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AP-2 complex subunit mu

Component of the adaptor protein complex 2 (AP-2). Adaptor protein complexes function in protein transport via transport vesicles in different membrane traffic pathways. Adaptor protein complexes are vesicle coat components and appear to be involved in cargo selection and vesicle formation. AP-2 is involved in clathrin-dependent endocytosis in which cargo proteins are incorporated into vesicles surrounded by clathrin (clathrin-coated vesicles, CCVs) which are destined for fusion with the early endosome. The clathrin lattice serves as a mechanical scaffold but is itself unable to bind directly to membrane components. Clathrin-associated adaptor protein (AP) complexes which can bind directly to both the clathrin lattice and to the lipid and protein components of membranes are considered to be the major clathrin adaptors contributing the CCV formation. AP-2 also serves as a cargo receptor to selectively sort the membrane proteins involved in receptor-mediated endocytosis. AP-2 seems to play a role in the recycling of synaptic vesicle membranes from the presynaptic surface. AP-2 recognizes Y-X-X-[FILMV] (Y-X-X-Phi) and [ED]-X-X-X-L-[LI] endocytosis signal motifs within the cytosolic tails of transmembrane cargo molecules.

AlphaFold DB , UniProt , Accession A0A087WY71, Species HUMAN (Homo sapiens, Human), Gene AP2M1, Length 434 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
1M92Very high95Very high39 Ų3923.5 Ų23.519%0.19211%0.107CC..  01730-66.6-42.2-85.700111G3 T69 V73 M77 G119 Y120M1-G3 PolarHBondContact O-N 3.16Å; M1-T69 PolarHBondContact O-OG1 3.2Å; M1-V73 VanDerWaalsContact N-CG1 3.28Å; M1-M77 HydrophobicContact CE-CE 3.54Å; M1-M77 HydrophobicContact CE-SD 3.92Å; M1-M77 HydrophobicContact SD-CE 4Å; M1-G119 WeakPolarHBondContact CB-O 3.46Å; M1-Y120 HydrophobicContact CB-CE2 4.45Å; M1-Y120 HydrophobicContact CE-CD1 3.69Å; M1-Y120 HydrophobicContact CE-CE1 4.28Å; M1-Y120 HydrophobicContact CE-CG 4.18Å; M1-Y120 HydrophobicContact CG-CD1 3.61Å; M1-Y120 HydrophobicContact CG-CD2 4.28Å; M1-Y120 HydrophobicContact CG-CE1 3.35Å; M1-Y120 HydrophobicContact CG-CE2 4.04Å; M1-Y120 HydrophobicContact CG-CG 4.05Å; M1-Y120 HydrophobicContact SD-CD1 4.21Å; M1-Y120 HydrophobicContact SD-CE1 4.19Å
2I95.8Very high94.7Very high1 Ų121.7 Ų21.71%0.00510%0.099CC..  trans-66.8129.9-175.2-62.1170.8000108.9A67 V78 F81 L116 G119I2-A67 HydrophobicContact CG2-CB 4.11Å; I2-V78 HydrophobicContact CD1-CG1 4.15Å; I2-V78 HydrophobicContact CD1-CG2 4.2Å; I2-V78 HydrophobicContact CG1-CG1 4.44Å; I2-V78 HydrophobicContact CG1-CG2 4.02Å; I2-F81 HydrophobicContact CD1-CD1 3.91Å; I2-F81 HydrophobicContact CD1-CE1 4.38Å; I2-F81 HydrophobicContact CD1-CG 4.49Å; I2-L116 HydrophobicContact CB-CD2 4.45Å; I2-L116 HydrophobicContact CD1-CD1 4.29Å; I2-L116 HydrophobicContact CD1-CD2 4.34Å; I2-L116 HydrophobicContact CG2-CD2 4.28Å; I2-G119 PolarHBondContact N-O 2.98Å; I2-G119 WeakPolarHBondContact O-CA 3.33Å
3G95.1Very high94.7Very high0 Ų027.5 Ų27.50%013%0.126CC..  trans-95-29.1-177.400000113.7M1 Y20 R21 I24 V68M1-G3 PolarHBondContact O-N 3.16Å; G3-Y20 PolarHBondContact O-N 3.46Å; G3-R21 PolarHBondContact O-N 3.16Å; G3-I24 VanDerWaalsContact C-CG1 3.46Å; G3-V68 WeakPolarHBondContact CA-O 3.49Å; G3-V68 PolarHBondContact N-O 3.14Å
4G96.2Very high94.7Very high0 Ų029.8 Ų29.80%014%0.143CC..EExtended strand (participates in β ladder)trans-159.6153.7174.900000111.5R18 A67 V68G4-R18 CarbonylContact C-O 3.55Å; G4-R18 WeakPolarHBondContact CA-O 3.28Å; G4-A67 CarbonylContact O-C 3.59Å; G4-A67 WeakPolarHBondContact O-CA 3.49Å; G4-V68 PolarHBondContact N-O 2.94Å; G4-V68 PolarHBondContact O-N 3.09Å
5L97Very high94.8Very high0 Ų029.1 Ų29.10%014%0.14CC..EExtended strand (participates in β ladder)trans-130.7129.1175.9-170143.9000109.8I7 R18 Y20 A66 F81 L82 M85 L112L5-I7 HydrophobicContact CD2-CG1 4.19Å; L5-R18 PolarHBondContact N-O 3.3Å; L5-R18 PolarHBondContact O-N 3.03Å; L5-R18 VanDerWaalsContact O-O 3.1Å; L5-Y20 HydrophobicContact CB-CE2 4.02Å; L5-A66 WeakPolarHBondContact CA-O 3.15Å; L5-F81 HydrophobicContact CD1-CD1 4.44Å; L5-F81 HydrophobicContact CD1-CE1 3.57Å; L5-F81 HydrophobicContact CD1-CZ 4.42Å; L5-L82 HydrophobicContact CD1-CD2 3.89Å; L5-M85 HydrophobicContact CD1-SD 3.69Å; L5-M85 HydrophobicContact CD2-CE 3.65Å; L5-M85 HydrophobicContact CD2-SD 3.84Å; L5-M85 HydrophobicContact CG-SD 4.43Å; L5-L112 HydrophobicContact CD2-CD1 4.42Å; L5-L112 HydrophobicContact CD2-CD2 4.14Å
6F96.6Very high94.9Very high2 Ų227.3 Ų27.31%0.00913%0.132CC..EExtended strand (participates in β ladder)trans-131.1140-175-51.4-77.1000109.7Y8 I16 S17 V19 I24 V29 A66 V68F6-Y8 HydrophobicContact CB-CD2 4.23Å; F6-Y8 HydrophobicContact CB-CE2 3.35Å; F6-Y8 WeakPolarHBondContact CB-OH 3.04Å; F6-Y8 HydrophobicContact CG-CE2 4.38Å; F6-I16 WeakPolarHBondContact CA-O 3.3Å; F6-S17 WeakPolarHBondContact CE1-OG 3.48Å; F6-V19 HydrophobicContact CE1-CG2 4.11Å; F6-V19 HydrophobicContact CZ-CG2 4.09Å; F6-I24 HydrophobicContact CE2-CG2 4.14Å; F6-I24 HydrophobicContact CZ-CG2 3.88Å; F6-V29 HydrophobicContact CD1-CG2 3.73Å; F6-V29 HydrophobicContact CE1-CG2 3.37Å; F6-V29 HydrophobicContact CE2-CG2 4.21Å; F6-V29 HydrophobicContact CG-CG2 4.3Å; F6-V29 HydrophobicContact CZ-CG2 3.64Å; F6-A66 PolarHBondContact N-O 2.88Å; F6-A66 PolarHBondContact O-N 3.24Å; F6-V68 HydrophobicContact CD2-CB 4.48Å; F6-V68 HydrophobicContact CD2-CG2 3.59Å; F6-V68 HydrophobicContact CE2-CB 3.99Å; F6-V68 HydrophobicContact CE2-CG2 3.52Å
7I97.2Very high94.9Very high1 Ų128.7 Ų28.71%0.00515%0.145CC..EExtended strand (participates in β ladder)trans-115.1126.7173-52-177.7000107.8L5 V14 L15 I16 I63 W64 L65 M85 M89 I101L5-I7 HydrophobicContact CD2-CG1 4.19Å; I7-V14 CarbonylContact O-C 3.59Å; I7-L15 PolarHBondContact O-N 3.01Å; I7-I16 HydrophobicContact CB-CB 3.97Å; I7-I16 HydrophobicContact CB-CG1 4.36Å; I7-I16 HydrophobicContact CD1-CB 3.99Å; I7-I16 HydrophobicContact CD1-CG1 3.96Å; I7-I16 HydrophobicContact CD1-CG2 4.48Å; I7-I16 HydrophobicContact CG1-CB 3.94Å; I7-I16 HydrophobicContact CG1-CG1 4.4Å; I7-I16 PolarHBondContact N-O 3.11Å; I7-I16 PolarHBondContact O-N 3.37Å; I7-I63 HydrophobicContact CG2-CG2 3.35Å; I7-W64 CarbonylContact C-O 3.58Å; I7-W64 VanDerWaalsContact CA-O 3.29Å; I7-W64 WeakPolarHBondContact CA-O 3.38Å; I7-L65 HydrophobicContact CG1-CG 4.26Å; I7-L65 HydrophobicContact CG2-CG 4.47Å; I7-M85 HydrophobicContact CD1-CE 3.75Å; I7-M85 HydrophobicContact CG1-CE 4.48Å; I7-M89 HydrophobicContact CD1-CE 3.77Å; I7-I101 HydrophobicContact CG2-CD1 3.85Å
8Y96Very high95Very high0 Ų031.5 Ų31.50%015%0.154CC..EExtended strand (participates in β ladder)trans-118.2151.8-179.1-51.9-101000111.5F6 G12 E13 V14 V29 F32 I37 I63 W64 A66F6-Y8 HydrophobicContact CB-CD2 4.23Å; F6-Y8 HydrophobicContact CB-CE2 3.35Å; F6-Y8 WeakPolarHBondContact CB-OH 3.04Å; F6-Y8 HydrophobicContact CG-CE2 4.38Å; Y8-G12 WeakPolarHBondContact CD1-O 3.1Å; Y8-E13 CarbonylContact C-O 3.58Å; Y8-E13 WeakPolarHBondContact CA-O 3.41Å; Y8-V14 HydrophobicContact CD1-CG2 3.85Å; Y8-V14 HydrophobicContact CE1-CG2 3.54Å; Y8-V29 HydrophobicContact CE1-CG1 3.87Å; Y8-V29 WeakPolarHBondContact OH-CA 3.46Å; Y8-F32 AromaticContact CD2-CD1 3.83Å; Y8-F32 HydrophobicContact CD2-CD1 3.83Å; Y8-F32 AromaticContact CD2-CE1 3.84Å; Y8-F32 HydrophobicContact CD2-CE1 3.84Å; Y8-F32 HydrophobicContact CE1-CD1 4.36Å; Y8-F32 AromaticContact CE2-CD1 3.4Å; Y8-F32 HydrophobicContact CE2-CD1 3.4Å; Y8-F32 VanDerWaalsContact CE2-CD1 3.4Å; Y8-F32 AromaticContact CE2-CE1 3.81Å; Y8-F32 HydrophobicContact CE2-CE1 3.81Å; Y8-F32 HydrophobicContact CE2-CG 4.34Å; Y8-F32 HydrophobicContact CG-CD1 4.49Å; Y8-F32 AromaticContact CZ-CD1 3.73Å; Y8-I37 HydrophobicContact CD1-CD1 4.06Å; Y8-I37 HydrophobicContact CD2-CD1 4.31Å; Y8-I37 HydrophobicContact CG-CD1 3.8Å; Y8-I63 WeakPolarHBondContact O-CA 3.28Å; Y8-W64 HydrophobicContact CD2-CB 4.48Å; Y8-W64 PolarHBondContact N-O 3Å; Y8-W64 PolarHBondContact O-N 3.35Å; Y8-A66 HydrophobicContact CD2-CB 4.5Å; Y8-A66 HydrophobicContact CE2-CB 3.91Å
9N95.1Very high95Very high1 Ų133.3 Ų33.31%0.00517%0.167CC..  trans-82-176.8164.972.410.2000111.6K11 G12 E13 L15 N62 E98N9-K11 PolarHBondContact O-N 3.35Å; N9-K11 WeakPolarHBondContact OD1-CA 3.39Å; N9-K11 WeakPolarHBondContact OD1-CB 3.38Å; N9-K11 PolarHBondContact OD1-N 3.31Å; N9-G12 PolarHBondContact O-N 3.19Å; N9-G12 VanDerWaalsContact O-N 3.08Å; N9-G12 PolarHBondContact OD1-N 3.26Å; N9-G12 VanDerWaalsContact OD1-N 3.12Å; N9-E13 PolarHBondContact N-O 2.83Å; N9-E13 PolarHBondContact ND2-OE2 2.63Å; N9-E13 PolarHBondContact OD1-N 3.1Å; N9-L15 HydrophobicContact CB-CD1 4.14Å; N9-L15 HydrophobicContact CB-CD2 4.34Å; N9-L15 HydrophobicContact CB-CG 4.26Å; N9-N62 CarbonylContact C-O 3.59Å; N9-E98 WeakPolarHBondContact CB-OE2 3.08Å
10H91.4Very high95Very high100 Ų10032.7 Ų32.746%0.46316%0.162SC..THydrogen-bonded Turntrans-69.1-17.3-178.573.784.6000114.1G12 N62H10-G12 VanDerWaalsContact C-N 3.32Å; H10-N62 HydrophobicContact CB-CB 4.23Å; H10-N62 PolarHBondContact N-O 2.75Å; H10-N62 VanDerWaalsContact N-O 3.14Å
11K92.6Very high95Very high115 Ų11532.2 Ų32.250%0.516%0.159SC..THydrogen-bonded Turntrans-89.3-3.3174.7-54.3-179.8-176172.10112.2N9 E13 H38N9-K11 PolarHBondContact O-N 3.35Å; N9-K11 WeakPolarHBondContact OD1-CA 3.39Å; N9-K11 WeakPolarHBondContact OD1-CB 3.38Å; N9-K11 PolarHBondContact OD1-N 3.31Å; K11-E13 VanDerWaalsContact C-N 3.32Å; K11-E13 HydrophobicContact CB-CG 4.38Å; K11-H38 PolarHBondContact O-CE1 3.3Å; K11-H38 PolarHBondContact O-NE2 2.68Å; K11-H38 VanDerWaalsContact O-NE2 3.13Å
12G91.7Very high94.9Very high1 Ų138.2 Ų38.21%0.0119%0.192CC..  trans74.818.5-175.300000114.5Y8 N9 H10 R33 I37Y8-G12 WeakPolarHBondContact CD1-O 3.1Å; N9-G12 PolarHBondContact O-N 3.19Å; N9-G12 VanDerWaalsContact O-N 3.08Å; N9-G12 PolarHBondContact OD1-N 3.26Å; N9-G12 VanDerWaalsContact OD1-N 3.12Å; H10-G12 VanDerWaalsContact C-N 3.32Å; G12-R33 WeakPolarHBondContact O-CD 3.49Å; G12-I37 VanDerWaalsContact CA-CD1 3.47Å
13E93.9Very high94.7Very high97 Ų9740.9 Ų40.945%0.45321%0.206SC..  trans-75.8140167.6-61.8165.7166.900109.4Y8 N9 K11 L15Y8-E13 CarbonylContact C-O 3.58Å; Y8-E13 WeakPolarHBondContact CA-O 3.41Å; N9-E13 PolarHBondContact N-O 2.83Å; N9-E13 PolarHBondContact ND2-OE2 2.63Å; N9-E13 PolarHBondContact OD1-N 3.1Å; K11-E13 VanDerWaalsContact C-N 3.32Å; K11-E13 HydrophobicContact CB-CG 4.38Å; E13-L15 PolarHBondContact O-N 2.85Å
14V95.1Very high94.5Very high60 Ų6041.4 Ų41.436%0.36421%0.208SC..EExtended strand (participates in β ladder)trans-79.5117-179.1-174.10000109.3I7 Y8 I16 V29I7-V14 CarbonylContact O-C 3.59Å; Y8-V14 HydrophobicContact CD1-CG2 3.85Å; Y8-V14 HydrophobicContact CE1-CG2 3.54Å; V14-I16 WeakPolarHBondContact CG1-O 3.44Å; V14-V29 HydrophobicContact CG2-CG1 3.26Å
15L95.8Very high94Very high19 Ų1943.4 Ų43.410%0.09923%0.23CC..EExtended strand (participates in β ladder)trans-85.8-39.5172.6-59.3-179.9000111.7I7 N9 E13 I63 E98 I101 F105I7-L15 PolarHBondContact O-N 3.01Å; N9-L15 HydrophobicContact CB-CD1 4.14Å; N9-L15 HydrophobicContact CB-CD2 4.34Å; N9-L15 HydrophobicContact CB-CG 4.26Å; E13-L15 PolarHBondContact O-N 2.85Å; L15-I63 HydrophobicContact CD1-CD1 3.74Å; L15-E98 HydrophobicContact CD1-CB 4.22Å; L15-E98 HydrophobicContact CD1-CG 3.95Å; L15-E98 HydrophobicContact CD2-CG 3.83Å; L15-I101 HydrophobicContact CB-CG2 3.89Å; L15-I101 HydrophobicContact CD1-CB 4.47Å; L15-I101 HydrophobicContact CD1-CD1 3.92Å; L15-I101 HydrophobicContact CD1-CG2 4.36Å; L15-F105 WeakPolarHBondContact O-CE2 3.14Å
16I96.6Very high93.2Very high1 Ų153.9 Ų53.91%0.00527%0.269CS..EExtended strand (participates in β ladder)trans-135.1134.8176.7-61.2-70.4000108.4F6 I7 V14 I101 F105 I108 Y109 L112F6-I16 WeakPolarHBondContact CA-O 3.3Å; I7-I16 HydrophobicContact CB-CB 3.97Å; I7-I16 HydrophobicContact CB-CG1 4.36Å; I7-I16 HydrophobicContact CD1-CB 3.99Å; I7-I16 HydrophobicContact CD1-CG1 3.96Å; I7-I16 HydrophobicContact CD1-CG2 4.48Å; I7-I16 HydrophobicContact CG1-CB 3.94Å; I7-I16 HydrophobicContact CG1-CG1 4.4Å; I7-I16 PolarHBondContact N-O 3.11Å; I7-I16 PolarHBondContact O-N 3.37Å; V14-I16 WeakPolarHBondContact CG1-O 3.44Å; I16-I101 HydrophobicContact CD1-CG2 4.12Å; I16-I101 HydrophobicContact CG1-CG2 3.7Å; I16-F105 HydrophobicContact CD1-CD2 3.39Å; I16-F105 HydrophobicContact CD1-CE2 3.59Å; I16-F105 HydrophobicContact CD1-CG 4.17Å; I16-F105 HydrophobicContact CD1-CZ 4.49Å; I16-I108 HydrophobicContact CD1-CB 4.35Å; I16-I108 HydrophobicContact CD1-CG2 3.97Å; I16-I108 HydrophobicContact CG1-CG2 4.03Å; I16-I108 HydrophobicContact CG2-CG2 4.35Å; I16-Y109 HydrophobicContact CD1-CD2 4.29Å; I16-Y109 HydrophobicContact CD1-CE2 3.66Å; I16-Y109 HydrophobicContact CG2-CE2 4.24Å; I16-L112 HydrophobicContact CG2-CD1 3.79Å
17S95.3Very high92.6Very high51 Ų5160.2 Ų60.236%0.35730%0.303SS..EExtended strand (participates in β ladder)trans-127.8114.3172.8177.30000109.2F6 Y109F6-S17 WeakPolarHBondContact CE1-OG 3.48Å; S17-Y109 PolarHBondContact N-OH 2.81Å; S17-Y109 WeakPolarHBondContact O-CE1 3.31Å; S17-Y109 PolarHBondContact O-OH 2.74Å
18R95.8Very high92Very high79 Ų7960.7 Ų60.730%0.29831%0.307SS..EExtended strand (participates in β ladder)trans-129.5121.7173-165.568-177.3170.83.1110.3G4 L5 Y20 Y109 L112 D113G4-R18 CarbonylContact C-O 3.55Å; G4-R18 WeakPolarHBondContact CA-O 3.28Å; L5-R18 PolarHBondContact N-O 3.3Å; L5-R18 PolarHBondContact O-N 3.03Å; L5-R18 VanDerWaalsContact O-O 3.1Å; R18-Y20 HydrophobicContact CB-CE2 4.28Å; R18-Y20 HydrophobicContact CG-CE1 3.85Å; R18-Y20 HydrophobicContact CG-CE2 3.96Å; R18-Y20 VanDerWaalsContact CG-CZ 3.49Å; R18-Y20 WeakPolarHBondContact CG-OH 3.5Å; R18-Y109 HydrophobicContact CB-CE1 4.47Å; R18-L112 HydrophobicContact CB-CD1 3.92Å; R18-L112 HydrophobicContact CG-CD1 4.35Å; R18-D113 IonicContact CZ-OD1 2.92Å; R18-D113 IonicContact CZ-OD2 3.29Å; R18-D113 VanDerWaalsContact CZ-OD2 3.29Å; R18-D113 IonicContact NE-OD1 2.7Å; R18-D113 PolarHBondContact NE-OD1 3.04Å; R18-D113 IonicContact NE-OD2 3.83Å; R18-D113 IonicContact NH1-OD2 3.86Å; R18-D113 IonicContact NH2-OD1 2.65Å; R18-D113 PolarHBondContact NH2-OD1 3.12Å; R18-D113 IonicContact NH2-OD2 2.75Å; R18-D113 PolarHBondContact NH2-OD2 2.83Å
19V95.8Very high91.4Very high66 Ų6661.7 Ų61.740%0.431%0.313SS..EExtended strand (participates in β ladder)trans-110.5134.7-179.5177.80000108.2F6 R21 I24F6-V19 HydrophobicContact CE1-CG2 4.11Å; F6-V19 HydrophobicContact CZ-CG2 4.09Å; V19-R21 WeakPolarHBondContact CG1-O 3.31Å; V19-I24 HydrophobicContact CG1-CB 4.22Å
20Y95.6Very high91.1Very high20 Ų2064.9 Ų64.98%0.07833%0.33CS..  trans-117.2-8.2-177.5-58.4-78.7000113.1G3 L5 R18 L112 L116 F118G3-Y20 PolarHBondContact O-N 3.46Å; L5-Y20 HydrophobicContact CB-CE2 4.02Å; R18-Y20 HydrophobicContact CB-CE2 4.28Å; R18-Y20 HydrophobicContact CG-CE1 3.85Å; R18-Y20 HydrophobicContact CG-CE2 3.96Å; R18-Y20 VanDerWaalsContact CG-CZ 3.49Å; R18-Y20 WeakPolarHBondContact CG-OH 3.5Å; Y20-L112 WeakPolarHBondContact OH-CB 3.45Å; Y20-L112 PolarHBondContact OH-O 2.96Å; Y20-L116 WeakPolarHBondContact CD1-O 3.24Å; Y20-L116 HydrophobicContact CD2-CD2 3.8Å; Y20-L116 HydrophobicContact CD2-CG 4.39Å; Y20-L116 HydrophobicContact CE1-CB 4.2Å; Y20-L116 HydrophobicContact CE1-CD2 4.27Å; Y20-L116 HydrophobicContact CE1-CG 4.14Å; Y20-L116 WeakPolarHBondContact CE1-O 3.41Å; Y20-L116 HydrophobicContact CE2-CD2 3.26Å; Y20-L116 HydrophobicContact CE2-CG 4.01Å; Y20-L116 HydrophobicContact CG-CD2 4.49Å; Y20-F118 WeakPolarHBondContact O-CD2 3.39Å; Y20-F118 WeakPolarHBondContact O-CE2 3.23Å
21R93.6Very high91Very high24 Ų2461.2 Ų61.29%0.09132%0.317CS..SBendtrans-138.7141.9176.4-72.4-79.5-175.5-72.20.7109.9G3 V19 D23 I24 F118G3-R21 PolarHBondContact O-N 3.16Å; V19-R21 WeakPolarHBondContact CG1-O 3.31Å; R21-D23 WeakPolarHBondContact CB-OD1 3.38Å; R21-D23 PolarHBondContact O-N 3.04Å; R21-I24 PolarHBondContact O-N 3.43Å; R21-F118 VanDerWaalsContact CZ-O 3.23Å; R21-F118 PolarHBondContact NH1-O 3.02Å; R21-F118 VanDerWaalsContact NH2-CD1 3.31Å; R21-F118 VanDerWaalsContact NH2-CE1 3.29Å; R21-F118 PolarHBondContact NH2-O 3.12Å
22D91.6Very high90.9Very high165 Ų16555.8 Ų55.888%0.88229%0.293SS*.THydrogen-bonded Turntrans-68-16.3-179.8-54.5-35.5000113.4I24D22-I24 PolarHBondContact O-N 2.88Å
23D90.1Very high90.9Very high57 Ų5760.3 Ų60.331%0.30531%0.31SS..THydrogen-bonded Turntrans-76.7-7.318074.2-25.9000113.6R21 K70R21-D23 WeakPolarHBondContact CB-OD1 3.38Å; R21-D23 PolarHBondContact O-N 3.04Å; D23-K70 HydrophobicContact CB-CD 4.38Å; D23-K70 VanDerWaalsContact O-CE 3.3Å; D23-K70 WeakPolarHBondContact O-CE 3.35Å; D23-K70 PolarHBondContact O-NZ 3.45Å
24I91.8Very high90.7Very high10 Ų1059.6 Ų59.65%0.05131%0.313CS..  trans-99.997.3175.8-54.6-50.5000110.1G3 F6 V19 R21 D22 A28 V68 K70G3-I24 VanDerWaalsContact C-CG1 3.46Å; F6-I24 HydrophobicContact CE2-CG2 4.14Å; F6-I24 HydrophobicContact CZ-CG2 3.88Å; V19-I24 HydrophobicContact CG1-CB 4.22Å; R21-I24 PolarHBondContact O-N 3.43Å; D22-I24 PolarHBondContact O-N 2.88Å; I24-A28 HydrophobicContact CG2-CB 3.99Å; I24-V68 HydrophobicContact CD1-CG1 4.04Å; I24-V68 HydrophobicContact CG2-CG1 4.37Å; I24-K70 HydrophobicContact CD1-CD 4.5Å; I24-K70 HydrophobicContact CD1-CG 4.2Å
25G84.5Confident90.4Very high43 Ų4361 Ų6144%0.44332%0.318SS..  trans-84.7171.9174.100000113.8N27 A28G25-N27 PolarHBondContact O-N 2.76Å; G25-N27 VanDerWaalsContact O-N 3.12Å; G25-A28 WeakPolarHBondContact O-CB 3.34Å; G25-A28 PolarHBondContact O-N 2.75Å
26R80.4Confident90.1Very high219 Ų21960.3 Ų60.383%0.82631%0.314SS*.Hα-helixtrans-54.4-31.5176.3-64.8179.8-175.7173.31.9113A28 V29 D30R26-A28 PolarHBondContact O-N 2.65Å; R26-A28 VanDerWaalsContact O-N 3.12Å; R26-V29 VanDerWaalsContact O-CB 3.31Å; R26-V29 WeakPolarHBondContact O-CB 3.45Å; R26-V29 PolarHBondContact O-N 3.03Å; R26-D30 PolarHBondContact O-N 2.82Å
27N85.1Confident89.8Confident135 Ų13561.4 Ų61.472%0.72232%0.32SS*.Hα-helixtrans-57.3-29.6178.2-584.3000113G25 V29 A31G25-N27 PolarHBondContact O-N 2.76Å; G25-N27 VanDerWaalsContact O-N 3.12Å; N27-V29 VanDerWaalsContact C-N 3.34Å; N27-A31 VanDerWaalsContact O-CB 3.28Å; N27-A31 WeakPolarHBondContact O-CB 3.11Å; N27-A31 PolarHBondContact O-N 2.82Å
28A83.9Confident89.5Confident11 Ų1164.1 Ų64.19%0.09133%0.327CS..Hα-helixtrans-67.8-36.7178.300000112I24 G25 R26 A31 F32 F55 V68I24-A28 HydrophobicContact CG2-CB 3.99Å; G25-A28 WeakPolarHBondContact O-CB 3.34Å; G25-A28 PolarHBondContact O-N 2.75Å; R26-A28 PolarHBondContact O-N 2.65Å; R26-A28 VanDerWaalsContact O-N 3.12Å; A28-A31 PolarHBondContact O-N 3.04Å; A28-F32 PolarHBondContact O-N 2.78Å; A28-F32 VanDerWaalsContact O-N 3.16Å; A28-F55 HydrophobicContact CB-CE1 4.34Å; A28-F55 HydrophobicContact CB-CZ 4.19Å; A28-F55 VanDerWaalsContact O-CE1 3.24Å; A28-F55 WeakPolarHBondContact O-CE1 3.39Å; A28-F55 WeakPolarHBondContact O-CZ 3.42Å; A28-V68 HydrophobicContact CB-CG1 4.21Å
29V83.3Confident89.1Confident21 Ų2162.2 Ų62.213%0.12733%0.328CS..Hα-helixtrans-63.4-47.9177.8179.30000110.4F6 Y8 V14 R26 N27 F32 R33F6-V29 HydrophobicContact CD1-CG2 3.73Å; F6-V29 HydrophobicContact CE1-CG2 3.37Å; F6-V29 HydrophobicContact CE2-CG2 4.21Å; F6-V29 HydrophobicContact CG-CG2 4.3Å; F6-V29 HydrophobicContact CZ-CG2 3.64Å; Y8-V29 HydrophobicContact CE1-CG1 3.87Å; Y8-V29 WeakPolarHBondContact OH-CA 3.46Å; V14-V29 HydrophobicContact CG2-CG1 3.26Å; R26-V29 VanDerWaalsContact O-CB 3.31Å; R26-V29 WeakPolarHBondContact O-CB 3.45Å; R26-V29 PolarHBondContact O-N 3.03Å; N27-V29 VanDerWaalsContact C-N 3.34Å; V29-F32 PolarHBondContact O-N 2.78Å; V29-R33 PolarHBondContact O-N 3.25Å
30D88.3Confident88.2Confident69 Ų6971.5 Ų71.537%0.36936%0.356SS..Hα-helixtrans-66.9-39.7178.5-73.2-41.7000112.5R26 F32 R33 V34R26-D30 PolarHBondContact O-N 2.82Å; D30-F32 VanDerWaalsContact C-N 3.31Å; D30-F32 PolarHBondContact O-N 3.47Å; D30-R33 PolarHBondContact O-N 2.97Å; D30-R33 IonicContact OD1-CZ 3.4Å; D30-R33 IonicContact OD1-NE 3.65Å; D30-R33 IonicContact OD1-NH2 2.68Å; D30-R33 PolarHBondContact OD1-NH2 3.12Å; D30-V34 WeakPolarHBondContact O-CG2 3.45Å; D30-V34 PolarHBondContact O-N 3.33Å
31A89.8Confident87.5Confident23 Ų2376.3 Ų76.319%0.1938%0.379CS..Hα-helixtrans-59.3-42.3177.800000111.8N27 A28 N35 I50 F55N27-A31 VanDerWaalsContact O-CB 3.28Å; N27-A31 WeakPolarHBondContact O-CB 3.11Å; N27-A31 PolarHBondContact O-N 2.82Å; A28-A31 PolarHBondContact O-N 3.04Å; A31-N35 VanDerWaalsContact O-CB 3.3Å; A31-N35 WeakPolarHBondContact O-CB 3.35Å; A31-N35 PolarHBondContact O-N 3.29Å; A31-N35 PolarHBondContact O-ND2 3.27Å; A31-I50 HydrophobicContact CB-CG2 4.45Å; A31-F55 HydrophobicContact CB-CZ 4.3Å
32F91Very high86.6Confident0 Ų083.9 Ų83.90%042%0.415CS..Hα-helixtrans-65.3-47.1177.3-173.4-105.2000112Y8 A28 V29 D30 V34 V36 I37 F55 H57 A66Y8-F32 AromaticContact CD2-CD1 3.83Å; Y8-F32 HydrophobicContact CD2-CD1 3.83Å; Y8-F32 AromaticContact CD2-CE1 3.84Å; Y8-F32 HydrophobicContact CD2-CE1 3.84Å; Y8-F32 HydrophobicContact CE1-CD1 4.36Å; Y8-F32 AromaticContact CE2-CD1 3.4Å; Y8-F32 HydrophobicContact CE2-CD1 3.4Å; Y8-F32 VanDerWaalsContact CE2-CD1 3.4Å; Y8-F32 AromaticContact CE2-CE1 3.81Å; Y8-F32 HydrophobicContact CE2-CE1 3.81Å; Y8-F32 HydrophobicContact CE2-CG 4.34Å; Y8-F32 HydrophobicContact CG-CD1 4.49Å; Y8-F32 AromaticContact CZ-CD1 3.73Å; A28-F32 PolarHBondContact O-N 2.78Å; A28-F32 VanDerWaalsContact O-N 3.16Å; V29-F32 PolarHBondContact O-N 2.78Å; D30-F32 VanDerWaalsContact C-N 3.31Å; D30-F32 PolarHBondContact O-N 3.47Å; F32-V34 PolarHBondContact O-N 2.95Å; F32-V36 HydrophobicContact CD2-CB 3.9Å; F32-V36 HydrophobicContact CD2-CG1 4.37Å; F32-V36 HydrophobicContact CD2-CG2 3.7Å; F32-V36 HydrophobicContact CE2-CB 3.72Å; F32-V36 HydrophobicContact CE2-CG1 3.67Å; F32-V36 HydrophobicContact CE2-CG2 3.75Å; F32-V36 HydrophobicContact CG-CB 4.47Å; F32-V36 HydrophobicContact CZ-CB 4.14Å; F32-V36 HydrophobicContact CZ-CG1 3.85Å; F32-V36 WeakPolarHBondContact O-CA 2.94Å; F32-V36 VanDerWaalsContact O-CB 3.31Å; F32-V36 WeakPolarHBondContact O-CB 3.41Å; F32-V36 PolarHBondContact O-N 3.49Å; F32-I37 HydrophobicContact CD1-CD1 3.96Å; F32-I37 HydrophobicContact CD1-CG1 4.14Å; F32-I37 HydrophobicContact CE1-CD1 3.81Å; F32-I37 HydrophobicContact CE1-CG1 3.84Å; F32-I37 PolarHBondContact O-N 2.8Å; F32-F55 HydrophobicContact CB-CD1 3.81Å; F32-F55 HydrophobicContact CB-CE1 3.79Å; F32-F55 HydrophobicContact CD2-CB 3.91Å; F32-F55 AromaticContact CD2-CD1 3.59Å; F32-F55 HydrophobicContact CD2-CD1 3.59Å; F32-F55 HydrophobicContact CD2-CE1 4.42Å; F32-F55 AromaticContact CD2-CG 3.95Å; F32-F55 HydrophobicContact CD2-CG 3.95Å; F32-F55 HydrophobicContact CE2-CB 4.21Å; F32-F55 HydrophobicContact CG-CD1 4.04Å; F32-H57 HydrophobicContact CE2-CB 3.78Å; F32-H57 AromaticContact CE2-CG 3.69Å; F32-H57 AromaticContact CE2-ND1 3.65Å; F32-H57 HydrophobicContact CZ-CB 3.56Å; F32-H57 AromaticContact CZ-CG 3.69Å; F32-A66 HydrophobicContact CD1-CB 4.15Å; F32-A66 HydrophobicContact CD2-CB 4.39Å; F32-A66 HydrophobicContact CE1-CB 3.86Å; F32-A66 HydrophobicContact CE2-CB 4.12Å; F32-A66 HydrophobicContact CG-CB 4.4Å; F32-A66 HydrophobicContact CZ-CB 3.85Å
