-CB 3.46Å; Q78-K82 PolarHBondContact O-N 3.42Å; N79-K82 PolarHBondContact O-N 3.17Å; K82-T85 WeakPolarHBondContact CA-OG1 3.49Å; K82-T85 PolarHBondContact O-OG1 3.38Å; K82-L86 HydrophobicContact CG-CD1 4.27Å; K82-L86 WeakPolarHBondContact O-CA 3.38Å; K82-L86 WeakPolarHBondContact O-CB 3.49Å; K82-L86 PolarHBondContact O-N 2.87Å; K82-G87 PolarHBondContact O-N 3.01Å; K82-F88 HydrophobicContact CB-CZ 4.19Å; K82-F88 HydrophobicContact CD-CE1 4.17Å; K82-F88 HydrophobicContact CD-CZ 4.33Å; K82-F88 HydrophobicContact CG-CE1 4.31Å; K82-F88 HydrophobicContact CG-CZ 4.15Å; K82-T186 HydrophobicContact CD-CG2 4.37Å; K82-T186 HydrophobicContact CG-CG2 4.32Å
83G96.5Very high96.5Very high0 Ų029.5 Ų29.50%014%0.139CC..Hα-helixtrans-68.2-38.2179.100000113.8N79 M80 I81 G87 N149N79-G83 PolarHBondContact O-N 3.13Å; M80-G83 PolarHBondContact O-N 3.32Å; I81-G83 VanDerWaalsContact C-N 3.29Å; I81-G83 PolarHBondContact O-N 3.37Å; G83-G87 WeakPolarHBondContact O-CA 3.13Å; G83-G87 PolarHBondContact O-N 3.27Å; G83-G87 VanDerWaalsContact O-N 3.09Å; G83-N149 CarbonylContact C-O 3.57Å; G83-N149 WeakPolarHBondContact CA-O 3.16Å
84V96.4Very high96.5Very high0 Ų030 Ų300%014%0.142CC..Hα-helixtrans-78.9-27.4178.71760000112.3V27 P30 R31 G32 L34 M80 I81V27-V84 HydrophobicContact CG1-CB 4.39Å; V27-V84 HydrophobicContact CG1-CG2 4.21Å; P30-V84 WeakPolarHBondContact CD-O 3.44Å; R31-V84 VanDerWaalsContact CB-O 3.23Å; R31-V84 WeakPolarHBondContact CB-O 3.22Å; R31-V84 WeakPolarHBondContact CG-O 3.45Å; R31-V84 PolarHBondContact N-O 3.3Å; G32-V84 WeakPolarHBondContact O-CG1 3.3Å; L34-V84 HydrophobicContact CB-CG2 4.01Å; L34-V84 HydrophobicContact CD1-CG2 3.68Å; L34-V84 HydrophobicContact CG-CG2 3.59Å; M80-V84 VanDerWaalsContact O-CG2 3.31Å; M80-V84 WeakPolarHBondContact O-CG2 3.39Å; M80-V84 PolarHBondContact O-N 3.35Å; I81-V84 PolarHBondContact O-N 2.93Å
85T95.2Very high96.5Very high24 Ų2432.9 Ų32.915%0.14716%0.16CC..Hα-helixtrans-83.8-59.917552.50000112V16 R31 I81 K82 Q188V16-T85 HydrophobicContact CG2-CG2 3.12Å; R31-T85 WeakPolarHBondContact CD-O 3.4Å; I81-T85 WeakPolarHBondContact O-CG2 3.5Å; I81-T85 PolarHBondContact O-N 2.72Å; I81-T85 PolarHBondContact O-OG1 2.69Å; K82-T85 WeakPolarHBondContact CA-OG1 3.49Å; K82-T85 PolarHBondContact O-OG1 3.38Å; T85-Q188 PolarHBondContact O-OE1 2.71Å
86L95.7Very high96.3Very high31 Ų3134 Ų3416%0.16216%0.157CC..THydrogen-bonded Turntrans-101.4-23.5-168.8-56.8178.1000113.3K82 T186 V187 Q188 A190K82-L86 HydrophobicContact CG-CD1 4.27Å; K82-L86 WeakPolarHBondContact O-CA 3.38Å; K82-L86 WeakPolarHBondContact O-CB 3.49Å; K82-L86 PolarHBondContact O-N 2.87Å; L86-T186 HydrophobicContact CB-CG2 3.94Å; L86-T186 HydrophobicContact CD1-CG2 4.19Å; L86-V187 WeakPolarHBondContact O-CB 3.41Å; L86-V187 PolarHBondContact O-N 3.19Å; L86-Q188 HydrophobicContact CD2-CB 4.24Å; L86-Q188 PolarHBondContact O-N 2.94Å; L86-A190 HydrophobicContact CD1-CB 4.11Å
87G96.2Very high96.1Very high0 Ų036.4 Ų36.40%018%0.184CC..  trans71.1158.1-171.300000112.6R31 K82 G83 T186 V187R31-G87 VanDerWaalsContact CD-N 3.32Å; K82-G87 PolarHBondContact O-N 3.01Å; G83-G87 WeakPolarHBondContact O-CA 3.13Å; G83-G87 PolarHBondContact O-N 3.27Å; G83-G87 VanDerWaalsContact O-N 3.09Å; G87-T186 WeakPolarHBondContact O-CA 3.39Å; G87-T186 VanDerWaalsContact O-CB 3.24Å; G87-T186 WeakPolarHBondContact O-CB 3.33Å; G87-T186 WeakPolarHBondContact O-CG2 3.12Å; G87-V187 PolarHBondContact O-N 2.88Å
88F97.4Very high96Very high9 Ų943.5 Ų43.54%0.03922%0.216CC..EExtended strand (participates in β ladder)trans-103.7138.2175-68.2-76.7000110.9N79 K82 E147 G148 N149 I151 V154N79-F88 HydrophobicContact CB-CZ 4.36Å; N79-F88 WeakPolarHBondContact O-CE2 3.39Å; K82-F88 HydrophobicContact CB-CZ 4.19Å; K82-F88 HydrophobicContact CD-CE1 4.17Å; K82-F88 HydrophobicContact CD-CZ 4.33Å; K82-F88 HydrophobicContact CG-CE1 4.31Å; K82-F88 HydrophobicContact CG-CZ 4.15Å; F88-E147 WeakPolarHBondContact O-CA 3.24Å; F88-G148 PolarHBondContact N-O 2.74Å; F88-G148 PolarHBondContact O-N 2.94Å; F88-G148 VanDerWaalsContact O-N 3.12Å; F88-N149 WeakPolarHBondContact CD2-O 3.46Å; F88-I151 HydrophobicContact CD1-CB 4.35Å; F88-I151 HydrophobicContact CD1-CD1 4.18Å; F88-I151 HydrophobicContact CD1-CG1 4.22Å; F88-I151 HydrophobicContact CD2-CB 3.84Å; F88-I151 HydrophobicContact CE1-CB 4.23Å; F88-I151 HydrophobicContact CE1-CD1 3.82Å; F88-I151 HydrophobicContact CE1-CG1 4.23Å; F88-I151 HydrophobicContact CE2-CB 3.7Å; F88-I151 HydrophobicContact CE2-CG2 4.5Å; F88-I151 HydrophobicContact CG-CB 4.16Å; F88-I151 HydrophobicContact CG-CG1 4.37Å; F88-I151 HydrophobicContact CZ-CB 3.91Å; F88-I151 HydrophobicContact CZ-CD1 4.15Å; F88-I151 HydrophobicContact CZ-CG1 4.4Å; F88-V154 HydrophobicContact CB-CG2 4.48Å
89R96.5Very high95.9Very high70 Ų7043.3 Ų43.326%0.26421%0.214SC..EExtended strand (participates in β ladder)trans-128.2118.8174.9-178-178.7-74.6147.8-9.5109.3I145 L146 E147 G185 V187R89-I145 HydrophobicContact CG-CG2 3.53Å; R89-L146 CarbonylContact C-O 3.41Å; R89-L146 WeakPolarHBondContact CA-O 3.48Å; R89-E147 HydrophobicContact CG-CG 4.27Å; R89-E147 IonicContact CZ-OE1 3.55Å; R89-E147 IonicContact NE-OE1 2.74Å; R89-E147 PolarHBondContact NE-OE1 2.95Å; R89-E147 IonicContact NH2-OE1 3.52Å; R89-E147 PolarHBondContact NH2-OE1 3.42Å; R89-G185 PolarHBondContact N-O 2.86Å; R89-G185 CarbonylContact O-C 3.49Å; R89-G185 PolarHBondContact O-N 3.2Å; R89-G185 VanDerWaalsContact O-O 3.13Å; R89-V187 HydrophobicContact CB-CG2 3.96Å; R89-V187 PolarHBondContact NH1-O 3.31Å
90Y97.5Very high95.8Very high15 Ų1543.8 Ų43.86%0.05922%0.22CC..EExtended strand (participates in β ladder)trans-108.7122.6173.6-81.930000108I145 L146 V154 A158 V181 E183 K184Y90-I145 WeakPolarHBondContact O-CA 3.19Å; Y90-L146 PolarHBondContact N-O 2.9Å; Y90-L146 PolarHBondContact O-N 3.38Å; Y90-V154 HydrophobicContact CD1-CG1 3.93Å; Y90-V154 HydrophobicContact CD2-CG1 4.25Å; Y90-V154 HydrophobicContact CE1-CG1 4.45Å; Y90-V154 HydrophobicContact CG-CG1 3.83Å; Y90-A158 HydrophobicContact CD2-CB 4.16Å; Y90-V181 HydrophobicContact CD2-CG1 4.07Å; Y90-V181 HydrophobicContact CD2-CG2 4.49Å; Y90-E183 WeakPolarHBondContact CA-O 3.41Å; Y90-K184 HydrophobicContact CD1-CB 4.24Å; Y90-K184 HydrophobicContact CD1-CG 4.22Å; Y90-K184 HydrophobicContact CD2-CG 4.22Å; Y90-K184 HydrophobicContact CE1-CB 3.91Å; Y90-K184 HydrophobicContact CE1-CD 4.38Å; Y90-K184 HydrophobicContact CE1-CG 3.93Å; Y90-K184 HydrophobicContact CE2-CD 4.02Å; Y90-K184 HydrophobicContact CE2-CG 3.93Å; Y90-K184 HydrophobicContact CG-CG 4.35Å
91K96.9Very high95.7Very high50 Ų5043.8 Ų43.822%0.21722%0.22CC..EExtended strand (participates in β ladder)trans-94131.6170.8-55.7-176.4-168158.80108.5E143 L144 S182 E183K91-E143 HydrophobicContact CB-CG 4.35Å; K91-E143 WeakPolarHBondContact CD-OE1 3.48Å; K91-L144 CarbonylContact C-O 3.57Å; K91-L144 WeakPolarHBondContact CA-O 3.29Å; K91-S182 PolarHBondContact O-N 2.82Å; K91-S182 PolarHBondContact O-OG 2.81Å; K91-S182 VanDerWaalsContact O-OG 3.13Å; K91-E183 HydrophobicContact CB-CB 4.08Å; K91-E183 HydrophobicContact CD-CB 4.29Å; K91-E183 WeakPolarHBondContact CD-OE2 3.43Å; K91-E183 WeakPolarHBondContact CE-OE2 3.35Å; K91-E183 HydrophobicContact CG-CB 4.36Å; K91-E183 PolarHBondContact N-O 3.21Å; K91-E183 IonicContact NZ-OE1 2.82Å; K91-E183 IonicContact NZ-OE2 3.48Å; K91-E183 PolarHBondContact NZ-OE2 2.83Å; K91-E183 PolarHBondContact O-N 3.12Å