33R90.7Very high85.8Confident96 Ų9678.9 Ų78.936%0.36239%0.391SS..Iπ-helixtrans-55.4-51.5177.6175.1178.164.9161-4.5111.9G12 V29 D30 I37 H38G12-R33 WeakPolarHBondContact O-CD 3.49Å; V29-R33 PolarHBondContact O-N 3.25Å; D30-R33 PolarHBondContact O-N 2.97Å; D30-R33 IonicContact OD1-CZ 3.4Å; D30-R33 IonicContact OD1-NE 3.65Å; D30-R33 IonicContact OD1-NH2 2.68Å; D30-R33 PolarHBondContact OD1-NH2 3.12Å; R33-I37 WeakPolarHBondContact O-CB 3.48Å; R33-I37 PolarHBondContact O-N 3.28Å; R33-H38 PolarHBondContact O-N 3.12Å
34V89.8Confident84.9Confident83 Ų8386.2 Ų86.250%0.50341%0.414SS..Iπ-helixtrans-71.1-45.8-174.5175.20000111.9D30 F32D30-V34 WeakPolarHBondContact O-CG2 3.45Å; D30-V34 PolarHBondContact O-N 3.33Å; F32-V34 PolarHBondContact O-N 2.95Å
35N89.3Confident84.9Confident88 Ų8888.2 Ų88.247%0.47143%0.429SS..Iπ-helixtrans-92.4-18.8-169-62.3-73.8000114.1A31 A39 I50A31-N35 VanDerWaalsContact O-CB 3.3Å; A31-N35 WeakPolarHBondContact O-CB 3.35Å; A31-N35 PolarHBondContact O-N 3.29Å; A31-N35 PolarHBondContact O-ND2 3.27Å; N35-A39 WeakPolarHBondContact O-CB 3.47Å; N35-I50 HydrophobicContact CB-CD1 3.69Å
36V90.5Very high85.4Confident5 Ų589.6 Ų89.63%0.0343%0.431CS..Iπ-helixtrans-113.6-55.8-178.9-176.10000110.8F32 A39 V43 T48 I50F32-V36 HydrophobicContact CD2-CB 3.9Å; F32-V36 HydrophobicContact CD2-CG1 4.37Å; F32-V36 HydrophobicContact CD2-CG2 3.7Å; F32-V36 HydrophobicContact CE2-CB 3.72Å; F32-V36 HydrophobicContact CE2-CG1 3.67Å; F32-V36 HydrophobicContact CE2-CG2 3.75Å; F32-V36 HydrophobicContact CG-CB 4.47Å; F32-V36 HydrophobicContact CZ-CB 4.14Å; F32-V36 HydrophobicContact CZ-CG1 3.85Å; F32-V36 WeakPolarHBondContact O-CA 2.94Å; F32-V36 VanDerWaalsContact O-CB 3.31Å; F32-V36 WeakPolarHBondContact O-CB 3.41Å; F32-V36 PolarHBondContact O-N 3.49Å; V36-A39 WeakPolarHBondContact O-CB 3.35Å; V36-A39 PolarHBondContact O-N 2.94Å; V36-V43 HydrophobicContact CG1-CG1 4.03Å; V36-V43 HydrophobicContact CG1-CG2 3.99Å; V36-V43 VanDerWaalsContact O-CG2 3.27Å; V36-V43 WeakPolarHBondContact O-CG2 3.47Å; V36-T48 HydrophobicContact CG2-CG2 4.17Å; V36-I50 HydrophobicContact CG2-CD1 4.31Å
37I90.2Very high86.1Confident24 Ų2481.6 Ų81.612%0.12341%0.406CS..Iπ-helixtrans-70.6-42.5-175.3-57.7179.4000111.2Y8 G12 F32 R33 W64Y8-I37 HydrophobicContact CD1-CD1 4.06Å; Y8-I37 HydrophobicContact CD2-CD1 4.31Å; Y8-I37 HydrophobicContact CG-CD1 3.8Å; G12-I37 VanDerWaalsContact CA-CD1 3.47Å; F32-I37 HydrophobicContact CD1-CD1 3.96Å; F32-I37 HydrophobicContact CD1-CG1 4.14Å; F32-I37 HydrophobicContact CE1-CD1 3.81Å; F32-I37 HydrophobicContact CE1-CG1 3.84Å; F32-I37 PolarHBondContact O-N 2.8Å; R33-I37 WeakPolarHBondContact O-CB 3.48Å; R33-I37 PolarHBondContact O-N 3.28Å; I37-W64 HydrophobicContact CD1-CG 4.46Å
38H89.3Confident86.5Confident109 Ų10976.9 Ų76.951%0.50538%0.382SS..THydrogen-bonded Turntrans-96.317.7177.9-64.3162.9000113.9K11 R33 R40K11-H38 PolarHBondContact O-CE1 3.3Å; K11-H38 PolarHBondContact O-NE2 2.68Å; K11-H38 VanDerWaalsContact O-NE2 3.13Å; R33-H38 PolarHBondContact O-N 3.12Å; H38-R40 PolarHBondContact O-N 3.03Å
39A86.5Confident87Confident39 Ų3981.1 Ų81.132%0.32240%0.403SS..  trans-57.8125.5175.800000110.4N35 V36 Q41N35-A39 WeakPolarHBondContact O-CB 3.47Å; V36-A39 WeakPolarHBondContact O-CB 3.35Å; V36-A39 PolarHBondContact O-N 2.94Å; A39-Q41 CarbonylContact C-O 3.59Å; A39-Q41 VanDerWaalsContact CB-O 3.32Å; A39-Q41 WeakPolarHBondContact CB-O 3.49Å; A39-Q41 PolarHBondContact O-N 3.43Å
40R78Confident87.4Confident260 Ų26081.6 Ų81.698%0.98141%0.405SS*.SBendtrans-63.4-30.3175-68.6-175.1-179.8-1760.5112.1H38H38-R40 PolarHBondContact O-N 3.03Å
41Q79.2Confident87.4Confident122 Ų12282.8 Ų82.857%0.5742%0.424SS*.SBendtrans-92.1148.4173-63.9-170.91.100109.7A39 V43A39-Q41 CarbonylContact C-O 3.59Å; A39-Q41 VanDerWaalsContact CB-O 3.32Å; A39-Q41 WeakPolarHBondContact CB-O 3.49Å; A39-Q41 PolarHBondContact O-N 3.43Å; Q41-V43 PolarHBondContact O-N 3.3Å
42Q75.8Confident87.4Confident182 Ų18292.4 Ų92.485%0.8546%0.455SS*.  trans-55.5135174.1-67.8-173-9.300110.4R44Q42-R44 VanDerWaalsContact O-CG 3.28Å; Q42-R44 WeakPolarHBondContact O-CG 3.39Å; Q42-R44 PolarHBondContact O-N 2.97Å; Q42-R44 VanDerWaalsContact O-N 3.08Å
43V73.4Confident87.6Confident61 Ų6193 Ų9337%0.3746%0.459SS..  trans-57.1114.6177.2-179.60000108.8V36 Q41 H57 W64V36-V43 HydrophobicContact CG1-CG1 4.03Å; V36-V43 HydrophobicContact CG1-CG2 3.99Å; V36-V43 VanDerWaalsContact O-CG2 3.27Å; V36-V43 WeakPolarHBondContact O-CG2 3.47Å; Q41-V43 PolarHBondContact O-N 3.3Å; V43-H57 WeakPolarHBondContact CG1-NE2 3.39Å; V43-W64 HydrophobicContact CG2-CH2 4.12Å
44R72.9Confident87.9Confident211 Ų21189.7 Ų89.780%0.79645%0.45SS*.  trans-88.1-25-170.7-59.1-172.8-175.3-165.40.1113.6Q42Q42-R44 VanDerWaalsContact O-CG 3.28Å; Q42-R44 WeakPolarHBondContact O-CG 3.39Å; Q42-R44 PolarHBondContact O-N 2.97Å; Q42-R44 VanDerWaalsContact O-N 3.08Å
45S91.3Very high88.1Confident52 Ų5285.8 Ų85.836%0.36443%0.427SS..  trans-142.6136.8-169.8176.50000111.4V47 H57S45-V47 WeakPolarHBondContact CB-O 3.3Å; S45-V47 PolarHBondContact O-N 3.29Å; S45-V47 PolarHBondContact OG-N 3.39Å; S45-V47 VanDerWaalsContact OG-N 3.14Å; S45-V47 PolarHBondContact OG-O 2.86Å; S45-H57 PolarHBondContact O-CE1 2.85Å; S45-H57 PolarHBondContact O-NE2 3.23Å
46P94.2Very high88.5Confident72 Ų7282.1 Ų82.147%0.46841%0.407SS..SBendtrans-71.6-8.8173.132.8-36.6000112.9H57 F79P46-H57 PolarHBondContact O-N 3.43Å; P46-H57 PolarHBondContact O-ND1 3.29Å; P46-F79 HydrophobicContact CB-CE1 3.98Å; P46-F79 HydrophobicContact CB-CZ 3.77Å; P46-F79 HydrophobicContact CG-CZ 4.15Å
47V95.9Very high88.8Confident50 Ų5082.2 Ų82.230%0.30341%0.407SS..EExtended strand (participates in β ladder)trans-118.7120.8171-172.40000108.7S45 F55 F56 F79S45-V47 WeakPolarHBondContact CB-O 3.3Å; S45-V47 PolarHBondContact O-N 3.29Å; S45-V47 PolarHBondContact OG-N 3.39Å; S45-V47 VanDerWaalsContact OG-N 3.14Å; S45-V47 PolarHBondContact OG-O 2.86Å; V47-F55 WeakPolarHBondContact CA-O 3.44Å; V47-F56 HydrophobicContact CB-CD1 4.46Å; V47-F56 HydrophobicContact CG1-CD1 4.09Å; V47-F56 HydrophobicContact CG1-CE1 3.82Å; V47-F56 HydrophobicContact CG1-CZ 4.31Å; V47-F56 HydrophobicContact CG2-CD1 3.63Å; V47-F56 HydrophobicContact CG2-CE1 3.85Å; V47-F79 HydrophobicContact CG2-CE2 3.54Å; V47-F79 HydrophobicContact CG2-CZ 3.58Å
48T93.9Very high89Confident36 Ų3681.5 Ų81.522%0.22140%0.403CS..EExtended strand (participates in β ladder)trans-122134.4177.5-53.90000109.4V36 I50 F55V36-T48 HydrophobicContact CG2-CG2 4.17Å; T48-I50 HydrophobicContact CG2-CD1 4.17Å; T48-I50 HydrophobicContact CG2-CG1 3.79Å; T48-F55 PolarHBondContact N-O 3.2Å; T48-F55 PolarHBondContact O-N 2.93Å
49N93.5Very high89.2Confident101 Ų10181.3 Ų81.354%0.5440%0.401SS..EExtended strand (participates in β ladder)trans-104.9122.2171.7-167.9-85000109.3R52 T53 S54N49-R52 WeakPolarHBondContact OD1-CA 3.44Å; N49-R52 PolarHBondContact OD1-N 2.86Å; N49-T53 WeakPolarHBondContact CA-O 3.41Å; N49-S54 PolarHBondContact ND2-OG 2.88Å
50I91.4Very high89.3Confident31 Ų3183.9 Ų83.916%0.15940%0.403CS..EExtended strand (participates in β ladder)trans-128.4120178.9-47.9170.3000107.1A31 N35 V36 T48 R52 T53 F55A31-I50 HydrophobicContact CB-CG2 4.45Å; N35-I50 HydrophobicContact CB-CD1 3.69Å; V36-I50 HydrophobicContact CG2-CD1 4.31Å; T48-I50 HydrophobicContact CG2-CD1 4.17Å; T48-I50 HydrophobicContact CG2-CG1 3.79Å; I50-R52 VanDerWaalsContact C-N 3.29Å; I50-R52 PolarHBondContact O-N 2.7Å; I50-T53 PolarHBondContact N-O 2.93Å; I50-T53 WeakPolarHBondContact O-CA 3.47Å; I50-T53 WeakPolarHBondContact O-CB 3.31Å; I50-T53 PolarHBondContact O-N 3.07Å; I50-F55 HydrophobicContact CB-CD2 4.32Å; I50-F55 HydrophobicContact CB-CE2 3.89Å; I50-F55 HydrophobicContact CD1-CD2 3.95Å; I50-F55 HydrophobicContact CD1-CE2 3.91Å; I50-F55 HydrophobicContact CG1-CD2 4.06Å; I50-F55 HydrophobicContact CG1-CE2 4.07Å
51A89.1Confident89.8Confident94 Ų9475.6 Ų75.678%0.77739%0.385SS*.THydrogen-bonded Turntrans48.149179.800000113T53A51-T53 PolarHBondContact O-N 3.19Å; A51-T53 VanDerWaalsContact O-N 3.16Å
52R90.5Very high90.3Very high224 Ų22474.7 Ų74.785%0.84538%0.384SS*.THydrogen-bonded Turntrans62.614.2-177.4-53.4-177.6177.6-173-0.9115.2N49 I50N49-R52 WeakPolarHBondContact OD1-CA 3.44Å; N49-R52 PolarHBondContact OD1-N 2.86Å; I50-R52 VanDerWaalsContact C-N 3.29Å; I50-R52 PolarHBondContact O-N 2.7Å
53T94.2Very high91.2Very high13 Ų1366.2 Ų66.28%0.0834%0.344CS..EExtended strand (participates in β ladder)trans-107.1127.1173-53.10000109N49 I50 A51 F55 V68 K70N49-T53 WeakPolarHBondContact CA-O 3.41Å; I50-T53 PolarHBondContact N-O 2.93Å; I50-T53 WeakPolarHBondContact O-CA 3.47Å; I50-T53 WeakPolarHBondContact O-CB 3.31Å; I50-T53 PolarHBondContact O-N 3.07Å; A51-T53 PolarHBondContact O-N 3.19Å; A51-T53 VanDerWaalsContact O-N 3.16Å; T53-F55 HydrophobicContact CG2-CD2 4.43Å; T53-F55 HydrophobicContact CG2-CE2 3.71Å; T53-F55 HydrophobicContact CG2-CZ 3.82Å; T53-F55 WeakPolarHBondContact O-CD2 3.43Å; T53-F55 WeakPolarHBondContact O-CE2 3.33Å; T53-V68 HydrophobicContact CG2-CG1 3.44Å; T53-V68 VanDerWaalsContact CG2-CG1 3.44Å; T53-K70 HydrophobicContact CG2-CG 4.07Å; T53-K70 WeakPolarHBondContact OG1-CE 3.17Å
54S96.1Very high92.3Very high26 Ų2664.5 Ų64.518%0.18233%0.331CS..EExtended strand (participates in β ladder)trans-91.8130.4179.9-650000110.6N49 V68 T69N49-S54 PolarHBondContact ND2-OG 2.88Å; S54-V68 WeakPolarHBondContact O-CA 3.43Å; S54-T69 PolarHBondContact N-O 3.5Å; S54-T69 PolarHBondContact O-N 2.71Å
55F96.1Very high93.4Very high1 Ų154.5 Ų54.50%0.00429%0.293CS..EExtended strand (participates in β ladder)trans-117.3105.4179.1-64.8-94.6000109.4A28 A31 F32 V47 T48 I50 T53 V68A28-F55 HydrophobicContact CB-CE1 4.34Å; A28-F55 HydrophobicContact CB-CZ 4.19Å; A28-F55 VanDerWaalsContact O-CE1 3.24Å; A28-F55 WeakPolarHBondContact O-CE1 3.39Å; A28-F55 WeakPolarHBondContact O-CZ 3.42Å; A31-F55 HydrophobicContact CB-CZ 4.3Å; F32-F55 HydrophobicContact CB-CD1 3.81Å; F32-F55 HydrophobicContact CB-CE1 3.79Å; F32-F55 HydrophobicContact CD2-CB 3.91Å; F32-F55 AromaticContact CD2-CD1 3.59Å; F32-F55 HydrophobicContact CD2-CD1 3.59Å; F32-F55 HydrophobicContact CD2-CE1 4.42Å; F32-F55 AromaticContact CD2-CG 3.95Å; F32-F55 HydrophobicContact CD2-CG 3.95Å; F32-F55 HydrophobicContact CE2-CB 4.21Å; F32-F55 HydrophobicContact CG-CD1 4.04Å; V47-F55 WeakPolarHBondContact CA-O 3.44Å; T48-F55 PolarHBondContact N-O 3.2Å; T48-F55 PolarHBondContact O-N 2.93Å; I50-F55 HydrophobicContact CB-CD2 4.32Å; I50-F55 HydrophobicContact CB-CE2 3.89Å; I50-F55 HydrophobicContact CD1-CD2 3.95Å; I50-F55 HydrophobicContact CD1-CE2 3.91Å; I50-F55 HydrophobicContact CG1-CD2 4.06Å; I50-F55 HydrophobicContact CG1-CE2 4.07Å; T53-F55 HydrophobicContact CG2-CD2 4.43Å; T53-F55 HydrophobicContact CG2-CE2 3.71Å; T53-F55 HydrophobicContact CG2-CZ 3.82Å; T53-F55 WeakPolarHBondContact O-CD2 3.43Å; T53-F55 WeakPolarHBondContact O-CE2 3.33Å; F55-V68 HydrophobicContact CD1-CB 4.38Å; F55-V68 HydrophobicContact CD1-CG1 4.09Å; F55-V68 HydrophobicContact CD1-CG2 3.5Å; F55-V68 HydrophobicContact CE1-CB 4.35Å; F55-V68 HydrophobicContact CE1-CG1 3.73Å; F55-V68 HydrophobicContact CE1-CG2 3.62Å; F55-V68 HydrophobicContact CZ-CG1 4.08Å
56F97.5Very high93.6Very high11 Ų1152 Ų525%0.04828%0.276CS..EExtended strand (participates in β ladder)trans-91.3122.2171.9-57.2-91.7000107.7V47 A66 A67 T69 V73 A75 V78 F79 L82V47-F56 HydrophobicContact CB-CD1 4.46Å; V47-F56 HydrophobicContact CG1-CD1 4.09Å; V47-F56 HydrophobicContact CG1-CE1 3.82Å; V47-F56 HydrophobicContact CG1-CZ 4.31Å; V47-F56 HydrophobicContact CG2-CD1 3.63Å; V47-F56 HydrophobicContact CG2-CE1 3.85Å; F56-A66 CarbonylContact O-C 3.5Å; F56-A66 VanDerWaalsContact O-CA 3.29Å; F56-A66 WeakPolarHBondContact O-CA 3.35Å; F56-A67 HydrophobicContact CB-CB 4.35Å; F56-A67 PolarHBondContact N-O 3.5Å; F56-A67 PolarHBondContact O-N 3.41Å; F56-T69 HydrophobicContact CD2-CG2 4.34Å; F56-T69 HydrophobicContact CE2-CG2 3.65Å; F56-V73 HydrophobicContact CE2-CG2 3.93Å; F56-V73 HydrophobicContact CZ-CG2 3.97Å; F56-A75 HydrophobicContact CD1-CB 4.25Å; F56-A75 HydrophobicContact CE1-CB 3.49Å; F56-A75 VanDerWaalsContact CE1-CB 3.49Å; F56-A75 HydrophobicContact CZ-CB 4.31Å; F56-V78 HydrophobicContact CB-CG1 3.64Å; F56-V78 HydrophobicContact CD1-CB 4.37Å; F56-V78 HydrophobicContact CD1-CG1 4.32Å; F56-V78 HydrophobicContact CD2-CG1 3.98Å; F56-V78 HydrophobicContact CG-CB 4.22Å; F56-V78 HydrophobicContact CG-CG1 3.71Å; F56-F79 HydrophobicContact CB-CE1 4.41Å; F56-F79 HydrophobicContact CB-CZ 4.22Å; F56-F79 HydrophobicContact CD1-CD2 4.45Å; F56-F79 AromaticContact CD1-CE2 3.8Å; F56-F79 HydrophobicContact CD1-CE2 3.8Å; F56-F79 HydrophobicContact CD1-CZ 4.05Å; F56-L82 HydrophobicContact CB-CD1 4.4Å
57H95.6Very high93.8Very high7 Ų748.7 Ų48.73%0.03225%0.254CS..EExtended strand (participates in β ladder)trans-140.7145.5-175.963.4-86.8000113.4F32 V43 S45 P46 W64 L65 A66F32-H57 HydrophobicContact CE2-CB 3.78Å; F32-H57 AromaticContact CE2-CG 3.69Å; F32-H57 AromaticContact CE2-ND1 3.65Å; F32-H57 HydrophobicContact CZ-CB 3.56Å; F32-H57 AromaticContact CZ-CG 3.69Å; V43-H57 WeakPolarHBondContact CG1-NE2 3.39Å; S45-H57 PolarHBondContact O-CE1 2.85Å; S45-H57 PolarHBondContact O-NE2 3.23Å; P46-H57 PolarHBondContact O-N 3.43Å; P46-H57 PolarHBondContact O-ND1 3.29Å; H57-W64 AromaticContact CD2-CE3 3.88Å; H57-W64 AromaticContact CD2-CZ3 3.62Å; H57-L65 CarbonylContact C-O 3.56Å; H57-L65 WeakPolarHBondContact CA-O 3.29Å; H57-L65 WeakPolarHBondContact CB-O 3.37Å; H57-A66 HydrophobicContact CB-CB 4.17Å
58V95.4Very high93.8Very high9 Ų946.3 Ų46.36%0.05524%0.24CC..EExtended strand (participates in β ladder)trans-126.4148.5175.2-61.10000109.1W64 L65 F79 L82 Y83V58-W64 WeakPolarHBondContact O-CA 3.32Å; V58-L65 HydrophobicContact CG2-CB 3.86Å; V58-L65 HydrophobicContact CG2-CD1 4.31Å; V58-L65 PolarHBondContact N-O 2.78Å; V58-L65 PolarHBondContact O-N 2.92Å; V58-F79 HydrophobicContact CG1-CD1 3.76Å; V58-F79 HydrophobicContact CG1-CE1 3.97Å; V58-L82 HydrophobicContact CG1-CB 4.44Å; V58-L82 HydrophobicContact CG1-CD1 4.24Å; V58-L82 HydrophobicContact CG2-CB 4.15Å; V58-L82 HydrophobicContact CG2-CD1 4.42Å; V58-Y83 HydrophobicContact CB-CE1 4.28Å; V58-Y83 HydrophobicContact CG1-CD1 4.33Å; V58-Y83 HydrophobicContact CG1-CE1 3.64Å
59K92Very high94Very high106 Ų10644.7 Ų44.746%0.46123%0.23SC..EExtended strand (participates in β ladder)trans-112.8126.3175.9-165.2-179.3-174.1177.40109.8S61 I63 W64K59-S61 WeakPolarHBondContact CE-O 3.5Å; K59-I63 WeakPolarHBondContact CA-O 3.21Å; K59-W64 HydrophobicContact CB-CD2 4.32Å; K59-W64 HydrophobicContact CB-CE3 4.06Å; K59-W64 HydrophobicContact CB-CZ3 4.21Å; K59-W64 HydrophobicContact CD-CD2 4.24Å; K59-W64 HydrophobicContact CD-CE3 4.47Å; K59-W64 HydrophobicContact CD-CH2 3.91Å; K59-W64 HydrophobicContact CD-CZ2 3.63Å; K59-W64 HydrophobicContact CD-CZ3 4.32Å; K59-W64 HydrophobicContact CG-CD2 4.05Å; K59-W64 HydrophobicContact CG-CE3 4.27Å; K59-W64 HydrophobicContact CG-CZ2 4.35Å
60R89.9Confident94.1Very high93 Ų9345 Ų4535%0.35123%0.227SC..EExtended strand (participates in β ladder)trans-120.4105.3172.8-69.3-63.3-174.4-121.38108.3N62 I63 Y83R60-N62 PolarHBondContact O-N 3.26Å; R60-N62 VanDerWaalsContact O-N 3.12Å; R60-I63 PolarHBondContact N-O 3.41Å; R60-I63 PolarHBondContact O-N 3.32Å; R60-Y83 VanDerWaalsContact NH2-CE1 3.33Å
61S87.8Confident94.2Very high86 Ų8647.8 Ų47.860%0.60124%0.239SC*.THydrogen-bonded Turntrans55-113.5-170.1-52.40000111.2K59K59-S61 WeakPolarHBondContact CE-O 3.5Å
62N89.9Confident94.5Very high103 Ų10351.5 Ų51.555%0.55125%0.246SC*.THydrogen-bonded Turntrans-1027.2179.8-70.1-15000113.1N9 H10 R60N9-N62 CarbonylContact C-O 3.59Å; H10-N62 HydrophobicContact CB-CB 4.23Å; H10-N62 PolarHBondContact N-O 2.75Å; H10-N62 VanDerWaalsContact N-O 3.14Å; R60-N62 PolarHBondContact O-N 3.26Å; R60-N62 VanDerWaalsContact O-N 3.12Å
63I95.3Very high94.8Very high4 Ų441.7 Ų41.72%0.02121%0.21CC..EExtended strand (participates in β ladder)trans-104135.3179.5-57.2-57000109.5I7 Y8 L15 K59 R60 L65 I96 E98 I101I7-I63 HydrophobicContact CG2-CG2 3.35Å; Y8-I63 WeakPolarHBondContact O-CA 3.28Å; L15-I63 HydrophobicContact CD1-CD1 3.74Å; K59-I63 WeakPolarHBondContact CA-O 3.21Å; R60-I63 PolarHBondContact N-O 3.41Å; R60-I63 PolarHBondContact O-N 3.32Å; I63-L65 HydrophobicContact CG2-CD1 4.06Å; I63-I96 HydrophobicContact CG1-CG2 4.44Å; I63-I96 HydrophobicContact CG2-CG2 4.43Å; I63-E98 HydrophobicContact CD1-CB 4.11Å; I63-I101 HydrophobicContact CD1-CD1 4.1Å; I63-I101 HydrophobicContact CG1-CD1 4.11Å; I63-I101 HydrophobicContact CG2-CD1 3.84Å
64W95.4Very high94.9Very high25 Ų2546 Ų4610%0.09523%0.233CC..EExtended strand (participates in β ladder)trans-107.5131.5172.9-6286.3000109.2I7 Y8 I37 V43 H57 V58 K59I7-W64 CarbonylContact C-O 3.58Å; I7-W64 VanDerWaalsContact CA-O 3.29Å; I7-W64 WeakPolarHBondContact CA-O 3.38Å; Y8-W64 HydrophobicContact CD2-CB 4.48Å; Y8-W64 PolarHBondContact N-O 3Å; Y8-W64 PolarHBondContact O-N 3.35Å; I37-W64 HydrophobicContact CD1-CG 4.46Å; V43-W64 HydrophobicContact CG2-CH2 4.12Å; H57-W64 AromaticContact CD2-CE3 3.88Å; H57-W64 AromaticContact CD2-CZ3 3.62Å; V58-W64 WeakPolarHBondContact O-CA 3.32Å; K59-W64 HydrophobicContact CB-CD2 4.32Å; K59-W64 HydrophobicContact CB-CE3 4.06Å; K59-W64 HydrophobicContact CB-CZ3 4.21Å; K59-W64 HydrophobicContact CD-CD2 4.24Å; K59-W64 HydrophobicContact CD-CE3 4.47Å; K59-W64 HydrophobicContact CD-CH2 3.91Å; K59-W64 HydrophobicContact CD-CZ2 3.63Å; K59-W64 HydrophobicContact CD-CZ3 4.32Å; K59-W64 HydrophobicContact CG-CD2 4.05Å; K59-W64 HydrophobicContact CG-CE3 4.27Å; K59-W64 HydrophobicContact CG-CZ2 4.35Å
65L96.5Very high94.9Very high1 Ų146.5 Ų46.51%0.00524%0.239CC..EExtended strand (participates in β ladder)trans-110.3127168.5-6582.1000106.9I7 H57 V58 I63 L82 M85I7-L65 HydrophobicContact CG1-CG 4.26Å; I7-L65 HydrophobicContact CG2-CG 4.47Å; H57-L65 CarbonylContact C-O 3.56Å; H57-L65 WeakPolarHBondContact CA-O 3.29Å; H57-L65 WeakPolarHBondContact CB-O 3.37Å; V58-L65 HydrophobicContact CG2-CB 3.86Å; V58-L65 HydrophobicContact CG2-CD1 4.31Å; V58-L65 PolarHBondContact N-O 2.78Å; V58-L65 PolarHBondContact O-N 2.92Å; I63-L65 HydrophobicContact CG2-CD1 4.06Å; L65-L82 HydrophobicContact CB-CD2 4.21Å; L65-M85 HydrophobicContact CD2-CE 4.3Å; L65-M85 HydrophobicContact CD2-SD 4.13Å
66A96.3Very high95Very high0 Ų049.4 Ų49.40%026%0.263CS..EExtended strand (participates in β ladder)trans-125.6121.2179.400000110.4L5 F6 Y8 F32 F56 H57L5-A66 WeakPolarHBondContact CA-O 3.15Å; F6-A66 PolarHBondContact N-O 2.88Å; F6-A66 PolarHBondContact O-N 3.24Å; Y8-A66 HydrophobicContact CD2-CB 4.5Å; Y8-A66 HydrophobicContact CE2-CB 3.91Å; F32-A66 HydrophobicContact CD1-CB 4.15Å; F32-A66 HydrophobicContact CD2-CB 4.39Å; F32-A66 HydrophobicContact CE1-CB 3.86Å; F32-A66 HydrophobicContact CE2-CB 4.12Å; F32-A66 HydrophobicContact CG-CB 4.4Å; F32-A66 HydrophobicContact CZ-CB 3.85Å; F56-A66 CarbonylContact O-C 3.5Å; F56-A66 VanDerWaalsContact O-CA 3.29Å; F56-A66 WeakPolarHBondContact O-CA 3.35Å; H57-A66 HydrophobicContact CB-CB 4.17Å
67A97.5Very high94.9Very high1 Ų151.9 Ų51.91%0.00828%0.276CS..EExtended strand (participates in β ladder)trans-95.1133.116500000109.3I2 G4 F56 V78 L82I2-A67 HydrophobicContact CG2-CB 4.11Å; G4-A67 CarbonylContact O-C 3.59Å; G4-A67 WeakPolarHBondContact O-CA 3.49Å; F56-A67 HydrophobicContact CB-CB 4.35Å; F56-A67 PolarHBondContact N-O 3.5Å; F56-A67 PolarHBondContact O-N 3.41Å; A67-V78 HydrophobicContact CB-CG1 3.55Å; A67-L82 HydrophobicContact CB-CD1 4.21Å; A67-L82 HydrophobicContact CB-CD2 4.16Å; A67-L82 HydrophobicContact CB-CG 4.38Å
68V97.1Very high95Very high0 Ų051.5 Ų51.50%027%0.274CS..EExtended strand (participates in β ladder)trans-122.3136.8-172.5-173.40000109.3G3 G4 F6 I24 A28 T53 S54 F55G3-V68 WeakPolarHBondContact CA-O 3.49Å; G3-V68 PolarHBondContact N-O 3.14Å; G4-V68 PolarHBondContact N-O 2.94Å; G4-V68 PolarHBondContact O-N 3.09Å; F6-V68 HydrophobicContact CD2-CB 4.48Å; F6-V68 HydrophobicContact CD2-CG2 3.59Å; F6-V68 HydrophobicContact CE2-CB 3.99Å; F6-V68 HydrophobicContact CE2-CG2 3.52Å; I24-V68 HydrophobicContact CD1-CG1 4.04Å; I24-V68 HydrophobicContact CG2-CG1 4.37Å; A28-V68 HydrophobicContact CB-CG1 4.21Å; T53-V68 HydrophobicContact CG2-CG1 3.44Å; T53-V68 VanDerWaalsContact CG2-CG1 3.44Å; S54-V68 WeakPolarHBondContact O-CA 3.43Å; F55-V68 HydrophobicContact CD1-CB 4.38Å; F55-V68 HydrophobicContact CD1-CG1 4.09Å; F55-V68 HydrophobicContact CD1-CG2 3.5Å; F55-V68 HydrophobicContact CE1-CB 4.35Å; F55-V68 HydrophobicContact CE1-CG1 3.73Å; F55-V68 HydrophobicContact CE1-CG2 3.62Å; F55-V68 HydrophobicContact CZ-CG1 4.08Å
69T96.5Very high95.1Very high2 Ų252.5 Ų52.51%0.01228%0.278CS..EExtended strand (participates in β ladder)trans-156.9147.7175.6-174.80000110.6M1 S54 F56 Q71 V73M1-T69 PolarHBondContact O-OG1 3.2Å; S54-T69 PolarHBondContact N-O 3.5Å; S54-T69 PolarHBondContact O-N 2.71Å; F56-T69 HydrophobicContact CD2-CG2 4.34Å; F56-T69 HydrophobicContact CE2-CG2 3.65Å; T69-Q71 PolarHBondContact OG1-N 3.1Å; T69-Q71 VanDerWaalsContact OG1-N 3.1Å; T69-V73 HydrophobicContact CG2-CG1 4.29Å; T69-V73 HydrophobicContact CG2-CG2 3.72Å
70K95.6Very high95.3Very high108 Ų10853 Ų5347%0.4728%0.281SS..SBendtrans-96.5-3.3168.8-67.8175.7174.51720112.5D23 I24 T53D23-K70 HydrophobicContact CB-CD 4.38Å; D23-K70 VanDerWaalsContact O-CE 3.3Å; D23-K70 WeakPolarHBondContact O-CE 3.35Å; D23-K70 PolarHBondContact O-NZ 3.45Å; I24-K70 HydrophobicContact CD1-CD 4.5Å; I24-K70 HydrophobicContact CD1-CG 4.2Å; T53-K70 HydrophobicContact CG2-CG 4.07Å; T53-K70 WeakPolarHBondContact OG1-CE 3.17Å
71Q94.9Very high95.6Very high89 Ų8949 Ų4942%0.41627%0.267SS..SBendtrans-92.4156.7-178.1-60.8-170.8-1800111.4T69 V73T69-Q71 PolarHBondContact OG1-N 3.1Å; T69-Q71 VanDerWaalsContact OG1-N 3.1Å; Q71-V73 HydrophobicContact CB-CG1 4.13Å; Q71-V73 PolarHBondContact O-N 2.85Å; Q71-V73 VanDerWaalsContact O-N 3.11Å
72N95.1Very high96Very high172 Ų17245 Ų4592%0.9224%0.238SC*.  trans-79.389.9171.4-172.711.6000109.7
73V96.1Very high96.3Very high18 Ų1844 Ų4411%0.10923%0.227CC..  trans-102.3158.3-179.1-59.20000111.6M1 F56 T69 Q71 A75 V78M1-V73 VanDerWaalsContact N-CG1 3.28Å; F56-V73 HydrophobicContact CE2-CG2 3.93Å; F56-V73 HydrophobicContact CZ-CG2 3.97Å; T69-V73 HydrophobicContact CG2-CG1 4.29Å; T69-V73 HydrophobicContact CG2-CG2 3.72Å; Q71-V73 HydrophobicContact CB-CG1 4.13Å; Q71-V73 PolarHBondContact O-N 2.85Å; Q71-V73 VanDerWaalsContact O-N 3.11Å; V73-A75 PolarHBondContact O-N 2.93Å; V73-V78 HydrophobicContact CG2-CG2 3.73Å