92M97Very high95.6Very high0 Ų047.4 Ų47.40%024%0.24CC..EExtended strand (participates in β ladder)trans-118.6137.8175.3-59.7-170.979.500109.7E143 L144 L146 A158 I161 Q162 I179 Y180 V181M92-E143 CarbonylContact O-C 3.58Å; M92-E143 VanDerWaalsContact O-CA 3.32Å; M92-E143 WeakPolarHBondContact O-CA 3.4Å; M92-L144 HydrophobicContact CB-CB 4.14Å; M92-L144 PolarHBondContact N-O 2.94Å; M92-L144 PolarHBondContact O-N 3.43Å; M92-L146 HydrophobicContact CG-CD1 3.71Å; M92-L146 HydrophobicContact SD-CD1 3.45Å; M92-L146 WeakPolarHBondContact SD-CD1 3.38Å; M92-A158 HydrophobicContact CE-CB 4.29Å; M92-A158 VanDerWaalsContact CE-O 3.27Å; M92-A158 WeakPolarHBondContact CE-O 3.16Å; M92-A158 HydrophobicContact SD-CB 3.71Å; M92-I161 HydrophobicContact CE-CB 4.29Å; M92-I161 HydrophobicContact CE-CG2 4.27Å; M92-I161 HydrophobicContact SD-CB 4.3Å; M92-I161 HydrophobicContact SD-CD1 4.04Å; M92-I161 HydrophobicContact SD-CG2 4.35Å; M92-Q162 HydrophobicContact CE-CB 4.14Å; M92-I179 HydrophobicContact CB-CG2 3.8Å; M92-I179 HydrophobicContact CE-CG2 3.79Å; M92-I179 HydrophobicContact SD-CG2 4.23Å; M92-Y180 CarbonylContact C-O 3.57Å; M92-Y180 WeakPolarHBondContact CA-O 3.46Å; M92-Y180 WeakPolarHBondContact CB-O 3.39Å; M92-V181 HydrophobicContact CE-CG2 3.84Å; M92-V181 HydrophobicContact CG-CG2 4.01Å; M92-V181 HydrophobicContact SD-CG2 4.33Å
93R96.1Very high95.6Very high68 Ų6844.6 Ų44.626%0.25723%0.23SC..EExtended strand (participates in β ladder)trans-106.9131.1178.6-64.7-70-64.3161.17.3109.7K141 I179 Y180 S182R93-K141 VanDerWaalsContact CZ-O 3.3Å; R93-K141 PolarHBondContact NH1-O 3.37Å; R93-K141 PolarHBondContact NH2-O 3.28Å; R93-K141 VanDerWaalsContact NH2-O 3.12Å; R93-I179 WeakPolarHBondContact O-CA 3.15Å; R93-Y180 PolarHBondContact N-O 3.2Å; R93-Y180 PolarHBondContact O-N 3.37Å; R93-S182 WeakPolarHBondContact CG-OG 3.47Å
94S95.5Very high95.5Very high10 Ų1047.7 Ų47.77%0.0725%0.249CC..EExtended strand (participates in β ladder)trans-81.4123.9167.4167.40000109D142S94-D142 PolarHBondContact N-O 3.25Å
95V96Very high95.4Very high64 Ų6449.9 Ų49.939%0.38826%0.26SS..EExtended strand (participates in β ladder)trans-117.9127.4179-178.20000107.7I101 D177 G178 Y180V95-I101 WeakPolarHBondContact O-CD1 3.47Å; V95-D177 WeakPolarHBondContact O-CA 3.49Å; V95-G178 PolarHBondContact N-O 3.21Å; V95-G178 PolarHBondContact O-N 3.37Å; V95-Y180 HydrophobicContact CG2-CD2 4.22Å
96Y94.5Very high95.3Very high69 Ų6952.3 Ų52.327%0.27127%0.27SS..  trans-143.1148.1176.454.6-88.5000111.3F99 P100 I101 D142 D177Y96-F99 VanDerWaalsContact CB-O 3.3Å; Y96-F99 WeakPolarHBondContact CB-O 3.46Å; Y96-P100 HydrophobicContact CD2-CB 4.37Å; Y96-P100 HydrophobicContact CD2-CG 4.48Å; Y96-P100 HydrophobicContact CE2-CB 4.04Å; Y96-P100 HydrophobicContact CE2-CG 4.12Å; Y96-I101 HydrophobicContact CD1-CG1 4.5Å; Y96-D142 WeakPolarHBondContact CE1-OD2 3.38Å; Y96-D142 PolarHBondContact OH-OD2 2.88Å; Y96-D177 WeakPolarHBondContact CA-OD1 3.27Å
97A92.6Very high95.2Very high87 Ų8755.3 Ų55.372%0.71928%0.283SS*.SBendtrans-89.3-49.1176.900000112.5D177A97-D177 PolarHBondContact N-OD1 2.87Å
98H94.3Very high94.9Very high149 Ų14963.4 Ų63.469%0.6933%0.326SS*.SBendtrans-131.9-47.8-173.8-173-84.7000113.2P100H98-P100 VanDerWaalsContact O-CD 3.31Å; H98-P100 WeakPolarHBondContact O-CD 3.42Å
99F94.3Very high94.6Very high97 Ų9763.1 Ų63.143%0.42533%0.326SS..SBendtrans-89.6112.7179.8-64.3-74.5000110.4Y96 I101Y96-F99 VanDerWaalsContact CB-O 3.3Å; Y96-F99 WeakPolarHBondContact CB-O 3.46Å; F99-I101 PolarHBondContact O-N 2.64Å
100P94.6Very high94.5Very high61 Ų6162.2 Ų62.240%0.39633%0.33SS..PPolyproline II helixtrans-62.8132.7177.6-21.134000111.1Y96 H98 N116Y96-P100 HydrophobicContact CD2-CB 4.37Å; Y96-P100 HydrophobicContact CD2-CG 4.48Å; Y96-P100 HydrophobicContact CE2-CB 4.04Å; Y96-P100 HydrophobicContact CE2-CG 4.12Å; H98-P100 VanDerWaalsContact O-CD 3.31Å; H98-P100 WeakPolarHBondContact O-CD 3.42Å; P100-N116 PolarHBondContact O-ND2 3.12Å
101I95.6Very high94.4Very high8 Ų862.5 Ų62.54%0.04133%0.333CS..PPolyproline II helixtrans-84.2118-180-58.7167.9000108.7V95 Y96 F99 V103 I114 F117 I179V95-I101 WeakPolarHBondContact O-CD1 3.47Å; Y96-I101 HydrophobicContact CD1-CG1 4.5Å; F99-I101 PolarHBondContact O-N 2.64Å; I101-V103 HydrophobicContact CG2-CG2 4.1Å; I101-I114 HydrophobicContact CG2-CG2 3.51Å; I101-F117 HydrophobicContact CD1-CD2 3.73Å; I101-F117 HydrophobicContact CD1-CE2 4.15Å; I101-F117 HydrophobicContact CG1-CD2 4.08Å; I101-I179 HydrophobicContact CG2-CD1 4.35Å
102N94.2Very high94.4Very high90 Ų9060.1 Ų60.148%0.48132%0.323SS..EExtended strand (participates in β ladder)trans-92.8119.5178.4-71.3-20.2000109.8R115N102-R115 HydrophobicContact CB-CB 4.09Å; N102-R115 PolarHBondContact N-O 3.04Å; N102-R115 PolarHBondContact O-N 2.83Å
103V95Very high94.3Very high35 Ų3560.1 Ų60.121%0.21232%0.323CS..EExtended strand (participates in β ladder)trans-112.7119.6-178.9179.10000108.6I101 V112 E113 L144 I179I101-V103 HydrophobicContact CG2-CG2 4.1Å; V103-V112 HydrophobicContact CG1-CG1 3.79Å; V103-E113 WeakPolarHBondContact CA-O 3.36Å; V103-L144 HydrophobicContact CB-CD1 4.44Å; V103-L144 HydrophobicContact CG1-CD1 3.81Å; V103-L144 HydrophobicContact CG1-CD2 3.69Å; V103-L144 HydrophobicContact CG1-CG 3.99Å; V103-L144 HydrophobicContact CG2-CD1 4.03Å; V103-I179 HydrophobicContact CG2-CD1 3.92Å
104V94.1Very high94.4Very high64 Ų6456.9 Ų56.939%0.38831%0.31SS..EExtended strand (participates in β ladder)trans-117.1132177.6-178.40000108.8Q106 E113V104-Q106 HydrophobicContact CG1-CG 4.39Å; V104-E113 HydrophobicContact CB-CB 4.4Å; V104-E113 PolarHBondContact N-O 2.72Å; V104-E113 PolarHBondContact O-N 2.9Å
105I94.8Very high94.4Very high46 Ų4660.8 Ų60.824%0.23632%0.324CS..EExtended strand (participates in β ladder)trans-103.8128.7179.5-53.6-173.3000108.6G109 V112 C134 S135 V136 L144I105-G109 VanDerWaalsContact CG2-CA 3.45Å; I105-V112 HydrophobicContact CG1-CG2 4.36Å; I105-C134 HydrophobicContact CD1-CB 4.44Å; I105-S135 VanDerWaalsContact CD1-CA 3.44Å; I105-V136 HydrophobicContact CD1-CG2 3.55Å; I105-V136 HydrophobicContact CG1-CG2 4.01Å; I105-L144 HydrophobicContact CD1-CD2 4.35Å
106Q93.4Very high94.3Very high76 Ų7660.3 Ų60.336%0.35532%0.319SS..EExtended strand (participates in β ladder)trans-124.2174.8178.9-64.9-176.9300110.5V104 N108 G109 S110 L111 E113V104-Q106 HydrophobicContact CG1-CG 4.39Å; Q106-N108 VanDerWaalsContact C-N 3.29Å; Q106-N108 PolarHBondContact O-N 3.3Å; Q106-G109 PolarHBondContact O-N 3.24Å; Q106-G109 VanDerWaalsContact O-N 3.13Å; Q106-S110 PolarHBondContact O-N 2.86Å; Q106-L111 HydrophobicContact CB-CB 4.36Å; Q106-L111 HydrophobicContact CB-CD2 4.24Å; Q106-L111 PolarHBondContact N-O 3.15Å; Q106-L111 PolarHBondContact O-N 3.48Å; Q106-E113 PolarHBondContact NE2-OE1 2.95Å; Q106-E113 PolarHBondContact NE2-OE2 3.06Å
107E92Very high94.4Very high94 Ų9457 Ų5744%0.43931%0.306SS..G310 helixtrans51.246.4177.7-58.9-174.616300112.5G109 S110 L111 R127E107-G109 PolarHBondContact O-N 3.12Å; E107-G109 VanDerWaalsContact O-N 3.15Å; E107-S110 WeakPolarHBondContact O-CB 3.44Å; E107-S110 PolarHBondContact O-N 3.42Å; E107-S110 PolarHBondContact O-OG 2.84Å; E107-L111 HydrophobicContact CB-CB 4.3Å; E107-L111 HydrophobicContact CG-CB 4.2Å; E107-R127 VanDerWaalsContact CD-NH2 3.29Å; E107-R127 IonicContact OE1-NH2 2.93Å; E107-R127 PolarHBondContact OE1-NH2 3.23Å; E107-R127 IonicContact OE2-CZ 3.52Å; E107-R127 IonicContact OE2-NE 3.36Å; E107-R127 PolarHBondContact OE2-NE 3.38Å; E107-R127 IonicContact OE2-NH2 2.82Å; E107-R127 PolarHBondContact OE2-NH2 3.4Å
108N89.9Confident94.4Very high169 Ų16954.1 Ų54.190%0.90428%0.278SS*.G310 helixtrans51.636.4-179.6-61.9-14.5000114.3Q106Q106-N108 VanDerWaalsContact C-N 3.29Å; Q106-N108 PolarHBondContact O-N 3.3Å
109G91.2Very high94.4Very high4 Ų448.6 Ų48.64%0.04126%0.261CS..G310 helixtrans102.3-4.1179.700000115.1I105 Q106 E107 C134I105-G109 VanDerWaalsContact CG2-CA 3.45Å; Q106-G109 PolarHBondContact O-N 3.24Å; Q106-G109 VanDerWaalsContact O-N 3.13Å; E107-G109 PolarHBondContact O-N 3.12Å; E107-G109 VanDerWaalsContact O-N 3.15Å; G109-C134 VanDerWaalsContact CA-O 3.29Å; G109-C134 WeakPolarHBondContact CA-O 3.47Å; G109-C134 WeakPolarHBondContact O-CB 3.49Å; G109-C134 PolarHBondContact O-N 2.65Å
110S94.7Very high94.3Very high50 Ų5047.8 Ų47.835%0.3526%0.259SS..THydrogen-bonded Turntrans-87.6-22.3-174.8-52.10000113.8Q106 E107 R127 M128Q106-S110 PolarHBondContact O-N 2.86Å; E107-S110 WeakPolarHBondContact O-CB 3.44Å; E107-S110 PolarHBondContact O-N 3.42Å; E107-S110 PolarHBondContact O-OG 2.84Å; S110-R127 CarbonylContact O-C 3.53Å; S110-R127 WeakPolarHBondContact O-CA 3.4Å; S110-M128 PolarHBondContact O-N 3.49Å
111L96Very high94.3Very high21 Ų2155.1 Ų55.111%0.1128%0.284CS..EExtended strand (participates in β ladder)trans-126.5125.9-179-170.2149.5000110.1Q106 E107 E113Q106-L111 HydrophobicContact CB-CB 4.36Å; Q106-L111 HydrophobicContact CB-CD2 4.24Å; Q106-L111 PolarHBondContact N-O 3.15Å; Q106-L111 PolarHBondContact O-N 3.48Å; E107-L111 HydrophobicContact CB-CB 4.3Å; E107-L111 HydrophobicContact CG-CB 4.2Å; L111-E113 HydrophobicContact CD2-CG 3.5Å
112V96.3Very high94.3Very high0 Ų062.6 Ų62.60%031%0.313CS..EExtended strand (participates in β ladder)trans-109.6121.7175.9174.20000109.2V103 I105 I114 R125 V126 M128 C134 L144V103-V112 HydrophobicContact CG1-CG1 3.79Å; I105-V112 HydrophobicContact CG1-CG2 4.36Å; V112-I114 HydrophobicContact CG1-CG1 3.95Å; V112-R125 WeakPolarHBondContact O-CA 3.34Å; V112-V126 PolarHBondContact N-O 3.03Å; V112-V126 PolarHBondContact O-N 3.25Å; V112-M128 HydrophobicContact CB-CE 3.67Å; V112-M128 HydrophobicContact CG2-CE 3.24Å; V112-C134 HydrophobicContact CG2-CB 3.93Å; V112-L144 HydrophobicContact CG1-CD2 4.46Å; V112-L144 HydrophobicContact CG2-CD2 4.49Å
113E96.4Very high94.4Very high0 Ų060.9 Ų60.90%030%0.303CS..EExtended strand (participates in β ladder)trans-99.2122.7170.8-57.2-161.3138.900109.8V103 V104 Q106 L111 R115 I123 R124 R125V103-E113 WeakPolarHBondContact CA-O 3.36Å; V104-E113 HydrophobicContact CB-CB 4.4Å; V104-E113 PolarHBondContact N-O 2.72Å; V104-E113 PolarHBondContact O-N 2.9Å; Q106-E113 PolarHBondContact NE2-OE1 2.95Å; Q106-E113 PolarHBondContact NE2-OE2 3.06Å; L111-E113 HydrophobicContact CD2-CG 3.5Å; E113-R115 IonicContact OE2-CZ 3.48Å; E113-R115 IonicContact OE2-NE 3.4Å; E113-R115 PolarHBondContact OE2-NE 2.9Å; E113-R115 IonicContact OE2-NH2 2.71Å; E113-R115 PolarHBondContact OE2-NH2 3.37Å; E113-I123 HydrophobicContact CB-CG2 4.13Å; E113-R124 CarbonylContact C-O 3.45Å; E113-R124 WeakPolarHBondContact CA-O 3.36Å; E113-R125 HydrophobicContact CG-CG 4.2Å; E113-R125 IonicContact OE1-CZ 3.23Å; E113-R125 VanDerWaalsContact OE1-CZ 3.23Å; E113-R125 IonicContact OE1-NE 2.77Å; E113-R125 PolarHBondContact OE1-NE 3.26Å; E113-R125 IonicContact OE1-NH2 2.86Å; E113-R125 PolarHBondContact OE1-NH2 2.9Å
114I96.2Very high94.5Very high0 Ų060.8 Ų60.80%030%0.299CS..EExtended strand (participates in β ladder)trans-110120.4178-49.4166.2000107.4I101 V112 R124 I161 T165 I179I101-I114 HydrophobicContact CG2-CG2 3.51Å; V112-I114 HydrophobicContact CG1-CG1 3.95Å; I114-R124 HydrophobicContact CB-CB 4.22Å; I114-R124 PolarHBondContact N-O 2.86Å; I114-R124 PolarHBondContact O-N 3Å; I114-I161 HydrophobicContact CD1-CG2 3.99Å; I114-T165 HydrophobicContact CD1-CG2 3.57Å; I114-T165 HydrophobicContact CG2-CG2 3.91Å; I114-I179 HydrophobicContact CD1-CD1 4.07Å; I114-I179 HydrophobicContact CG1-CD1 4.37Å; I114-I179 HydrophobicContact CG2-CD1 4.29Å
115R96Very high94.6Very high93 Ų9365.5 Ų65.535%0.35131%0.31SS..EExtended strand (participates in β ladder)trans-121.5154.9-173.8-60.4177.5176.3-120.82.8109.8N102 E113 F117 I123N102-R115 HydrophobicContact CB-CB 4.09Å; N102-R115 PolarHBondContact N-O 3.04Å; N102-R115 PolarHBondContact O-N 2.83Å; E113-R115 IonicContact OE2-CZ 3.48Å; E113-R115 IonicContact OE2-NE 3.4Å; E113-R115 PolarHBondContact OE2-NE 2.9Å; E113-R115 IonicContact OE2-NH2 2.71Å; E113-R115 PolarHBondContact OE2-NH2 3.37Å; R115-F117 PolarHBondContact O-N 2.94Å; R115-F117 VanDerWaalsContact O-N 3.13Å; R115-I123 HydrophobicContact CG-CG1 4.2Å; R115-I123 HydrophobicContact CG-CG2 3.94Å
116N94.9Very high94.6Very high53 Ų5363.9 Ų63.928%0.28330%0.302SS..SBendtrans59.820.2175.9-160.743.9000114.9P100 L118 G119P100-N116 PolarHBondContact O-ND2 3.12Å; N116-L118 PolarHBondContact O-N 3.1Å; N116-G119 PolarHBondContact O-N 2.91Å
117F95.3Very high94.8Very high0 Ų067.7 Ų67.70%031%0.313CS..G310 helixtrans-63.3120.9174.2178.5-107.1000109.3I101 R115 G119 E120 T165 V167 D177I101-F117 HydrophobicContact CD1-CD2 3.73Å; I101-F117 HydrophobicContact CD1-CE2 4.15Å; I101-F117 HydrophobicContact CG1-CD2 4.08Å; R115-F117 PolarHBondContact O-N 2.94Å; R115-F117 VanDerWaalsContact O-N 3.13Å; F117-G119 PolarHBondContact O-N 2.86Å; F117-G119 VanDerWaalsContact O-N 3.11Å; F117-E120 VanDerWaalsContact O-CB 3.29Å; F117-E120 WeakPolarHBondContact O-CB 3.31Å; F117-E120 WeakPolarHBondContact O-CG 3.19Å; F117-E120 PolarHBondContact O-N 2.82Å; F117-T165 HydrophobicContact CD2-CG2 4.24Å; F117-T165 HydrophobicContact CE2-CG2 4.48Å; F117-T165 WeakPolarHBondContact CZ-O 3.22Å; F117-V167 HydrophobicContact CZ-CG2 4Å; F117-D177 HydrophobicContact CE2-CB 3.89Å; F117-D177 HydrophobicContact CZ-CB 4.3Å
118L94.2Very high94.9Very high27 Ų2763.8 Ų63.814%0.14130%0.295CS..G310 helixtrans5820.7-177.3-114.6137.6000114.5N116 E120 V167 K170 D177N116-L118 PolarHBondContact O-N 3.1Å; L118-E120 VanDerWaalsContact C-N 3.28Å; L118-V167 HydrophobicContact CD1-CB 4.18Å; L118-V167 HydrophobicContact CD1-CG1 3.86Å; L118-V167 HydrophobicContact CD1-CG2 3.5Å; L118-K170 HydrophobicContact CD2-CD 4.12Å; L118-D177 HydrophobicContact CD1-CB 4.21Å
119G92.8Very high95.2Very high32 Ų3261.4 Ų61.433%0.3327%0.274SS..G310 helixtrans77.210.2-174.900000114.2N116 F117N116-G119 PolarHBondContact O-N 2.91Å; F117-G119 PolarHBondContact O-N 2.86Å; F117-G119 VanDerWaalsContact O-N 3.11Å