74N97Very high96.3Very high103 Ų10348.6 Ų48.655%0.55125%0.247SC*.  trans-65.5107.7169.6-174.9-32.7000110A76 M77 V78N74-A76 VanDerWaalsContact C-N 3.28Å; N74-A76 PolarHBondContact O-N 3.42Å; N74-A76 WeakPolarHBondContact OD1-CB 3.24Å; N74-A76 PolarHBondContact OD1-N 3.49Å; N74-M77 HydrophobicContact CB-CB 4.1Å; N74-M77 WeakPolarHBondContact O-CB 3.38Å; N74-M77 PolarHBondContact O-N 3.34Å; N74-M77 PolarHBondContact OD1-N 2.88Å; N74-V78 PolarHBondContact O-N 3.06Å
75A96.6Very high96.3Very high38 Ų3847.5 Ų47.531%0.31424%0.244SC..Hα-helixtrans-56.9-39.7-179.900000113F56 V73 M77 V78 F79F56-A75 HydrophobicContact CD1-CB 4.25Å; F56-A75 HydrophobicContact CE1-CB 3.49Å; F56-A75 VanDerWaalsContact CE1-CB 3.49Å; F56-A75 HydrophobicContact CZ-CB 4.31Å; V73-A75 PolarHBondContact O-N 2.93Å; A75-M77 PolarHBondContact O-N 3.22Å; A75-V78 PolarHBondContact O-N 3.21Å; A75-F79 WeakPolarHBondContact O-CD2 3.37Å; A75-F79 PolarHBondContact O-N 2.97Å
76A96.4Very high96.2Very high62 Ų6247.6 Ų47.651%0.51224%0.244SC..Hα-helixtrans-64.5-42-178.500000111.3N74 V78 F79 E80N74-A76 VanDerWaalsContact C-N 3.28Å; N74-A76 PolarHBondContact O-N 3.42Å; N74-A76 WeakPolarHBondContact OD1-CB 3.24Å; N74-A76 PolarHBondContact OD1-N 3.49Å; A76-V78 VanDerWaalsContact C-N 3.3Å; A76-V78 PolarHBondContact O-N 3.39Å; A76-F79 PolarHBondContact O-N 2.95Å; A76-E80 PolarHBondContact O-N 2.86Å
77M96.1Very high96.1Very high62 Ų6251.9 Ų51.931%0.30527%0.267SS..Hα-helixtrans-59.2-41.3174.3178.2-164.472.800111.8M1 N74 A75 E80 F81M1-M77 HydrophobicContact CE-CE 3.54Å; M1-M77 HydrophobicContact CE-SD 3.92Å; M1-M77 HydrophobicContact SD-CE 4Å; N74-M77 HydrophobicContact CB-CB 4.1Å; N74-M77 WeakPolarHBondContact O-CB 3.38Å; N74-M77 PolarHBondContact O-N 3.34Å; N74-M77 PolarHBondContact OD1-N 2.88Å; A75-M77 PolarHBondContact O-N 3.22Å; M77-E80 PolarHBondContact O-N 3.2Å; M77-F81 WeakPolarHBondContact O-CB 3.19Å; M77-F81 PolarHBondContact O-N 3.42Å
78V97.7Very high95.9Very high0 Ų052 Ų520%027%0.268CS..Hα-helixtrans-63.9-42.8177.7-179.90000111.2I2 F56 A67 V73 N74 A75 A76 F81 L82I2-V78 HydrophobicContact CD1-CG1 4.15Å; I2-V78 HydrophobicContact CD1-CG2 4.2Å; I2-V78 HydrophobicContact CG1-CG1 4.44Å; I2-V78 HydrophobicContact CG1-CG2 4.02Å; F56-V78 HydrophobicContact CB-CG1 3.64Å; F56-V78 HydrophobicContact CD1-CB 4.37Å; F56-V78 HydrophobicContact CD1-CG1 4.32Å; F56-V78 HydrophobicContact CD2-CG1 3.98Å; F56-V78 HydrophobicContact CG-CB 4.22Å; F56-V78 HydrophobicContact CG-CG1 3.71Å; A67-V78 HydrophobicContact CB-CG1 3.55Å; V73-V78 HydrophobicContact CG2-CG2 3.73Å; N74-V78 PolarHBondContact O-N 3.06Å; A75-V78 PolarHBondContact O-N 3.21Å; A76-V78 VanDerWaalsContact C-N 3.3Å; A76-V78 PolarHBondContact O-N 3.39Å; V78-F81 PolarHBondContact O-N 3.15Å; V78-L82 HydrophobicContact CG1-CD1 4.28Å; V78-L82 WeakPolarHBondContact O-CG 3.47Å; V78-L82 PolarHBondContact O-N 3.35Å
79F97.7Very high95.7Very high30 Ų3052.2 Ų52.213%0.13227%0.269CS..Hα-helixtrans-68.7-42177.5-76.2-65.3000113P46 V47 F56 V58 A75 A76 F81 L82 Y83P46-F79 HydrophobicContact CB-CE1 3.98Å; P46-F79 HydrophobicContact CB-CZ 3.77Å; P46-F79 HydrophobicContact CG-CZ 4.15Å; V47-F79 HydrophobicContact CG2-CE2 3.54Å; V47-F79 HydrophobicContact CG2-CZ 3.58Å; F56-F79 HydrophobicContact CB-CE1 4.41Å; F56-F79 HydrophobicContact CB-CZ 4.22Å; F56-F79 HydrophobicContact CD1-CD2 4.45Å; F56-F79 AromaticContact CD1-CE2 3.8Å; F56-F79 HydrophobicContact CD1-CE2 3.8Å; F56-F79 HydrophobicContact CD1-CZ 4.05Å; V58-F79 HydrophobicContact CG1-CD1 3.76Å; V58-F79 HydrophobicContact CG1-CE1 3.97Å; A75-F79 WeakPolarHBondContact O-CD2 3.37Å; A75-F79 PolarHBondContact O-N 2.97Å; A76-F79 PolarHBondContact O-N 2.95Å; F79-F81 VanDerWaalsContact C-N 3.29Å; F79-F81 PolarHBondContact O-N 2.97Å; F79-L82 HydrophobicContact CD1-CD1 4.33Å; F79-L82 PolarHBondContact O-N 2.91Å; F79-Y83 HydrophobicContact CB-CE2 4.08Å; F79-Y83 WeakPolarHBondContact O-CD2 3.08Å; F79-Y83 VanDerWaalsContact O-CG 3.29Å; F79-Y83 PolarHBondContact O-N 2.67Å
80E95.2Very high95.6Very high115 Ų11554.1 Ų54.154%0.53729%0.285SS..Hα-helixtrans-56.4-46.4173.3-79-58.7136.300110.8A76 M77 L82 Y83 K84A76-E80 PolarHBondContact O-N 2.86Å; M77-E80 PolarHBondContact O-N 3.2Å; E80-L82 PolarHBondContact O-N 2.98Å; E80-Y83 PolarHBondContact O-N 3.42Å; E80-K84 WeakPolarHBondContact O-CB 3.5Å; E80-K84 WeakPolarHBondContact O-CG 3.47Å; E80-K84 PolarHBondContact O-N 2.99Å
81F96.8Very high95.3Very high11 Ų1151 Ų515%0.04828%0.279CS..Hα-helixtrans-59.5-47.6174.6172.6-99.1000112.6I2 L5 M77 V78 F79 Y83 K84 M85 I115 L116 P121I2-F81 HydrophobicContact CD1-CD1 3.91Å; I2-F81 HydrophobicContact CD1-CE1 4.38Å; I2-F81 HydrophobicContact CD1-CG 4.49Å; L5-F81 HydrophobicContact CD1-CD1 4.44Å; L5-F81 HydrophobicContact CD1-CE1 3.57Å; L5-F81 HydrophobicContact CD1-CZ 4.42Å; M77-F81 WeakPolarHBondContact O-CB 3.19Å; M77-F81 PolarHBondContact O-N 3.42Å; V78-F81 PolarHBondContact O-N 3.15Å; F79-F81 VanDerWaalsContact C-N 3.29Å; F79-F81 PolarHBondContact O-N 2.97Å; F81-Y83 VanDerWaalsContact C-N 3.28Å; F81-Y83 PolarHBondContact O-N 3.49Å; F81-K84 PolarHBondContact O-N 2.79Å; F81-M85 HydrophobicContact CE1-SD 4.44Å; F81-M85 WeakPolarHBondContact O-CB 3.4Å; F81-M85 PolarHBondContact O-N 3.44Å; F81-I115 HydrophobicContact CE2-CB 4.48Å; F81-I115 HydrophobicContact CE2-CD1 4.19Å; F81-I115 HydrophobicContact CE2-CG1 3.88Å; F81-I115 HydrophobicContact CZ-CD1 4.28Å; F81-I115 HydrophobicContact CZ-CG1 4.1Å; F81-L116 HydrophobicContact CE1-CD1 4.45Å; F81-L116 HydrophobicContact CE1-CD2 3.7Å; F81-L116 HydrophobicContact CE2-CB 4Å; F81-L116 HydrophobicContact CE2-CD1 4.15Å; F81-L116 HydrophobicContact CE2-CD2 4.45Å; F81-L116 HydrophobicContact CE2-CG 4.44Å; F81-L116 HydrophobicContact CZ-CB 3.73Å; F81-L116 HydrophobicContact CZ-CD1 4.09Å; F81-L116 HydrophobicContact CZ-CD2 3.61Å; F81-L116 HydrophobicContact CZ-CG 4.02Å; F81-P121 HydrophobicContact CB-CG 4.32Å; F81-P121 HydrophobicContact CD2-CB 3.86Å; F81-P121 HydrophobicContact CD2-CG 4.13Å; F81-P121 HydrophobicContact CE2-CB 4.49Å; F81-P121 HydrophobicContact CG-CB 4.47Å; F81-P121 HydrophobicContact CG-CG 4.28Å
82L97.3Very high95.1Very high0 Ų047.9 Ų47.90%026%0.264CS..Hα-helixtrans-60.7-37.6178.2-73.9174.2000112.4L5 F56 V58 L65 A67 V78 F79 E80 C86L5-L82 HydrophobicContact CD1-CD2 3.89Å; F56-L82 HydrophobicContact CB-CD1 4.4Å; V58-L82 HydrophobicContact CG1-CB 4.44Å; V58-L82 HydrophobicContact CG1-CD1 4.24Å; V58-L82 HydrophobicContact CG2-CB 4.15Å; V58-L82 HydrophobicContact CG2-CD1 4.42Å; L65-L82 HydrophobicContact CB-CD2 4.21Å; A67-L82 HydrophobicContact CB-CD1 4.21Å; A67-L82 HydrophobicContact CB-CD2 4.16Å; A67-L82 HydrophobicContact CB-CG 4.38Å; V78-L82 HydrophobicContact CG1-CD1 4.28Å; V78-L82 WeakPolarHBondContact O-CG 3.47Å; V78-L82 PolarHBondContact O-N 3.35Å; F79-L82 HydrophobicContact CD1-CD1 4.33Å; F79-L82 PolarHBondContact O-N 2.91Å; E80-L82 PolarHBondContact O-N 2.98Å; L82-C86 PolarHBondContact O-N 3.2Å; L82-C86 PolarHBondContact O-SG 3.34Å
83Y95.8Very high94.9Very high82 Ų8241 Ų4132%0.32223%0.226SC..Hα-helixtrans-69.6-45.1175-64.4-40.3000111.7V58 R60 F79 E80 F81 M85 C86 D87V58-Y83 HydrophobicContact CB-CE1 4.28Å; V58-Y83 HydrophobicContact CG1-CD1 4.33Å; V58-Y83 HydrophobicContact CG1-CE1 3.64Å; R60-Y83 VanDerWaalsContact NH2-CE1 3.33Å; F79-Y83 HydrophobicContact CB-CE2 4.08Å; F79-Y83 WeakPolarHBondContact O-CD2 3.08Å; F79-Y83 VanDerWaalsContact O-CG 3.29Å; F79-Y83 PolarHBondContact O-N 2.67Å; E80-Y83 PolarHBondContact O-N 3.42Å; F81-Y83 VanDerWaalsContact C-N 3.28Å; F81-Y83 PolarHBondContact O-N 3.49Å; Y83-M85 VanDerWaalsContact C-N 3.34Å; Y83-M85 PolarHBondContact O-N 3.21Å; Y83-C86 WeakPolarHBondContact O-CB 3.41Å; Y83-C86 PolarHBondContact O-N 3.27Å; Y83-C86 VanDerWaalsContact O-N 3.14Å; Y83-D87 PolarHBondContact O-N 3.09Å
84K94.5Very high94.7Very high101 Ų10142 Ų4244%0.43924%0.239SC..Hα-helixtrans-60.9-41.2175.5-72.1-62.2-177.9-1740112.7E80 F81 C86 D87 V88E80-K84 WeakPolarHBondContact O-CB 3.5Å; E80-K84 WeakPolarHBondContact O-CG 3.47Å; E80-K84 PolarHBondContact O-N 2.99Å; F81-K84 PolarHBondContact O-N 2.79Å; K84-C86 VanDerWaalsContact C-N 3.33Å; K84-C86 PolarHBondContact O-N 2.93Å; K84-D87 PolarHBondContact O-N 3.24Å; K84-D87 VanDerWaalsContact O-N 3.13Å; K84-V88 VanDerWaalsContact O-CG2 3.31Å; K84-V88 WeakPolarHBondContact O-CG2 3.45Å; K84-V88 PolarHBondContact O-N 3.04Å
85M95.3Very high94.5Very high3 Ų344.3 Ų44.32%0.01525%0.245CC..Hα-helixtrans-58.6-44.4173.6-180-176.317100111.6L5 I7 L65 F81 Y83 D87 V88 M89 L112 I115L5-M85 HydrophobicContact CD1-SD 3.69Å; L5-M85 HydrophobicContact CD2-CE 3.65Å; L5-M85 HydrophobicContact CD2-SD 3.84Å; L5-M85 HydrophobicContact CG-SD 4.43Å; I7-M85 HydrophobicContact CD1-CE 3.75Å; I7-M85 HydrophobicContact CG1-CE 4.48Å; L65-M85 HydrophobicContact CD2-CE 4.3Å; L65-M85 HydrophobicContact CD2-SD 4.13Å; F81-M85 HydrophobicContact CE1-SD 4.44Å; F81-M85 WeakPolarHBondContact O-CB 3.4Å; F81-M85 PolarHBondContact O-N 3.44Å; Y83-M85 VanDerWaalsContact C-N 3.34Å; Y83-M85 PolarHBondContact O-N 3.21Å; M85-D87 VanDerWaalsContact C-N 3.34Å; M85-D87 PolarHBondContact O-N 2.88Å; M85-V88 PolarHBondContact O-N 3.25Å; M85-M89 HydrophobicContact CE-CE 3.22Å; M85-M89 HydrophobicContact CE-SD 4.11Å; M85-M89 HydrophobicContact CG-CE 4.37Å; M85-M89 HydrophobicContact CG-SD 4.44Å; M85-M89 WeakPolarHBondContact O-CB 3.18Å; M85-M89 VanDerWaalsContact O-CG 3.31Å; M85-M89 WeakPolarHBondContact O-CG 3.32Å; M85-M89 PolarHBondContact O-N 2.97Å; M85-L112 HydrophobicContact CE-CD1 4.33Å; M85-L112 HydrophobicContact CE-CD2 3.41Å; M85-L112 VanDerWaalsContact CE-CD2 3.41Å; M85-L112 HydrophobicContact CE-CG 4.1Å; M85-L112 HydrophobicContact SD-CD2 3.77Å; M85-I115 HydrophobicContact CB-CD1 4.41Å; M85-I115 HydrophobicContact CG-CD1 4.26Å
86C95.3Very high94.4Very high2 Ų243.5 Ų43.51%0.01424%0.235CC..Hα-helixtrans-61.1-43.2174.2-67.30000111.6L82 Y83 K84 M89 A90 I96L82-C86 PolarHBondContact O-N 3.2Å; L82-C86 PolarHBondContact O-SG 3.34Å; Y83-C86 WeakPolarHBondContact O-CB 3.41Å; Y83-C86 PolarHBondContact O-N 3.27Å; Y83-C86 VanDerWaalsContact O-N 3.14Å; K84-C86 VanDerWaalsContact C-N 3.33Å; K84-C86 PolarHBondContact O-N 2.93Å; C86-M89 PolarHBondContact O-N 3.07Å; C86-A90 WeakPolarHBondContact O-CB 3.46Å; C86-A90 PolarHBondContact O-N 3.3Å; C86-I96 HydrophobicContact CB-CD1 3.76Å; C86-I96 WeakPolarHBondContact O-CD1 3.24Å
87D93.3Very high94.3Very high91 Ų9141.9 Ų41.949%0.48722%0.22SC..Hα-helixtrans-66-41.3-179.6-66.6-16.8000111.6Y83 K84 M85 A90 A91Y83-D87 PolarHBondContact O-N 3.09Å; K84-D87 PolarHBondContact O-N 3.24Å; K84-D87 VanDerWaalsContact O-N 3.13Å; M85-D87 VanDerWaalsContact C-N 3.34Å; M85-D87 PolarHBondContact O-N 2.88Å; D87-A90 PolarHBondContact O-N 3.2Å; D87-A91 WeakPolarHBondContact O-CB 3.2Å; D87-A91 PolarHBondContact O-N 3.44Å
88V93.3Very high94.3Very high3 Ų341.4 Ų41.42%0.01822%0.217CC..Hα-helixtrans-61.1-51.2174.3171.50000110.1K84 M85 A90 A91 Y92 L111 S124 L129K84-V88 VanDerWaalsContact O-CG2 3.31Å; K84-V88 WeakPolarHBondContact O-CG2 3.45Å; K84-V88 PolarHBondContact O-N 3.04Å; M85-V88 PolarHBondContact O-N 3.25Å; V88-A90 VanDerWaalsContact C-N 3.28Å; V88-A90 PolarHBondContact O-N 3.13Å; V88-A91 WeakPolarHBondContact O-CB 3.46Å; V88-A91 PolarHBondContact O-N 3.49Å; V88-Y92 HydrophobicContact CG1-CD2 3.93Å; V88-Y92 HydrophobicContact CG1-CE2 3.98Å; V88-Y92 WeakPolarHBondContact O-CD2 3.41Å; V88-Y92 PolarHBondContact O-N 3.45Å; V88-L111 HydrophobicContact CG1-CD1 4.3Å; V88-L111 HydrophobicContact CG1-CD2 4.06Å; V88-S124 WeakPolarHBondContact CG2-O 3.46Å; V88-L129 HydrophobicContact CG1-CD1 3.95Å; V88-L129 HydrophobicContact CG2-CD1 4.31Å
89M93.9Very high94.1Very high4 Ų447.6 Ų47.62%0.0225%0.246CC..Hα-helixtrans-53.3-47.3175.1-79.7-179.5166.100112I7 M85 C86 A91 Y92 F93 I96 I108I7-M89 HydrophobicContact CD1-CE 3.77Å; M85-M89 HydrophobicContact CE-CE 3.22Å; M85-M89 HydrophobicContact CE-SD 4.11Å; M85-M89 HydrophobicContact CG-CE 4.37Å; M85-M89 HydrophobicContact CG-SD 4.44Å; M85-M89 WeakPolarHBondContact O-CB 3.18Å; M85-M89 VanDerWaalsContact O-CG 3.31Å; M85-M89 WeakPolarHBondContact O-CG 3.32Å; M85-M89 PolarHBondContact O-N 2.97Å; C86-M89 PolarHBondContact O-N 3.07Å; M89-A91 VanDerWaalsContact C-N 3.28Å; M89-A91 PolarHBondContact O-N 3.34Å; M89-Y92 PolarHBondContact O-N 3.22Å; M89-Y92 VanDerWaalsContact O-N 3.16Å; M89-F93 HydrophobicContact CB-CE1 3.86Å; M89-F93 HydrophobicContact CB-CE2 4.12Å; M89-F93 HydrophobicContact CB-CZ 3.43Å; M89-F93 VanDerWaalsContact CB-CZ 3.43Å; M89-F93 HydrophobicContact CG-CE1 3.92Å; M89-F93 HydrophobicContact CG-CZ 3.63Å; M89-F93 WeakPolarHBondContact O-CD1 3.3Å; M89-F93 WeakPolarHBondContact O-CG 3.49Å; M89-F93 PolarHBondContact O-N 2.99Å; M89-F93 HydrophobicContact SD-CZ 4.17Å; M89-I96 HydrophobicContact CB-CD1 4.18Å; M89-I96 HydrophobicContact CB-CG1 4.28Å; M89-I108 HydrophobicContact CE-CB 4.32Å; M89-I108 HydrophobicContact CE-CD1 4.12Å; M89-I108 HydrophobicContact CE-CG1 3.94Å; M89-I108 HydrophobicContact CE-CG2 3.49Å; M89-I108 VanDerWaalsContact CE-CG2 3.49Å
90A93Very high94Very high42 Ų4248 Ų4835%0.34725%0.249SC..Hα-helixtrans-66.4-32.3179.900000112.9C86 D87 V88 Y92 G94C86-A90 WeakPolarHBondContact O-CB 3.46Å; C86-A90 PolarHBondContact O-N 3.3Å; D87-A90 PolarHBondContact O-N 3.2Å; V88-A90 VanDerWaalsContact C-N 3.28Å; V88-A90 PolarHBondContact O-N 3.13Å; A90-Y92 VanDerWaalsContact C-N 3.35Å; A90-G94 WeakPolarHBondContact CA-O 3.44Å; A90-G94 WeakPolarHBondContact CB-O 3.16Å; A90-G94 WeakPolarHBondContact O-CA 3.44Å; A90-G94 PolarHBondContact O-N 2.94Å
91A90.1Very high93.9Very high44 Ų4442.5 Ų42.536%0.36422%0.224SC..Hα-helixtrans-72.4-26.6174.800000113.2D87 V88 M89 T126 K130D87-A91 WeakPolarHBondContact O-CB 3.2Å; D87-A91 PolarHBondContact O-N 3.44Å; V88-A91 WeakPolarHBondContact O-CB 3.46Å; V88-A91 PolarHBondContact O-N 3.49Å; M89-A91 VanDerWaalsContact C-N 3.28Å; M89-A91 PolarHBondContact O-N 3.34Å; A91-T126 HydrophobicContact CB-CG2 3.62Å; A91-K130 WeakPolarHBondContact O-CE 3.33Å; A91-K130 PolarHBondContact O-NZ 2.83Å
92Y90.9Very high93.8Very high22 Ų2247.4 Ų47.49%0.08625%0.245CC..Hα-helixtrans-82.8-48.2176.8-91.2-90.8000113.4V88 M89 A90 L107 L111 T126 L129 K130 I133 Q135V88-Y92 HydrophobicContact CG1-CD2 3.93Å; V88-Y92 HydrophobicContact CG1-CE2 3.98Å; V88-Y92 WeakPolarHBondContact O-CD2 3.41Å; V88-Y92 PolarHBondContact O-N 3.45Å; M89-Y92 PolarHBondContact O-N 3.22Å; M89-Y92 VanDerWaalsContact O-N 3.16Å; A90-Y92 VanDerWaalsContact C-N 3.35Å; Y92-L107 HydrophobicContact CD1-CD1 4.04Å; Y92-L107 HydrophobicContact CD1-CD2 3.92Å; Y92-L107 HydrophobicContact CE1-CD1 4.01Å; Y92-L107 HydrophobicContact CG-CD2 4.27Å; Y92-L111 HydrophobicContact CD2-CD1 4.12Å; Y92-L111 HydrophobicContact CD2-CD2 4.27Å; Y92-L111 HydrophobicContact CE2-CD1 4.34Å; Y92-L111 HydrophobicContact CE2-CD2 3.67Å; Y92-L111 HydrophobicContact CG-CD1 4.38Å; Y92-T126 HydrophobicContact CD2-CG2 4.31Å; Y92-T126 HydrophobicContact CE2-CG2 4.09Å; Y92-L129 HydrophobicContact CE2-CB 4.36Å; Y92-L129 WeakPolarHBondContact OH-CB 3.28Å; Y92-L129 PolarHBondContact OH-O 3.45Å; Y92-L129 VanDerWaalsContact OH-O 3.1Å; Y92-K130 HydrophobicContact CD1-CG 4.46Å; Y92-K130 HydrophobicContact CE1-CG 3.78Å; Y92-K130 HydrophobicContact CE2-CG 3.83Å; Y92-K130 VanDerWaalsContact CZ-CG 3.43Å; Y92-K130 VanDerWaalsContact OH-CA 3.25Å; Y92-K130 WeakPolarHBondContact OH-CA 3.27Å; Y92-K130 WeakPolarHBondContact OH-CG 3.29Å; Y92-K130 PolarHBondContact OH-N 2.99Å; Y92-K130 VanDerWaalsContact OH-N 3.08Å; Y92-I133 HydrophobicContact CE1-CG2 4.28Å; Y92-I133 VanDerWaalsContact CE1-O 3.32Å; Y92-I133 WeakPolarHBondContact CE1-O 3.21Å; Y92-I133 PolarHBondContact OH-O 3.33Å; Y92-I133 VanDerWaalsContact OH-O 3.05Å; Y92-Q135 PolarHBondContact O-NE2 3.34Å
93F91.8Very high93.6Very high28 Ų2852.8 Ų52.812%0.12327%0.273CS..Hα-helixtrans-132.513.8-172.254.8-103.6000114.1M89 K95 I96 N100 N104 L107 I108M89-F93 HydrophobicContact CB-CE1 3.86Å; M89-F93 HydrophobicContact CB-CE2 4.12Å; M89-F93 HydrophobicContact CB-CZ 3.43Å; M89-F93 VanDerWaalsContact CB-CZ 3.43Å; M89-F93 HydrophobicContact CG-CE1 3.92Å; M89-F93 HydrophobicContact CG-CZ 3.63Å; M89-F93 WeakPolarHBondContact O-CD1 3.3Å; M89-F93 WeakPolarHBondContact O-CG 3.49Å; M89-F93 PolarHBondContact O-N 2.99Å; M89-F93 HydrophobicContact SD-CZ 4.17Å; F93-K95 PolarHBondContact O-N 3.42Å; F93-I96 HydrophobicContact CE2-CG1 4.48Å; F93-N100 HydrophobicContact CD2-CB 3.87Å; F93-N100 HydrophobicContact CE2-CB 4.17Å; F93-N104 HydrophobicContact CD1-CB 4.1Å; F93-N104 HydrophobicContact CE1-CB 4.36Å; F93-L107 HydrophobicContact CD1-CD2 4.16Å; F93-I108 HydrophobicContact CE1-CD1 4.21Å; F93-I108 HydrophobicContact CE1-CG1 4.07Å; F93-I108 HydrophobicContact CZ-CD1 4.15Å; F93-I108 HydrophobicContact CZ-CG1 4.44Å
94G91.8Very high93.6Very high38 Ų3850.3 Ų50.339%0.39227%0.266SS..SBendtrans78.1-116.8171.900000113.7A90 I96A90-G94 WeakPolarHBondContact CA-O 3.44Å; A90-G94 WeakPolarHBondContact CB-O 3.16Å; A90-G94 WeakPolarHBondContact O-CA 3.44Å; A90-G94 PolarHBondContact O-N 2.94Å; G94-I96 PolarHBondContact O-N 3.36Å
95K92.5Very high93.5Very high153 Ų15350.1 Ų50.167%0.66527%0.265SS*.SBendtrans-69.4132.8-174.1-172.8179.2178-175.70110.5F93 S97 N100F93-K95 PolarHBondContact O-N 3.42Å; K95-S97 PolarHBondContact O-N 3.08Å; K95-N100 PolarHBondContact O-ND2 2.74Å
96I93.8Very high93.4Very high20 Ų2055.5 Ų55.510%0.10330%0.298CS..  trans-81.5100.1171.9-52.7175000108.6I63 C86 M89 F93 G94 I101I63-I96 HydrophobicContact CG1-CG2 4.44Å; I63-I96 HydrophobicContact CG2-CG2 4.43Å; C86-I96 HydrophobicContact CB-CD1 3.76Å; C86-I96 WeakPolarHBondContact O-CD1 3.24Å; M89-I96 HydrophobicContact CB-CD1 4.18Å; M89-I96 HydrophobicContact CB-CG1 4.28Å; F93-I96 HydrophobicContact CE2-CG1 4.48Å; G94-I96 PolarHBondContact O-N 3.36Å; I96-I101 HydrophobicContact CG2-CD1 4.06Å; I96-I101 HydrophobicContact CG2-CG1 4.48Å
97S94.9Very high93.3Very high28 Ų2856 Ų5620%0.19630%0.301CS..  trans-127.8164.4176.3670000110.3K95 E99 N100 I101K95-S97 PolarHBondContact O-N 3.08Å; S97-E99 VanDerWaalsContact C-N 3.29Å; S97-E99 PolarHBondContact O-N 3.45Å; S97-N100 PolarHBondContact O-N 2.8Å; S97-N100 WeakPolarHBondContact OG-CB 3.38Å; S97-N100 PolarHBondContact OG-N 2.82Å; S97-I101 WeakPolarHBondContact O-CG1 3.39Å; S97-I101 PolarHBondContact O-N 3.26Å
98E95.3Very high93.3Very high53 Ų5351.7 Ų51.725%0.24828%0.277CS..Hα-helixtrans-59.1-42.7177179.1169.916900111.9N9 L15 I63 I101 K102N9-E98 WeakPolarHBondContact CB-OE2 3.08Å; L15-E98 HydrophobicContact CD1-CB 4.22Å; L15-E98 HydrophobicContact CD1-CG 3.95Å; L15-E98 HydrophobicContact CD2-CG 3.83Å; I63-E98 HydrophobicContact CD1-CB 4.11Å; E98-I101 PolarHBondContact O-N 2.92Å; E98-K102 HydrophobicContact CG-CD 4.33Å; E98-K102 WeakPolarHBondContact O-CG 3.49Å; E98-K102 PolarHBondContact O-N 3.31Å; E98-K102 WeakPolarHBondContact OE1-CE 3.09Å; E98-K102 IonicContact OE1-NZ 3.48Å; E98-K102 PolarHBondContact OE1-NZ 2.92Å
99E94.1Very high93.5Very high130 Ų13053.8 Ų53.861%0.60729%0.285SS*.Hα-helixtrans-59.1-49.9175.3-179.1-176.6176.700111.7S97 I101 K102 N103S97-E99 VanDerWaalsContact C-N 3.29Å; S97-E99 PolarHBondContact O-N 3.45Å; E99-I101 VanDerWaalsContact C-N 3.3Å; E99-I101 PolarHBondContact O-N 3.06Å; E99-K102 PolarHBondContact O-N 3.11Å; E99-N103 WeakPolarHBondContact O-CB 3.36Å; E99-N103 VanDerWaalsContact O-CG 3.25Å; E99-N103 PolarHBondContact O-N 2.92Å
100N94.4Very high93.5Very high37 Ų3757.6 Ų57.620%0.19830%0.303CS..Hα-helixtrans-65.9-34.5-178.4-76-6.8000112.1F93 K95 S97 N104F93-N100 HydrophobicContact CD2-CB 3.87Å; F93-N100 HydrophobicContact CE2-CB 4.17Å; K95-N100 PolarHBondContact O-ND2 2.74Å; S97-N100 PolarHBondContact O-N 2.8Å; S97-N100 WeakPolarHBondContact OG-CB 3.38Å; S97-N100 PolarHBondContact OG-N 2.82Å; N100-N104 WeakPolarHBondContact O-CB 3.32Å; N100-N104 PolarHBondContact O-N 2.87Å; N100-N104 VanDerWaalsContact O-N 3.1Å; N100-N104 PolarHBondContact O-ND2 3.24Å
101I94.5Very high93.6Very high1 Ų155.8 Ų55.81%0.00529%0.287CS..Hα-helixtrans-64.8-46.3174.2-69.3162.2000110.7I7 L15 I16 I63 I96 S97 E98 E99 N104 F105 I108I7-I101 HydrophobicContact CG2-CD1 3.85Å; L15-I101 HydrophobicContact CB-CG2 3.89Å; L15-I101 HydrophobicContact CD1-CB 4.47Å; L15-I101 HydrophobicContact CD1-CD1 3.92Å; L15-I101 HydrophobicContact CD1-CG2 4.36Å; I16-I101 HydrophobicContact CD1-CG2 4.12Å; I16-I101 HydrophobicContact CG1-CG2 3.7Å; I63-I101 HydrophobicContact CD1-CD1 4.1Å; I63-I101 HydrophobicContact CG1-CD1 4.11Å; I63-I101 HydrophobicContact CG2-CD1 3.84Å; I96-I101 HydrophobicContact CG2-CD1 4.06Å; I96-I101 HydrophobicContact CG2-CG1 4.48Å; S97-I101 WeakPolarHBondContact O-CG1 3.39Å; S97-I101 PolarHBondContact O-N 3.26Å; E98-I101 PolarHBondContact O-N 2.92Å; E99-I101 VanDerWaalsContact C-N 3.3Å; E99-I101 PolarHBondContact O-N 3.06Å; I101-N104 CarbonylContact O-C 3.6Å; I101-N104 PolarHBondContact O-N 3.17Å; I101-F105 PolarHBondContact O-N 3.31Å; I101-I108 HydrophobicContact CB-CD1 4.19Å; I101-I108 HydrophobicContact CG1-CD1 4.22Å; I101-I108 HydrophobicContact CG2-CD1 3.94Å
102K93.8Very high93.8Very high113 Ų11353.7 Ų53.749%0.49127%0.27SS..Hα-helixtrans-63.5-43.2178.9-71.7178.5-174.4174.60111.9E98 E99 N104E98-K102 HydrophobicContact CG-CD 4.33Å; E98-K102 WeakPolarHBondContact O-CG 3.49Å; E98-K102 PolarHBondContact O-N 3.31Å; E98-K102 WeakPolarHBondContact OE1-CE 3.09Å; E98-K102 IonicContact OE1-NZ 3.48Å; E98-K102 PolarHBondContact OE1-NZ 2.92Å; E99-K102 PolarHBondContact O-N 3.11Å; K102-N104 VanDerWaalsContact C-N 3.28Å; K102-N104 PolarHBondContact O-N 3.15Å
103N94.1Very high94Very high113 Ų11355.9 Ų55.960%0.60428%0.284SS*.Hα-helixtrans-70.8-22.5-178.9-67-10.8000113.2E99E99-N103 WeakPolarHBondContact O-CB 3.36Å; E99-N103 VanDerWaalsContact O-CG 3.25Å; E99-N103 PolarHBondContact O-N 2.92Å
104N94.1Very high94Very high31 Ų3158.6 Ų58.617%0.16630%0.297CS..THydrogen-bonded Turntrans-113.525.1-178.8-64.2-87.9000112.4F93 N100 I101 K102 V106 L107 I108 Q135F93-N104 HydrophobicContact CD1-CB 4.1Å; F93-N104 HydrophobicContact CE1-CB 4.36Å; N100-N104 WeakPolarHBondContact O-CB 3.32Å; N100-N104 PolarHBondContact O-N 2.87Å; N100-N104 VanDerWaalsContact O-N 3.1Å; N100-N104 PolarHBondContact O-ND2 3.24Å; I101-N104 CarbonylContact O-C 3.6Å; I101-N104 PolarHBondContact O-N 3.17Å; K102-N104 VanDerWaalsContact C-N 3.28Å; K102-N104 PolarHBondContact O-N 3.15Å; N104-V106 PolarHBondContact O-N 3.14Å; N104-L107 HydrophobicContact CB-CB 4.42Å; N104-L107 HydrophobicContact CB-CD2 4.3Å; N104-L107 WeakPolarHBondContact O-CB 3.45Å; N104-L107 PolarHBondContact O-N 3.23Å; N104-I108 HydrophobicContact CB-CD1 4.37Å; N104-I108 HydrophobicContact CB-CG1 4.47Å; N104-I108 VanDerWaalsContact O-CG1 3.3Å; N104-I108 WeakPolarHBondContact O-CG1 3.31Å; N104-I108 PolarHBondContact O-N 3.39Å; N104-Q135 PolarHBondContact OD1-NE2 2.82Å