120E93.7Very high95.4Very high80 Ų8066.4 Ų66.437%0.37431%0.305SS..  trans-71.9140.8178.2-65.5178.6-172.100111.9F117 L118 Y122 R124F117-E120 VanDerWaalsContact O-CB 3.29Å; F117-E120 WeakPolarHBondContact O-CB 3.31Å; F117-E120 WeakPolarHBondContact O-CG 3.19Å; F117-E120 PolarHBondContact O-N 2.82Å; L118-E120 VanDerWaalsContact C-N 3.28Å; E120-Y122 VanDerWaalsContact C-N 3.3Å; E120-R124 IonicContact OE1-NH2 3.39Å; E120-R124 PolarHBondContact OE1-NH2 2.88Å; E120-R124 IonicContact OE2-CZ 3.13Å; E120-R124 IonicContact OE2-NH1 2.67Å; E120-R124 PolarHBondContact OE2-NH1 3.12Å; E120-R124 IonicContact OE2-NH2 2.71Å; E120-R124 PolarHBondContact OE2-NH2 3.11Å
121K94.4Very high95.3Very high215 Ų21567.4 Ų67.494%0.93532%0.324SS*.  trans-77.2-15.6171.5-65.7-174.7178.6-179.30113.1I123K121-I123 PolarHBondContact O-N 2.98Å
122Y95.2Very high95.3Very high165 Ų16566.8 Ų66.865%0.64732%0.321SS*.PPolyproline II helixtrans-71.8126.5-179.9-179.8-104.5000111.1E120 R124E120-Y122 VanDerWaalsContact C-N 3.3Å; Y122-R124 HydrophobicContact CD1-CG 3.93Å; Y122-R124 HydrophobicContact CE1-CG 3.88Å
123I96Very high95.3Very high54 Ų5469.1 Ų69.128%0.27734%0.34SS..PPolyproline II helixtrans-89.5119179-54.1170.2000108.3E113 R115 K121 R125E113-I123 HydrophobicContact CB-CG2 4.13Å; R115-I123 HydrophobicContact CG-CG1 4.2Å; R115-I123 HydrophobicContact CG-CG2 3.94Å; K121-I123 PolarHBondContact O-N 2.98Å; I123-R125 HydrophobicContact CG2-CG 4.36Å
124R96.3Very high95.2Very high33 Ų3369.4 Ų69.413%0.12534%0.342CS..EExtended strand (participates in β ladder)trans-87.6121.4174.8-67.2165.6171.173.9-0108.6E113 I114 E120 Y122 A164E113-R124 CarbonylContact C-O 3.45Å; E113-R124 WeakPolarHBondContact CA-O 3.36Å; I114-R124 HydrophobicContact CB-CB 4.22Å; I114-R124 PolarHBondContact N-O 2.86Å; I114-R124 PolarHBondContact O-N 3Å; E120-R124 IonicContact OE1-NH2 3.39Å; E120-R124 PolarHBondContact OE1-NH2 2.88Å; E120-R124 IonicContact OE2-CZ 3.13Å; E120-R124 IonicContact OE2-NH1 2.67Å; E120-R124 PolarHBondContact OE2-NH1 3.12Å; E120-R124 IonicContact OE2-NH2 2.71Å; E120-R124 PolarHBondContact OE2-NH2 3.11Å; Y122-R124 HydrophobicContact CD1-CG 3.93Å; Y122-R124 HydrophobicContact CE1-CG 3.88Å; R124-A164 WeakPolarHBondContact CD-O 3.32Å; R124-A164 PolarHBondContact NE-O 3.24Å
125R96.2Very high95.2Very high164 Ų16471.8 Ų71.862%0.61936%0.359SS*.EExtended strand (participates in β ladder)trans-106.9125175.7-63.9-177164165.3-4.9109.4V112 E113 I123V112-R125 WeakPolarHBondContact O-CA 3.34Å; E113-R125 HydrophobicContact CG-CG 4.2Å; E113-R125 IonicContact OE1-CZ 3.23Å; E113-R125 VanDerWaalsContact OE1-CZ 3.23Å; E113-R125 IonicContact OE1-NE 2.77Å; E113-R125 PolarHBondContact OE1-NE 3.26Å; E113-R125 IonicContact OE1-NH2 2.86Å; E113-R125 PolarHBondContact OE1-NH2 2.9Å; I123-R125 HydrophobicContact CG2-CG 4.36Å
126V96.5Very high95.1Very high11 Ų1171.2 Ų71.27%0.06737%0.366CS..EExtended strand (participates in β ladder)trans-123.2117177.7-176.80000108.3V112 M128 L160 I161 A164V112-V126 PolarHBondContact N-O 3.03Å; V112-V126 PolarHBondContact O-N 3.25Å; V126-M128 HydrophobicContact CG1-CE 4.35Å; V126-L160 HydrophobicContact CG1-CB 3.76Å; V126-I161 HydrophobicContact CB-CG1 4.39Å; V126-I161 HydrophobicContact CG1-CG1 3.99Å; V126-A164 HydrophobicContact CG2-CB 3.63Å
127R96.2Very high94.9Very high156 Ų15669.5 Ų69.559%0.58936%0.358SS*.EExtended strand (participates in β ladder)trans-90.1129.5174.9-175.3172-101.7178.9-4.2109.7E107 S110E107-R127 VanDerWaalsContact CD-NH2 3.29Å; E107-R127 IonicContact OE1-NH2 2.93Å; E107-R127 PolarHBondContact OE1-NH2 3.23Å; E107-R127 IonicContact OE2-CZ 3.52Å; E107-R127 IonicContact OE2-NE 3.36Å; E107-R127 PolarHBondContact OE2-NE 3.38Å; E107-R127 IonicContact OE2-NH2 2.82Å; E107-R127 PolarHBondContact OE2-NH2 3.4Å; S110-R127 CarbonylContact O-C 3.53Å; S110-R127 WeakPolarHBondContact O-CA 3.4Å
128M95.3Very high94.7Very high12 Ų1279.3 Ų79.36%0.05940%0.403CS..PPolyproline II helixtrans-69.6152.3176-58-51145.800110.8S110 V112 V126 V132 C134 L146 I161S110-M128 PolarHBondContact O-N 3.49Å; V112-M128 HydrophobicContact CB-CE 3.67Å; V112-M128 HydrophobicContact CG2-CE 3.24Å; V126-M128 HydrophobicContact CG1-CE 4.35Å; M128-V132 HydrophobicContact CB-CB 4.37Å; M128-C134 HydrophobicContact CE-CB 4.33Å; M128-C134 HydrophobicContact CG-CB 4.3Å; M128-L146 HydrophobicContact SD-CD2 3.82Å; M128-I161 HydrophobicContact CE-CD1 3.5Å; M128-I161 HydrophobicContact CE-CG1 3.81Å; M128-I161 HydrophobicContact SD-CD1 4.26Å
129R95.8Very high94.5Very high120 Ų12082.5 Ų82.545%0.45343%0.434SS..PPolyproline II helixtrans-69.4153.6171.6-64.6-63.1-176.5172.5-1.6110.3G131 V132 L153 S157R129-G131 PolarHBondContact O-N 3.3Å; R129-V132 PolarHBondContact O-N 3.47Å; R129-L153 HydrophobicContact CB-CB 4.16Å; R129-L153 HydrophobicContact CB-CD2 4.07Å; R129-L153 HydrophobicContact CG-CD2 4.46Å; R129-S157 PolarHBondContact N-OG 3.35Å; R129-S157 VanDerWaalsContact N-OG 3.1Å
130P94.5Very high94.4Very high108 Ų10885.8 Ų85.870%0.70144%0.441SS*.THydrogen-bonded Turntrans-55.2136.5-178.4-25.234.3000112.3V132 L153P130-V132 VanDerWaalsContact C-N 3.31Å; P130-L153 WeakPolarHBondContact O-CD1 3.4Å
131G93.4Very high94.2Very high72 Ų7289.2 Ų89.274%0.74245%0.454SS*.THydrogen-bonded Turntrans81.25-179.900000115.2R129R129-G131 PolarHBondContact O-N 3.3Å
132V96.3Very high94.2Very high7 Ų781.1 Ų81.14%0.04242%0.421CS..EExtended strand (participates in β ladder)trans-108124.8170.8-176.90000108.9M128 R129 P130 L146 E147 L153 V154M128-V132 HydrophobicContact CB-CB 4.37Å; R129-V132 PolarHBondContact O-N 3.47Å; P130-V132 VanDerWaalsContact C-N 3.31Å; V132-L146 HydrophobicContact CG1-CB 4.34Å; V132-L146 HydrophobicContact CG1-CD2 4.17Å; V132-E147 CarbonylContact C-O 3.6Å; V132-E147 WeakPolarHBondContact CA-O 3.22Å; V132-L153 HydrophobicContact CG2-CB 3.71Å; V132-V154 HydrophobicContact CG1-CG2 4.23Å; V132-V154 HydrophobicContact CG2-CG2 3.86Å
133A95.2Very high94.2Very high50 Ų5074.3 Ų74.341%0.41340%0.395SS..EExtended strand (participates in β ladder)trans-107.7136.8174.500000109.7E147A133-E147 PolarHBondContact N-O 3.35Å; A133-E147 PolarHBondContact O-N 3Å
134C95.6Very high94.1Very high6 Ų672 Ų724%0.04138%0.383CS..EExtended strand (participates in β ladder)trans-106.7137.5174-1650000110.4I105 G109 V112 M128 L144 I145I105-C134 HydrophobicContact CD1-CB 4.44Å; G109-C134 VanDerWaalsContact CA-O 3.29Å; G109-C134 WeakPolarHBondContact CA-O 3.47Å; G109-C134 WeakPolarHBondContact O-CB 3.49Å; G109-C134 PolarHBondContact O-N 2.65Å; V112-C134 HydrophobicContact CG2-CB 3.93Å; M128-C134 HydrophobicContact CE-CB 4.33Å; M128-C134 HydrophobicContact CG-CB 4.3Å; C134-L144 WeakPolarHBondContact SG-CD2 3.35Å; C134-I145 CarbonylContact C-O 3.57Å; C134-I145 WeakPolarHBondContact CA-O 3.49Å
135S94.6Very high94.2Very high50 Ų5071.4 Ų71.435%0.3538%0.383SS..EExtended strand (participates in β ladder)trans-136.4154.5176.158.90000111I105 I145I105-S135 VanDerWaalsContact CD1-CA 3.44Å; S135-I145 PolarHBondContact N-O 2.92Å; S135-I145 PolarHBondContact O-N 3.23Å
136V93.8Very high94.2Very high81 Ų8163.6 Ų63.649%0.49135%0.353SS..EExtended strand (participates in β ladder)trans-87.3132170.7-175.40000107.9I105 Q138I105-V136 HydrophobicContact CD1-CG2 3.55Å; I105-V136 HydrophobicContact CG1-CG2 4.01Å; V136-Q138 PolarHBondContact O-N 3.1Å
137S91.9Very high94.2Very high17 Ų1765.6 Ų65.612%0.11936%0.362CS..  trans-65.8131.5176.7-169.10000110.4E143S137-E143 WeakPolarHBondContact CB-OE2 3.33Å; S137-E143 PolarHBondContact N-O 2.92Å; S137-E143 PolarHBondContact OG-OE2 3.2Å
138Q90.2Very high94.2Very high205 Ų20558.4 Ų58.496%0.95834%0.336SS*.SBendtrans-83.3-27.5173-66.2-179.2-10.300112.1V136V136-Q138 PolarHBondContact O-N 3.1Å
139A90Very high94.2Very high94 Ų9459.6 Ų59.678%0.77734%0.343SS*.SBendtrans-76.6-32-175.700000112.3
140Q91.1Very high94.3Very high102 Ų10255.6 Ų55.648%0.47733%0.33SS..SBendtrans-134.2126.2-172.9-169.272.7-100111E143Q140-E143 HydrophobicContact CB-CB 4.37Å
141K90.4Very high94.4Very high151 Ų15152.1 Ų52.166%0.65731%0.305SS*.THydrogen-bonded Turntrans-60.8142.5174.8-171.6-171.6172.4-172.10111R93 E143R93-K141 VanDerWaalsContact CZ-O 3.3Å; R93-K141 PolarHBondContact NH1-O 3.37Å; R93-K141 PolarHBondContact NH2-O 3.28Å; R93-K141 VanDerWaalsContact NH2-O 3.12Å; K141-E143 VanDerWaalsContact C-N 3.32Å; K141-E143 PolarHBondContact O-N 3.18Å
142D93.1Very high94.6Very high46 Ų4652.2 Ų52.225%0.24629%0.286CS..THydrogen-bonded Turntrans64.931.9174.5-58.7-34.7000113.5S94 Y96S94-D142 PolarHBondContact N-O 3.25Å; Y96-D142 WeakPolarHBondContact CE1-OD2 3.38Å; Y96-D142 PolarHBondContact OH-OD2 2.88Å
143E95.4Very high94.6Very high22 Ų2254.7 Ų54.710%0.10330%0.299CS..EExtended strand (participates in β ladder)trans-118.4131.5175-178.2173.2-106.100112.4K91 M92 S137 Q140 K141 I145K91-E143 HydrophobicContact CB-CG 4.35Å; K91-E143 WeakPolarHBondContact CD-OE1 3.48Å; M92-E143 CarbonylContact O-C 3.58Å; M92-E143 VanDerWaalsContact O-CA 3.32Å; M92-E143 WeakPolarHBondContact O-CA 3.4Å; S137-E143 WeakPolarHBondContact CB-OE2 3.33Å; S137-E143 PolarHBondContact N-O 2.92Å; S137-E143 PolarHBondContact OG-OE2 3.2Å; Q140-E143 HydrophobicContact CB-CB 4.37Å; K141-E143 VanDerWaalsContact C-N 3.32Å; K141-E143 PolarHBondContact O-N 3.18Å; E143-I145 HydrophobicContact CG-CG1 4.37Å
144L95.1Very high94.7Very high4 Ų452.3 Ų52.32%0.02128%0.28CS..EExtended strand (participates in β ladder)trans-104.1136170-85.6133.6000109K91 M92 V103 I105 V112 C134 I179K91-L144 CarbonylContact C-O 3.57Å; K91-L144 WeakPolarHBondContact CA-O 3.29Å; M92-L144 HydrophobicContact CB-CB 4.14Å; M92-L144 PolarHBondContact N-O 2.94Å; M92-L144 PolarHBondContact O-N 3.43Å; V103-L144 HydrophobicContact CB-CD1 4.44Å; V103-L144 HydrophobicContact CG1-CD1 3.81Å; V103-L144 HydrophobicContact CG1-CD2 3.69Å; V103-L144 HydrophobicContact CG1-CG 3.99Å; V103-L144 HydrophobicContact CG2-CD1 4.03Å; I105-L144 HydrophobicContact CD1-CD2 4.35Å; V112-L144 HydrophobicContact CG1-CD2 4.46Å; V112-L144 HydrophobicContact CG2-CD2 4.49Å; C134-L144 WeakPolarHBondContact SG-CD2 3.35Å; L144-I179 HydrophobicContact CD1-CD1 3.89Å; L144-I179 HydrophobicContact CD1-CG2 3.94Å
145I96.5Very high94.8Very high22 Ų2254 Ų5411%0.11329%0.292CS..EExtended strand (participates in β ladder)trans-113.6126.2175.1-54.8178.4000107.4R89 Y90 C134 S135 E143 E147R89-I145 HydrophobicContact CG-CG2 3.53Å; Y90-I145 WeakPolarHBondContact O-CA 3.19Å; C134-I145 CarbonylContact C-O 3.57Å; C134-I145 WeakPolarHBondContact CA-O 3.49Å; S135-I145 PolarHBondContact N-O 2.92Å; S135-I145 PolarHBondContact O-N 3.23Å; E143-I145 HydrophobicContact CG-CG1 4.37Å; I145-E147 HydrophobicContact CG2-CG 3.88Å
146L96.6Very high94.9Very high0 Ų054.9 Ų54.90%029%0.292CS..EExtended strand (participates in β ladder)trans-107.6124.7169.6-66.198.4000109R89 Y90 M92 M128 V132 V154 A158 I161R89-L146 CarbonylContact C-O 3.41Å; R89-L146 WeakPolarHBondContact CA-O 3.48Å; Y90-L146 PolarHBondContact N-O 2.9Å; Y90-L146 PolarHBondContact O-N 3.38Å; M92-L146 HydrophobicContact CG-CD1 3.71Å; M92-L146 HydrophobicContact SD-CD1 3.45Å; M92-L146 WeakPolarHBondContact SD-CD1 3.38Å; M128-L146 HydrophobicContact SD-CD2 3.82Å; V132-L146 HydrophobicContact CG1-CB 4.34Å; V132-L146 HydrophobicContact CG1-CD2 4.17Å; L146-V154 HydrophobicContact CB-CG1 4.21Å; L146-A158 HydrophobicContact CD1-CB 4.23Å; L146-A158 HydrophobicContact CD2-CB 4.37Å; L146-I161 HydrophobicContact CD1-CD1 4.17Å; L146-I161 HydrophobicContact CD2-CD1 4.01Å
147E96.5Very high95.1Very high52 Ų5251 Ų5124%0.24327%0.269CS..EExtended strand (participates in β ladder)trans-120.2141.7178.5-60-166162.100110.8F88 R89 V132 A133 I145 V187F88-E147 WeakPolarHBondContact O-CA 3.24Å; R89-E147 HydrophobicContact CG-CG 4.27Å; R89-E147 IonicContact CZ-OE1 3.55Å; R89-E147 IonicContact NE-OE1 2.74Å; R89-E147 PolarHBondContact NE-OE1 2.95Å; R89-E147 IonicContact NH2-OE1 3.52Å; R89-E147 PolarHBondContact NH2-OE1 3.42Å; V132-E147 CarbonylContact C-O 3.6Å; V132-E147 WeakPolarHBondContact CA-O 3.22Å; A133-E147 PolarHBondContact N-O 3.35Å; A133-E147 PolarHBondContact O-N 3Å; I145-E147 HydrophobicContact CG2-CG 3.88Å; E147-V187 HydrophobicContact CB-CG2 4.35Å; E147-V187 HydrophobicContact CG-CG2 4.19Å
148G96.3Very high95.4Very high5 Ų550.3 Ų50.35%0.05226%0.264CS..EExtended strand (participates in β ladder)trans-176.5168.7175.100000111.9F88F88-G148 PolarHBondContact N-O 2.74Å; F88-G148 PolarHBondContact O-N 2.94Å; F88-G148 VanDerWaalsContact O-N 3.12Å
149N96.7Very high95.7Very high38 Ų3842.2 Ų42.220%0.20323%0.232CC..SBendtrans-86.9-32.1-178.5-67-15.3000112.2R31 L34 G83 F88R31-N149 PolarHBondContact NE-OD1 3.21Å; R31-N149 PolarHBondContact O-ND2 2.74Å; R31-N149 VanDerWaalsContact O-ND2 3.15Å; L34-N149 HydrophobicContact CD1-CB 4.37Å; L34-N149 HydrophobicContact CD2-CB 4.17Å; L34-N149 HydrophobicContact CG-CB 4.46Å; G83-N149 CarbonylContact C-O 3.57Å; G83-N149 WeakPolarHBondContact CA-O 3.16Å; F88-N149 WeakPolarHBondContact CD2-O 3.46Å
150D96.8Very high96.1Very high35 Ų3540.2 Ų40.219%0.18721%0.208CC..  trans-98.5120.8179.7-170.1-14.7000111.5L34 E152 L153 V154L34-D150 HydrophobicContact CD1-CB 4.37Å; L34-D150 HydrophobicContact CD2-CB 4.1Å; D150-E152 PolarHBondContact O-N 2.86Å; D150-E152 PolarHBondContact OD1-N 2.74Å; D150-L153 HydrophobicContact CB-CB 4.22Å; D150-L153 HydrophobicContact CB-CD1 3.96Å; D150-L153 HydrophobicContact CB-CG 3.93Å; D150-L153 PolarHBondContact O-N 2.87Å; D150-V154 WeakPolarHBondContact O-CG2 3.2Å; D150-V154 PolarHBondContact O-N 2.99Å
151I96.8Very high96.4Very high35 Ų3535.4 Ų35.418%0.17919%0.186CC..Hα-helixtrans-59.6-34.2178.4-164.4170.8000112.5N79 F88 S155N79-I151 HydrophobicContact CB-CG2 4.1Å; F88-I151 HydrophobicContact CD1-CB 4.35Å; F88-I151 HydrophobicContact CD1-CD1 4.18Å; F88-I151 HydrophobicContact CD1-CG1 4.22Å; F88-I151 HydrophobicContact CD2-CB 3.84Å; F88-I151 HydrophobicContact CE1-CB 4.23Å; F88-I151 HydrophobicContact CE1-CD1 3.82Å; F88-I151 HydrophobicContact CE1-CG1 4.23Å; F88-I151 HydrophobicContact CE2-CB 3.7Å; F88-I151 HydrophobicContact CE2-CG2 4.5Å; F88-I151 HydrophobicContact CG-CB 4.16Å; F88-I151 HydrophobicContact CG-CG1 4.37Å; F88-I151 HydrophobicContact CZ-CB 3.91Å; F88-I151 HydrophobicContact CZ-CD1 4.15Å; F88-I151 HydrophobicContact CZ-CG1 4.4Å; I151-S155 WeakPolarHBondContact O-CB 3.5Å; I151-S155 PolarHBondContact O-N 2.87Å; I151-S155 PolarHBondContact O-OG 2.94Å