105F93.6Very high94.2Very high96 Ų9656.9 Ų56.942%0.42128%0.279SS..Hα-helixtrans-53.8-50.2-172.6-169.5-92.8000112.5L15 I16 I101 L107 I108 Y109L15-F105 WeakPolarHBondContact O-CE2 3.14Å; I16-F105 HydrophobicContact CD1-CD2 3.39Å; I16-F105 HydrophobicContact CD1-CE2 3.59Å; I16-F105 HydrophobicContact CD1-CG 4.17Å; I16-F105 HydrophobicContact CD1-CZ 4.49Å; I101-F105 PolarHBondContact O-N 3.31Å; F105-L107 PolarHBondContact O-N 3.34Å; F105-I108 PolarHBondContact O-N 3.19Å; F105-I108 VanDerWaalsContact O-N 3.15Å; F105-Y109 AromaticContact CD1-CD2 3.65Å; F105-Y109 HydrophobicContact CD1-CD2 3.65Å; F105-Y109 AromaticContact CD1-CE2 3.62Å; F105-Y109 HydrophobicContact CD1-CE2 3.62Å; F105-Y109 HydrophobicContact CD2-CE2 4.01Å; F105-Y109 AromaticContact CE1-CD2 3.55Å; F105-Y109 HydrophobicContact CE1-CD2 3.55Å; F105-Y109 AromaticContact CE1-CE2 3.12Å; F105-Y109 HydrophobicContact CE1-CE2 3.12Å; F105-Y109 AromaticContact CE2-CE2 3.58Å; F105-Y109 HydrophobicContact CE2-CE2 3.58Å; F105-Y109 HydrophobicContact CG-CD2 4.2Å; F105-Y109 HydrophobicContact CG-CE2 4.05Å; F105-Y109 HydrophobicContact CZ-CD2 4.03Å; F105-Y109 AromaticContact CZ-CE2 3.13Å; F105-Y109 HydrophobicContact CZ-CE2 3.13Å; F105-Y109 AromaticContact CZ-CZ 3.78Å; F105-Y109 VanDerWaalsContact O-CD2 3.3Å; F105-Y109 WeakPolarHBondContact O-CD2 3.19Å; F105-Y109 PolarHBondContact O-N 3.19Å; F105-Y109 VanDerWaalsContact O-N 3.11Å
106V92.8Very high94.4Very high116 Ų11649.6 Ų49.670%0.70325%0.247SC*.Hα-helixtrans-57.9-50.4179.9-179.80000111.5N104 I108 Y109 E110N104-V106 PolarHBondContact O-N 3.14Å; V106-I108 VanDerWaalsContact C-N 3.27Å; V106-I108 PolarHBondContact O-N 3.43Å; V106-Y109 PolarHBondContact O-N 2.82Å; V106-E110 PolarHBondContact O-N 3.43Å
107L92.5Very high94.4Very high13 Ų1353.5 Ų53.57%0.06827%0.268CS..Hα-helixtrans-56.7-41.6176.917370.4000111.8Y92 F93 N104 F105 Y109 E110 L111 I133 Q135Y92-L107 HydrophobicContact CD1-CD1 4.04Å; Y92-L107 HydrophobicContact CD1-CD2 3.92Å; Y92-L107 HydrophobicContact CE1-CD1 4.01Å; Y92-L107 HydrophobicContact CG-CD2 4.27Å; F93-L107 HydrophobicContact CD1-CD2 4.16Å; N104-L107 HydrophobicContact CB-CB 4.42Å; N104-L107 HydrophobicContact CB-CD2 4.3Å; N104-L107 WeakPolarHBondContact O-CB 3.45Å; N104-L107 PolarHBondContact O-N 3.23Å; F105-L107 PolarHBondContact O-N 3.34Å; L107-Y109 VanDerWaalsContact C-N 3.34Å; L107-E110 PolarHBondContact O-N 3.29Å; L107-L111 HydrophobicContact CD1-CD1 4.14Å; L107-L111 HydrophobicContact CD1-CG 4.15Å; L107-L111 HydrophobicContact CD2-CD1 4.42Å; L107-L111 HydrophobicContact CG-CD1 3.88Å; L107-L111 HydrophobicContact CG-CG 4.3Å; L107-L111 WeakPolarHBondContact O-CB 3.4Å; L107-L111 VanDerWaalsContact O-CG 3.24Å; L107-L111 WeakPolarHBondContact O-CG 3.44Å; L107-L111 PolarHBondContact O-N 2.85Å; L107-I133 HydrophobicContact CD1-CG2 3.37Å; L107-Q135 HydrophobicContact CD1-CG 4.46Å; L107-Q135 HydrophobicContact CD2-CG 3.67Å; L107-Q135 VanDerWaalsContact CD2-NE2 3.31Å
108I95.3Very high94.4Very high0 Ų057.3 Ų57.30%028%0.281CS..Hα-helixtrans-66-39.5-178.8-68169.4000110.9I16 M89 F93 I101 N104 F105 V106 L112I16-I108 HydrophobicContact CD1-CB 4.35Å; I16-I108 HydrophobicContact CD1-CG2 3.97Å; I16-I108 HydrophobicContact CG1-CG2 4.03Å; I16-I108 HydrophobicContact CG2-CG2 4.35Å; M89-I108 HydrophobicContact CE-CB 4.32Å; M89-I108 HydrophobicContact CE-CD1 4.12Å; M89-I108 HydrophobicContact CE-CG1 3.94Å; M89-I108 HydrophobicContact CE-CG2 3.49Å; M89-I108 VanDerWaalsContact CE-CG2 3.49Å; F93-I108 HydrophobicContact CE1-CD1 4.21Å; F93-I108 HydrophobicContact CE1-CG1 4.07Å; F93-I108 HydrophobicContact CZ-CD1 4.15Å; F93-I108 HydrophobicContact CZ-CG1 4.44Å; I101-I108 HydrophobicContact CB-CD1 4.19Å; I101-I108 HydrophobicContact CG1-CD1 4.22Å; I101-I108 HydrophobicContact CG2-CD1 3.94Å; N104-I108 HydrophobicContact CB-CD1 4.37Å; N104-I108 HydrophobicContact CB-CG1 4.47Å; N104-I108 VanDerWaalsContact O-CG1 3.3Å; N104-I108 WeakPolarHBondContact O-CG1 3.31Å; N104-I108 PolarHBondContact O-N 3.39Å; F105-I108 PolarHBondContact O-N 3.19Å; F105-I108 VanDerWaalsContact O-N 3.15Å; V106-I108 VanDerWaalsContact C-N 3.27Å; V106-I108 PolarHBondContact O-N 3.43Å; I108-L112 HydrophobicContact CG2-CD1 4.07Å; I108-L112 HydrophobicContact CG2-CG 4.35Å; I108-L112 VanDerWaalsContact O-CB 3.28Å; I108-L112 WeakPolarHBondContact O-CB 3.5Å; I108-L112 WeakPolarHBondContact O-CG 3.44Å; I108-L112 PolarHBondContact O-N 3.13Å
109Y95.5Very high94.3Very high47 Ų4754.8 Ų54.818%0.18427%0.269CS..Hα-helixtrans-65-43.8175.2-85.6-81.2000112.2I16 S17 R18 F105 V106 L107 L112 D113I16-Y109 HydrophobicContact CD1-CD2 4.29Å; I16-Y109 HydrophobicContact CD1-CE2 3.66Å; I16-Y109 HydrophobicContact CG2-CE2 4.24Å; S17-Y109 PolarHBondContact N-OH 2.81Å; S17-Y109 WeakPolarHBondContact O-CE1 3.31Å; S17-Y109 PolarHBondContact O-OH 2.74Å; R18-Y109 HydrophobicContact CB-CE1 4.47Å; F105-Y109 AromaticContact CD1-CD2 3.65Å; F105-Y109 HydrophobicContact CD1-CD2 3.65Å; F105-Y109 AromaticContact CD1-CE2 3.62Å; F105-Y109 HydrophobicContact CD1-CE2 3.62Å; F105-Y109 HydrophobicContact CD2-CE2 4.01Å; F105-Y109 AromaticContact CE1-CD2 3.55Å; F105-Y109 HydrophobicContact CE1-CD2 3.55Å; F105-Y109 AromaticContact CE1-CE2 3.12Å; F105-Y109 HydrophobicContact CE1-CE2 3.12Å; F105-Y109 AromaticContact CE2-CE2 3.58Å; F105-Y109 HydrophobicContact CE2-CE2 3.58Å; F105-Y109 HydrophobicContact CG-CD2 4.2Å; F105-Y109 HydrophobicContact CG-CE2 4.05Å; F105-Y109 HydrophobicContact CZ-CD2 4.03Å; F105-Y109 AromaticContact CZ-CE2 3.13Å; F105-Y109 HydrophobicContact CZ-CE2 3.13Å; F105-Y109 AromaticContact CZ-CZ 3.78Å; F105-Y109 VanDerWaalsContact O-CD2 3.3Å; F105-Y109 WeakPolarHBondContact O-CD2 3.19Å; F105-Y109 PolarHBondContact O-N 3.19Å; F105-Y109 VanDerWaalsContact O-N 3.11Å; V106-Y109 PolarHBondContact O-N 2.82Å; L107-Y109 VanDerWaalsContact C-N 3.34Å; Y109-L112 PolarHBondContact O-N 2.84Å; Y109-D113 PolarHBondContact O-N 3.47Å
110E94.3Very high94.3Very high84 Ų8454.1 Ų54.139%0.39326%0.262SS..Hα-helixtrans-61.2-46.8176.3-171.6178.1-169.100111.5V106 L107 L112 D113 E114 I133V106-E110 PolarHBondContact O-N 3.43Å; L107-E110 PolarHBondContact O-N 3.29Å; E110-L112 VanDerWaalsContact C-N 3.33Å; E110-L112 PolarHBondContact O-N 3.26Å; E110-D113 PolarHBondContact O-N 2.96Å; E110-E114 PolarHBondContact O-N 2.9Å; E110-E114 VanDerWaalsContact O-N 3.09Å; E110-I133 HydrophobicContact CG-CD1 4.22Å; E110-I133 HydrophobicContact CG-CG1 4.1Å; E110-I133 HydrophobicContact CG-CG2 4.2Å
111L94.9Very high94.3Very high4 Ų454.3 Ų54.32%0.02127%0.266CS..Hα-helixtrans-59-44.7174.7-74.3171.4000111.7V88 Y92 L107 D113 E114 I115 L129 I133V88-L111 HydrophobicContact CG1-CD1 4.3Å; V88-L111 HydrophobicContact CG1-CD2 4.06Å; Y92-L111 HydrophobicContact CD2-CD1 4.12Å; Y92-L111 HydrophobicContact CD2-CD2 4.27Å; Y92-L111 HydrophobicContact CE2-CD1 4.34Å; Y92-L111 HydrophobicContact CE2-CD2 3.67Å; Y92-L111 HydrophobicContact CG-CD1 4.38Å; L107-L111 HydrophobicContact CD1-CD1 4.14Å; L107-L111 HydrophobicContact CD1-CG 4.15Å; L107-L111 HydrophobicContact CD2-CD1 4.42Å; L107-L111 HydrophobicContact CG-CD1 3.88Å; L107-L111 HydrophobicContact CG-CG 4.3Å; L107-L111 WeakPolarHBondContact O-CB 3.4Å; L107-L111 VanDerWaalsContact O-CG 3.24Å; L107-L111 WeakPolarHBondContact O-CG 3.44Å; L107-L111 PolarHBondContact O-N 2.85Å; L111-D113 VanDerWaalsContact C-N 3.34Å; L111-D113 PolarHBondContact O-N 3.26Å; L111-E114 PolarHBondContact O-N 2.77Å; L111-I115 WeakPolarHBondContact O-CG1 3.43Å; L111-I115 WeakPolarHBondContact O-CG2 3.48Å; L111-I115 PolarHBondContact O-N 3.11Å; L111-L129 HydrophobicContact CD2-CD1 4.29Å; L111-I133 HydrophobicContact CD2-CB 4.49Å; L111-I133 HydrophobicContact CD2-CD1 3.86Å; L111-I133 HydrophobicContact CD2-CG2 3.94Å; L111-I133 HydrophobicContact CG-CG2 4.21Å
112L95.8Very high94.3Very high1 Ų158.8 Ų58.81%0.00529%0.286CS..Hα-helixtrans-62.3-41.6-179-83.7179.8000112.5L5 I16 R18 Y20 M85 I108 Y109 E110 E114 L116L5-L112 HydrophobicContact CD2-CD1 4.42Å; L5-L112 HydrophobicContact CD2-CD2 4.14Å; I16-L112 HydrophobicContact CG2-CD1 3.79Å; R18-L112 HydrophobicContact CB-CD1 3.92Å; R18-L112 HydrophobicContact CG-CD1 4.35Å; Y20-L112 WeakPolarHBondContact OH-CB 3.45Å; Y20-L112 PolarHBondContact OH-O 2.96Å; M85-L112 HydrophobicContact CE-CD1 4.33Å; M85-L112 HydrophobicContact CE-CD2 3.41Å; M85-L112 VanDerWaalsContact CE-CD2 3.41Å; M85-L112 HydrophobicContact CE-CG 4.1Å; M85-L112 HydrophobicContact SD-CD2 3.77Å; I108-L112 HydrophobicContact CG2-CD1 4.07Å; I108-L112 HydrophobicContact CG2-CG 4.35Å; I108-L112 VanDerWaalsContact O-CB 3.28Å; I108-L112 WeakPolarHBondContact O-CB 3.5Å; I108-L112 WeakPolarHBondContact O-CG 3.44Å; I108-L112 PolarHBondContact O-N 3.13Å; Y109-L112 PolarHBondContact O-N 2.84Å; E110-L112 VanDerWaalsContact C-N 3.33Å; E110-L112 PolarHBondContact O-N 3.26Å; L112-E114 VanDerWaalsContact C-N 3.32Å; L112-L116 PolarHBondContact O-N 3.18Å; L112-L116 VanDerWaalsContact O-N 3.1Å
113D93.7Very high93.9Very high68 Ų6856.4 Ų56.436%0.36428%0.279SS..Hα-helixtrans-68.8-33.8178.9-73.4-14.1000112.1R18 Y109 E110 L111R18-D113 IonicContact CZ-OD1 2.92Å; R18-D113 IonicContact CZ-OD2 3.29Å; R18-D113 VanDerWaalsContact CZ-OD2 3.29Å; R18-D113 IonicContact NE-OD1 2.7Å; R18-D113 PolarHBondContact NE-OD1 3.04Å; R18-D113 IonicContact NE-OD2 3.83Å; R18-D113 IonicContact NH1-OD2 3.86Å; R18-D113 IonicContact NH2-OD1 2.65Å; R18-D113 PolarHBondContact NH2-OD1 3.12Å; R18-D113 IonicContact NH2-OD2 2.75Å; R18-D113 PolarHBondContact NH2-OD2 2.83Å; Y109-D113 PolarHBondContact O-N 3.47Å; E110-D113 PolarHBondContact O-N 2.96Å; L111-D113 VanDerWaalsContact C-N 3.34Å; L111-D113 PolarHBondContact O-N 3.26Å
114E93.4Very high93.7Very high85 Ų8552.4 Ų52.440%0.39726%0.26SS..Hα-helixtrans-76-43.8177.3-170.463.7-154.700112.6E110 L111 L112 Q122 L129 F132 I133E110-E114 PolarHBondContact O-N 2.9Å; E110-E114 VanDerWaalsContact O-N 3.09Å; L111-E114 PolarHBondContact O-N 2.77Å; L112-E114 VanDerWaalsContact C-N 3.32Å; E114-Q122 WeakPolarHBondContact O-CB 3.28Å; E114-L129 HydrophobicContact CB-CD2 4.47Å; E114-L129 HydrophobicContact CG-CD2 3.72Å; E114-F132 HydrophobicContact CG-CE2 3.79Å; E114-F132 HydrophobicContact CG-CZ 4.15Å; E114-I133 HydrophobicContact CB-CD1 3.81Å; E114-I133 HydrophobicContact CG-CD1 4.04Å
115I95.6Very high93.3Very high2 Ų252.4 Ų52.41%0.0126%0.259CS..Hα-helixtrans-86.3-9.4-17373.1-171.6000113.5F81 M85 L111 Q122 L129F81-I115 HydrophobicContact CE2-CB 4.48Å; F81-I115 HydrophobicContact CE2-CD1 4.19Å; F81-I115 HydrophobicContact CE2-CG1 3.88Å; F81-I115 HydrophobicContact CZ-CD1 4.28Å; F81-I115 HydrophobicContact CZ-CG1 4.1Å; M85-I115 HydrophobicContact CB-CD1 4.41Å; M85-I115 HydrophobicContact CG-CD1 4.26Å; L111-I115 WeakPolarHBondContact O-CG1 3.43Å; L111-I115 WeakPolarHBondContact O-CG2 3.48Å; L111-I115 PolarHBondContact O-N 3.11Å; I115-Q122 PolarHBondContact O-N 3.01Å; I115-L129 HydrophobicContact CG2-CD1 3.73Å; I115-L129 HydrophobicContact CG2-CD2 4.09Å
116L96Very high92.9Very high0 Ų049.5 Ų49.50%025%0.249CC..EExtended strand (participates in β ladder)trans-148.293.7-177.8-170.964.8000110.9I2 Y20 F81 L112 G119 Y120 P121I2-L116 HydrophobicContact CB-CD2 4.45Å; I2-L116 HydrophobicContact CD1-CD1 4.29Å; I2-L116 HydrophobicContact CD1-CD2 4.34Å; I2-L116 HydrophobicContact CG2-CD2 4.28Å; Y20-L116 WeakPolarHBondContact CD1-O 3.24Å; Y20-L116 HydrophobicContact CD2-CD2 3.8Å; Y20-L116 HydrophobicContact CD2-CG 4.39Å; Y20-L116 HydrophobicContact CE1-CB 4.2Å; Y20-L116 HydrophobicContact CE1-CD2 4.27Å; Y20-L116 HydrophobicContact CE1-CG 4.14Å; Y20-L116 WeakPolarHBondContact CE1-O 3.41Å; Y20-L116 HydrophobicContact CE2-CD2 3.26Å; Y20-L116 HydrophobicContact CE2-CG 4.01Å; Y20-L116 HydrophobicContact CG-CD2 4.49Å; F81-L116 HydrophobicContact CE1-CD1 4.45Å; F81-L116 HydrophobicContact CE1-CD2 3.7Å; F81-L116 HydrophobicContact CE2-CB 4Å; F81-L116 HydrophobicContact CE2-CD1 4.15Å; F81-L116 HydrophobicContact CE2-CD2 4.45Å; F81-L116 HydrophobicContact CE2-CG 4.44Å; F81-L116 HydrophobicContact CZ-CB 3.73Å; F81-L116 HydrophobicContact CZ-CD1 4.09Å; F81-L116 HydrophobicContact CZ-CD2 3.61Å; F81-L116 HydrophobicContact CZ-CG 4.02Å; L112-L116 PolarHBondContact O-N 3.18Å; L112-L116 VanDerWaalsContact O-N 3.1Å; L116-G119 VanDerWaalsContact CD1-C 3.42Å; L116-G119 WeakPolarHBondContact CD1-O 3.48Å; L116-Y120 VanDerWaalsContact CD1-C 3.5Å; L116-P121 HydrophobicContact CD1-CB 4.34Å; L116-P121 HydrophobicContact CD1-CG 3.93Å
117D94.8Very high92.2Very high102 Ų10246 Ų4655%0.54524%0.236SC..EExtended strand (participates in β ladder)trans-97125.5177.7-177.419.9000111G119 Y120 Q122D117-G119 PolarHBondContact O-N 3.04Å; D117-Y120 PolarHBondContact N-O 2.82Å; D117-Y120 VanDerWaalsContact N-O 3.12Å; D117-Y120 WeakPolarHBondContact O-CA 3.22Å; D117-Y120 WeakPolarHBondContact O-CB 3.09Å; D117-Y120 WeakPolarHBondContact O-CD2 3.33Å; D117-Y120 PolarHBondContact O-N 2.94Å; D117-Q122 HydrophobicContact CB-CG 4.14Å
118F94.3Very high91.7Very high108 Ų10845.5 Ų45.547%0.47423%0.234SC..THydrogen-bonded Turntrans44.740.6-178.8-161.7-124.1000111.6Y20 R21 Y120Y20-F118 WeakPolarHBondContact O-CD2 3.39Å; Y20-F118 WeakPolarHBondContact O-CE2 3.23Å; R21-F118 VanDerWaalsContact CZ-O 3.23Å; R21-F118 PolarHBondContact NH1-O 3.02Å; R21-F118 VanDerWaalsContact NH2-CD1 3.31Å; R21-F118 VanDerWaalsContact NH2-CE1 3.29Å; R21-F118 PolarHBondContact NH2-O 3.12Å; F118-Y120 VanDerWaalsContact C-N 3.27Å; F118-Y120 HydrophobicContact CB-CD2 4.32Å; F118-Y120 HydrophobicContact CD1-CD2 4.49Å; F118-Y120 AromaticContact CD1-CE2 3.97Å; F118-Y120 HydrophobicContact CD1-CE2 3.97Å; F118-Y120 WeakPolarHBondContact O-CD2 3.47Å; F118-Y120 WeakPolarHBondContact O-CE2 3.04Å; F118-Y120 PolarHBondContact O-N 3.11Å
119G92.6Very high91.3Very high0 Ų045.7 Ų45.70%024%0.235CC..THydrogen-bonded Turntrans77.5-0.9179.200000116.4M1 I2 L116 D117 P121M1-G119 WeakPolarHBondContact CB-O 3.46Å; I2-G119 PolarHBondContact N-O 2.98Å; I2-G119 WeakPolarHBondContact O-CA 3.33Å; L116-G119 VanDerWaalsContact CD1-C 3.42Å; L116-G119 WeakPolarHBondContact CD1-O 3.48Å; D117-G119 PolarHBondContact O-N 3.04Å; G119-P121 WeakPolarHBondContact O-CD 3.08Å
120Y94.6Very high90.8Very high115 Ų11548.2 Ų48.245%0.45125%0.247SC..EExtended strand (participates in β ladder)trans-90.9113.2175-63.5-92.8000109.9M1 L116 D117 F118 Q122M1-Y120 HydrophobicContact CB-CE2 4.45Å; M1-Y120 HydrophobicContact CE-CD1 3.69Å; M1-Y120 HydrophobicContact CE-CE1 4.28Å; M1-Y120 HydrophobicContact CE-CG 4.18Å; M1-Y120 HydrophobicContact CG-CD1 3.61Å; M1-Y120 HydrophobicContact CG-CD2 4.28Å; M1-Y120 HydrophobicContact CG-CE1 3.35Å; M1-Y120 HydrophobicContact CG-CE2 4.04Å; M1-Y120 HydrophobicContact CG-CG 4.05Å; M1-Y120 HydrophobicContact SD-CD1 4.21Å; M1-Y120 HydrophobicContact SD-CE1 4.19Å; L116-Y120 VanDerWaalsContact CD1-C 3.5Å; D117-Y120 PolarHBondContact N-O 2.82Å; D117-Y120 VanDerWaalsContact N-O 3.12Å; D117-Y120 WeakPolarHBondContact O-CA 3.22Å; D117-Y120 WeakPolarHBondContact O-CB 3.09Å; D117-Y120 WeakPolarHBondContact O-CD2 3.33Å; D117-Y120 PolarHBondContact O-N 2.94Å; F118-Y120 VanDerWaalsContact C-N 3.27Å; F118-Y120 HydrophobicContact CB-CD2 4.32Å; F118-Y120 HydrophobicContact CD1-CD2 4.49Å; F118-Y120 AromaticContact CD1-CE2 3.97Å; F118-Y120 HydrophobicContact CD1-CE2 3.97Å; F118-Y120 WeakPolarHBondContact O-CD2 3.47Å; F118-Y120 WeakPolarHBondContact O-CE2 3.04Å; F118-Y120 PolarHBondContact O-N 3.11Å; Y120-Q122 PolarHBondContact O-N 3.06Å; Y120-Q122 PolarHBondContact O-NE2 3.15Å; Y120-Q122 VanDerWaalsContact O-NE2 3.12Å
121P95.3Very high90.1Very high42 Ų4245.1 Ų45.127%0.27323%0.234SC..EExtended strand (participates in β ladder)trans-58.5128.2176-25.935.7000110.7F81 L116 G119F81-P121 HydrophobicContact CB-CG 4.32Å; F81-P121 HydrophobicContact CD2-CB 3.86Å; F81-P121 HydrophobicContact CD2-CG 4.13Å; F81-P121 HydrophobicContact CE2-CB 4.49Å; F81-P121 HydrophobicContact CG-CB 4.47Å; F81-P121 HydrophobicContact CG-CG 4.28Å; L116-P121 HydrophobicContact CD1-CB 4.34Å; L116-P121 HydrophobicContact CD1-CG 3.93Å; G119-P121 WeakPolarHBondContact O-CD 3.08Å
122Q93.3Very high89.4Confident94 Ų9447.6 Ų47.644%0.43925%0.245SC..  trans-101.4-170.9177.7-57.2-56.7-32.500110.4E114 I115 D117 Y120 S124E114-Q122 WeakPolarHBondContact O-CB 3.28Å; I115-Q122 PolarHBondContact O-N 3.01Å; D117-Q122 HydrophobicContact CB-CG 4.14Å; Y120-Q122 PolarHBondContact O-N 3.06Å; Y120-Q122 PolarHBondContact O-NE2 3.15Å; Y120-Q122 VanDerWaalsContact O-NE2 3.12Å; Q122-S124 PolarHBondContact O-N 3.01Å; Q122-S124 VanDerWaalsContact O-N 3.15Å
123N85.5Confident88.9Confident63 Ų6347.6 Ų47.634%0.33725%0.245SC..  trans-64.5114.7176.5-172-16.1000110.6E125N123-E125 VanDerWaalsContact OD1-CB 3.24Å; N123-E125 WeakPolarHBondContact OD1-CB 3.4Å; N123-E125 WeakPolarHBondContact OD1-CG 3.39Å; N123-E125 PolarHBondContact OD1-N 2.94Å
124S89.4Confident88.3Confident29 Ų2947.1 Ų47.120%0.20324%0.244CC..  trans-106.628.5179.975.80000112.8V88 Q122 T126V88-S124 WeakPolarHBondContact CG2-O 3.46Å; Q122-S124 PolarHBondContact O-N 3.01Å; Q122-S124 VanDerWaalsContact O-N 3.15Å; S124-T126 PolarHBondContact O-N 3Å
125E85.6Confident87.1Confident32 Ų3248 Ų4815%0.1525%0.248CC..  trans-74.4108.1178.1-74.9-178.9-153.100111.5N123 G127 A128 L129 G159 W160 Q249N123-E125 VanDerWaalsContact OD1-CB 3.24Å; N123-E125 WeakPolarHBondContact OD1-CB 3.4Å; N123-E125 WeakPolarHBondContact OD1-CG 3.39Å; N123-E125 PolarHBondContact OD1-N 2.94Å; E125-G127 PolarHBondContact O-N 3.22Å; E125-A128 HydrophobicContact CB-CB 4.38Å; E125-A128 PolarHBondContact O-N 3.26Å; E125-L129 WeakPolarHBondContact O-CG 3.45Å; E125-L129 PolarHBondContact O-N 2.92Å; E125-G159 WeakPolarHBondContact OE2-CA 3.5Å; E125-G159 VanDerWaalsContact OE2-O 3.1Å; E125-W160 WeakPolarHBondContact OE2-CA 3.41Å; E125-W160 WeakPolarHBondContact OE2-CB 3.25Å; E125-W160 PolarHBondContact OE2-N 3.45Å; E125-Q249 PolarHBondContact OE1-NE2 2.98Å
126T85.4Confident85.5Confident34 Ų3455.8 Ų55.821%0.20929%0.285CS..Hα-helixtrans-53-34.7-178.4-45.40000113.8A91 Y92 S124 A128 L129 K130A91-T126 HydrophobicContact CB-CG2 3.62Å; Y92-T126 HydrophobicContact CD2-CG2 4.31Å; Y92-T126 HydrophobicContact CE2-CG2 4.09Å; S124-T126 PolarHBondContact O-N 3Å; T126-A128 VanDerWaalsContact C-N 3.3Å; T126-A128 PolarHBondContact O-N 3.01Å; T126-L129 PolarHBondContact O-N 2.68Å; T126-K130 HydrophobicContact CG2-CD 3.96Å; T126-K130 HydrophobicContact CG2-CG 4.07Å; T126-K130 VanDerWaalsContact O-CB 3.31Å; T126-K130 WeakPolarHBondContact O-CB 3.44Å; T126-K130 WeakPolarHBondContact O-CG 3.45Å; T126-K130 PolarHBondContact O-N 3.49Å
127G79.4Confident83.2Confident42 Ų4259.2 Ų59.243%0.43332%0.32SS..Hα-helixtrans-65.6-32.6179.100000113.4E125 T131E125-G127 PolarHBondContact O-N 3.22Å; G127-T131 WeakPolarHBondContact O-CG2 3.4Å
128A80.9Confident80.9Confident4 Ų460.3 Ų60.33%0.03332%0.324CS..Hα-helixtrans-79.5-50.117200000110.2E125 T126 K130 T131 F132 V154E125-A128 HydrophobicContact CB-CB 4.38Å; E125-A128 PolarHBondContact O-N 3.26Å; T126-A128 VanDerWaalsContact C-N 3.3Å; T126-A128 PolarHBondContact O-N 3.01Å; A128-K130 VanDerWaalsContact C-N 3.27Å; A128-K130 PolarHBondContact O-N 2.68Å; A128-T131 PolarHBondContact O-N 3.4Å; A128-T131 PolarHBondContact O-OG1 3Å; A128-F132 VanDerWaalsContact O-CD1 3.31Å; A128-F132 WeakPolarHBondContact O-CD1 3.2Å; A128-F132 WeakPolarHBondContact O-CE1 3.45Å; A128-V154 HydrophobicContact CB-CG2 4.42Å
129L86.3Confident78.6Confident3 Ų364.1 Ų64.12%0.01634%0.341CS..Hα-helixtrans-54.4-41.8-178.5-63172.9000112.5V88 Y92 L111 E114 I115 E125 T126 T131 F132 I133V88-L129 HydrophobicContact CG1-CD1 3.95Å; V88-L129 HydrophobicContact CG2-CD1 4.31Å; Y92-L129 HydrophobicContact CE2-CB 4.36Å; Y92-L129 WeakPolarHBondContact OH-CB 3.28Å; Y92-L129 PolarHBondContact OH-O 3.45Å; Y92-L129 VanDerWaalsContact OH-O 3.1Å; L111-L129 HydrophobicContact CD2-CD1 4.29Å; E114-L129 HydrophobicContact CB-CD2 4.47Å; E114-L129 HydrophobicContact CG-CD2 3.72Å; I115-L129 HydrophobicContact CG2-CD1 3.73Å; I115-L129 HydrophobicContact CG2-CD2 4.09Å; E125-L129 WeakPolarHBondContact O-CG 3.45Å; E125-L129 PolarHBondContact O-N 2.92Å; T126-L129 PolarHBondContact O-N 2.68Å; L129-T131 PolarHBondContact O-N 3.21Å; L129-T131 VanDerWaalsContact O-N 3.11Å; L129-F132 HydrophobicContact CD2-CE2 4.3Å; L129-F132 HydrophobicContact CD2-CZ 3.85Å; L129-F132 PolarHBondContact O-N 2.94Å; L129-I133 HydrophobicContact CD2-CD1 4.22Å; L129-I133 WeakPolarHBondContact O-CA 3.34Å; L129-I133 WeakPolarHBondContact O-CB 3.49Å; L129-I133 PolarHBondContact O-N 2.88Å
130K85.4Confident76.3Confident100 Ų10069.4 Ų69.444%0.43538%0.378SS..Hα-helixtrans-66.8-10.9-178.6-80.2-174.7175-1710114.8A91 Y92 T126 A128A91-K130 WeakPolarHBondContact O-CE 3.33Å; A91-K130 PolarHBondContact O-NZ 2.83Å; Y92-K130 HydrophobicContact CD1-CG 4.46Å; Y92-K130 HydrophobicContact CE1-CG 3.78Å; Y92-K130 HydrophobicContact CE2-CG 3.83Å; Y92-K130 VanDerWaalsContact CZ-CG 3.43Å; Y92-K130 VanDerWaalsContact OH-CA 3.25Å; Y92-K130 WeakPolarHBondContact OH-CA 3.27Å; Y92-K130 WeakPolarHBondContact OH-CG 3.29Å; Y92-K130 PolarHBondContact OH-N 2.99Å; Y92-K130 VanDerWaalsContact OH-N 3.08Å; T126-K130 HydrophobicContact CG2-CD 3.96Å; T126-K130 HydrophobicContact CG2-CG 4.07Å; T126-K130 VanDerWaalsContact O-CB 3.31Å; T126-K130 WeakPolarHBondContact O-CB 3.44Å; T126-K130 WeakPolarHBondContact O-CG 3.45Å; T126-K130 PolarHBondContact O-N 3.49Å; A128-K130 VanDerWaalsContact C-N 3.27Å; A128-K130 PolarHBondContact O-N 2.68Å
131T79.6Confident74.3Confident19 Ų1972.3 Ų72.312%0.11740%0.396CS..Hα-helixtrans-80.4-31.5177.266.30000112G127 A128 L129G127-T131 WeakPolarHBondContact O-CG2 3.4Å; A128-T131 PolarHBondContact O-N 3.4Å; A128-T131 PolarHBondContact O-OG1 3Å; L129-T131 PolarHBondContact O-N 3.21Å; L129-T131 VanDerWaalsContact O-N 3.11Å
132F81.3Confident72.6Confident56 Ų5673.4 Ų73.425%0.24640%0.397CS..Hα-helixtrans-118.2-26.5-176.956-90.9000113.9E114 A128 L129 I150 V154E114-F132 HydrophobicContact CG-CE2 3.79Å; E114-F132 HydrophobicContact CG-CZ 4.15Å; A128-F132 VanDerWaalsContact O-CD1 3.31Å; A128-F132 WeakPolarHBondContact O-CD1 3.2Å; A128-F132 WeakPolarHBondContact O-CE1 3.45Å; L129-F132 HydrophobicContact CD2-CE2 4.3Å; L129-F132 HydrophobicContact CD2-CZ 3.85Å; L129-F132 PolarHBondContact O-N 2.94Å; F132-I150 HydrophobicContact CB-CG2 4.28Å; F132-I150 HydrophobicContact CD1-CG2 3.68Å; F132-I150 HydrophobicContact CE1-CG2 4.44Å; F132-I150 HydrophobicContact CG-CG2 4.33Å; F132-V154 HydrophobicContact CE1-CG2 3.81Å; F132-V154 HydrophobicContact CZ-CG2 4.49Å
133I85.6Confident71.5Confident2 Ų272.5 Ų72.51%0.0140%0.398CS..SBendtrans-97.2104.8170.9-60.5175.4000108.1Y92 L107 E110 L111 E114 L129Y92-I133 HydrophobicContact CE1-CG2 4.28Å; Y92-I133 VanDerWaalsContact CE1-O 3.32Å; Y92-I133 WeakPolarHBondContact CE1-O 3.21Å; Y92-I133 PolarHBondContact OH-O 3.33Å; Y92-I133 VanDerWaalsContact OH-O 3.05Å; L107-I133 HydrophobicContact CD1-CG2 3.37Å; E110-I133 HydrophobicContact CG-CD1 4.22Å; E110-I133 HydrophobicContact CG-CG1 4.1Å; E110-I133 HydrophobicContact CG-CG2 4.2Å; L111-I133 HydrophobicContact CD2-CB 4.49Å; L111-I133 HydrophobicContact CD2-CD1 3.86Å; L111-I133 HydrophobicContact CD2-CG2 3.94Å; L111-I133 HydrophobicContact CG-CG2 4.21Å; E114-I133 HydrophobicContact CB-CD1 3.81Å; E114-I133 HydrophobicContact CG-CD1 4.04Å; L129-I133 HydrophobicContact CD2-CD1 4.22Å; L129-I133 WeakPolarHBondContact O-CA 3.34Å; L129-I133 WeakPolarHBondContact O-CB 3.49Å; L129-I133 PolarHBondContact O-N 2.88Å