152E97.2Very high96.7Very high74 Ų7431.9 Ų31.935%0.34617%0.171SC..Hα-helixtrans-70.3-39-178.3-69.1-174.7175.400110.9R36 H76 D150 S155 N156R36-E152 IonicContact CZ-OE1 2.86Å; R36-E152 IonicContact CZ-OE2 2.69Å; R36-E152 IonicContact NH1-OE1 3.18Å; R36-E152 PolarHBondContact NH1-OE1 3.09Å; R36-E152 IonicContact NH1-OE2 3.42Å; R36-E152 PolarHBondContact NH1-OE2 2.85Å; R36-E152 IonicContact NH2-OE1 3.17Å; R36-E152 PolarHBondContact NH2-OE1 2.87Å; R36-E152 IonicContact NH2-OE2 3.13Å; R36-E152 PolarHBondContact NH2-OE2 2.91Å; H76-E152 IonicContact CE1-OE1 2.74Å; H76-E152 PolarHBondContact CE1-OE1 2.92Å; H76-E152 IonicContact ND1-OE1 2.74Å; H76-E152 PolarHBondContact ND1-OE1 2.95Å; D150-E152 PolarHBondContact O-N 2.86Å; D150-E152 PolarHBondContact OD1-N 2.74Å; E152-S155 PolarHBondContact O-OG 3.33Å; E152-N156 WeakPolarHBondContact O-CB 3.39Å; E152-N156 PolarHBondContact O-N 3.01Å
153L97.1Very high96.8Very high59 Ų5936.2 Ų36.231%0.30919%0.19SC..Hα-helixtrans-71-43.6177.2-57.8-178.3000111.2R129 P130 V132 D150 S157R129-L153 HydrophobicContact CB-CB 4.16Å; R129-L153 HydrophobicContact CB-CD2 4.07Å; R129-L153 HydrophobicContact CG-CD2 4.46Å; P130-L153 WeakPolarHBondContact O-CD1 3.4Å; V132-L153 HydrophobicContact CG2-CB 3.71Å; D150-L153 HydrophobicContact CB-CB 4.22Å; D150-L153 HydrophobicContact CB-CD1 3.96Å; D150-L153 HydrophobicContact CB-CG 3.93Å; D150-L153 PolarHBondContact O-N 2.87Å; L153-S157 VanDerWaalsContact O-CB 3.29Å; L153-S157 WeakPolarHBondContact O-CB 3.33Å; L153-S157 PolarHBondContact O-N 3.18Å; L153-S157 PolarHBondContact O-OG 3.09Å
154V97.4Very high96.9Very high0 Ų036.5 Ų36.50%020%0.197CC..Hα-helixtrans-63.7-50.7178.3173.80000110.7F88 Y90 V132 L146 D150 N156 S157 A158F88-V154 HydrophobicContact CB-CG2 4.48Å; Y90-V154 HydrophobicContact CD1-CG1 3.93Å; Y90-V154 HydrophobicContact CD2-CG1 4.25Å; Y90-V154 HydrophobicContact CE1-CG1 4.45Å; Y90-V154 HydrophobicContact CG-CG1 3.83Å; V132-V154 HydrophobicContact CG1-CG2 4.23Å; V132-V154 HydrophobicContact CG2-CG2 3.86Å; L146-V154 HydrophobicContact CB-CG1 4.21Å; D150-V154 WeakPolarHBondContact O-CG2 3.2Å; D150-V154 PolarHBondContact O-N 2.99Å; V154-N156 PolarHBondContact O-N 3.22Å; V154-S157 PolarHBondContact O-N 3.15Å; V154-A158 PolarHBondContact O-N 2.9Å
155S97.5Very high96.9Very high42 Ų4236.4 Ų36.429%0.29420%0.196SC..Hα-helixtrans-66.7-38.4-17861.40000112.8I151 E152 A158 A159I151-S155 WeakPolarHBondContact O-CB 3.5Å; I151-S155 PolarHBondContact O-N 2.87Å; I151-S155 PolarHBondContact O-OG 2.94Å; E152-S155 PolarHBondContact O-OG 3.33Å; S155-A158 PolarHBondContact O-N 3.14Å; S155-A159 WeakPolarHBondContact O-CB 3.4Å; S155-A159 PolarHBondContact O-N 2.87Å
156N97.5Very high96.8Very high69 Ų6938.5 Ų38.537%0.36921%0.21SC..Hα-helixtrans-65.2-43.9175.1-170.8-20.8000110.9E152 V154 A158 A159 L160E152-N156 WeakPolarHBondContact O-CB 3.39Å; E152-N156 PolarHBondContact O-N 3.01Å; V154-N156 PolarHBondContact O-N 3.22Å; N156-A158 VanDerWaalsContact C-N 3.33Å; N156-A158 PolarHBondContact O-N 2.92Å; N156-A159 PolarHBondContact O-N 3.35Å; N156-A159 VanDerWaalsContact O-N 3.15Å; N156-L160 WeakPolarHBondContact O-CG 3.41Å; N156-L160 PolarHBondContact O-N 3.37Å
157S97.4Very high96.8Very high0 Ų039.2 Ų39.20%021%0.214CC..Hα-helixtrans-59.8-43.3176-58.90000111.8R129 L153 V154 L160 I161R129-S157 PolarHBondContact N-OG 3.35Å; R129-S157 VanDerWaalsContact N-OG 3.1Å; L153-S157 VanDerWaalsContact O-CB 3.29Å; L153-S157 WeakPolarHBondContact O-CB 3.33Å; L153-S157 PolarHBondContact O-N 3.18Å; L153-S157 PolarHBondContact O-OG 3.09Å; V154-S157 PolarHBondContact O-N 3.15Å; S157-L160 PolarHBondContact O-N 2.87Å; S157-I161 WeakPolarHBondContact O-CG1 3.37Å; S157-I161 PolarHBondContact O-N 2.84Å
158A97.4Very high96.7Very high1 Ų144.2 Ų44.21%0.00824%0.235CC..Hα-helixtrans-62.7-42.1173.900000112.5Y90 M92 L146 V154 S155 N156 L160 I161 Q162 V181Y90-A158 HydrophobicContact CD2-CB 4.16Å; M92-A158 HydrophobicContact CE-CB 4.29Å; M92-A158 VanDerWaalsContact CE-O 3.27Å; M92-A158 WeakPolarHBondContact CE-O 3.16Å; M92-A158 HydrophobicContact SD-CB 3.71Å; L146-A158 HydrophobicContact CD1-CB 4.23Å; L146-A158 HydrophobicContact CD2-CB 4.37Å; V154-A158 PolarHBondContact O-N 2.9Å; S155-A158 PolarHBondContact O-N 3.14Å; N156-A158 VanDerWaalsContact C-N 3.33Å; N156-A158 PolarHBondContact O-N 2.92Å; A158-L160 VanDerWaalsContact C-N 3.33Å; A158-L160 PolarHBondContact O-N 3.32Å; A158-I161 PolarHBondContact O-N 3.45Å; A158-Q162 PolarHBondContact O-N 2.99Å; A158-Q162 VanDerWaalsContact O-N 3.09Å; A158-V181 HydrophobicContact CB-CG2 4Å
159A97.6Very high96.7Very high35 Ų3552.4 Ų52.429%0.28928%0.278SS..Hα-helixtrans-63.7-37.2177.300000112.3S155 N156 I161 Q162 Q163S155-A159 WeakPolarHBondContact O-CB 3.4Å; S155-A159 PolarHBondContact O-N 2.87Å; N156-A159 PolarHBondContact O-N 3.35Å; N156-A159 VanDerWaalsContact O-N 3.15Å; A159-I161 PolarHBondContact O-N 3.28Å; A159-Q162 PolarHBondContact O-N 3.14Å; A159-Q163 WeakPolarHBondContact O-CB 3.23Å; A159-Q163 WeakPolarHBondContact O-CG 3.46Å; A159-Q163 PolarHBondContact O-N 2.99Å
160L97.5Very high96.5Very high53 Ų5355.6 Ų55.628%0.27729%0.29SS..Hα-helixtrans-63.1-40.4175.8-71.1172.4000112V126 N156 S157 A158 A164V126-L160 HydrophobicContact CG1-CB 3.76Å; N156-L160 WeakPolarHBondContact O-CG 3.41Å; N156-L160 PolarHBondContact O-N 3.37Å; S157-L160 PolarHBondContact O-N 2.87Å; A158-L160 VanDerWaalsContact C-N 3.33Å; A158-L160 PolarHBondContact O-N 3.32Å; L160-A164 VanDerWaalsContact O-CB 3.26Å; L160-A164 WeakPolarHBondContact O-CB 3.1Å; L160-A164 PolarHBondContact O-N 3.17Å
161I96.7Very high96.5Very high0 Ų057.3 Ų57.30%030%0.299CS..Hα-helixtrans-62-48174.5-63.3170.8000110.4M92 I114 V126 M128 L146 S157 A158 A159 A164 T165 I179M92-I161 HydrophobicContact CE-CB 4.29Å; M92-I161 HydrophobicContact CE-CG2 4.27Å; M92-I161 HydrophobicContact SD-CB 4.3Å; M92-I161 HydrophobicContact SD-CD1 4.04Å; M92-I161 HydrophobicContact SD-CG2 4.35Å; I114-I161 HydrophobicContact CD1-CG2 3.99Å; V126-I161 HydrophobicContact CB-CG1 4.39Å; V126-I161 HydrophobicContact CG1-CG1 3.99Å; M128-I161 HydrophobicContact CE-CD1 3.5Å; M128-I161 HydrophobicContact CE-CG1 3.81Å; M128-I161 HydrophobicContact SD-CD1 4.26Å; L146-I161 HydrophobicContact CD1-CD1 4.17Å; L146-I161 HydrophobicContact CD2-CD1 4.01Å; S157-I161 WeakPolarHBondContact O-CG1 3.37Å; S157-I161 PolarHBondContact O-N 2.84Å; A158-I161 PolarHBondContact O-N 3.45Å; A159-I161 PolarHBondContact O-N 3.28Å; I161-A164 PolarHBondContact O-N 3.28Å; I161-T165 PolarHBondContact O-N 3.25Å; I161-T165 VanDerWaalsContact O-N 3.15Å; I161-T165 PolarHBondContact O-OG1 2.91Å; I161-I179 HydrophobicContact CG2-CB 4.04Å; I161-I179 HydrophobicContact CG2-CD1 4.12Å; I161-I179 HydrophobicContact CG2-CG2 3.79Å
162Q96.9Very high96.4Very high77 Ų7761.1 Ų61.136%0.3632%0.318SS..Hα-helixtrans-62.8-46-179.7-177.6-179.6-7.200111.6M92 A158 A159 A164 T165 I179 Y180M92-Q162 HydrophobicContact CE-CB 4.14Å; A158-Q162 PolarHBondContact O-N 2.99Å; A158-Q162 VanDerWaalsContact O-N 3.09Å; A159-Q162 PolarHBondContact O-N 3.14Å; Q162-A164 VanDerWaalsContact C-N 3.32Å; Q162-A164 PolarHBondContact O-N 2.84Å; Q162-T165 CarbonylContact O-C 3.59Å; Q162-T165 PolarHBondContact O-N 3.31Å; Q162-T165 VanDerWaalsContact O-N 3.16Å; Q162-T165 PolarHBondContact O-OG1 3.37Å; Q162-I179 WeakPolarHBondContact CA-O 3.3Å; Q162-I179 WeakPolarHBondContact CB-O 3.37Å; Q162-I179 WeakPolarHBondContact CG-O 3.43Å; Q162-Y180 HydrophobicContact CG-CD1 4.12Å; Q162-Y180 HydrophobicContact CG-CE1 4.38Å
163Q96.8Very high96.3Very high137 Ų13766.8 Ų66.864%0.6434%0.337SS*.Hα-helixtrans-66.6-33.4178-73.1179.9-4.900112.5A159 T165 T166A159-Q163 WeakPolarHBondContact O-CB 3.23Å; A159-Q163 WeakPolarHBondContact O-CG 3.46Å; A159-Q163 PolarHBondContact O-N 2.99Å; Q163-T165 VanDerWaalsContact C-N 3.26Å; Q163-T165 PolarHBondContact O-N 2.71Å; Q163-T166 VanDerWaalsContact O-CG2 3.24Å; Q163-T166 WeakPolarHBondContact O-CG2 3.31Å; Q163-T166 PolarHBondContact O-N 3.4Å
164A95.7Very high96.1Very high29 Ų2972.1 Ų72.124%0.2436%0.357CS..Hα-helixtrans-63.3-35.3173.800000111.6R124 V126 L160 I161 Q162 T166R124-A164 WeakPolarHBondContact CD-O 3.32Å; R124-A164 PolarHBondContact NE-O 3.24Å; V126-A164 HydrophobicContact CG2-CB 3.63Å; L160-A164 VanDerWaalsContact O-CB 3.26Å; L160-A164 WeakPolarHBondContact O-CB 3.1Å; L160-A164 PolarHBondContact O-N 3.17Å; I161-A164 PolarHBondContact O-N 3.28Å; Q162-A164 VanDerWaalsContact C-N 3.32Å; Q162-A164 PolarHBondContact O-N 2.84Å; A164-T166 VanDerWaalsContact C-N 3.31Å; A164-T166 PolarHBondContact O-N 3.06Å
165T95.6Very high96Very high2 Ų275.6 Ų75.61%0.01237%0.373CS..THydrogen-bonded Turntrans-93.732.3179.753.50000113.5I114 F117 I161 Q162 Q163 I179I114-T165 HydrophobicContact CD1-CG2 3.57Å; I114-T165 HydrophobicContact CG2-CG2 3.91Å; F117-T165 HydrophobicContact CD2-CG2 4.24Å; F117-T165 HydrophobicContact CE2-CG2 4.48Å; F117-T165 WeakPolarHBondContact CZ-O 3.22Å; I161-T165 PolarHBondContact O-N 3.25Å; I161-T165 VanDerWaalsContact O-N 3.15Å; I161-T165 PolarHBondContact O-OG1 2.91Å; Q162-T165 CarbonylContact O-C 3.59Å; Q162-T165 PolarHBondContact O-N 3.31Å; Q162-T165 VanDerWaalsContact O-N 3.16Å; Q162-T165 PolarHBondContact O-OG1 3.37Å; Q163-T165 VanDerWaalsContact C-N 3.26Å; Q163-T165 PolarHBondContact O-N 2.71Å; T165-I179 HydrophobicContact CG2-CD1 4.15Å; T165-I179 HydrophobicContact CG2-CG1 4.36Å; T165-I179 PolarHBondContact OG1-N 2.87Å; T165-I179 VanDerWaalsContact OG1-N 3.15Å
166T95.5Very high95.9Very high65 Ų6578.7 Ų78.740%0.39939%0.385SS..  trans-82.4136.8174.4-166.30000112Q163 A164 K168Q163-T166 VanDerWaalsContact O-CG2 3.24Å; Q163-T166 WeakPolarHBondContact O-CG2 3.31Å; Q163-T166 PolarHBondContact O-N 3.4Å; A164-T166 VanDerWaalsContact C-N 3.31Å; A164-T166 PolarHBondContact O-N 3.06Å; T166-K168 HydrophobicContact CG2-CG 4.2Å
167V95.8Very high95.8Very high15 Ų1575.9 Ų75.99%0.09137%0.371CS..  trans-76.9129173.4-174.20000109.6F117 L118 K170 F175F117-V167 HydrophobicContact CZ-CG2 4Å; L118-V167 HydrophobicContact CD1-CB 4.18Å; L118-V167 HydrophobicContact CD1-CG1 3.86Å; L118-V167 HydrophobicContact CD1-CG2 3.5Å; V167-K170 HydrophobicContact CG1-CB 3.89Å; V167-K170 HydrophobicContact CG1-CD 4.28Å; V167-K170 HydrophobicContact CG1-CG 4.38Å; V167-F175 HydrophobicContact CG1-CB 4.05Å; V167-F175 HydrophobicContact CG2-CB 4.31Å
168K94.8Very high95.8Very high157 Ų15776 Ų7668%0.68337%0.371SS*.  trans-116.3150.9178.2-61.8-176.5-179.1-1790110.9T166 K170T166-K168 HydrophobicContact CG2-CG 4.2Å; K168-K170 PolarHBondContact O-N 3.08Å; K168-K170 VanDerWaalsContact O-N 3.13Å
169N95.2Very high95.7Very high177 Ų17775.9 Ų75.995%0.94737%0.371SS*.SBendtrans56.125.6175.3-55.5-24.2000114.9
170K94.2Very high95.7Very high106 Ų10678.4 Ų78.446%0.46137%0.373SS..SBendtrans-140163.8175.2-58.9-174.6179.6-169.80109.7L118 V167 K168 I172 F175L118-K170 HydrophobicContact CD2-CD 4.12Å; V167-K170 HydrophobicContact CG1-CB 3.89Å; V167-K170 HydrophobicContact CG1-CD 4.28Å; V167-K170 HydrophobicContact CG1-CG 4.38Å; K168-K170 PolarHBondContact O-N 3.08Å; K168-K170 VanDerWaalsContact O-N 3.13Å; K170-I172 PolarHBondContact O-N 3.21Å; K170-I172 VanDerWaalsContact O-N 3.13Å; K170-F175 HydrophobicContact CB-CD2 3.65Å; K170-F175 HydrophobicContact CB-CE2 3.96Å; K170-F175 HydrophobicContact CB-CG 4.46Å; K170-F175 HydrophobicContact CD-CD2 3.95Å; K170-F175 HydrophobicContact CD-CE2 3.89Å; K170-F175 HydrophobicContact CD-CG 4.28Å; K170-F175 HydrophobicContact CD-CZ 4.18Å; K170-F175 HydrophobicContact CG-CD2 4.38Å; K170-F175 HydrophobicContact CG-CE2 4.37Å
171D96.2Very high95.7Very high71 Ų7177.9 Ų77.938%0.3837%0.372SS..  trans-69.9108.4174.9-170-17.4000110.5R173 K174 F175D171-R173 PolarHBondContact O-N 2.94Å; D171-R173 VanDerWaalsContact O-N 3.13Å; D171-R173 WeakPolarHBondContact OD1-CB 2.86Å; D171-R173 IonicContact OD1-CZ 3.99Å; D171-R173 PolarHBondContact OD1-N 3.02Å; D171-R173 IonicContact OD1-NE 3.15Å; D171-R173 PolarHBondContact OD1-NE 3.31Å; D171-R173 VanDerWaalsContact OD1-NE 3.15Å; D171-R173 IonicContact OD1-NH2 3.89Å; D171-R173 IonicContact OD2-CZ 3.61Å; D171-R173 IonicContact OD2-NE 3.48Å; D171-R173 PolarHBondContact OD2-NE 3.14Å; D171-R173 IonicContact OD2-NH2 2.87Å; D171-R173 PolarHBondContact OD2-NH2 2.79Å; D171-K174 PolarHBondContact O-N 2.84Å; D171-K174 VanDerWaalsContact O-N 3.09Å; D171-F175 PolarHBondContact O-N 2.87Å
172I95Very high95.7Very high114 Ų11481.2 Ų81.259%0.58540%0.395SS*.THydrogen-bonded Turntrans-61.9-17.1-179.860.4167.3000113.6K170 L176K170-I172 PolarHBondContact O-N 3.21Å; K170-I172 VanDerWaalsContact O-N 3.13Å; I172-L176 WeakPolarHBondContact O-CD2 3.48Å
173R94.1Very high95.7Very high193 Ų19382 Ų8273%0.72840%0.399SS*.THydrogen-bonded Turntrans-83.1-20.7178.5-57.7172.6-62.9167.96.3112.3D171D171-R173 PolarHBondContact O-N 2.94Å; D171-R173 VanDerWaalsContact O-N 3.13Å; D171-R173 WeakPolarHBondContact OD1-CB 2.86Å; D171-R173 IonicContact OD1-CZ 3.99Å; D171-R173 PolarHBondContact OD1-N 3.02Å; D171-R173 IonicContact OD1-NE 3.15Å; D171-R173 PolarHBondContact OD1-NE 3.31Å; D171-R173 VanDerWaalsContact OD1-NE 3.15Å; D171-R173 IonicContact OD1-NH2 3.89Å; D171-R173 IonicContact OD2-CZ 3.61Å; D171-R173 IonicContact OD2-NE 3.48Å; D171-R173 PolarHBondContact OD2-NE 3.14Å; D171-R173 IonicContact OD2-NH2 2.87Å; D171-R173 PolarHBondContact OD2-NH2 2.79Å
174K94.2Very high95.6Very high171 Ų17182.5 Ų82.574%0.74340%0.399SS*.THydrogen-bonded Turntrans-98.3-40.9177-173.7167.2-177.11710111.6D171 L176D171-K174 PolarHBondContact O-N 2.84Å; D171-K174 VanDerWaalsContact O-N 3.09Å; K174-L176 PolarHBondContact O-N 2.91Å
175F94.6Very high95.6Very high73 Ų7382.2 Ų82.232%0.3240%0.399SS..  trans-94.485.5176.8-63.9-78.2000109.9V167 K170 D171 D177V167-F175 HydrophobicContact CG1-CB 4.05Å; V167-F175 HydrophobicContact CG2-CB 4.31Å; K170-F175 HydrophobicContact CB-CD2 3.65Å; K170-F175 HydrophobicContact CB-CE2 3.96Å; K170-F175 HydrophobicContact CB-CG 4.46Å; K170-F175 HydrophobicContact CD-CD2 3.95Å; K170-F175 HydrophobicContact CD-CE2 3.89Å; K170-F175 HydrophobicContact CD-CG 4.28Å; K170-F175 HydrophobicContact CD-CZ 4.18Å; K170-F175 HydrophobicContact CG-CD2 4.38Å; K170-F175 HydrophobicContact CG-CE2 4.37Å; D171-F175 PolarHBondContact O-N 2.87Å; F175-D177 PolarHBondContact O-N 2.79Å