134T79.5Confident70.8Confident58 Ų5878.4 Ų78.436%0.35642%0.421SS..  trans-121.6142.5-174.366.90000112.1Q136T134-Q136 VanDerWaalsContact C-N 3.31Å; T134-Q136 PolarHBondContact OG1-O 2.8Å
135Q68.9Low70Confident103 Ų10383.7 Ų83.748%0.48144%0.442SS..SBendtrans-77.9-18.2175.2-79.9176.3-9.700113.2Y92 N104 L107Y92-Q135 PolarHBondContact O-NE2 3.34Å; N104-Q135 PolarHBondContact OD1-NE2 2.82Å; L107-Q135 HydrophobicContact CD1-CG 4.46Å; L107-Q135 HydrophobicContact CD2-CG 3.67Å; L107-Q135 VanDerWaalsContact CD2-NE2 3.31Å
136Q61.9Low69.4Low166 Ų16686 Ų8678%0.77645%0.453SS*.SBendtrans-89.8134178.9-64.5-174.2-2.300108T134 I138T134-Q136 VanDerWaalsContact C-N 3.31Å; T134-Q136 PolarHBondContact OG1-O 2.8Å; Q136-I138 PolarHBondContact O-N 3.49Å
137G47.8Very low68.8Low72 Ų7289.5 Ų89.574%0.74247%0.467SS*.  trans-47.8131.6-179.500000111.3K139G137-K139 PolarHBondContact O-N 2.92Å
138I45.3Very low68.5Low124 Ų12490.8 Ų90.864%0.63647%0.47SS*.  trans-47.8106.7-175.4-57-176.1000109Q136 S140Q136-I138 PolarHBondContact O-N 3.49Å; I138-S140 PolarHBondContact O-N 3.48Å; I138-S140 PolarHBondContact O-OG 2.97Å
139K46Very low68.2Low188 Ų18896.7 Ų96.782%0.81750%0.497SS*.  trans-61.9108.9158.9-84.2-172.3177-178.10105.1G137 Q141G137-K139 PolarHBondContact O-N 2.92Å; K139-Q141 PolarHBondContact O-N 2.85Å
140S46Very low67.6Low112 Ų11297.8 Ų97.878%0.78350%0.502SS*.SBendtrans-6925.4-163.6-41.40000115.7I138I138-S140 PolarHBondContact O-N 3.48Å; I138-S140 PolarHBondContact O-OG 2.97Å
141Q51.8Low67.1Low175 Ų17596.9 Ų96.982%0.81851%0.505SS*.  trans-14680.5176-74.6-175.1-15.900110K139 T143K139-Q141 PolarHBondContact O-N 2.85Å; Q141-T143 PolarHBondContact O-N 3.33Å
142H59.9Low67Low66 Ų6699.1 Ų99.131%0.30652%0.522SS..  trans-66.5125.1151.4-72.4-64.9000107.2E146 Q147H142-E146 WeakPolarHBondContact CA-OE2 3.3Å; H142-E146 IonicContact CE1-OE1 2.65Å; H142-E146 IonicContact CE1-OE2 2.68Å; H142-E146 IonicContact CG-OE2 3.63Å; H142-E146 IonicContact ND1-OE1 3.51Å; H142-E146 IonicContact ND1-OE2 2.82Å; H142-E146 PolarHBondContact ND1-OE2 3.18Å; H142-Q147 HydrophobicContact CB-CG 4Å
143T69.1Low66.7Low75 Ų7597.3 Ų97.346%0.4651%0.514SS..  trans-64.8154175.761.30000109.2Q141 E145 E146 Q147Q141-T143 PolarHBondContact O-N 3.33Å; T143-E145 PolarHBondContact O-N 2.94Å; T143-E145 VanDerWaalsContact O-N 3.11Å; T143-E146 WeakPolarHBondContact O-CB 3.33Å; T143-E146 PolarHBondContact O-N 3.27Å; T143-E146 PolarHBondContact OG1-N 2.96Å; T143-Q147 PolarHBondContact O-N 3.33Å
144K71.9Confident66.2Low187 Ų18799.8 Ų99.881%0.81353%0.529SS*.Hα-helixtrans-53.4-33.6175.1-75.9-175.9175.8-179.90112S148K144-S148 PolarHBondContact O-N 3.17Å
145E72.8Confident66Low139 Ų139102.3 Ų102.365%0.6554%0.544SS*.Hα-helixtrans-64.9-46.1175.7-67.8153.4-173.500111.5T143 Q147 S148 Q149T143-E145 PolarHBondContact O-N 2.94Å; T143-E145 VanDerWaalsContact O-N 3.11Å; E145-Q147 PolarHBondContact O-N 3.14Å; E145-S148 PolarHBondContact O-N 3.5Å; E145-S148 PolarHBondContact O-OG 3.12Å; E145-Q149 WeakPolarHBondContact O-CG 3.44Å; E145-Q149 PolarHBondContact O-N 3.27Å
146E72.2Confident66.3Low81 Ų8199 Ų9938%0.37954%0.538SS..Hα-helixtrans-63.7-41.8177.6-164.5176.7-164.200111.7H142 T143 S148 Q149 I150H142-E146 WeakPolarHBondContact CA-OE2 3.3Å; H142-E146 IonicContact CE1-OE1 2.65Å; H142-E146 IonicContact CE1-OE2 2.68Å; H142-E146 IonicContact CG-OE2 3.63Å; H142-E146 IonicContact ND1-OE1 3.51Å; H142-E146 IonicContact ND1-OE2 2.82Å; H142-E146 PolarHBondContact ND1-OE2 3.18Å; T143-E146 WeakPolarHBondContact O-CB 3.33Å; T143-E146 PolarHBondContact O-N 3.27Å; T143-E146 PolarHBondContact OG1-N 2.96Å; E146-S148 VanDerWaalsContact C-N 3.33Å; E146-S148 PolarHBondContact O-N 2.8Å; E146-Q149 PolarHBondContact O-N 2.98Å; E146-I150 HydrophobicContact CG-CD1 4.27Å; E146-I150 VanDerWaalsContact O-CG1 3.28Å; E146-I150 WeakPolarHBondContact O-CG1 3.47Å; E146-I150 PolarHBondContact O-N 2.88Å
147Q73.1Confident67Low107 Ų107100.2 Ų100.250%0.554%0.544SS..Hα-helixtrans-60.9-40.9174.1-69.3-178.4-13.500112.5H142 T143 E145 Q149 I150 T151H142-Q147 HydrophobicContact CB-CG 4Å; T143-Q147 PolarHBondContact O-N 3.33Å; E145-Q147 PolarHBondContact O-N 3.14Å; Q147-Q149 VanDerWaalsContact C-N 3.35Å; Q147-I150 PolarHBondContact O-N 3.45Å; Q147-T151 WeakPolarHBondContact O-CB 3.35Å; Q147-T151 PolarHBondContact O-N 3.19Å; Q147-T151 PolarHBondContact O-OG1 3.36Å
148S73.9Confident68.7Low70 Ų7099 Ų9949%0.4952%0.52SS..Hα-helixtrans-65.9-36.5176.875.40000112.6K144 E145 E146 S152K144-S148 PolarHBondContact O-N 3.17Å; E145-S148 PolarHBondContact O-N 3.5Å; E145-S148 PolarHBondContact O-OG 3.12Å; E146-S148 VanDerWaalsContact C-N 3.33Å; E146-S148 PolarHBondContact O-N 2.8Å; S148-S152 WeakPolarHBondContact O-CB 3.43Å; S148-S152 PolarHBondContact O-N 2.96Å; S148-S152 PolarHBondContact O-OG 3.08Å
149Q73.7Confident70.5Confident128 Ų12893.3 Ų93.360%0.59849%0.492SS*.Hα-helixtrans-70.4-38.9176.1-73179.67.500112.6E145 E146 Q147 S152 Q153E145-Q149 WeakPolarHBondContact O-CG 3.44Å; E145-Q149 PolarHBondContact O-N 3.27Å; E146-Q149 PolarHBondContact O-N 2.98Å; Q147-Q149 VanDerWaalsContact C-N 3.35Å; Q149-S152 PolarHBondContact O-N 3.1Å; Q149-S152 PolarHBondContact O-OG 3.14Å; Q149-Q153 WeakPolarHBondContact O-CB 3.31Å; Q149-Q153 PolarHBondContact O-N 3.38Å
150I74Confident72.4Confident25 Ų2587 Ų8713%0.12846%0.463CS..Hα-helixtrans-63.5-47.4174.6-67.3166.6000109.5F132 E146 Q147 S152 Q153 V154F132-I150 HydrophobicContact CB-CG2 4.28Å; F132-I150 HydrophobicContact CD1-CG2 3.68Å; F132-I150 HydrophobicContact CE1-CG2 4.44Å; F132-I150 HydrophobicContact CG-CG2 4.33Å; E146-I150 HydrophobicContact CG-CD1 4.27Å; E146-I150 VanDerWaalsContact O-CG1 3.28Å; E146-I150 WeakPolarHBondContact O-CG1 3.47Å; E146-I150 PolarHBondContact O-N 2.88Å; Q147-I150 PolarHBondContact O-N 3.45Å; I150-S152 VanDerWaalsContact C-N 3.35Å; I150-S152 PolarHBondContact O-N 2.86Å; I150-Q153 PolarHBondContact O-N 2.99Å; I150-V154 HydrophobicContact CG2-CG2 4.43Å; I150-V154 WeakPolarHBondContact O-CG2 3.4Å; I150-V154 PolarHBondContact O-N 3.15Å
151T75.2Confident74.5Confident81 Ų8181.9 Ų81.950%0.49743%0.426SS..Hα-helixtrans-57.9-48.9178.3-53.20000110.5Q147 Q153 V154 T155Q147-T151 WeakPolarHBondContact O-CB 3.35Å; Q147-T151 PolarHBondContact O-N 3.19Å; Q147-T151 PolarHBondContact O-OG1 3.36Å; T151-Q153 VanDerWaalsContact C-N 3.3Å; T151-Q153 PolarHBondContact O-N 3.05Å; T151-V154 PolarHBondContact O-N 2.99Å; T151-T155 HydrophobicContact CG2-CG2 4.2Å; T151-T155 WeakPolarHBondContact O-CB 3.37Å; T151-T155 WeakPolarHBondContact O-CG2 3.49Å; T151-T155 PolarHBondContact O-N 2.91Å; T151-T155 PolarHBondContact O-OG1 3.19Å
152S76.6Confident76Confident67 Ų6780 Ų8047%0.46941%0.412SS..Hα-helixtrans-66.1-30-179.569.90000113.5S148 Q149 I150 G156S148-S152 WeakPolarHBondContact O-CB 3.43Å; S148-S152 PolarHBondContact O-N 2.96Å; S148-S152 PolarHBondContact O-OG 3.08Å; Q149-S152 PolarHBondContact O-N 3.1Å; Q149-S152 PolarHBondContact O-OG 3.14Å; I150-S152 VanDerWaalsContact C-N 3.35Å; I150-S152 PolarHBondContact O-N 2.86Å; S152-G156 WeakPolarHBondContact O-CA 3.38Å; S152-G156 PolarHBondContact O-N 3.27Å
153Q75.3Confident77.2Confident17 Ų1782.9 Ų82.98%0.07943%0.425CS..Hα-helixtrans-70.1-41.8173.2-170.9-173-7.600111.7Q149 I150 T151 G159 R162Q149-Q153 WeakPolarHBondContact O-CB 3.31Å; Q149-Q153 PolarHBondContact O-N 3.38Å; I150-Q153 PolarHBondContact O-N 2.99Å; T151-Q153 VanDerWaalsContact C-N 3.3Å; T151-Q153 PolarHBondContact O-N 3.05Å; Q153-G159 PolarHBondContact NE2-O 3.29Å; Q153-G159 VanDerWaalsContact NE2-O 3.15Å; Q153-R162 HydrophobicContact CG-CG 4.35Å; Q153-R162 VanDerWaalsContact OE1-CD 3.31Å
154V74.4Confident78.1Confident55 Ų5582.2 Ų82.233%0.33343%0.433SS..Hα-helixtrans-74.4-41.7-177.8175.30000111.6A128 F132 I150 T151A128-V154 HydrophobicContact CB-CG2 4.42Å; F132-V154 HydrophobicContact CE1-CG2 3.81Å; F132-V154 HydrophobicContact CZ-CG2 4.49Å; I150-V154 HydrophobicContact CG2-CG2 4.43Å; I150-V154 WeakPolarHBondContact O-CG2 3.4Å; I150-V154 PolarHBondContact O-N 3.15Å; T151-V154 PolarHBondContact O-N 2.99Å
155T77.1Confident79Confident110 Ų11074.5 Ų74.568%0.67540%0.401SS*.Hα-helixtrans-92-9.9-178.567.90000113.4T151T151-T155 HydrophobicContact CG2-CG2 4.2Å; T151-T155 WeakPolarHBondContact O-CB 3.37Å; T151-T155 WeakPolarHBondContact O-CG2 3.49Å; T151-T155 PolarHBondContact O-N 2.91Å; T151-T155 PolarHBondContact O-OG1 3.19Å
156G74.3Confident80Confident34 Ų3476 Ų7635%0.35141%0.405SS..SBendtrans-74.5162.3-176.800000113.2S152 I158S152-G156 WeakPolarHBondContact O-CA 3.38Å; S152-G156 PolarHBondContact O-N 3.27Å; G156-I158 PolarHBondContact O-N 2.9Å
157Q75.8Confident81.1Confident191 Ų19175.9 Ų75.989%0.89340%0.402SS*.SBendtrans-66.6-18178.2-164.1-179.54.500113.1
158I84.2Confident82.1Confident47 Ų4782.5 Ų82.524%0.24142%0.422CS..  trans-123.795.5-179.6-58.6165.1000108.7G156 W160 R161 M208 I265G156-I158 PolarHBondContact O-N 2.9Å; I158-W160 HydrophobicContact CG1-CZ2 4.43Å; I158-W160 HydrophobicContact CG2-CD2 4.17Å; I158-W160 HydrophobicContact CG2-CG 4.45Å; I158-W160 HydrophobicContact CG2-CZ2 4.02Å; I158-R161 HydrophobicContact CG2-CB 4.28Å; I158-M208 HydrophobicContact CB-CE 4.31Å; I158-M208 HydrophobicContact CD1-CE 4Å; I158-M208 HydrophobicContact CG2-CE 3.82Å; I158-I265 HydrophobicContact CD1-CD1 3.44Å; I158-I265 VanDerWaalsContact CD1-CD1 3.44Å
159G82.3Confident83.1Confident5 Ų587.1 Ų87.15%0.05243%0.429CS..  trans-78.9-28.6178.400000114.2E125 Q153 R161E125-G159 WeakPolarHBondContact OE2-CA 3.5Å; E125-G159 VanDerWaalsContact OE2-O 3.1Å; Q153-G159 PolarHBondContact NE2-O 3.29Å; Q153-G159 VanDerWaalsContact NE2-O 3.15Å; G159-R161 PolarHBondContact O-N 3.45Å
160W86.6Confident84.3Confident54 Ų5482.1 Ų82.121%0.20541%0.406CS..SBendtrans-88.6-1.8-163.257.477.4000114.5E125 I158 Q249 C250 I265 P267E125-W160 WeakPolarHBondContact OE2-CA 3.41Å; E125-W160 WeakPolarHBondContact OE2-CB 3.25Å; E125-W160 PolarHBondContact OE2-N 3.45Å; I158-W160 HydrophobicContact CG1-CZ2 4.43Å; I158-W160 HydrophobicContact CG2-CD2 4.17Å; I158-W160 HydrophobicContact CG2-CG 4.45Å; I158-W160 HydrophobicContact CG2-CZ2 4.02Å; W160-Q249 HydrophobicContact CD2-CG 4.41Å; W160-Q249 HydrophobicContact CE3-CG 3.85Å; W160-Q249 HydrophobicContact CZ3-CG 4.18Å; W160-C250 HydrophobicContact CD2-CB 4.09Å; W160-C250 VanDerWaalsContact CE2-CB 3.45Å; W160-C250 HydrophobicContact CG-CB 4.33Å; W160-C250 VanDerWaalsContact CZ2-CA 3.45Å; W160-C250 HydrophobicContact CZ2-CB 3.82Å; W160-C250 VanDerWaalsContact NE1-CB 3.27Å; W160-I265 PolarHBondContact NE1-O 3.49Å; W160-P267 HydrophobicContact CB-CG 4.19Å; W160-P267 HydrophobicContact CG-CG 4.21Å
161R89.4Confident85.4Confident6 Ų683.4 Ų83.42%0.02341%0.412CS..SBendtrans-143.5130179-169.6-174.3-179.368.88.9110.6I158 G159 I165 L205 G207 M208 I265 P266 D268I158-R161 HydrophobicContact CG2-CB 4.28Å; G159-R161 PolarHBondContact O-N 3.45Å; R161-I165 HydrophobicContact CG-CD1 4.18Å; R161-L205 PolarHBondContact NH2-O 3.12Å; R161-G207 VanDerWaalsContact CZ-O 3.26Å; R161-G207 PolarHBondContact NE-O 2.71Å; R161-G207 PolarHBondContact NH2-O 3.12Å; R161-M208 HydrophobicContact CB-CE 4.1Å; R161-M208 HydrophobicContact CB-SD 4.1Å; R161-M208 VanDerWaalsContact CD-SD 3.55Å; R161-M208 HydrophobicContact CG-CE 4.3Å; R161-M208 HydrophobicContact CG-SD 3.66Å; R161-I265 HydrophobicContact CB-CG2 4.4Å; R161-P266 WeakPolarHBondContact CD-O 3.47Å; R161-P266 PolarHBondContact NH1-O 3.48Å; R161-D268 IonicContact NH1-OD1 2.76Å; R161-D268 PolarHBondContact NH1-OD1 2.82Å
162R84.3Confident86.4Confident136 Ų13679.5 Ų79.551%0.51339%0.388SS..  trans-83.6143.5177.9-71.1-175.6-74.8176.5-2.9111.8Q153 I165 M208Q153-R162 HydrophobicContact CG-CG 4.35Å; Q153-R162 VanDerWaalsContact OE1-CD 3.31Å; R162-I165 HydrophobicContact CB-CD1 4.24Å; R162-I165 HydrophobicContact CB-CG1 4.33Å; R162-I165 VanDerWaalsContact O-CD1 3.28Å; R162-I165 WeakPolarHBondContact O-CD1 3.37Å; R162-I165 WeakPolarHBondContact O-CG1 3.32Å; R162-M208 VanDerWaalsContact O-SD 3.41Å
163E85.7Confident87.4Confident125 Ų12578.9 Ų78.958%0.58438%0.377SS*.THydrogen-bonded Turntrans-69.6158.3167.6-60.8-153.8135.100111.1I165 M208 K409E163-I165 VanDerWaalsContact C-N 3.31Å; E163-I165 PolarHBondContact O-N 2.96Å; E163-M208 HydrophobicContact CG-CG 3.98Å; E163-M208 HydrophobicContact CG-SD 4.23Å; E163-K409 IonicContact OE1-NZ 3.68Å; E163-K409 PolarHBondContact OE1-NZ 3.32Å; E163-K409 IonicContact OE2-NZ 3.56Å
164G86.9Confident88.4Confident61 Ų6178.2 Ų78.263%0.62937%0.374SS*.THydrogen-bonded Turntrans78.92.1173.400000116.3K166G164-K166 PolarHBondContact O-N 3.34Å
165I91.5Very high89.5Confident26 Ų2676 Ų7613%0.13336%0.36CS..  trans-57.4133.1173.4-62.4172.3000109.6R161 R162 E163 Y167 L205 S206 G207 D268R161-I165 HydrophobicContact CG-CD1 4.18Å; R162-I165 HydrophobicContact CB-CD1 4.24Å; R162-I165 HydrophobicContact CB-CG1 4.33Å; R162-I165 VanDerWaalsContact O-CD1 3.28Å; R162-I165 WeakPolarHBondContact O-CD1 3.37Å; R162-I165 WeakPolarHBondContact O-CG1 3.32Å; E163-I165 VanDerWaalsContact C-N 3.31Å; E163-I165 PolarHBondContact O-N 2.96Å; I165-Y167 HydrophobicContact CG2-CD2 3.83Å; I165-Y167 HydrophobicContact CG2-CE2 3.38Å; I165-L205 WeakPolarHBondContact CG2-O 3.38Å; I165-S206 CarbonylContact O-C 3.53Å; I165-S206 WeakPolarHBondContact O-CA 3.36Å; I165-G207 PolarHBondContact O-N 3.18Å; I165-D268 HydrophobicContact CD1-CB 3.8Å
166K94.1Very high90.5Very high171 Ų17170.8 Ų70.874%0.74333%0.328SS*.  trans-134131.1178.7-72.5-177.5-179.7179.30110.6G164G164-K166 PolarHBondContact O-N 3.34Å
167Y95.5Very high91.7Very high77 Ų7770.6 Ų70.630%0.30232%0.319SS..  trans-118.9146.9171.7-73.5-85.5000110.2I165 R169 Y204 L205 S206 D268I165-Y167 HydrophobicContact CG2-CD2 3.83Å; I165-Y167 HydrophobicContact CG2-CE2 3.38Å; Y167-R169 VanDerWaalsContact CB-O 3.32Å; Y167-R169 WeakPolarHBondContact CB-O 3.36Å; Y167-R169 PolarHBondContact O-N 3.02Å; Y167-Y204 VanDerWaalsContact CD2-C 3.44Å; Y167-Y204 AromaticContact CE1-CD1 3.68Å; Y167-Y204 HydrophobicContact CE1-CD1 3.68Å; Y167-Y204 HydrophobicContact CE1-CG 4.15Å; Y167-Y204 AromaticContact CZ-CD1 3.8Å; Y167-L205 VanDerWaalsContact CD2-C 3.46Å; Y167-L205 VanDerWaalsContact CD2-O 3.28Å; Y167-L205 WeakPolarHBondContact CD2-O 3.04Å; Y167-L205 WeakPolarHBondContact CE2-O 3.43Å; Y167-S206 PolarHBondContact N-OG 3.39Å; Y167-S206 PolarHBondContact O-OG 3.43Å; Y167-D268 WeakPolarHBondContact CE2-OD1 3.07Å; Y167-D268 VanDerWaalsContact OH-CG 3.28Å; Y167-D268 PolarHBondContact OH-OD1 3.31Å; Y167-D268 PolarHBondContact OH-OD2 2.9Å
168R94.3Very high92.7Very high246 Ų24661.5 Ų61.593%0.92828%0.276SS*.SBendtrans-64.3-31.5172.9-175.8177.8176.21780.4111.8
169R95Very high93.4Very high167 Ų16760.3 Ų60.363%0.6327%0.272SS*.SBendtrans-138.3135.8175.7-69.9-174.7176.8175.3-1.2108.8Y167 E171Y167-R169 VanDerWaalsContact CB-O 3.32Å; Y167-R169 WeakPolarHBondContact CB-O 3.36Å; Y167-R169 PolarHBondContact O-N 3.02Å; R169-E171 HydrophobicContact CB-CG 4.23Å
170N97.2Very high94.1Very high24 Ų2460 Ų6013%0.12827%0.27CS..EExtended strand (participates in β ladder)trans-87.3116.9176.4-62.2-53000109.1Y204 L205 S206 V417 I418N170-Y204 CarbonylContact C-O 3.53Å; N170-Y204 VanDerWaalsContact CA-O 3.32Å; N170-Y204 WeakPolarHBondContact CA-O 3.19Å; N170-L205 HydrophobicContact CB-CD2 3.82Å; N170-S206 WeakPolarHBondContact OD1-CB 3.46Å; N170-S206 PolarHBondContact OD1-N 3.42Å; N170-S206 PolarHBondContact OD1-OG 2.66Å; N170-V417 HydrophobicContact CB-CG1 4.49Å; N170-V417 HydrophobicContact CB-CG2 3.95Å; N170-V417 WeakPolarHBondContact O-CA 3.31Å; N170-I418 PolarHBondContact O-N 3.06Å
171E97Very high94.5Very high51 Ų5158.5 Ų58.524%0.23827%0.265CS..EExtended strand (participates in β ladder)trans-134.7139.8-175.1-56.4-172.5144.200111.4R169 F173 Y204 I418R169-E171 HydrophobicContact CB-CG 4.23Å; E171-F173 HydrophobicContact CB-CE2 3.76Å; E171-F173 HydrophobicContact CB-CZ 4.19Å; E171-Y204 PolarHBondContact N-O 3.32Å; E171-Y204 PolarHBondContact O-N 3Å; E171-I418 CarbonylContact C-O 3.41Å; E171-I418 WeakPolarHBondContact CA-O 3.48Å; E171-I418 HydrophobicContact CG-CB 4.27Å
172L96.3Very high94.9Very high0 Ų058.3 Ų58.30%027%0.265CS..EExtended strand (participates in β ladder)trans-127.7131.8174.9-70.4-179.3000110.6M201 K202 S203 L205 L403 V405 V417 I418 K419 W420L172-M201 HydrophobicContact CD1-CE 3.73Å; L172-M201 HydrophobicContact CD2-CE 3.24Å; L172-M201 HydrophobicContact CG-CE 4Å; L172-K202 WeakPolarHBondContact CA-O 3.36Å; L172-S203 WeakPolarHBondContact CD2-OG 3.37Å; L172-L205 HydrophobicContact CD1-CD1 4.09Å; L172-L205 HydrophobicContact CD1-CD2 4.46Å; L172-L205 HydrophobicContact CD2-CD1 3.65Å; L172-L205 HydrophobicContact CD2-CD2 4.02Å; L172-L205 HydrophobicContact CD2-CG 3.67Å; L172-L205 HydrophobicContact CG-CD1 4.1Å; L172-L205 HydrophobicContact CG-CD2 3.95Å; L172-L205 HydrophobicContact CG-CG 4.15Å; L172-L403 HydrophobicContact CB-CD2 4.2Å; L172-L403 HydrophobicContact CD1-CD2 3.66Å; L172-L403 HydrophobicContact CD1-CG 4.3Å; L172-V405 HydrophobicContact CD1-CG2 3.41Å; L172-V405 VanDerWaalsContact CD1-CG2 3.41Å; L172-V417 HydrophobicContact CD1-CG1 4.12Å; L172-V417 HydrophobicContact CG-CG1 3.99Å; L172-I418 PolarHBondContact N-O 3.08Å; L172-K419 HydrophobicContact CB-CG 4.46Å; L172-K419 CarbonylContact O-C 3.55Å; L172-K419 WeakPolarHBondContact O-CA 3.24Å; L172-W420 PolarHBondContact O-N 3.1Å
173F97.6Very high95.4Very high54 Ų5453.9 Ų53.924%0.23725%0.251CS..EExtended strand (participates in β ladder)trans-121.1129.8173.8-52.1-98.7000109.5E171 M201 K202 Y204 W420E171-F173 HydrophobicContact CB-CE2 3.76Å; E171-F173 HydrophobicContact CB-CZ 4.19Å; F173-M201 CarbonylContact O-C 3.59Å; F173-M201 WeakPolarHBondContact O-CA 3.44Å; F173-K202 HydrophobicContact CB-CB 4.14Å; F173-K202 HydrophobicContact CD2-CB 4.26Å; F173-K202 PolarHBondContact N-O 3.41Å; F173-K202 PolarHBondContact O-N 3.28Å; F173-Y204 HydrophobicContact CD2-CD2 4.16Å; F173-Y204 HydrophobicContact CD2-CE2 4.08Å; F173-Y204 AromaticContact CE2-CD2 3.87Å; F173-Y204 HydrophobicContact CE2-CD2 3.87Å; F173-Y204 AromaticContact CE2-CE2 3.95Å; F173-Y204 HydrophobicContact CE2-CE2 3.95Å; F173-W420 HydrophobicContact CD1-CB 3.6Å; F173-W420 AromaticContact CD1-CD1 3.56Å; F173-W420 AromaticContact CD1-CG 3.72Å; F173-W420 HydrophobicContact CD1-CG 3.72Å; F173-W420 HydrophobicContact CE1-CB 4.16Å; F173-W420 AromaticContact CE1-CD1 3.22Å; F173-W420 AromaticContact CE1-CG 3.74Å; F173-W420 HydrophobicContact CE1-CG 3.74Å; F173-W420 AromaticContact CE1-NE1 3.78Å; F173-W420 HydrophobicContact CG-CB 4.36Å; F173-W420 AromaticContact CZ-CD1 3.9Å
174L97.4Very high95.8Very high3 Ų348.1 Ų48.12%0.01622%0.224CC..EExtended strand (participates in β ladder)trans-115.5126.2175.9-69.4-178.5000110.9V199 M201 F213 V400 L403 W420 V421 R422L174-V199 HydrophobicContact CD2-CG1 4.13Å; L174-M201 HydrophobicContact CD2-CB 3.74Å; L174-M201 HydrophobicContact CD2-CG 3.69Å; L174-M201 HydrophobicContact CD2-SD 3.97Å; L174-F213 HydrophobicContact CD1-CD2 4.09Å; L174-F213 HydrophobicContact CD1-CE2 3.96Å; L174-V400 HydrophobicContact CD1-CG1 4.36Å; L174-V400 HydrophobicContact CD1-CG2 4.46Å; L174-L403 HydrophobicContact CD1-CD2 3.75Å; L174-L403 HydrophobicContact CD1-CG 4.49Å; L174-L403 HydrophobicContact CG-CD2 4.15Å; L174-W420 PolarHBondContact N-O 3.05Å; L174-V421 HydrophobicContact CB-CB 4.39Å; L174-V421 HydrophobicContact CB-CG2 4.2Å; L174-V421 CarbonylContact O-C 3.57Å; L174-V421 VanDerWaalsContact O-CA 3.3Å; L174-V421 WeakPolarHBondContact O-CA 3.43Å; L174-R422 PolarHBondContact O-N 3.45Å
175D97.8Very high96Very high9 Ų945.5 Ų45.55%0.04820%0.196CC..EExtended strand (participates in β ladder)trans-112.9107.5175.7-62.7-14000108.9L177 V199 V200 R422D175-L177 HydrophobicContact CB-CD2 4.19Å; D175-L177 HydrophobicContact CB-CG 4.13Å; D175-L177 PolarHBondContact O-N 3.25Å; D175-V199 WeakPolarHBondContact O-CA 3.25Å; D175-V200 HydrophobicContact CB-CB 4.21Å; D175-V200 PolarHBondContact N-O 2.92Å; D175-V200 PolarHBondContact O-N 3.32Å; D175-R422 HydrophobicContact CB-CG 4.37Å; D175-R422 WeakPolarHBondContact OD1-CD 3.19Å; D175-R422 WeakPolarHBondContact OD1-CG 3.4Å; D175-R422 IonicContact OD1-CZ 2.66Å; D175-R422 IonicContact OD1-NE 3.33Å; D175-R422 PolarHBondContact OD1-NE 3.24Å; D175-R422 IonicContact OD1-NH2 2.71Å; D175-R422 IonicContact OD2-CZ 3.24Å; D175-R422 VanDerWaalsContact OD2-CZ 3.32Å; D175-R422 IonicContact OD2-NE 2.78Å; D175-R422 PolarHBondContact OD2-NE 2.94Å; D175-R422 IonicContact OD2-NH2 2.69Å; D175-R422 PolarHBondContact OD2-NH2 3.46Å
176V97.9Very high95.6Very high0 Ų046.6 Ų46.60%021%0.205CC..EExtended strand (participates in β ladder)trans-87.4102.7170.5-178.30000107.6E178 Y276 A394 L398 V400 V421 R422 Y423 I424V176-E178 HydrophobicContact CG1-CG 4.43Å; V176-Y276 VanDerWaalsContact CG1-OH 3.24Å; V176-Y276 WeakPolarHBondContact CG1-OH 3.46Å; V176-A394 HydrophobicContact CG1-CB 4.38Å; V176-L398 HydrophobicContact CG1-CD2 3.91Å; V176-L398 HydrophobicContact CG2-CD2 4.05Å; V176-V400 HydrophobicContact CG2-CG2 4.23Å; V176-V421 HydrophobicContact CG2-CG2 4.48Å; V176-R422 PolarHBondContact N-O 2.95Å; V176-Y423 HydrophobicContact CB-CD1 3.58Å; V176-Y423 HydrophobicContact CB-CE1 4Å; V176-Y423 HydrophobicContact CB-CG 4.38Å; V176-Y423 HydrophobicContact CG1-CD1 3.86Å; V176-Y423 HydrophobicContact CG1-CE1 4.27Å; V176-Y423 HydrophobicContact CG2-CD1 3.86Å; V176-Y423 HydrophobicContact CG2-CE1 3.73Å; V176-I424 PolarHBondContact O-N 3.22Å
177L98.1Very high95.2Very high29 Ų2946 Ų4615%0.15221%0.205CC..EExtended strand (participates in β ladder)trans-106.8118.4-176.1-56.9179.3000109.7D175 G197 R198 V200 I424D175-L177 HydrophobicContact CB-CD2 4.19Å; D175-L177 HydrophobicContact CB-CG 4.13Å; D175-L177 PolarHBondContact O-N 3.25Å; L177-G197 CarbonylContact O-C 3.58Å; L177-G197 WeakPolarHBondContact O-CA 3.28Å; L177-R198 HydrophobicContact CB-CG 3.95Å; L177-R198 PolarHBondContact N-O 3.42Å; L177-R198 PolarHBondContact O-N 3.02Å; L177-V200 HydrophobicContact CD1-CG2 4.05Å; L177-I424 WeakPolarHBondContact CA-O 3.28Å; L177-I424 HydrophobicContact CD2-CB 3.8Å; L177-I424 HydrophobicContact CD2-CD1 3.88Å; L177-I424 HydrophobicContact CD2-CG1 4.15Å
178E97.8Very high94.5Very high0 Ų042.9 Ų42.90%020%0.197CC..EExtended strand (participates in β ladder)trans-122.3135.1-176.5-75.2-171169.700111.8V176 V195 Y276 A394 P395 S396 I424 G425 R426V176-E178 HydrophobicContact CG1-CG 4.43Å; E178-V195 HydrophobicContact CB-CG1 3.73Å; E178-V195 HydrophobicContact CG-CG1 3.78Å; E178-Y276 VanDerWaalsContact CD-OH 3.31Å; E178-Y276 HydrophobicContact CG-CE2 4.45Å; E178-Y276 VanDerWaalsContact CG-OH 3.27Å; E178-Y276 WeakPolarHBondContact CG-OH 3.18Å; E178-Y276 VanDerWaalsContact OE1-CE2 3.3Å; E178-Y276 WeakPolarHBondContact OE1-CE2 3.4Å; E178-Y276 PolarHBondContact OE1-OH 2.87Å; E178-A394 WeakPolarHBondContact OE2-CA 3.25Å; E178-A394 WeakPolarHBondContact OE2-CB 3.46Å; E178-P395 WeakPolarHBondContact OE2-CD 3.29Å; E178-S396 VanDerWaalsContact CD-OG 3.31Å; E178-S396 WeakPolarHBondContact OE1-CB 3.24Å; E178-S396 PolarHBondContact OE1-OG 2.79Å; E178-S396 PolarHBondContact OE2-N 2.89Å; E178-S396 PolarHBondContact OE2-OG 2.84Å; E178-I424 PolarHBondContact N-O 3.32Å; E178-G425 CarbonylContact O-C 3.59Å; E178-G425 WeakPolarHBondContact O-CA 3.39Å; E178-R426 VanDerWaalsContact O-CG 3.3Å; E178-R426 WeakPolarHBondContact O-CG 3.19Å; E178-R426 PolarHBondContact O-N 3.15Å