176L95.6Very high95.6Very high107 Ų10783.6 Ų83.656%0.5641%0.407SS*.  trans-84.513.7179.4-58.5175.5000113.1I172 K174I172-L176 WeakPolarHBondContact O-CD2 3.48Å; K174-L176 PolarHBondContact O-N 2.91Å
177D95.8Very high95.5Very high11 Ų1181.8 Ų81.86%0.05940%0.396CS..  trans-62136.4178.8-56.7-55.1000110.5V95 Y96 A97 F117 L118 F175V95-D177 WeakPolarHBondContact O-CA 3.49Å; Y96-D177 WeakPolarHBondContact CA-OD1 3.27Å; A97-D177 PolarHBondContact N-OD1 2.87Å; F117-D177 HydrophobicContact CE2-CB 3.89Å; F117-D177 HydrophobicContact CZ-CB 4.3Å; L118-D177 HydrophobicContact CD1-CB 4.21Å; F175-D177 PolarHBondContact O-N 2.79Å
178G95.9Very high95.4Very high1 Ų185.8 Ų85.81%0.0141%0.414CS..EExtended strand (participates in β ladder)trans162.7174178.800000113.4V95V95-G178 PolarHBondContact N-O 3.21Å; V95-G178 PolarHBondContact O-N 3.37Å
179I96.8Very high95Very high0 Ų086.7 Ų86.70%042%0.421CS..EExtended strand (participates in β ladder)trans-110.5118.2170.8-64.3169.2000108.5M92 R93 I101 V103 I114 L144 I161 Q162 T165M92-I179 HydrophobicContact CB-CG2 3.8Å; M92-I179 HydrophobicContact CE-CG2 3.79Å; M92-I179 HydrophobicContact SD-CG2 4.23Å; R93-I179 WeakPolarHBondContact O-CA 3.15Å; I101-I179 HydrophobicContact CG2-CD1 4.35Å; V103-I179 HydrophobicContact CG2-CD1 3.92Å; I114-I179 HydrophobicContact CD1-CD1 4.07Å; I114-I179 HydrophobicContact CG1-CD1 4.37Å; I114-I179 HydrophobicContact CG2-CD1 4.29Å; L144-I179 HydrophobicContact CD1-CD1 3.89Å; L144-I179 HydrophobicContact CD1-CG2 3.94Å; I161-I179 HydrophobicContact CG2-CB 4.04Å; I161-I179 HydrophobicContact CG2-CD1 4.12Å; I161-I179 HydrophobicContact CG2-CG2 3.79Å; Q162-I179 WeakPolarHBondContact CA-O 3.3Å; Q162-I179 WeakPolarHBondContact CB-O 3.37Å; Q162-I179 WeakPolarHBondContact CG-O 3.43Å; T165-I179 HydrophobicContact CG2-CD1 4.15Å; T165-I179 HydrophobicContact CG2-CG1 4.36Å; T165-I179 PolarHBondContact OG1-N 2.87Å; T165-I179 VanDerWaalsContact OG1-N 3.15Å
180Y97.5Very high94.2Very high88 Ų8881.5 Ų81.535%0.34540%0.402SS..EExtended strand (participates in β ladder)trans-121.3146.2-172.6-60.3-78.5000111.6M92 R93 V95 Q162 S182M92-Y180 CarbonylContact C-O 3.57Å; M92-Y180 WeakPolarHBondContact CA-O 3.46Å; M92-Y180 WeakPolarHBondContact CB-O 3.39Å; R93-Y180 PolarHBondContact N-O 3.2Å; R93-Y180 PolarHBondContact O-N 3.37Å; V95-Y180 HydrophobicContact CG2-CD2 4.22Å; Q162-Y180 HydrophobicContact CG-CD1 4.12Å; Q162-Y180 HydrophobicContact CG-CE1 4.38Å; Y180-S182 PolarHBondContact O-N 3.34Å
181V97.5Very high92.8Very high42 Ų4284.4 Ų84.426%0.25542%0.423SS..EExtended strand (participates in β ladder)trans-70116.4172.3-175.50000109.1Y90 M92 A158 K184Y90-V181 HydrophobicContact CD2-CG1 4.07Å; Y90-V181 HydrophobicContact CD2-CG2 4.49Å; M92-V181 HydrophobicContact CE-CG2 3.84Å; M92-V181 HydrophobicContact CG-CG2 4.01Å; M92-V181 HydrophobicContact SD-CG2 4.33Å; A158-V181 HydrophobicContact CB-CG2 4Å; V181-K184 HydrophobicContact CG1-CG 3.83Å
182S96Very high90.4Very high69 Ų6993.8 Ų93.848%0.48346%0.464SS..EExtended strand (participates in β ladder)trans-92.5-42.217854.80000112.2K91 R93 Y180K91-S182 PolarHBondContact O-N 2.82Å; K91-S182 PolarHBondContact O-OG 2.81Å; K91-S182 VanDerWaalsContact O-OG 3.13Å; R93-S182 WeakPolarHBondContact CG-OG 3.47Å; Y180-S182 PolarHBondContact O-N 3.34Å
183E96.4Very high90.2Very high94 Ų9492.8 Ų92.844%0.43946%0.458SS..EExtended strand (participates in β ladder)trans-136.4134.7-173.8-165-169.6140.700110.1Y90 K91Y90-E183 WeakPolarHBondContact CA-O 3.41Å; K91-E183 HydrophobicContact CB-CB 4.08Å; K91-E183 HydrophobicContact CD-CB 4.29Å; K91-E183 WeakPolarHBondContact CD-OE2 3.43Å; K91-E183 WeakPolarHBondContact CE-OE2 3.35Å; K91-E183 HydrophobicContact CG-CB 4.36Å; K91-E183 PolarHBondContact N-O 3.21Å; K91-E183 IonicContact NZ-OE1 2.82Å; K91-E183 IonicContact NZ-OE2 3.48Å; K91-E183 PolarHBondContact NZ-OE2 2.83Å; K91-E183 PolarHBondContact O-N 3.12Å
184K96.6Very high90Very high147 Ų14787.5 Ų87.564%0.63944%0.444SS*.EExtended strand (participates in β ladder)trans-115.1113.9172.3-62.4178.9-178.5-1800107.7Y90 V181Y90-K184 HydrophobicContact CD1-CB 4.24Å; Y90-K184 HydrophobicContact CD1-CG 4.22Å; Y90-K184 HydrophobicContact CD2-CG 4.22Å; Y90-K184 HydrophobicContact CE1-CB 3.91Å; Y90-K184 HydrophobicContact CE1-CD 4.38Å; Y90-K184 HydrophobicContact CE1-CG 3.93Å; Y90-K184 HydrophobicContact CE2-CD 4.02Å; Y90-K184 HydrophobicContact CE2-CG 3.93Å; Y90-K184 HydrophobicContact CG-CG 4.35Å; V181-K184 HydrophobicContact CG1-CG 3.83Å
185G95Very high89.8Confident23 Ų2382.8 Ų82.824%0.23743%0.427CS..EExtended strand (participates in β ladder)trans-142.1-165.6-176.100000112.8R89R89-G185 PolarHBondContact N-O 2.86Å; R89-G185 CarbonylContact O-C 3.49Å; R89-G185 PolarHBondContact O-N 3.2Å; R89-G185 VanDerWaalsContact O-O 3.13Å
186T95.3Very high89.5Confident31 Ų3183.4 Ų83.419%0.1943%0.434CS..EExtended strand (participates in β ladder)trans-110.5160.9173.449.70000111K82 L86 G87 Q188K82-T186 HydrophobicContact CD-CG2 4.37Å; K82-T186 HydrophobicContact CG-CG2 4.32Å; L86-T186 HydrophobicContact CB-CG2 3.94Å; L86-T186 HydrophobicContact CD1-CG2 4.19Å; G87-T186 WeakPolarHBondContact O-CA 3.39Å; G87-T186 VanDerWaalsContact O-CB 3.24Å; G87-T186 WeakPolarHBondContact O-CB 3.33Å; G87-T186 WeakPolarHBondContact O-CG2 3.12Å; T186-Q188 WeakPolarHBondContact CB-O 3.36Å; T186-Q188 PolarHBondContact OG1-O 3.24Å
187V94Very high89.1Confident28 Ų2881.9 Ų81.917%0.1743%0.426CS..SBendtrans-74.6-47.2176.9174.60000109.9L86 G87 R89 E147L86-V187 WeakPolarHBondContact O-CB 3.41Å; L86-V187 PolarHBondContact O-N 3.19Å; G87-V187 PolarHBondContact O-N 2.88Å; R89-V187 HydrophobicContact CB-CG2 3.96Å; R89-V187 PolarHBondContact NH1-O 3.31Å; E147-V187 HydrophobicContact CB-CG2 4.35Å; E147-V187 HydrophobicContact CG-CG2 4.19Å
188Q92.5Very high88.6Confident99 Ų9986.7 Ų86.746%0.46345%0.45SS..SBendtrans-102.2142.4172.1-67.3171.4-12.600109.7T85 L86 T186T85-Q188 PolarHBondContact O-OE1 2.71Å; L86-Q188 HydrophobicContact CD2-CB 4.24Å; L86-Q188 PolarHBondContact O-N 2.94Å; T186-Q188 WeakPolarHBondContact CB-O 3.36Å; T186-Q188 PolarHBondContact OG1-O 3.24Å
189Q87.6Confident88.1Confident176 Ų17692.8 Ų92.882%0.82248%0.482SS*.PPolyproline II helixtrans-76.9147.9168.4-67.7178.6-5.700108.3
190A78Confident87.5Confident67 Ų6799.9 Ų99.955%0.55452%0.519SS*.PPolyproline II helixtrans-72.2133.4169.400000107.4L86 E192L86-A190 HydrophobicContact CD1-CB 4.11Å; A190-E192 PolarHBondContact O-N 2.82Å
191D64.8Low86.6Confident167 Ų167100.9 Ų100.989%0.89353%0.533SS*.PPolyproline II helixtrans-61.2119.3166.6-60.3-37.5000107
192E45.8Very low85.6Confident268 Ų268106.3 Ų106.3100%1.25256%0.558SS**  trans-66.90175.2-77.3-174.2157.300112.1A190A190-E192 PolarHBondContact O-N 2.82Å

Retrieved 192 of 192 residues in 108.9 ms (Link to these results)

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