179S97.8Very high94.4Very high22 Ų2237.6 Ų37.615%0.15418%0.183CC..EExtended strand (participates in β ladder)trans-113.1116.9175.4-170.40000109.3V195 S196 R426 G428S179-V195 WeakPolarHBondContact O-CA 3.48Å; S179-S196 PolarHBondContact N-O 3.38Å; S179-S196 PolarHBondContact O-N 3.48Å; S179-R426 CarbonylContact C-O 3.58Å; S179-R426 WeakPolarHBondContact CA-O 3.37Å; S179-G428 WeakPolarHBondContact OG-CA 3.43Å; S179-G428 PolarHBondContact OG-N 2.59Å
180V97Very high94.3Very high0 Ų032.7 Ų32.70%017%0.171CC..EExtended strand (participates in β ladder)trans-87.7115.2179.1-169.60000109.3V195 L284 P395 R426 G428 Y430V180-V195 HydrophobicContact CG2-CG2 4.35Å; V180-L284 HydrophobicContact CG1-CD2 4.19Å; V180-P395 HydrophobicContact CG2-CB 3.42Å; V180-P395 VanDerWaalsContact CG2-CB 3.42Å; V180-P395 HydrophobicContact CG2-CG 3.29Å; V180-R426 PolarHBondContact N-O 2.9Å; V180-G428 PolarHBondContact O-N 2.85Å; V180-Y430 HydrophobicContact CB-CD2 4.33Å; V180-Y430 HydrophobicContact CG1-CD2 4.13Å; V180-Y430 HydrophobicContact CG1-CE2 3.99Å
181N96.8Very high94.1Very high21 Ų2135.5 Ų35.511%0.11219%0.186CC..EExtended strand (participates in β ladder)trans-98.9121.6170.5-60-55.4000108.3A193 H194 G428 I429N181-A193 CarbonylContact O-C 3.55Å; N181-A193 VanDerWaalsContact O-CA 3.28Å; N181-A193 WeakPolarHBondContact O-CA 3.21Å; N181-H194 WeakPolarHBondContact CB-CE1 3.33Å; N181-H194 PolarHBondContact N-O 2.85Å; N181-H194 PolarHBondContact ND2-CD2 3.39Å; N181-H194 PolarHBondContact ND2-NE2 2.82Å; N181-H194 PolarHBondContact O-N 2.84Å; N181-G428 WeakPolarHBondContact OD1-CA 3.28Å; N181-I429 CarbonylContact C-O 3.56Å; N181-I429 VanDerWaalsContact CA-O 3.24Å; N181-I429 WeakPolarHBondContact CA-O 3.39Å; N181-I429 PolarHBondContact OD1-N 2.79Å
182L96.3Very high94Very high3 Ų336 Ų362%0.01619%0.194CC..EExtended strand (participates in β ladder)trans-134131.9-179.5-178.971.6000109.5M184 V190 S192 A193 L284 I429 Y430 E431L182-M184 HydrophobicContact CD2-CB 4.44Å; L182-V190 HydrophobicContact CD1-CB 4.46Å; L182-V190 HydrophobicContact CD1-CG1 3.7Å; L182-V190 HydrophobicContact CD1-CG2 4.15Å; L182-S192 CarbonylContact C-O 3.6Å; L182-S192 WeakPolarHBondContact CA-O 3.42Å; L182-A193 HydrophobicContact CD1-CB 3.92Å; L182-L284 HydrophobicContact CD1-CD1 3.83Å; L182-L284 HydrophobicContact CD1-CD2 3.87Å; L182-L284 HydrophobicContact CD2-CD1 4.34Å; L182-L284 HydrophobicContact CD2-CD2 4.47Å; L182-I429 PolarHBondContact N-O 2.92Å; L182-I429 VanDerWaalsContact O-O 3.06Å; L182-Y430 HydrophobicContact CB-CD2 3.59Å; L182-Y430 HydrophobicContact CB-CE2 3.65Å; L182-Y430 HydrophobicContact CB-CG 4.09Å; L182-Y430 HydrophobicContact CD2-CD1 4.28Å; L182-Y430 HydrophobicContact CD2-CD2 4.24Å; L182-Y430 HydrophobicContact CD2-CE1 3.66Å; L182-Y430 HydrophobicContact CD2-CE2 3.6Å; L182-Y430 WeakPolarHBondContact CD2-OH 3.33Å; L182-Y430 HydrophobicContact CG-CE2 4.25Å; L182-E431 PolarHBondContact O-N 3.12Å
183L95.8Very high94Very high42 Ų4237 Ų3722%0.2220%0.203CC..EExtended strand (participates in β ladder)trans-119.8120.4161178.665.3000108.3L191 S192 E431 R433L183-L191 HydrophobicContact CD2-CB 4.38Å; L183-L191 HydrophobicContact CD2-CD1 4.33Å; L183-L191 HydrophobicContact CG-CB 4.28Å; L183-L191 HydrophobicContact CG-CD1 4.23Å; L183-L191 WeakPolarHBondContact O-CA 3.41Å; L183-L191 WeakPolarHBondContact O-CB 3.48Å; L183-L191 PolarHBondContact O-N 2.81Å; L183-S192 PolarHBondContact N-O 3.04Å; L183-S192 PolarHBondContact O-N 2.8Å; L183-S192 VanDerWaalsContact O-N 3.14Å; L183-E431 CarbonylContact C-O 3.52Å; L183-E431 WeakPolarHBondContact CA-O 3.23Å; L183-E431 HydrophobicContact CD1-CB 4.3Å; L183-R433 HydrophobicContact CD1-CG 4.15Å
184M94.2Very high93.9Very high4 Ų436.9 Ų36.92%0.0220%0.203CC..EExtended strand (participates in β ladder)trans-116.1144179.6-164.8166.864.200111L182 Q189 R287 V288 E431 T432 R433L182-M184 HydrophobicContact CD2-CB 4.44Å; M184-Q189 VanDerWaalsContact CG-O 3.3Å; M184-Q189 WeakPolarHBondContact CG-O 3.45Å; M184-R287 HydrophobicContact CE-CG 4.27Å; M184-R287 HydrophobicContact SD-CG 4.44Å; M184-V288 WeakPolarHBondContact CE-O 3.02Å; M184-E431 PolarHBondContact N-O 2.62Å; M184-T432 HydrophobicContact CB-CG2 4.09Å; M184-T432 HydrophobicContact CE-CG2 3.56Å; M184-T432 WeakPolarHBondContact CE-OG1 3.43Å; M184-T432 HydrophobicContact CG-CG2 4.45Å; M184-R433 PolarHBondContact O-N 3.31Å
185S91.6Very high93.9Very high6 Ų636.7 Ų36.74%0.04220%0.202CC..  trans-70.1163.4172.162.40000111.5Q187 G188 Q189S185-Q187 PolarHBondContact O-N 2.7Å; S185-G188 PolarHBondContact O-N 2.86Å; S185-G188 PolarHBondContact OG-N 2.78Å; S185-Q189 PolarHBondContact N-O 3.44Å; S185-Q189 WeakPolarHBondContact OG-CA 3.23Å; S185-Q189 WeakPolarHBondContact OG-CB 3.2Å; S185-Q189 PolarHBondContact OG-N 2.92Å; S185-Q189 PolarHBondContact OG-O 2.82Å
186P83.2Confident93.9Very high49 Ų4937.8 Ų37.832%0.31821%0.21SC..THydrogen-bonded Turntrans-59.4-29.8174.6-21.333.1000113.5G188 R433P186-G188 PolarHBondContact O-N 2.67Å; P186-R433 VanDerWaalsContact CA-O 3.23Å; P186-R433 WeakPolarHBondContact CA-O 3.4Å; P186-R433 HydrophobicContact CG-CB 3.93Å
187Q84Confident93.8Very high158 Ų15837.9 Ų37.974%0.73821%0.211SC*.THydrogen-bonded Turntrans-78.4-3.2178-61.574.518.900112.7S185S185-Q187 PolarHBondContact O-N 2.7Å
188G82.6Confident93.8Very high13 Ų1340.6 Ų40.613%0.13422%0.219CC..SBendtrans82.814.8179.300000114.5S185 P186 R287S185-G188 PolarHBondContact O-N 2.86Å; S185-G188 PolarHBondContact OG-N 2.78Å; P186-G188 PolarHBondContact O-N 2.67Å; G188-R287 PolarHBondContact O-NH2 2.87Å
189Q90.9Very high93.8Very high135 Ų13540.6 Ų40.663%0.63122%0.219SC*.  trans-81.3131.5167.6-178.1-174.6-4.600109.9M184 S185 L191M184-Q189 VanDerWaalsContact CG-O 3.3Å; M184-Q189 WeakPolarHBondContact CG-O 3.45Å; S185-Q189 PolarHBondContact N-O 3.44Å; S185-Q189 WeakPolarHBondContact OG-CA 3.23Å; S185-Q189 WeakPolarHBondContact OG-CB 3.2Å; S185-Q189 PolarHBondContact OG-N 2.92Å; S185-Q189 PolarHBondContact OG-O 2.82Å; Q189-L191 PolarHBondContact O-N 3.29Å
190V93.2Very high93.8Very high63 Ų6339.9 Ų39.938%0.38221%0.214SC..EExtended strand (participates in β ladder)trans-68.5119.3174.8178.80000109.5L182 A193 L284L182-V190 HydrophobicContact CD1-CB 4.46Å; L182-V190 HydrophobicContact CD1-CG1 3.7Å; L182-V190 HydrophobicContact CD1-CG2 4.15Å; V190-A193 HydrophobicContact CG1-CB 3.71Å; V190-L284 HydrophobicContact CG2-CD1 3.67Å
191L93.9Very high93.8Very high84 Ų8439.9 Ų39.944%0.4421%0.214SC..EExtended strand (participates in β ladder)trans-90.9-38.3177.3-60.7177000111.5L183 Q189L183-L191 HydrophobicContact CD2-CB 4.38Å; L183-L191 HydrophobicContact CD2-CD1 4.33Å; L183-L191 HydrophobicContact CG-CB 4.28Å; L183-L191 HydrophobicContact CG-CD1 4.23Å; L183-L191 WeakPolarHBondContact O-CA 3.41Å; L183-L191 WeakPolarHBondContact O-CB 3.48Å; L183-L191 PolarHBondContact O-N 2.81Å; Q189-L191 PolarHBondContact O-N 3.29Å
192S94.8Very high93.8Very high60 Ų6041.4 Ų41.442%0.4222%0.22SC..EExtended strand (participates in β ladder)trans-151.3132.4175.4165.20000108.9L182 L183L182-S192 CarbonylContact C-O 3.6Å; L182-S192 WeakPolarHBondContact CA-O 3.42Å; L183-S192 PolarHBondContact N-O 3.04Å; L183-S192 PolarHBondContact O-N 2.8Å; L183-S192 VanDerWaalsContact O-N 3.14Å
193A95.2Very high93.8Very high23 Ų2341.2 Ų41.219%0.1922%0.219CC..EExtended strand (participates in β ladder)trans-140.4130.9172.500000109.7N181 L182 V190 I282 L284N181-A193 CarbonylContact O-C 3.55Å; N181-A193 VanDerWaalsContact O-CA 3.28Å; N181-A193 WeakPolarHBondContact O-CA 3.21Å; L182-A193 HydrophobicContact CD1-CB 3.92Å; V190-A193 HydrophobicContact CG1-CB 3.71Å; A193-I282 HydrophobicContact CB-CD1 4.23Å; A193-L284 HydrophobicContact CB-CD2 4.43Å
194H95.9Very high93.9Very high50 Ų5043 Ų4323%0.23122%0.224CC..EExtended strand (participates in β ladder)trans-151.3150.8168.869-85.9000110.6N181 T278 T279 I282N181-H194 WeakPolarHBondContact CB-CE1 3.33Å; N181-H194 PolarHBondContact N-O 2.85Å; N181-H194 PolarHBondContact ND2-CD2 3.39Å; N181-H194 PolarHBondContact ND2-NE2 2.82Å; N181-H194 PolarHBondContact O-N 2.84Å; H194-T278 CarbonylContact C-O 3.52Å; H194-T278 WeakPolarHBondContact CA-O 3.42Å; H194-T279 HydrophobicContact CB-CG2 3.82Å; H194-I282 VanDerWaalsContact CA-CD1 3.47Å
195V97.3Very high94Very high0 Ų042.9 Ų42.90%022%0.223CC..EExtended strand (participates in β ladder)trans-104.9124.9173176.40000108.4E178 S179 V180 R277 T278 I282 P395E178-V195 HydrophobicContact CB-CG1 3.73Å; E178-V195 HydrophobicContact CG-CG1 3.78Å; S179-V195 WeakPolarHBondContact O-CA 3.48Å; V180-V195 HydrophobicContact CG2-CG2 4.35Å; V195-R277 WeakPolarHBondContact O-CA 3.49Å; V195-T278 PolarHBondContact N-O 2.93Å; V195-T278 PolarHBondContact O-N 2.93Å; V195-I282 HydrophobicContact CG2-CB 4.34Å; V195-I282 HydrophobicContact CG2-CD1 4.07Å; V195-I282 HydrophobicContact CG2-CG1 3.92Å; V195-I282 HydrophobicContact CG2-CG2 3.49Å; V195-I282 VanDerWaalsContact CG2-CG2 3.49Å; V195-P395 HydrophobicContact CG2-CB 4.01Å
196S97.4Very high94.2Very high31 Ų3143 Ų4322%0.21722%0.224CC..EExtended strand (participates in β ladder)trans-96.2108.3164.8-65.20000108.5S179S179-S196 PolarHBondContact N-O 3.38Å; S179-S196 PolarHBondContact O-N 3.48Å
197G97Very high94.7Very high2 Ų241.1 Ų41.12%0.02121%0.213CC..EExtended strand (participates in β ladder)trans-107.6153.7-179.800000112.7L177 R275 Y276L177-G197 CarbonylContact O-C 3.58Å; L177-G197 WeakPolarHBondContact O-CA 3.28Å; G197-R275 CarbonylContact O-C 3.56Å; G197-R275 WeakPolarHBondContact O-CA 3.42Å; G197-R275 VanDerWaalsContact O-CG 3.24Å; G197-R275 WeakPolarHBondContact O-CG 3.3Å; G197-Y276 PolarHBondContact N-O 3.22Å; G197-Y276 PolarHBondContact O-N 2.83Å; G197-Y276 VanDerWaalsContact O-O 3.11Å
198R97.4Very high95.2Very high86 Ų8634.8 Ų34.833%0.32518%0.184SC..EExtended strand (participates in β ladder)trans-144.5148.1167.861.7174.8178.8-1796.7110.7L177 V200 E272 M274 R275L177-R198 HydrophobicContact CB-CG 3.95Å; L177-R198 PolarHBondContact N-O 3.42Å; L177-R198 PolarHBondContact O-N 3.02Å; R198-V200 HydrophobicContact CG-CG2 4.31Å; R198-E272 HydrophobicContact CB-CG 4.22Å; R198-E272 WeakPolarHBondContact CD-OE2 3.5Å; R198-E272 IonicContact NH1-OE2 3.14Å; R198-E272 PolarHBondContact NH1-OE2 3.13Å; R198-M274 CarbonylContact C-O 3.52Å; R198-M274 VanDerWaalsContact CA-O 3.3Å; R198-M274 WeakPolarHBondContact CA-O 3.44Å; R198-R275 HydrophobicContact CB-CG 4.37Å
199V97.6Very high95.9Very high0 Ų034.2 Ų34.20%018%0.177CC..EExtended strand (participates in β ladder)trans-107.6107.4174.9-175.20000107.4L174 D175 L273 M274 Y276L174-V199 HydrophobicContact CD2-CG1 4.13Å; D175-V199 WeakPolarHBondContact O-CA 3.25Å; V199-L273 PolarHBondContact O-N 2.8Å; V199-M274 HydrophobicContact CB-CG 3.77Å; V199-M274 HydrophobicContact CG2-CG 3.61Å; V199-M274 HydrophobicContact CG2-SD 4.06Å; V199-M274 PolarHBondContact N-O 2.75Å; V199-Y276 HydrophobicContact CG2-CE1 3.97Å
200V97.9Very high96.1Very high8 Ų830.1 Ų30.15%0.04816%0.158CC..EExtended strand (participates in β ladder)trans-95.6130.7174.3179.70000108D175 L177 R198 E270D175-V200 HydrophobicContact CB-CB 4.21Å; D175-V200 PolarHBondContact N-O 2.92Å; D175-V200 PolarHBondContact O-N 3.32Å; L177-V200 HydrophobicContact CD1-CG2 4.05Å; R198-V200 HydrophobicContact CG-CG2 4.31Å; V200-E270 HydrophobicContact CG1-CG 3.76Å
201M97.3Very high96.2Very high0 Ų027.1 Ų27.10%014%0.14CC..EExtended strand (participates in β ladder)trans-116.6136.7-177.9-178167.4178.400109.5L172 F173 L174 F264 P266 E270 F271L172-M201 HydrophobicContact CD1-CE 3.73Å; L172-M201 HydrophobicContact CD2-CE 3.24Å; L172-M201 HydrophobicContact CG-CE 4Å; F173-M201 CarbonylContact O-C 3.59Å; F173-M201 WeakPolarHBondContact O-CA 3.44Å; L174-M201 HydrophobicContact CD2-CB 3.74Å; L174-M201 HydrophobicContact CD2-CG 3.69Å; L174-M201 HydrophobicContact CD2-SD 3.97Å; M201-F264 HydrophobicContact CE-CE2 4.15Å; M201-F264 HydrophobicContact CE-CZ 4.34Å; M201-F264 HydrophobicContact SD-CE2 3.67Å; M201-F264 HydrophobicContact SD-CZ 3.84Å; M201-P266 HydrophobicContact CE-CB 4.13Å; M201-P266 HydrophobicContact CE-CG 4.39Å; M201-P266 HydrophobicContact SD-CB 4.45Å; M201-E270 CarbonylContact O-C 3.58Å; M201-E270 WeakPolarHBondContact O-CA 3.3Å; M201-F271 HydrophobicContact CB-CD1 4.35Å; M201-F271 HydrophobicContact CB-CE1 3.79Å; M201-F271 HydrophobicContact CB-CZ 3.88Å; M201-F271 HydrophobicContact CG-CE1 3.82Å; M201-F271 HydrophobicContact CG-CZ 4.03Å; M201-F271 PolarHBondContact N-O 2.82Å; M201-F271 PolarHBondContact O-N 2.82Å; M201-F271 HydrophobicContact SD-CE1 4.01Å; M201-F271 HydrophobicContact SD-CZ 3.7Å
202K97Very high96.2Very high52 Ų5226.8 Ų26.823%0.22614%0.135CC..EExtended strand (participates in β ladder)trans-113.1114.1167.3-53.8-176.6-176.8-140.50108.1L172 F173 Y204 G269 E270L172-K202 WeakPolarHBondContact CA-O 3.36Å; F173-K202 HydrophobicContact CB-CB 4.14Å; F173-K202 HydrophobicContact CD2-CB 4.26Å; F173-K202 PolarHBondContact N-O 3.41Å; F173-K202 PolarHBondContact O-N 3.28Å; K202-Y204 HydrophobicContact CB-CE2 4.2Å; K202-G269 CarbonylContact C-O 3.55Å; K202-G269 WeakPolarHBondContact CA-O 3.24Å; K202-E270 WeakPolarHBondContact CE-OE2 3.27Å; K202-E270 HydrophobicContact CG-CB 4.04Å; K202-E270 HydrophobicContact CG-CG 4.02Å; K202-E270 IonicContact NZ-OE2 3.06Å; K202-E270 PolarHBondContact NZ-OE2 3.14Å
203S96.4Very high96.2Very high0 Ų024 Ų240%012%0.115CC..EExtended strand (participates in β ladder)trans-111.3113.5-174.7-179.20000111.1L172 L205 P267 G269L172-S203 WeakPolarHBondContact CD2-OG 3.37Å; S203-L205 WeakPolarHBondContact OG-CG 3.31Å; S203-P267 WeakPolarHBondContact CB-O 3.22Å; S203-G269 PolarHBondContact N-O 2.9Å; S203-G269 PolarHBondContact O-N 2.84Å
204Y96.8Very high95.9Very high80 Ų8023.2 Ų23.231%0.31411%0.109SC..EExtended strand (participates in β ladder)trans-116.275.1171.4-55.1-66.6000107.9Y167 N170 E171 F173 K202Y167-Y204 VanDerWaalsContact CD2-C 3.44Å; Y167-Y204 AromaticContact CE1-CD1 3.68Å; Y167-Y204 HydrophobicContact CE1-CD1 3.68Å; Y167-Y204 HydrophobicContact CE1-CG 4.15Å; Y167-Y204 AromaticContact CZ-CD1 3.8Å; N170-Y204 CarbonylContact C-O 3.53Å; N170-Y204 VanDerWaalsContact CA-O 3.32Å; N170-Y204 WeakPolarHBondContact CA-O 3.19Å; E171-Y204 PolarHBondContact N-O 3.32Å; E171-Y204 PolarHBondContact O-N 3Å; F173-Y204 HydrophobicContact CD2-CD2 4.16Å; F173-Y204 HydrophobicContact CD2-CE2 4.08Å; F173-Y204 AromaticContact CE2-CD2 3.87Å; F173-Y204 HydrophobicContact CE2-CD2 3.87Å; F173-Y204 AromaticContact CE2-CE2 3.95Å; F173-Y204 HydrophobicContact CE2-CE2 3.95Å; K202-Y204 HydrophobicContact CB-CE2 4.2Å
205L96.6Very high95.7Very high0 Ų021.4 Ų21.40%010%0.101CC..  trans-120.4143.8-173.7-65.5-177.4000110.5R161 I165 Y167 N170 L172 S203 P209 P266 V405 V417R161-L205 PolarHBondContact NH2-O 3.12Å; I165-L205 WeakPolarHBondContact CG2-O 3.38Å; Y167-L205 VanDerWaalsContact CD2-C 3.46Å; Y167-L205 VanDerWaalsContact CD2-O 3.28Å; Y167-L205 WeakPolarHBondContact CD2-O 3.04Å; Y167-L205 WeakPolarHBondContact CE2-O 3.43Å; N170-L205 HydrophobicContact CB-CD2 3.82Å; L172-L205 HydrophobicContact CD1-CD1 4.09Å; L172-L205 HydrophobicContact CD1-CD2 4.46Å; L172-L205 HydrophobicContact CD2-CD1 3.65Å; L172-L205 HydrophobicContact CD2-CD2 4.02Å; L172-L205 HydrophobicContact CD2-CG 3.67Å; L172-L205 HydrophobicContact CG-CD1 4.1Å; L172-L205 HydrophobicContact CG-CD2 3.95Å; L172-L205 HydrophobicContact CG-CG 4.15Å; S203-L205 WeakPolarHBondContact OG-CG 3.31Å; L205-P209 HydrophobicContact CB-CG 3.78Å; L205-P209 HydrophobicContact CD1-CB 4.09Å; L205-P209 HydrophobicContact CD1-CG 3.44Å; L205-P209 VanDerWaalsContact CD1-CG 3.44Å; L205-P209 HydrophobicContact CG-CG 4.27Å; L205-P266 HydrophobicContact CD1-CG 4.13Å; L205-V405 HydrophobicContact CD1-CG1 3.99Å; L205-V417 HydrophobicContact CD2-CG1 3.78Å; L205-V417 HydrophobicContact CD2-CG2 4.15Å
206S96.3Very high95.3Very high10 Ų1021.8 Ų21.87%0.0710%0.103CC..SBendtrans-82.7149175.8-52.40000111.3I165 Y167 N170 Y412I165-S206 CarbonylContact O-C 3.53Å; I165-S206 WeakPolarHBondContact O-CA 3.36Å; Y167-S206 PolarHBondContact N-OG 3.39Å; Y167-S206 PolarHBondContact O-OG 3.43Å; N170-S206 WeakPolarHBondContact OD1-CB 3.46Å; N170-S206 PolarHBondContact OD1-N 3.42Å; N170-S206 PolarHBondContact OD1-OG 2.66Å; S206-Y412 PolarHBondContact N-OH 2.9Å; S206-Y412 WeakPolarHBondContact O-CE1 3.34Å; S206-Y412 PolarHBondContact O-OH 3.11Å
207G94.1Very high94.6Very high8 Ų820.7 Ų20.78%0.08210%0.095CC..SBendtrans73.6-145.617600000114.3R161 I165 P209R161-G207 VanDerWaalsContact CZ-O 3.26Å; R161-G207 PolarHBondContact NE-O 2.71Å; R161-G207 PolarHBondContact NH2-O 3.12Å; I165-G207 PolarHBondContact O-N 3.18Å; G207-P209 VanDerWaalsContact C-CD 3.42Å; G207-P209 WeakPolarHBondContact O-CD 3.4Å
208M94.3Very high93.6Very high26 Ų2624.4 Ų24.413%0.12811%0.111CC..  trans-123.962.2-176.7-66.2-63.8-75.200111.6I158 R161 R162 E163 I265 E407I158-M208 HydrophobicContact CB-CE 4.31Å; I158-M208 HydrophobicContact CD1-CE 4Å; I158-M208 HydrophobicContact CG2-CE 3.82Å; R161-M208 HydrophobicContact CB-CE 4.1Å; R161-M208 HydrophobicContact CB-SD 4.1Å; R161-M208 VanDerWaalsContact CD-SD 3.55Å; R161-M208 HydrophobicContact CG-CE 4.3Å; R161-M208 HydrophobicContact CG-SD 3.66Å; R162-M208 VanDerWaalsContact O-SD 3.41Å; E163-M208 HydrophobicContact CG-CG 3.98Å; E163-M208 HydrophobicContact CG-SD 4.23Å; M208-I265 HydrophobicContact CE-CG2 4.28Å; M208-E407 VanDerWaalsContact CA-OE2 3.25Å; M208-E407 WeakPolarHBondContact CA-OE2 3.4Å; M208-E407 PolarHBondContact N-OE2 2.83Å
209P96.1Very high92.5Very high0 Ų023.7 Ų23.70%011%0.112CC..  trans-71.7138.6-167.627.3-36.3000111.8L205 G207 P266 V405 F406 E407L205-P209 HydrophobicContact CB-CG 3.78Å; L205-P209 HydrophobicContact CD1-CB 4.09Å; L205-P209 HydrophobicContact CD1-CG 3.44Å; L205-P209 VanDerWaalsContact CD1-CG 3.44Å; L205-P209 HydrophobicContact CG-CG 4.27Å; G207-P209 VanDerWaalsContact C-CD 3.42Å; G207-P209 WeakPolarHBondContact O-CD 3.4Å; P209-P266 HydrophobicContact CG-CG 4.41Å; P209-P266 WeakPolarHBondContact O-CD 3.33Å; P209-V405 HydrophobicContact CB-CG1 3.96Å; P209-F406 CarbonylContact C-O 3.54Å; P209-F406 WeakPolarHBondContact CA-O 3.5Å; P209-E407 VanDerWaalsContact CA-OE2 3.28Å; P209-E407 WeakPolarHBondContact CA-OE2 3.45Å; P209-E407 HydrophobicContact CB-CB 4.25Å; P209-E407 WeakPolarHBondContact CD-OE2 3.39Å
210E95.4Very high91.1Very high50 Ų5024.7 Ų24.723%0.23412%0.119CC..EExtended strand (participates in β ladder)trans-85.4121.3167.2-171.1169.2156.100109.4R252 K255 S263 F406E210-R252 IonicContact OE1-NH1 3.85Å; E210-R252 IonicContact OE2-CZ 3.21Å; E210-R252 IonicContact OE2-NH1 2.8Å; E210-R252 PolarHBondContact OE2-NH1 3.4Å; E210-R252 IonicContact OE2-NH2 3.36Å; E210-R252 PolarHBondContact OE2-NH2 2.86Å; E210-K255 IonicContact OE1-NZ 3.98Å; E210-K255 PolarHBondContact OE1-NZ 2.8Å; E210-K255 VanDerWaalsContact OE1-NZ 3.14Å; E210-S263 PolarHBondContact OE1-OG 3.22Å; E210-F406 PolarHBondContact N-O 3.42Å; E210-F406 PolarHBondContact O-N 3.41Å
211C96Very high89.6Confident0 Ų026.3 Ų26.30%013%0.126CC..EExtended strand (participates in β ladder)trans-104.5144.8176.6-65.50000110.9S263 F264 K404C211-S263 WeakPolarHBondContact O-CA 3.28Å; C211-F264 HydrophobicContact CB-CD1 4.26Å; C211-F264 HydrophobicContact CB-CD2 4.15Å; C211-F264 HydrophobicContact CB-CE1 3.87Å; C211-F264 HydrophobicContact CB-CE2 3.76Å; C211-F264 HydrophobicContact CB-CG 4.39Å; C211-F264 HydrophobicContact CB-CZ 3.61Å; C211-F264 PolarHBondContact N-O 3.23Å; C211-F264 PolarHBondContact O-N 3.48Å; C211-K404 CarbonylContact C-O 3.57Å; C211-K404 WeakPolarHBondContact CA-O 3.47Å
212K94.4Very high88.2Confident77 Ų7731.8 Ų31.834%0.33515%0.152SC..EExtended strand (participates in β ladder)trans-126120.7168.8-60.6-171.1-179.7-172.60110.5I262 Y402 L403 K404K212-I262 CarbonylContact C-O 3.51Å; K212-I262 VanDerWaalsContact CA-O 3.31Å; K212-I262 WeakPolarHBondContact CA-O 3.42Å; K212-Y402 HydrophobicContact CB-CE2 4.45Å; K212-L403 CarbonylContact O-C 3.54Å; K212-L403 WeakPolarHBondContact O-CA 3.28Å; K212-K404 HydrophobicContact CB-CB 4.26Å; K212-K404 PolarHBondContact N-O 3.18Å; K212-K404 PolarHBondContact O-N 2.82Å
213F93.4Very high86.7Confident1 Ų135.8 Ų35.80%0.00417%0.169CC..EExtended strand (participates in β ladder)trans-106.5130.6178.7173.3-101.1000110.5L174 M215 I262 F264 L273 M274 V400 L403L174-F213 HydrophobicContact CD1-CD2 4.09Å; L174-F213 HydrophobicContact CD1-CE2 3.96Å; F213-M215 HydrophobicContact CE1-CB 4.19Å; F213-M215 HydrophobicContact CE1-CG 4.44Å; F213-M215 HydrophobicContact CE1-SD 4.04Å; F213-M215 HydrophobicContact CZ-CB 4.33Å; F213-I262 HydrophobicContact CB-CB 4.23Å; F213-I262 HydrophobicContact CB-CG2 4.34Å; F213-I262 HydrophobicContact CD1-CB 4.3Å; F213-I262 HydrophobicContact CD1-CD1 3.64Å; F213-I262 HydrophobicContact CE1-CD1 4.12Å; F213-I262 PolarHBondContact N-O 3Å; F213-I262 PolarHBondContact O-N 3.3Å; F213-F264 HydrophobicContact CB-CE1 3.81Å; F213-F264 HydrophobicContact CB-CZ 4.46Å; F213-L273 HydrophobicContact CB-CD2 4.44Å; F213-L273 HydrophobicContact CG-CD2 4.39Å; F213-M274 HydrophobicContact CD1-SD 4.49Å; F213-M274 HydrophobicContact CE1-SD 3.94Å; F213-V400 HydrophobicContact CD2-CG1 4.14Å; F213-V400 HydrophobicContact CE2-CB 4.18Å; F213-V400 HydrophobicContact CE2-CG1 3.65Å; F213-V400 HydrophobicContact CE2-CG2 3.63Å; F213-V400 HydrophobicContact CZ-CG2 4.04Å; F213-L403 HydrophobicContact CB-CD1 4.21Å; F213-L403 HydrophobicContact CD2-CD1 4.34Å
214G90.1Very high85.1Confident6 Ų641.3 Ų41.36%0.06220%0.195CC..EExtended strand (participates in β ladder)trans-126.6135.1178.300000111.7R401 Y402G214-R401 PolarHBondContact O-N 3Å; G214-Y402 PolarHBondContact N-O 2.85Å; G214-Y402 PolarHBondContact O-N 3.29Å
215M90.6Very high83.2Confident13 Ų1340 Ų406%0.06421%0.206CC..EExtended strand (participates in β ladder)trans-124.1168.2178.160.7-166.2153.100111.4F213 D217 I242 I262 M274 L398 K399 R401F213-M215 HydrophobicContact CE1-CB 4.19Å; F213-M215 HydrophobicContact CE1-CG 4.44Å; F213-M215 HydrophobicContact CE1-SD 4.04Å; F213-M215 HydrophobicContact CZ-CB 4.33Å; M215-D217 HydrophobicContact CG-CB 4.19Å; M215-D217 PolarHBondContact O-N 2.79Å; M215-I242 HydrophobicContact CE-CD1 3.81Å; M215-I242 HydrophobicContact SD-CD1 3.67Å; M215-I262 HydrophobicContact CE-CD1 3.49Å; M215-I262 VanDerWaalsContact CE-CD1 3.49Å; M215-M274 HydrophobicContact CE-CE 3.93Å; M215-M274 HydrophobicContact CE-SD 4.18Å; M215-M274 HydrophobicContact SD-CE 4.22Å; M215-M274 HydrophobicContact SD-SD 4.25Å; M215-L398 HydrophobicContact SD-CD1 4.03Å; M215-K399 WeakPolarHBondContact CA-O 3.46Å; M215-R401 WeakPolarHBondContact O-CD 3.43Å
216N89.3Confident81.1Confident8 Ų849.5 Ų49.54%0.04325%0.247CC..  trans-76.343.7177.164-33.5000113.4K218 I221 Q238 S239 I240 G397 K399 R401N216-K218 PolarHBondContact O-N 2.74Å; N216-I221 HydrophobicContact CB-CD1 3.98Å; N216-I221 WeakPolarHBondContact O-CD1 3.07Å; N216-Q238 PolarHBondContact ND2-O 3.47Å; N216-S239 CarbonylContact O-C 3.32Å; N216-S239 VanDerWaalsContact O-CA 3.3Å; N216-S239 WeakPolarHBondContact O-CA 3.34Å; N216-I240 PolarHBondContact O-N 2.79Å; N216-G397 PolarHBondContact ND2-O 2.98Å; N216-K399 PolarHBondContact N-O 2.75Å; N216-K399 VanDerWaalsContact N-O 3.15Å; N216-K399 PolarHBondContact OD1-N 2.89Å; N216-K399 PolarHBondContact OD1-O 3.36Å; N216-R401 HydrophobicContact CB-CG 4.31Å
217D82.6Confident78.8Confident8 Ų852.1 Ų52.14%0.04328%0.276CS..BIsolated β-bridgetrans-62.1128.8176.9-179.89.1000110.5M215 I219 V220 I221M215-D217 HydrophobicContact CG-CB 4.19Å; M215-D217 PolarHBondContact O-N 2.79Å; D217-I219 VanDerWaalsContact C-N 3.27Å; D217-I219 PolarHBondContact O-N 3.19Å; D217-I219 PolarHBondContact OD1-N 3.42Å; D217-V220 HydrophobicContact CB-CB 4.3Å; D217-V220 HydrophobicContact CB-CG2 3.92Å; D217-V220 WeakPolarHBondContact O-CB 3.43Å; D217-V220 PolarHBondContact O-N 2.99Å; D217-V220 VanDerWaalsContact O-N 3.13Å; D217-I221 WeakPolarHBondContact O-CG1 3.49Å; D217-I221 PolarHBondContact O-N 3.19Å
218K76.8Confident76.4Confident79 Ų7957.6 Ų57.634%0.34331%0.308SS..Hα-helixtrans-56.1-40.7-178-174.4170.9-179176.10112.1N216 V220 I221 E222 I240 A241N216-K218 PolarHBondContact O-N 2.74Å; K218-V220 VanDerWaalsContact C-N 3.33Å; K218-V220 PolarHBondContact O-N 3.16Å; K218-I221 PolarHBondContact O-N 3.41Å; K218-E222 WeakPolarHBondContact CE-OE1 3.37Å; K218-E222 HydrophobicContact CG-CG 4.44Å; K218-E222 WeakPolarHBondContact CG-OE1 3.1Å; K218-E222 WeakPolarHBondContact O-CB 3.34Å; K218-E222 WeakPolarHBondContact O-CG 3.11Å; K218-E222 PolarHBondContact O-N 3.4Å; K218-I240 WeakPolarHBondContact CB-O 3.33Å; K218-I240 PolarHBondContact N-O 2.94Å; K218-A241 HydrophobicContact CD-CB 4.47Å
219I74.1Confident74.1Confident71 Ų7161.3 Ų61.336%0.36434%0.343SS..Hα-helixtrans-63.5-41.5179.6-59.7174.9000110.8D217 K223D217-I219 VanDerWaalsContact C-N 3.27Å; D217-I219 PolarHBondContact O-N 3.19Å; D217-I219 PolarHBondContact OD1-N 3.42Å; I219-K223 WeakPolarHBondContact O-CG 3.39Å; I219-K223 PolarHBondContact O-N 2.88Å
220V68.6Low71.2Confident22 Ų2267.5 Ų67.513%0.13338%0.376CS..Hα-helixtrans-67.3-42.3178.8179.30000110.9D217 K218 K223 Q224 R260D217-V220 HydrophobicContact CB-CB 4.3Å; D217-V220 HydrophobicContact CB-CG2 3.92Å; D217-V220 WeakPolarHBondContact O-CB 3.43Å; D217-V220 PolarHBondContact O-N 2.99Å; D217-V220 VanDerWaalsContact O-N 3.13Å; K218-V220 VanDerWaalsContact C-N 3.33Å; K218-V220 PolarHBondContact O-N 3.16Å; V220-K223 PolarHBondContact O-N 2.73Å; V220-Q224 WeakPolarHBondContact O-CG 3.33Å; V220-Q224 PolarHBondContact O-N 3.33Å; V220-Q224 VanDerWaalsContact O-N 3.12Å; V220-R260 HydrophobicContact CG2-CB 3.45Å; V220-R260 VanDerWaalsContact CG2-CB 3.45Å; V220-R260 HydrophobicContact CG2-CG 4.28Å
221I65.2Low68.6Low41 Ų4172.1 Ų72.121%0.2140%0.398CS..Hα-helixtrans-67.3-42-179.2-68.2168000110.8N216 D217 K218 Q224 G225N216-I221 HydrophobicContact CB-CD1 3.98Å; N216-I221 WeakPolarHBondContact O-CD1 3.07Å; D217-I221 WeakPolarHBondContact O-CG1 3.49Å; D217-I221 PolarHBondContact O-N 3.19Å; K218-I221 PolarHBondContact O-N 3.41Å; I221-Q224 PolarHBondContact O-N 2.88Å; I221-G225 PolarHBondContact O-N 3.39Å
222E68.8Low65.9Low115 Ų11578.3 Ų78.354%0.53744%0.436SS..Hα-helixtrans-65.5-38.3178.1-74.3176-175.300112.4K218 G225K218-E222 WeakPolarHBondContact CE-OE1 3.37Å; K218-E222 HydrophobicContact CG-CG 4.44Å; K218-E222 WeakPolarHBondContact CG-OE1 3.1Å; K218-E222 WeakPolarHBondContact O-CB 3.34Å; K218-E222 WeakPolarHBondContact O-CG 3.11Å; K218-E222 PolarHBondContact O-N 3.4Å; E222-G225 PolarHBondContact O-N 2.89Å
223K64.9Low63.2Low136 Ų13679.1 Ų79.159%0.59145%0.451SS*.Hα-helixtrans-65.4-39.2174-75.9-174.9177.5-172.50112.6I219 V220I219-K223 WeakPolarHBondContact O-CG 3.39Å; I219-K223 PolarHBondContact O-N 2.88Å; V220-K223 PolarHBondContact O-N 2.73Å
224Q61.9Low60.7Low117 Ų11787.2 Ų87.255%0.54749%0.486SS..Hα-helixtrans-74.3-28.1177.1-73.1179.3-5.600112.9V220 I221 K226V220-Q224 WeakPolarHBondContact O-CG 3.33Å; V220-Q224 PolarHBondContact O-N 3.33Å; V220-Q224 VanDerWaalsContact O-N 3.12Å; I221-Q224 PolarHBondContact O-N 2.88Å; Q224-K226 VanDerWaalsContact C-N 3.31Å; Q224-K226 PolarHBondContact O-N 2.84Å
225G57.2Low58.4Low52 Ų5292.3 Ų92.354%0.53652%0.521SS..G310 helixtrans-75.3-9-177.900000115.7I221 E222 G227I221-G225 PolarHBondContact O-N 3.39Å; E222-G225 PolarHBondContact O-N 2.89Å; G225-G227 VanDerWaalsContact C-N 3.27Å; G225-G227 PolarHBondContact O-N 3.45Å
226K53.8Low56.3Low199 Ų19994.9 Ų94.987%0.86555%0.551SS**G310 helixtrans-80.2-0.5177-77.5-173174.6-175.70114.5Q224Q224-K226 VanDerWaalsContact C-N 3.31Å; Q224-K226 PolarHBondContact O-N 2.84Å
227G47.9Very low54.6Low65 Ų65103.5 Ų103.567%0.6759%0.588SS**G310 helixtrans-99.3-9.9-172.100000117.2G225G225-G227 VanDerWaalsContact C-N 3.27Å; G225-G227 PolarHBondContact O-N 3.45Å
228T44.1Very low53.8Low123 Ų123108.3 Ų108.376%0.75561%0.61SS**  trans-148.8107.3-178.550.10000109.8D230T228-D230 PolarHBondContact O-N 2.9Å
229A44.1Very low53.9Low105 Ų105106.2 Ų106.287%0.86861%0.606SS**  trans-67.4107.1169.700000109
230D37.1Very low54.4Low130 Ų130102.9 Ų102.970%0.69559%0.589SS**  trans-148.295.8156.1-132.7-7.3000108T228 T232T228-D230 PolarHBondContact O-N 2.9Å; D230-T232 PolarHBondContact O-N 2.86Å
231E40.4Very low55.2Low146 Ų146102.8 Ų102.868%0.68259%0.59SS**G310 helixtrans-77.25.9-168.5-78.2-146.2120.700114.9K234E231-K234 IonicContact OE1-NZ 3.38Å; E231-K234 PolarHBondContact OE1-NZ 2.87Å
232T38Very low56.4Low130 Ų130102.2 Ų102.280%0.79859%0.587SS**G310 helixtrans-97.96.8-171.343.60000115.4D230D230-T232 PolarHBondContact O-N 2.86Å
233S38.5Very low57.4Low94 Ų9499.2 Ų99.266%0.65758%0.575SS**G310 helixtrans-13133.7178.466.60000115.5S235S233-S235 PolarHBondContact O-N 2.63Å
234K40.8Very low58.6Low172 Ų17296.9 Ų96.975%0.74857%0.569SS**  trans-71.326.1175.8-77.6-179.1-178.2163.90114.9E231E231-K234 IonicContact OE1-NZ 3.38Å; E231-K234 PolarHBondContact OE1-NZ 2.87Å
235S41.1Very low60.1Low112 Ų11293.1 Ų93.178%0.78356%0.555SS**SBendtrans-115.3104.4171.857.20000110.9S233S233-S235 PolarHBondContact O-N 2.63Å
236G46.8Very low61.8Low68 Ų6894.9 Ų94.970%0.70156%0.555SS**  trans117.15.8148.300000120.4Q238G236-Q238 VanDerWaalsContact C-N 3.31Å; G236-Q238 PolarHBondContact O-N 3.27Å
237K55Low63.8Low188 Ų18887.3 Ų87.382%0.81752%0.523SS*.  trans-7686.6167.4-77.2-177.9-175.7168.80110.1S239K237-S239 PolarHBondContact O-N 3.36Å
238Q65.5Low66Low109 Ų10986.9 Ų86.951%0.50950%0.503SS..  trans-53.2109170-72.8176.3-31.800108.9N216 G236N216-Q238 PolarHBondContact ND2-O 3.47Å; G236-Q238 VanDerWaalsContact C-N 3.31Å; G236-Q238 PolarHBondContact O-N 3.27Å
239S78.8Confident68.3Low36 Ų3686 Ų8625%0.25249%0.49SS..  trans-106.7148.7173.259.10000109N216 K237N216-S239 CarbonylContact O-C 3.32Å; N216-S239 VanDerWaalsContact O-CA 3.3Å; N216-S239 WeakPolarHBondContact O-CA 3.34Å; K237-S239 PolarHBondContact O-N 3.36Å
240I85.1Confident70.6Confident1 Ų181.1 Ų81.11%0.00545%0.45CS..BIsolated β-bridgetrans-96.6130.8175.7-176.1176.8000109.4N216 K218 I242 Y276 S396 L398N216-I240 PolarHBondContact O-N 2.79Å; K218-I240 WeakPolarHBondContact CB-O 3.33Å; K218-I240 PolarHBondContact N-O 2.94Å; I240-I242 HydrophobicContact CD1-CD1 4.49Å; I240-I242 HydrophobicContact CD1-CG1 3.83Å; I240-I242 HydrophobicContact CG1-CG1 3.95Å; I240-I242 HydrophobicContact CG2-CD1 4.31Å; I240-I242 HydrophobicContact CG2-CG1 4.14Å; I240-Y276 HydrophobicContact CD1-CD2 4.37Å; I240-Y276 HydrophobicContact CD1-CE2 4.18Å; I240-S396 VanDerWaalsContact CD1-OG 3.27Å; I240-S396 WeakPolarHBondContact CD1-OG 3.32Å; I240-L398 HydrophobicContact CD1-CB 3.89Å; I240-L398 HydrophobicContact CD1-CD1 4.04Å; I240-L398 HydrophobicContact CD1-CG 4.39Å
241A84.9Confident73.4Confident20 Ų2075.4 Ų75.417%0.16542%0.42CS..  trans-90.6102164.500000108.3K218 T278K218-A241 HydrophobicContact CD-CB 4.47Å; A241-T278 WeakPolarHBondContact O-CG2 3.03Å; A241-T278 PolarHBondContact O-OG1 2.91Å
242I89.6Confident75.9Confident29 Ų2972.8 Ų72.815%0.14940%0.403CS..  trans-83.2121.5173.9-62.7174.6000107.3M215 I240 D244 C245M215-I242 HydrophobicContact CE-CD1 3.81Å; M215-I242 HydrophobicContact SD-CD1 3.67Å; I240-I242 HydrophobicContact CD1-CD1 4.49Å; I240-I242 HydrophobicContact CD1-CG1 3.83Å; I240-I242 HydrophobicContact CG1-CG1 3.95Å; I240-I242 HydrophobicContact CG2-CD1 4.31Å; I240-I242 HydrophobicContact CG2-CG1 4.14Å; I242-D244 WeakPolarHBondContact CG2-O 3.32Å; I242-C245 HydrophobicContact CG2-CB 4.06Å
243D90.2Very high78.4Confident52 Ų5271.1 Ų71.128%0.27839%0.389SS..SBendtrans-75.5-50.7177.5-61-37.4000109.8R277 T278 T279D243-R277 PolarHBondContact N-O 3.19Å; D243-T278 WeakPolarHBondContact OD2-CA 3.28Å; D243-T279 PolarHBondContact OD1-OG1 3.49Å; D243-T279 WeakPolarHBondContact OD2-CB 3.44Å; D243-T279 WeakPolarHBondContact OD2-CG2 3.32Å; D243-T279 PolarHBondContact OD2-N 2.91Å; D243-T279 PolarHBondContact OD2-OG1 2.9Å
244D90.1Very high80.8Confident86 Ų8671 Ų7146%0.4639%0.388SS..EExtended strand (participates in β ladder)trans-141.5147.7178.9-45.5-71.3000110I242 Y276 R277I242-D244 WeakPolarHBondContact CG2-O 3.32Å; D244-Y276 CarbonylContact O-C 3.52Å; D244-Y276 VanDerWaalsContact O-CA 3.28Å; D244-Y276 WeakPolarHBondContact O-CA 3.48Å; D244-R277 PolarHBondContact N-O 3.06Å; D244-R277 PolarHBondContact O-N 2.66Å; D244-R277 IonicContact OD2-CZ 3.71Å; D244-R277 IonicContact OD2-NE 3.83Å; D244-R277 PolarHBondContact OD2-NE 2.84Å; D244-R277 IonicContact OD2-NH2 2.68Å; D244-R277 PolarHBondContact OD2-NH2 2.64Å
245C92.3Very high82.9Confident39 Ų3965.4 Ų65.426%0.26436%0.364SS..EExtended strand (participates in β ladder)trans-138.4147.2172.1560000111.3I242 F247 M274 R275I242-C245 HydrophobicContact CG2-CB 4.06Å; C245-F247 HydrophobicContact CB-CE2 4.32Å; C245-F247 HydrophobicContact CB-CZ 4.15Å; C245-F247 VanDerWaalsContact SG-CE2 3.53Å; C245-F247 VanDerWaalsContact SG-CZ 3.59Å; C245-M274 HydrophobicContact CB-CE 4.11Å; C245-R275 CarbonylContact C-O 3.43Å; C245-R275 VanDerWaalsContact CA-O 3.23Å; C245-R275 WeakPolarHBondContact CA-O 3.41Å
246T94.5Very high85Confident88 Ų8860.5 Ų60.554%0.5433%0.329SS..EExtended strand (participates in β ladder)trans-124.8141.5172620000108.2M274 R275T246-M274 CarbonylContact O-C 3.59Å; T246-M274 VanDerWaalsContact O-CA 3.23Å; T246-M274 WeakPolarHBondContact O-CA 3.39Å; T246-M274 WeakPolarHBondContact O-CB 3.13Å; T246-R275 PolarHBondContact N-O 2.85Å; T246-R275 PolarHBondContact O-N 2.85Å; T246-R275 WeakPolarHBondContact OG1-CB 3.48Å
247F95.4Very high86.7Confident41 Ų4162.7 Ų62.718%0.1832%0.324CS..EExtended strand (participates in β ladder)trans-115154.8-176.2-63.6-74.8000111.3C245 V251 L253 F256 I262 M274C245-F247 HydrophobicContact CB-CE2 4.32Å; C245-F247 HydrophobicContact CB-CZ 4.15Å; C245-F247 VanDerWaalsContact SG-CE2 3.53Å; C245-F247 VanDerWaalsContact SG-CZ 3.59Å; F247-V251 HydrophobicContact CB-CB 3.81Å; F247-V251 HydrophobicContact CB-CG1 4.19Å; F247-V251 HydrophobicContact CB-CG2 3.87Å; F247-V251 HydrophobicContact CD1-CB 4.4Å; F247-V251 HydrophobicContact CD1-CG1 4.13Å; F247-V251 HydrophobicContact CD1-CG2 4.04Å; F247-V251 HydrophobicContact CG-CB 4.21Å; F247-V251 HydrophobicContact CG-CG1 4.05Å; F247-V251 HydrophobicContact CG-CG2 4.25Å; F247-L253 HydrophobicContact CB-CD2 4.19Å; F247-L253 HydrophobicContact CD2-CD2 3.58Å; F247-L253 HydrophobicContact CE2-CD2 4.39Å; F247-L253 HydrophobicContact CG-CD2 4.19Å; F247-F256 AromaticContact CE2-CD1 3.88Å; F247-F256 HydrophobicContact CE2-CD1 3.88Å; F247-F256 HydrophobicContact CE2-CD2 4.47Å; F247-F256 AromaticContact CE2-CE1 3.76Å; F247-F256 HydrophobicContact CE2-CE1 3.76Å; F247-F256 HydrophobicContact CE2-CE2 4.39Å; F247-F256 HydrophobicContact CE2-CG 4.22Å; F247-F256 HydrophobicContact CE2-CZ 4.03Å; F247-F256 HydrophobicContact CZ-CD1 4.25Å; F247-F256 HydrophobicContact CZ-CD2 4.09Å; F247-F256 AromaticContact CZ-CE1 3.96Å; F247-F256 HydrophobicContact CZ-CE1 3.96Å; F247-F256 AromaticContact CZ-CE2 3.81Å; F247-F256 HydrophobicContact CZ-CE2 3.81Å; F247-F256 HydrophobicContact CZ-CG 4.29Å; F247-F256 AromaticContact CZ-CZ 3.73Å; F247-F256 HydrophobicContact CZ-CZ 3.73Å; F247-I262 HydrophobicContact CD1-CD1 4.5Å; F247-I262 HydrophobicContact CE1-CD1 3.51Å; F247-I262 HydrophobicContact CE1-CG1 3.76Å; F247-I262 HydrophobicContact CE1-CG2 4.49Å; F247-I262 HydrophobicContact CZ-CD1 4.08Å; F247-I262 HydrophobicContact CZ-CG1 4.17Å; F247-M274 HydrophobicContact CD1-CB 3.62Å; F247-M274 HydrophobicContact CE1-CB 3.85Å; F247-M274 HydrophobicContact CE1-CE 3.95Å; F247-M274 HydrophobicContact CE1-SD 4.02Å; F247-M274 HydrophobicContact CZ-CE 4.42Å
248H94.2Very high87.9Confident55 Ų5557.2 Ų57.226%0.25531%0.31SS..  trans-62.5150161.6-165.9-94.4000110C250 V251 E272 L273H248-C250 PolarHBondContact ND1-N 2.88Å; H248-C250 PolarHBondContact ND1-SG 2.91Å; H248-C250 PolarHBondContact O-N 2.82Å; H248-V251 WeakPolarHBondContact O-CB 3.35Å; H248-V251 PolarHBondContact O-N 2.88Å; H248-E272 WeakPolarHBondContact CB-O 3.37Å; H248-L273 PolarHBondContact N-O 2.82Å
249Q91.8Very high88.4Confident104 Ų10457.8 Ų57.849%0.48631%0.313SS..THydrogen-bonded Turntrans-57.3-16.3178.263.9178.813.700114.5E125 W160 V251E125-Q249 PolarHBondContact OE1-NE2 2.98Å; W160-Q249 HydrophobicContact CD2-CG 4.41Å; W160-Q249 HydrophobicContact CE3-CG 3.85Å; W160-Q249 HydrophobicContact CZ3-CG 4.18Å; Q249-V251 PolarHBondContact O-N 3.46Å
250C93.6Very high88.3Confident4 Ų460.2 Ų60.23%0.02732%0.316CS..THydrogen-bonded Turntrans-72.4-14.2177.4660000113.6W160 H248 F264 I265W160-C250 HydrophobicContact CD2-CB 4.09Å; W160-C250 VanDerWaalsContact CE2-CB 3.45Å; W160-C250 HydrophobicContact CG-CB 4.33Å; W160-C250 VanDerWaalsContact CZ2-CA 3.45Å; W160-C250 HydrophobicContact CZ2-CB 3.82Å; W160-C250 VanDerWaalsContact NE1-CB 3.27Å; H248-C250 PolarHBondContact ND1-N 2.88Å; H248-C250 PolarHBondContact ND1-SG 2.91Å; H248-C250 PolarHBondContact O-N 2.82Å; C250-F264 HydrophobicContact CB-CB 4.36Å; C250-F264 VanDerWaalsContact O-CA 3.22Å; C250-F264 WeakPolarHBondContact O-CA 3.45Å; C250-F264 WeakPolarHBondContact O-CB 3.35Å; C250-I265 WeakPolarHBondContact CB-O 3.3Å
251V95.5Very high88.1Confident9 Ų960.6 Ų60.66%0.05532%0.319CS..BIsolated β-bridgetrans-82.8129.5179.61790000110.8F247 H248 Q249 L253 I262 F264 L273F247-V251 HydrophobicContact CB-CB 3.81Å; F247-V251 HydrophobicContact CB-CG1 4.19Å; F247-V251 HydrophobicContact CB-CG2 3.87Å; F247-V251 HydrophobicContact CD1-CB 4.4Å; F247-V251 HydrophobicContact CD1-CG1 4.13Å; F247-V251 HydrophobicContact CD1-CG2 4.04Å; F247-V251 HydrophobicContact CG-CB 4.21Å; F247-V251 HydrophobicContact CG-CG1 4.05Å; F247-V251 HydrophobicContact CG-CG2 4.25Å; H248-V251 WeakPolarHBondContact O-CB 3.35Å; H248-V251 PolarHBondContact O-N 2.88Å; Q249-V251 PolarHBondContact O-N 3.46Å; V251-L253 HydrophobicContact CG1-CD2 4.42Å; V251-L253 PolarHBondContact O-N 2.55Å; V251-I262 HydrophobicContact CG1-CG2 3.92Å; V251-I262 HydrophobicContact CG2-CG2 3.88Å; V251-F264 HydrophobicContact CG2-CB 4.12Å; V251-L273 HydrophobicContact CG2-CD1 3.8Å
252R92.9Very high88.5Confident91 Ų9159.7 Ų59.734%0.34331%0.311SS..  trans-78.290.4174.7-61-176-174161.715.8110E210 S254 K255 F256 S263E210-R252 IonicContact OE1-NH1 3.85Å; E210-R252 IonicContact OE2-CZ 3.21Å; E210-R252 IonicContact OE2-NH1 2.8Å; E210-R252 PolarHBondContact OE2-NH1 3.4Å; E210-R252 IonicContact OE2-NH2 3.36Å; E210-R252 PolarHBondContact OE2-NH2 2.86Å; R252-S254 VanDerWaalsContact C-N 3.26Å; R252-S254 PolarHBondContact O-N 3.18Å; R252-K255 HydrophobicContact CB-CB 4.42Å; R252-K255 HydrophobicContact CB-CD 4.34Å; R252-K255 HydrophobicContact CB-CG 4.33Å; R252-K255 VanDerWaalsContact NH1-NZ 3.18Å; R252-K255 PolarHBondContact O-N 2.7Å; R252-K255 VanDerWaalsContact O-N 3.09Å; R252-F256 PolarHBondContact O-N 2.77Å; R252-S263 PolarHBondContact N-O 3.26Å
253L90.6Very high88.8Confident95 Ų9558.4 Ų58.450%0.49731%0.305SS..Hα-helixtrans-56.2-37.2-176.7-63.5-179.4000113.3F247 V251 K255 F256 D257F247-L253 HydrophobicContact CB-CD2 4.19Å; F247-L253 HydrophobicContact CD2-CD2 3.58Å; F247-L253 HydrophobicContact CE2-CD2 4.39Å; F247-L253 HydrophobicContact CG-CD2 4.19Å; V251-L253 HydrophobicContact CG1-CD2 4.42Å; V251-L253 PolarHBondContact O-N 2.55Å; L253-K255 VanDerWaalsContact C-N 3.28Å; L253-K255 PolarHBondContact O-N 2.79Å; L253-F256 WeakPolarHBondContact O-CA 3.48Å; L253-F256 WeakPolarHBondContact O-CB 3.47Å; L253-F256 PolarHBondContact O-N 2.92Å; L253-D257 PolarHBondContact O-N 2.78Å
254S87.9Confident89.1Confident92 Ų9255.9 Ų55.964%0.64329%0.291SS*.Hα-helixtrans-58.6-36.6177.354.40000113.6R252 S258R252-S254 VanDerWaalsContact C-N 3.26Å; R252-S254 PolarHBondContact O-N 3.18Å; S254-S258 PolarHBondContact O-N 3.2Å; S254-S258 PolarHBondContact O-OG 2.91Å
255K84.6Confident89.3Confident54 Ų5452.5 Ų52.524%0.23527%0.273CS..Hα-helixtrans-73.7-32.2173.8-69.8-173.2177-178.10112E210 R252 L253 S258 E259 S263E210-K255 IonicContact OE1-NZ 3.98Å; E210-K255 PolarHBondContact OE1-NZ 2.8Å; E210-K255 VanDerWaalsContact OE1-NZ 3.14Å; R252-K255 HydrophobicContact CB-CB 4.42Å; R252-K255 HydrophobicContact CB-CD 4.34Å; R252-K255 HydrophobicContact CB-CG 4.33Å; R252-K255 VanDerWaalsContact NH1-NZ 3.18Å; R252-K255 PolarHBondContact O-N 2.7Å; R252-K255 VanDerWaalsContact O-N 3.09Å; L253-K255 VanDerWaalsContact C-N 3.28Å; L253-K255 PolarHBondContact O-N 2.79Å; K255-S258 PolarHBondContact O-OG 3.27Å; K255-E259 WeakPolarHBondContact O-CB 3.46Å; K255-E259 PolarHBondContact O-N 2.8Å; K255-S263 PolarHBondContact NZ-OG 3.33Å
256F86.4Confident89.5Confident10 Ų1050.7 Ų50.74%0.04426%0.261CS..Hα-helixtrans-68.5-39.8176.4179.7-103.2000111.5F247 R252 L253 S258 R260 I262F247-F256 AromaticContact CE2-CD1 3.88Å; F247-F256 HydrophobicContact CE2-CD1 3.88Å; F247-F256 HydrophobicContact CE2-CD2 4.47Å; F247-F256 AromaticContact CE2-CE1 3.76Å; F247-F256 HydrophobicContact CE2-CE1 3.76Å; F247-F256 HydrophobicContact CE2-CE2 4.39Å; F247-F256 HydrophobicContact CE2-CG 4.22Å; F247-F256 HydrophobicContact CE2-CZ 4.03Å; F247-F256 HydrophobicContact CZ-CD1 4.25Å; F247-F256 HydrophobicContact CZ-CD2 4.09Å; F247-F256 AromaticContact CZ-CE1 3.96Å; F247-F256 HydrophobicContact CZ-CE1 3.96Å; F247-F256 AromaticContact CZ-CE2 3.81Å; F247-F256 HydrophobicContact CZ-CE2 3.81Å; F247-F256 HydrophobicContact CZ-CG 4.29Å; F247-F256 AromaticContact CZ-CZ 3.73Å; F247-F256 HydrophobicContact CZ-CZ 3.73Å; R252-F256 PolarHBondContact O-N 2.77Å; L253-F256 WeakPolarHBondContact O-CA 3.48Å; L253-F256 WeakPolarHBondContact O-CB 3.47Å; L253-F256 PolarHBondContact O-N 2.92Å; F256-S258 PolarHBondContact O-N 2.64Å; F256-R260 VanDerWaalsContact CE1-NH1 3.34Å; F256-R260 WeakPolarHBondContact O-CA 3.21Å; F256-R260 WeakPolarHBondContact O-CD 3.41Å; F256-R260 PolarHBondContact O-N 2.79Å; F256-I262 HydrophobicContact CD2-CG1 3.76Å; F256-I262 HydrophobicContact CE2-CD1 4.4Å; F256-I262 HydrophobicContact CE2-CG1 4.04Å
257D82.6Confident89.5Confident113 Ų11347.2 Ų47.260%0.60424%0.24SC*.Hα-helixtrans-66.4-39.2179.9-68.4-25.5000112.4L253L253-D257 PolarHBondContact O-N 2.78Å
258S79.4Confident89.4Confident74 Ų7448.1 Ų48.152%0.51725%0.246SC..Hα-helixtrans-79.1-54.1179.658.80000113.1S254 K255 F256S254-S258 PolarHBondContact O-N 3.2Å; S254-S258 PolarHBondContact O-OG 2.91Å; K255-S258 PolarHBondContact O-OG 3.27Å; F256-S258 PolarHBondContact O-N 2.64Å
259E76.1Confident89.3Confident121 Ų12146.2 Ų46.257%0.56524%0.242SC*.Hα-helixtrans-102-11.1-169-63.9172.7-15800113.2K255 S261K255-E259 WeakPolarHBondContact O-CB 3.46Å; K255-E259 PolarHBondContact O-N 2.8Å; E259-S261 PolarHBondContact O-N 2.79Å
260R76.9Confident89.4Confident86 Ų8647.1 Ų47.133%0.32525%0.246SC..  trans53.229.6-168.9-63.7-70.5-174.7174.82.4112.5V220 F256V220-R260 HydrophobicContact CG2-CB 3.45Å; V220-R260 VanDerWaalsContact CG2-CB 3.45Å; V220-R260 HydrophobicContact CG2-CG 4.28Å; F256-R260 VanDerWaalsContact CE1-NH1 3.34Å; F256-R260 WeakPolarHBondContact O-CA 3.21Å; F256-R260 WeakPolarHBondContact O-CD 3.41Å; F256-R260 PolarHBondContact O-N 2.79Å
261S80.8Confident89.5Confident9 Ų948 Ų486%0.06325%0.249CC..  trans-106.1130.8175.9-168.70000110E259 S263E259-S261 PolarHBondContact O-N 2.79Å; S261-S263 PolarHBondContact O-N 2.95Å
262I92.9Very high89.5Confident2 Ų250.8 Ų50.81%0.0126%0.262CS..EExtended strand (participates in β ladder)trans-89.598.5179.1-64.2160.8000107.6K212 F213 M215 F247 V251 F256 F264 M274K212-I262 CarbonylContact C-O 3.51Å; K212-I262 VanDerWaalsContact CA-O 3.31Å; K212-I262 WeakPolarHBondContact CA-O 3.42Å; F213-I262 HydrophobicContact CB-CB 4.23Å; F213-I262 HydrophobicContact CB-CG2 4.34Å; F213-I262 HydrophobicContact CD1-CB 4.3Å; F213-I262 HydrophobicContact CD1-CD1 3.64Å; F213-I262 HydrophobicContact CE1-CD1 4.12Å; F213-I262 PolarHBondContact N-O 3Å; F213-I262 PolarHBondContact O-N 3.3Å; M215-I262 HydrophobicContact CE-CD1 3.49Å; M215-I262 VanDerWaalsContact CE-CD1 3.49Å; F247-I262 HydrophobicContact CD1-CD1 4.5Å; F247-I262 HydrophobicContact CE1-CD1 3.51Å; F247-I262 HydrophobicContact CE1-CG1 3.76Å; F247-I262 HydrophobicContact CE1-CG2 4.49Å; F247-I262 HydrophobicContact CZ-CD1 4.08Å; F247-I262 HydrophobicContact CZ-CG1 4.17Å; V251-I262 HydrophobicContact CG1-CG2 3.92Å; V251-I262 HydrophobicContact CG2-CG2 3.88Å; F256-I262 HydrophobicContact CD2-CG1 3.76Å; F256-I262 HydrophobicContact CE2-CD1 4.4Å; F256-I262 HydrophobicContact CE2-CG1 4.04Å; I262-F264 HydrophobicContact CG2-CD1 3.85Å; I262-F264 HydrophobicContact CG2-CE1 4.1Å; I262-M274 HydrophobicContact CD1-SD 3.82Å
263S95.2Very high89.7Confident1 Ų146.5 Ų46.51%0.00725%0.245CC..EExtended strand (participates in β ladder)trans-106128.6178.2167.40000109.8E210 C211 R252 K255 S261E210-S263 PolarHBondContact OE1-OG 3.22Å; C211-S263 WeakPolarHBondContact O-CA 3.28Å; R252-S263 PolarHBondContact N-O 3.26Å; K255-S263 PolarHBondContact NZ-OG 3.33Å; S261-S263 PolarHBondContact O-N 2.95Å
264F96.3Very high89.9Confident0 Ų042 Ų420%022%0.222CC..EExtended strand (participates in β ladder)trans-158.2160.9-172.760.9-77.7000112.4M201 C211 F213 C250 V251 I262 P266 F271 L273M201-F264 HydrophobicContact CE-CE2 4.15Å; M201-F264 HydrophobicContact CE-CZ 4.34Å; M201-F264 HydrophobicContact SD-CE2 3.67Å; M201-F264 HydrophobicContact SD-CZ 3.84Å; C211-F264 HydrophobicContact CB-CD1 4.26Å; C211-F264 HydrophobicContact CB-CD2 4.15Å; C211-F264 HydrophobicContact CB-CE1 3.87Å; C211-F264 HydrophobicContact CB-CE2 3.76Å; C211-F264 HydrophobicContact CB-CG 4.39Å; C211-F264 HydrophobicContact CB-CZ 3.61Å; C211-F264 PolarHBondContact N-O 3.23Å; C211-F264 PolarHBondContact O-N 3.48Å; F213-F264 HydrophobicContact CB-CE1 3.81Å; F213-F264 HydrophobicContact CB-CZ 4.46Å; C250-F264 HydrophobicContact CB-CB 4.36Å; C250-F264 VanDerWaalsContact O-CA 3.22Å; C250-F264 WeakPolarHBondContact O-CA 3.45Å; C250-F264 WeakPolarHBondContact O-CB 3.35Å; V251-F264 HydrophobicContact CG2-CB 4.12Å; I262-F264 HydrophobicContact CG2-CD1 3.85Å; I262-F264 HydrophobicContact CG2-CE1 4.1Å; F264-P266 HydrophobicContact CD2-CB 4.11Å; F264-P266 HydrophobicContact CE2-CB 3.93Å; F264-P266 HydrophobicContact CE2-CG 4.47Å; F264-F271 HydrophobicContact CE2-CZ 4.23Å; F264-L273 HydrophobicContact CD1-CD1 4.01Å; F264-L273 HydrophobicContact CD2-CD1 3.78Å; F264-L273 HydrophobicContact CE1-CD1 3.96Å; F264-L273 HydrophobicContact CE1-CD2 3.87Å; F264-L273 HydrophobicContact CE2-CD1 3.71Å; F264-L273 HydrophobicContact CE2-CD2 4.24Å; F264-L273 HydrophobicContact CG-CD1 3.93Å; F264-L273 HydrophobicContact CZ-CD1 3.81Å; F264-L273 HydrophobicContact CZ-CD2 3.62Å; F264-L273 HydrophobicContact CZ-CG 4.38Å
265I96.1Very high90.4Very high15 Ų1544.2 Ų44.28%0.07722%0.216CC..  trans-107112.5166-66.6167.8000106.6I158 W160 R161 M208 C250I158-I265 HydrophobicContact CD1-CD1 3.44Å; I158-I265 VanDerWaalsContact CD1-CD1 3.44Å; W160-I265 PolarHBondContact NE1-O 3.49Å; R161-I265 HydrophobicContact CB-CG2 4.4Å; M208-I265 HydrophobicContact CE-CG2 4.28Å; C250-I265 WeakPolarHBondContact CB-O 3.3Å
266P96Very high90.9Very high0 Ų042 Ų420%021%0.206CC..PPolyproline II helixtrans-70.3135.2-170.826-32.2000112R161 M201 L205 P209 F264 F271R161-P266 WeakPolarHBondContact CD-O 3.47Å; R161-P266 PolarHBondContact NH1-O 3.48Å; M201-P266 HydrophobicContact CE-CB 4.13Å; M201-P266 HydrophobicContact CE-CG 4.39Å; M201-P266 HydrophobicContact SD-CB 4.45Å; L205-P266 HydrophobicContact CD1-CG 4.13Å; P209-P266 HydrophobicContact CG-CG 4.41Å; P209-P266 WeakPolarHBondContact O-CD 3.33Å; F264-P266 HydrophobicContact CD2-CB 4.11Å; F264-P266 HydrophobicContact CE2-CB 3.93Å; F264-P266 HydrophobicContact CE2-CG 4.47Å; P266-F271 HydrophobicContact CB-CE1 3.75Å; P266-F271 HydrophobicContact CB-CZ 3.72Å
267P94.1Very high91.3Very high15 Ų1546.8 Ų46.810%0.09722%0.224CC..PPolyproline II helixtrans-48.7151.8157.6-23.331.9000111.4W160 S203 F271W160-P267 HydrophobicContact CB-CG 4.19Å; W160-P267 HydrophobicContact CG-CG 4.21Å; S203-P267 WeakPolarHBondContact CB-O 3.22Å; P267-F271 HydrophobicContact CB-CB 4.42Å; P267-F271 HydrophobicContact CB-CD1 4Å; P267-F271 HydrophobicContact CB-CE1 4.47Å; P267-F271 HydrophobicContact CB-CG 4.11Å; P267-F271 HydrophobicContact CG-CB 4.42Å; P267-F271 HydrophobicContact CG-CD1 4.15Å; P267-F271 HydrophobicContact CG-CD2 3.97Å; P267-F271 HydrophobicContact CG-CE1 4.45Å; P267-F271 HydrophobicContact CG-CE2 4.28Å; P267-F271 HydrophobicContact CG-CG 3.92Å
268D92.9Very high91.9Very high60 Ų6041.4 Ų41.432%0.32120%0.195SC..SBendtrans-79.1141.5176.5-159.959.1000111.4R161 I165 Y167R161-D268 IonicContact NH1-OD1 2.76Å; R161-D268 PolarHBondContact NH1-OD1 2.82Å; I165-D268 HydrophobicContact CD1-CB 3.8Å; Y167-D268 WeakPolarHBondContact CE2-OD1 3.07Å; Y167-D268 VanDerWaalsContact OH-CG 3.28Å; Y167-D268 PolarHBondContact OH-OD1 3.31Å; Y167-D268 PolarHBondContact OH-OD2 2.9Å
269G93.2Very high92.6Very high15 Ų1540.8 Ų40.816%0.15519%0.189CC..EExtended strand (participates in β ladder)trans79.5-148.6-176.300000113.8K202 S203K202-G269 CarbonylContact C-O 3.55Å; K202-G269 WeakPolarHBondContact CA-O 3.24Å; S203-G269 PolarHBondContact N-O 2.9Å; S203-G269 PolarHBondContact O-N 2.84Å
270E94.2Very high93.1Very high124 Ų12441.2 Ų41.258%0.57919%0.189SC*.EExtended strand (participates in β ladder)trans-89.1126.3-174.8-174.1173.6151.100112.1V200 M201 K202V200-E270 HydrophobicContact CG1-CG 3.76Å; M201-E270 CarbonylContact O-C 3.58Å; M201-E270 WeakPolarHBondContact O-CA 3.3Å; K202-E270 WeakPolarHBondContact CE-OE2 3.27Å; K202-E270 HydrophobicContact CG-CB 4.04Å; K202-E270 HydrophobicContact CG-CG 4.02Å; K202-E270 IonicContact NZ-OE2 3.06Å; K202-E270 PolarHBondContact NZ-OE2 3.14Å
271F94Very high93.6Very high21 Ų2142.7 Ų42.79%0.09220%0.203CC..EExtended strand (participates in β ladder)trans-149.6158.4173.871.9-78.3000111.7M201 F264 P266 P267 L273M201-F271 HydrophobicContact CB-CD1 4.35Å; M201-F271 HydrophobicContact CB-CE1 3.79Å; M201-F271 HydrophobicContact CB-CZ 3.88Å; M201-F271 HydrophobicContact CG-CE1 3.82Å; M201-F271 HydrophobicContact CG-CZ 4.03Å; M201-F271 PolarHBondContact N-O 2.82Å; M201-F271 PolarHBondContact O-N 2.82Å; M201-F271 HydrophobicContact SD-CE1 4.01Å; M201-F271 HydrophobicContact SD-CZ 3.7Å; F264-F271 HydrophobicContact CE2-CZ 4.23Å; P266-F271 HydrophobicContact CB-CE1 3.75Å; P266-F271 HydrophobicContact CB-CZ 3.72Å; P267-F271 HydrophobicContact CB-CB 4.42Å; P267-F271 HydrophobicContact CB-CD1 4Å; P267-F271 HydrophobicContact CB-CE1 4.47Å; P267-F271 HydrophobicContact CB-CG 4.11Å; P267-F271 HydrophobicContact CG-CB 4.42Å; P267-F271 HydrophobicContact CG-CD1 4.15Å; P267-F271 HydrophobicContact CG-CD2 3.97Å; P267-F271 HydrophobicContact CG-CE1 4.45Å; P267-F271 HydrophobicContact CG-CE2 4.28Å; P267-F271 HydrophobicContact CG-CG 3.92Å; F271-L273 HydrophobicContact CE2-CB 3.9Å; F271-L273 HydrophobicContact CE2-CD1 3.97Å; F271-L273 HydrophobicContact CZ-CB 4.49Å; F271-L273 HydrophobicContact CZ-CD1 4.45Å
272E96.3Very high94.1Very high69 Ų6943.7 Ų43.732%0.32221%0.207SC..EExtended strand (participates in β ladder)trans-86.4112.2172.6-171.1174.3122.100109.1R198 H248R198-E272 HydrophobicContact CB-CG 4.22Å; R198-E272 WeakPolarHBondContact CD-OE2 3.5Å; R198-E272 IonicContact NH1-OE2 3.14Å; R198-E272 PolarHBondContact NH1-OE2 3.13Å; H248-E272 WeakPolarHBondContact CB-O 3.37Å
273L96.8Very high94.1Very high0 Ų046.2 Ų46.20%022%0.22CC..EExtended strand (participates in β ladder)trans-74.8-44.8-178.5173.563.2000111.6V199 F213 H248 V251 F264 F271V199-L273 PolarHBondContact O-N 2.8Å; F213-L273 HydrophobicContact CB-CD2 4.44Å; F213-L273 HydrophobicContact CG-CD2 4.39Å; H248-L273 PolarHBondContact N-O 2.82Å; V251-L273 HydrophobicContact CG2-CD1 3.8Å; F264-L273 HydrophobicContact CD1-CD1 4.01Å; F264-L273 HydrophobicContact CD2-CD1 3.78Å; F264-L273 HydrophobicContact CE1-CD1 3.96Å; F264-L273 HydrophobicContact CE1-CD2 3.87Å; F264-L273 HydrophobicContact CE2-CD1 3.71Å; F264-L273 HydrophobicContact CE2-CD2 4.24Å; F264-L273 HydrophobicContact CG-CD1 3.93Å; F264-L273 HydrophobicContact CZ-CD1 3.81Å; F264-L273 HydrophobicContact CZ-CD2 3.62Å; F264-L273 HydrophobicContact CZ-CG 4.38Å; F271-L273 HydrophobicContact CE2-CB 3.9Å; F271-L273 HydrophobicContact CE2-CD1 3.97Å; F271-L273 HydrophobicContact CZ-CB 4.49Å; F271-L273 HydrophobicContact CZ-CD1 4.45Å
274M96.3Very high94Very high2 Ų247.8 Ų47.81%0.0123%0.229CC..EExtended strand (participates in β ladder)trans-154.2154.7179.665.8174.9-66.100111.8R198 V199 F213 M215 C245 T246 F247 I262 Y276R198-M274 CarbonylContact C-O 3.52Å; R198-M274 VanDerWaalsContact CA-O 3.3Å; R198-M274 WeakPolarHBondContact CA-O 3.44Å; V199-M274 HydrophobicContact CB-CG 3.77Å; V199-M274 HydrophobicContact CG2-CG 3.61Å; V199-M274 HydrophobicContact CG2-SD 4.06Å; V199-M274 PolarHBondContact N-O 2.75Å; F213-M274 HydrophobicContact CD1-SD 4.49Å; F213-M274 HydrophobicContact CE1-SD 3.94Å; M215-M274 HydrophobicContact CE-CE 3.93Å; M215-M274 HydrophobicContact CE-SD 4.18Å; M215-M274 HydrophobicContact SD-CE 4.22Å; M215-M274 HydrophobicContact SD-SD 4.25Å; C245-M274 HydrophobicContact CB-CE 4.11Å; T246-M274 CarbonylContact O-C 3.59Å; T246-M274 VanDerWaalsContact O-CA 3.23Å; T246-M274 WeakPolarHBondContact O-CA 3.39Å; T246-M274 WeakPolarHBondContact O-CB 3.13Å; F247-M274 HydrophobicContact CD1-CB 3.62Å; F247-M274 HydrophobicContact CE1-CB 3.85Å; F247-M274 HydrophobicContact CE1-CE 3.95Å; F247-M274 HydrophobicContact CE1-SD 4.02Å; F247-M274 HydrophobicContact CZ-CE 4.42Å; I262-M274 HydrophobicContact CD1-SD 3.82Å; M274-Y276 HydrophobicContact CE-CD1 3.97Å; M274-Y276 HydrophobicContact CE-CG 4.38Å
275R97.1Very high94Very high138 Ų13847.8 Ų47.852%0.52123%0.229SC..EExtended strand (participates in β ladder)trans-120.8145.6167.9-167.3177.7175.7-179.2-2.8108.4G197 R198 C245 T246G197-R275 CarbonylContact O-C 3.56Å; G197-R275 WeakPolarHBondContact O-CA 3.42Å; G197-R275 VanDerWaalsContact O-CG 3.24Å; G197-R275 WeakPolarHBondContact O-CG 3.3Å; R198-R275 HydrophobicContact CB-CG 4.37Å; C245-R275 CarbonylContact C-O 3.43Å; C245-R275 VanDerWaalsContact CA-O 3.23Å; C245-R275 WeakPolarHBondContact CA-O 3.41Å; T246-R275 PolarHBondContact N-O 2.85Å; T246-R275 PolarHBondContact O-N 2.85Å; T246-R275 WeakPolarHBondContact OG1-CB 3.48Å
276Y95.3Very high93.9Very high6 Ų647.2 Ų47.22%0.02423%0.226CC..EExtended strand (participates in β ladder)trans-144.4158.6-179.359-84.3000111.2V176 E178 G197 V199 I240 D244 M274 L398V176-Y276 VanDerWaalsContact CG1-OH 3.24Å; V176-Y276 WeakPolarHBondContact CG1-OH 3.46Å; E178-Y276 VanDerWaalsContact CD-OH 3.31Å; E178-Y276 HydrophobicContact CG-CE2 4.45Å; E178-Y276 VanDerWaalsContact CG-OH 3.27Å; E178-Y276 WeakPolarHBondContact CG-OH 3.18Å; E178-Y276 VanDerWaalsContact OE1-CE2 3.3Å; E178-Y276 WeakPolarHBondContact OE1-CE2 3.4Å; E178-Y276 PolarHBondContact OE1-OH 2.87Å; G197-Y276 PolarHBondContact N-O 3.22Å; G197-Y276 PolarHBondContact O-N 2.83Å; G197-Y276 VanDerWaalsContact O-O 3.11Å; V199-Y276 HydrophobicContact CG2-CE1 3.97Å; I240-Y276 HydrophobicContact CD1-CD2 4.37Å; I240-Y276 HydrophobicContact CD1-CE2 4.18Å; D244-Y276 CarbonylContact O-C 3.52Å; D244-Y276 VanDerWaalsContact O-CA 3.28Å; D244-Y276 WeakPolarHBondContact O-CA 3.48Å; M274-Y276 HydrophobicContact CE-CD1 3.97Å; M274-Y276 HydrophobicContact CE-CG 4.38Å; Y276-L398 HydrophobicContact CD1-CD1 4.42Å; Y276-L398 HydrophobicContact CD2-CD1 4.4Å; Y276-L398 HydrophobicContact CE1-CD1 3.87Å; Y276-L398 HydrophobicContact CE2-CD1 3.84Å
277R95.6Very high93.9Very high111 Ų11153 Ų5342%0.41925%0.248SC..EExtended strand (participates in β ladder)trans-129.9140174.7-173.8177.167.4142.60.6110V195 D243 D244V195-R277 WeakPolarHBondContact O-CA 3.49Å; D243-R277 PolarHBondContact N-O 3.19Å; D244-R277 PolarHBondContact N-O 3.06Å; D244-R277 PolarHBondContact O-N 2.66Å; D244-R277 IonicContact OD2-CZ 3.71Å; D244-R277 IonicContact OD2-NE 3.83Å; D244-R277 PolarHBondContact OD2-NE 2.84Å; D244-R277 IonicContact OD2-NH2 2.68Å; D244-R277 PolarHBondContact OD2-NH2 2.64Å
278T94.4Very high93.9Very high0 Ų052.4 Ų52.40%024%0.244CC..EExtended strand (participates in β ladder)trans-137134.4175.1-70.30000109.4H194 V195 A241 D243 K280 I282H194-T278 CarbonylContact C-O 3.52Å; H194-T278 WeakPolarHBondContact CA-O 3.42Å; V195-T278 PolarHBondContact N-O 2.93Å; V195-T278 PolarHBondContact O-N 2.93Å; A241-T278 WeakPolarHBondContact O-CG2 3.03Å; A241-T278 PolarHBondContact O-OG1 2.91Å; D243-T278 WeakPolarHBondContact OD2-CA 3.28Å; T278-K280 WeakPolarHBondContact CG2-O 3.36Å; T278-I282 HydrophobicContact CG2-CG1 4.32Å; T278-I282 WeakPolarHBondContact O-CD1 3.4Å
279T93.5Very high93.9Very high62 Ų6252 Ų5238%0.3824%0.241SC..  trans-112.2-12.1177.855.90000112.6H194 D243H194-T279 HydrophobicContact CB-CG2 3.82Å; D243-T279 PolarHBondContact OD1-OG1 3.49Å; D243-T279 WeakPolarHBondContact OD2-CB 3.44Å; D243-T279 WeakPolarHBondContact OD2-CG2 3.32Å; D243-T279 PolarHBondContact OD2-N 2.91Å; D243-T279 PolarHBondContact OD2-OG1 2.9Å
280K87.3Confident93.9Very high129 Ų12951.8 Ų51.856%0.56124%0.236SC*.SBendtrans-111.2153.1-175.2-62.5-179.6-177174.70111.9T278 I282T278-K280 WeakPolarHBondContact CG2-O 3.36Å; K280-I282 PolarHBondContact O-N 2.89Å; K280-I282 VanDerWaalsContact O-N 3.09Å
281D86.9Confident93.8Very high118 Ų11850.5 Ų50.563%0.63123%0.233SC*.SBendtrans54.530.8172.5-54.4-39.2000114.8
282I91.6Very high93.7Very high29 Ų2951.1 Ų51.115%0.14924%0.239CC..  trans-77.2131.3-178.9-58.5162.5000110.4A193 H194 V195 T278 K280 L284A193-I282 HydrophobicContact CB-CD1 4.23Å; H194-I282 VanDerWaalsContact CA-CD1 3.47Å; V195-I282 HydrophobicContact CG2-CB 4.34Å; V195-I282 HydrophobicContact CG2-CD1 4.07Å; V195-I282 HydrophobicContact CG2-CG1 3.92Å; V195-I282 HydrophobicContact CG2-CG2 3.49Å; V195-I282 VanDerWaalsContact CG2-CG2 3.49Å; T278-I282 HydrophobicContact CG2-CG1 4.32Å; T278-I282 WeakPolarHBondContact O-CD1 3.4Å; K280-I282 PolarHBondContact O-N 2.89Å; K280-I282 VanDerWaalsContact O-N 3.09Å; I282-L284 HydrophobicContact CG2-CD2 4.13Å; I282-L284 PolarHBondContact O-N 3.4Å
283I92.1Very high93.5Very high55 Ų5555 Ų5528%0.28225%0.25SS..  trans-83107.8170.9-55.9171.2000108.5P285 F393 P395I283-P285 VanDerWaalsContact O-CD 3.22Å; I283-P285 WeakPolarHBondContact O-CD 3.41Å; I283-F393 HydrophobicContact CB-CE2 4.3Å; I283-F393 HydrophobicContact CG2-CE2 4.04Å; I283-F393 HydrophobicContact CG2-CZ 4.35Å; I283-P395 PolarHBondContact N-O 2.88Å
284L94.4Very high93.1Very high35 Ų3559.7 Ų59.718%0.18327%0.272CS..  trans-76.1114.2174-61.1-177.8000110V180 L182 V190 A193 I282 F286V180-L284 HydrophobicContact CG1-CD2 4.19Å; L182-L284 HydrophobicContact CD1-CD1 3.83Å; L182-L284 HydrophobicContact CD1-CD2 3.87Å; L182-L284 HydrophobicContact CD2-CD1 4.34Å; L182-L284 HydrophobicContact CD2-CD2 4.47Å; V190-L284 HydrophobicContact CG2-CD1 3.67Å; A193-L284 HydrophobicContact CB-CD2 4.43Å; I282-L284 HydrophobicContact CG2-CD2 4.13Å; I282-L284 PolarHBondContact O-N 3.4Å; L284-F286 VanDerWaalsContact C-N 3.27Å; L284-F286 PolarHBondContact O-N 2.8Å
285P95.3Very high92.8Very high0 Ų062.2 Ų62.20%029%0.288CS..SBendtrans-70.3-24.8-172.9-20.434.2000113.6I283 S308 N309 F310 F389 V391 F393 P395I283-P285 VanDerWaalsContact O-CD 3.22Å; I283-P285 WeakPolarHBondContact O-CD 3.41Å; P285-S308 WeakPolarHBondContact O-CA 3.47Å; P285-N309 PolarHBondContact O-N 2.89Å; P285-F310 HydrophobicContact CB-CD1 4.11Å; P285-F310 VanDerWaalsContact O-CD1 3.25Å; P285-F310 WeakPolarHBondContact O-CD1 3.37Å; P285-F389 HydrophobicContact CB-CE2 4.11Å; P285-F389 HydrophobicContact CB-CZ 4.3Å; P285-F389 HydrophobicContact CG-CE2 3.81Å; P285-F389 HydrophobicContact CG-CZ 3.96Å; P285-V391 HydrophobicContact CB-CG1 4.08Å; P285-V391 HydrophobicContact CB-CG2 4.49Å; P285-V391 HydrophobicContact CG-CG2 4.23Å; P285-F393 HydrophobicContact CB-CE1 4.42Å; P285-F393 HydrophobicContact CB-CZ 4Å; P285-F393 HydrophobicContact CG-CZ 3.87Å; P285-P395 HydrophobicContact CG-CG 4.34Å
286F95.8Very high92.2Very high3 Ų359 Ų591%0.01330%0.297CS..EExtended strand (participates in β ladder)trans-132.2162.8179.5-66.9-81000111.2L284 K307 F310 A316 I319 M357 M387 F389 V391 Y430L284-F286 VanDerWaalsContact C-N 3.27Å; L284-F286 PolarHBondContact O-N 2.8Å; F286-K307 CarbonylContact C-O 3.59Å; F286-K307 VanDerWaalsContact CA-O 3.23Å; F286-K307 WeakPolarHBondContact CA-O 3.46Å; F286-F310 HydrophobicContact CE1-CE1 4.2Å; F286-F310 HydrophobicContact CE2-CE1 4.32Å; F286-F310 AromaticContact CZ-CE1 3.94Å; F286-F310 HydrophobicContact CZ-CE1 3.94Å; F286-F310 HydrophobicContact CZ-CZ 4.46Å; F286-A316 HydrophobicContact CE2-CB 4.12Å; F286-A316 HydrophobicContact CZ-CB 3.53Å; F286-I319 HydrophobicContact CE1-CD1 4.32Å; F286-I319 HydrophobicContact CZ-CD1 3.9Å; F286-I319 HydrophobicContact CZ-CG1 4.3Å; F286-M357 HydrophobicContact CE1-SD 3.91Å; F286-M387 HydrophobicContact CB-CE 4.01Å; F286-M387 HydrophobicContact CB-SD 3.75Å; F286-M387 HydrophobicContact CD1-CE 3.49Å; F286-M387 VanDerWaalsContact CD1-CE 3.49Å; F286-M387 HydrophobicContact CD1-SD 4.37Å; F286-M387 HydrophobicContact CD2-CE 3.63Å; F286-M387 HydrophobicContact CD2-SD 4.13Å; F286-M387 HydrophobicContact CE1-CE 3.75Å; F286-M387 HydrophobicContact CE2-CE 3.9Å; F286-M387 HydrophobicContact CG-CE 3.41Å; F286-M387 VanDerWaalsContact CG-CE 3.41Å; F286-M387 HydrophobicContact CG-SD 3.83Å; F286-M387 HydrophobicContact CZ-CE 3.94Å; F286-F389 HydrophobicContact CD2-CB 4.34Å; F286-F389 AromaticContact CD2-CD1 3.58Å; F286-F389 HydrophobicContact CD2-CD1 3.58Å; F286-F389 HydrophobicContact CD2-CD2 4.19Å; F286-F389 AromaticContact CD2-CE1 3.83Å; F286-F389 HydrophobicContact CD2-CE1 3.83Å; F286-F389 HydrophobicContact CD2-CE2 4.41Å; F286-F389 AromaticContact CD2-CG 3.77Å; F286-F389 HydrophobicContact CD2-CG 3.77Å; F286-F389 HydrophobicContact CD2-CZ 4.25Å; F286-F389 HydrophobicContact CE2-CB 3.71Å; F286-F389 AromaticContact CE2-CD1 3.84Å; F286-F389 HydrophobicContact CE2-CD1 3.84Å; F286-F389 AromaticContact CE2-CD2 3.89Å; F286-F389 HydrophobicContact CE2-CD2 3.89Å; F286-F389 HydrophobicContact CE2-CE1 4.43Å; F286-F389 HydrophobicContact CE2-CE2 4.49Å; F286-F389 AromaticContact CE2-CG 3.53Å; F286-F389 HydrophobicContact CE2-CG 3.53Å; F286-F389 HydrophobicContact CZ-CB 4.48Å; F286-V391 HydrophobicContact CE2-CG1 4.25Å; F286-Y430 PolarHBondContact O-OH 2.81Å
287R94.1Very high91.7Very high122 Ų12269 Ų6946%0.4634%0.335SS..EExtended strand (participates in β ladder)trans-132.7122.2164.4-173.4174-177168.80.2107.5M184 G188 I289 I306 K307M184-R287 HydrophobicContact CE-CG 4.27Å; M184-R287 HydrophobicContact SD-CG 4.44Å; G188-R287 PolarHBondContact O-NH2 2.87Å; R287-I289 HydrophobicContact CG-CG1 4.22Å; R287-I306 WeakPolarHBondContact O-CA 3.24Å; R287-K307 HydrophobicContact CB-CB 4.49Å; R287-K307 PolarHBondContact N-O 2.83Å; R287-K307 PolarHBondContact O-N 3.2Å
288V94.4Very high91.4Very high2 Ų267.4 Ų67.41%0.01234%0.338CS..EExtended strand (participates in β ladder)trans-102.2122.8179.1-1750000108.1M184 P290 V304 V305 I306 I385 M387 Y430M184-V288 WeakPolarHBondContact CE-O 3.02Å; V288-P290 WeakPolarHBondContact O-CD 3.35Å; V288-V304 HydrophobicContact CG1-CG1 3.67Å; V288-V305 CarbonylContact C-O 3.53Å; V288-I306 HydrophobicContact CG1-CG2 4.31Å; V288-I306 HydrophobicContact CG2-CG2 4.15Å; V288-I385 HydrophobicContact CG1-CG2 4.17Å; V288-M387 HydrophobicContact CG2-CB 4.43Å; V288-M387 HydrophobicContact CG2-SD 3.79Å; V288-Y430 HydrophobicContact CG2-CE1 4.48Å
289I93.4Very high91.3Very high51 Ų5170.1 Ų70.126%0.26235%0.349SS..EExtended strand (participates in β ladder)trans-116.697.5-178.5-54.4173000107.1R287 V305 K307R287-I289 HydrophobicContact CG-CG1 4.22Å; I289-V305 HydrophobicContact CB-CB 4.31Å; I289-V305 PolarHBondContact N-O 2.96Å; I289-V305 PolarHBondContact O-N 2.83Å; I289-K307 HydrophobicContact CD1-CD 4.34Å
290P93.5Very high91.2Very high10 Ų1067.2 Ų67.27%0.06533%0.331CS..EExtended strand (participates in β ladder)trans-80.8137.1174.330.9-31.6000111.1V288 I385 T432 C434V288-P290 WeakPolarHBondContact O-CD 3.35Å; P290-I385 HydrophobicContact CB-CD1 3.69Å; P290-T432 HydrophobicContact CG-CG2 3.87Å; P290-C434 HydrophobicContact CB-CB 3.92Å; P290-C434 HydrophobicContact CG-CB 4.08Å
291L92.5Very high91.6Very high98 Ų9863.1 Ų63.151%0.51331%0.314SS..EExtended strand (participates in β ladder)trans-126.9111.8169.8-65.3169.5000107V302 K303L291-V302 WeakPolarHBondContact O-CA 2.98Å; L291-K303 HydrophobicContact CB-CB 4.23Å; L291-K303 HydrophobicContact CD1-CD 4.37Å; L291-K303 PolarHBondContact N-O 2.92Å; L291-K303 PolarHBondContact O-N 2.92Å
292V91.4Very high92Very high34 Ų3458 Ų5821%0.20629%0.287CS..EExtended strand (participates in β ladder)trans-117.9122.6-177.4-179.20000108.7L300 E301 V302 C434V292-L300 HydrophobicContact CG1-CD1 3.59Å; V292-L300 HydrophobicContact CG1-CD2 4.47Å; V292-L300 HydrophobicContact CG1-CG 4.21Å; V292-E301 WeakPolarHBondContact CA-O 3.32Å; V292-V302 HydrophobicContact CG1-CG2 4.34Å; V292-V302 HydrophobicContact CG2-CG1 4.3Å; V292-V302 HydrophobicContact CG2-CG2 4.33Å; V292-C434 HydrophobicContact CG2-CB 4.02Å
293R91.3Very high92.1Very high150 Ų15060.4 Ų60.457%0.56630%0.296SS*.EExtended strand (participates in β ladder)trans-123.3121.8179.2-176.1174.875.71697.2109.8V295 E301R293-V295 HydrophobicContact CG-CG2 4.3Å; R293-E301 HydrophobicContact CB-CB 4.4Å; R293-E301 IonicContact CZ-OE1 3.19Å; R293-E301 IonicContact CZ-OE2 2.66Å; R293-E301 PolarHBondContact N-O 3.47Å; R293-E301 IonicContact NE-OE2 2.64Å; R293-E301 PolarHBondContact NE-OE2 2.9Å; R293-E301 IonicContact NH2-OE1 2.74Å; R293-E301 PolarHBondContact NH2-OE1 2.95Å; R293-E301 IonicContact NH2-OE2 3.76Å; R293-E301 PolarHBondContact NH2-OE2 3.41Å; R293-E301 PolarHBondContact O-N 3.09Å
294E88.8Confident92.3Very high99 Ų9957.8 Ų57.846%0.46328%0.283SS..EExtended strand (participates in β ladder)trans-84.1129.2170.4-75.4169-153.700109.2L300 R382E294-L300 HydrophobicContact CB-CD1 4.41Å; E294-L300 HydrophobicContact CG-CD1 3.42Å; E294-L300 VanDerWaalsContact CG-CD1 3.42Å; E294-R382 IonicContact OE1-CZ 3.96Å; E294-R382 IonicContact OE1-NE 3.98Å; E294-R382 IonicContact OE1-NH2 3.9Å; E294-R382 PolarHBondContact OE1-NH2 2.89Å
295V89.6Confident92.3Very high55 Ų5556.6 Ų56.633%0.33328%0.277SS..EExtended strand (participates in β ladder)trans-116100178.1-178.30000107.7R293 K299 E301R293-V295 HydrophobicContact CG-CG2 4.3Å; V295-K299 HydrophobicContact CB-CB 4.19Å; V295-K299 PolarHBondContact N-O 2.83Å; V295-K299 PolarHBondContact O-N 3.38Å; V295-E301 HydrophobicContact CG2-CG 4.24Å
296G85.7Confident92.3Very high69 Ų6956.6 Ų56.671%0.71128%0.277SS*.THydrogen-bonded Turntrans64.6-137-173.600000112.1
297R84.2Confident92.3Very high217 Ų21760.2 Ų60.282%0.81929%0.293SS*.THydrogen-bonded Turntrans-114.2-3.1178-65.8-172.5179.3176.72.3114.1
298T89.2Confident92.4Very high78 Ų7854.7 Ų54.748%0.47927%0.273SS..THydrogen-bonded Turntrans-118.7-6.2-168.453.30000113.1L371 P373T298-L371 PolarHBondContact O-N 2.77Å; T298-P373 HydrophobicContact CG2-CG 4.13Å
299K91.9Very high92.4Very high56 Ų5658.8 Ų58.824%0.24330%0.295CS..EExtended strand (participates in β ladder)trans-141.8138.3-177.1-170.3179.1-173.8-175.60111.7V295 E301 E368 I369V295-K299 HydrophobicContact CB-CB 4.19Å; V295-K299 PolarHBondContact N-O 2.83Å; V295-K299 PolarHBondContact O-N 3.38Å; K299-E301 IonicContact NZ-OE1 2.67Å; K299-E368 VanDerWaalsContact CE-CD 3.47Å; K299-E368 WeakPolarHBondContact CE-OE2 3.12Å; K299-E368 IonicContact NZ-OE1 3.03Å; K299-E368 PolarHBondContact NZ-OE1 3.24Å; K299-E368 VanDerWaalsContact NZ-OE1 3.15Å; K299-E368 IonicContact NZ-OE2 2.59Å; K299-E368 PolarHBondContact NZ-OE2 2.69Å; K299-I369 CarbonylContact C-O 3.54Å; K299-I369 WeakPolarHBondContact CA-O 3.33Å
300L92.7Very high92.5Very high1 Ų157.1 Ų57.11%0.00529%0.286CS..EExtended strand (participates in β ladder)trans-125.6123.7173.1-176.675.9000108.5V292 E294 V302 P326 I369 L371 W380V292-L300 HydrophobicContact CG1-CD1 3.59Å; V292-L300 HydrophobicContact CG1-CD2 4.47Å; V292-L300 HydrophobicContact CG1-CG 4.21Å; E294-L300 HydrophobicContact CB-CD1 4.41Å; E294-L300 HydrophobicContact CG-CD1 3.42Å; E294-L300 VanDerWaalsContact CG-CD1 3.42Å; L300-V302 HydrophobicContact CD2-CG2 4.04Å; L300-V302 HydrophobicContact CG-CG2 4.06Å; L300-P326 HydrophobicContact CD2-CG 3.94Å; L300-I369 HydrophobicContact CB-CB 4.2Å; L300-I369 HydrophobicContact CD2-CD1 4.12Å; L300-I369 PolarHBondContact N-O 2.84Å; L300-I369 PolarHBondContact O-N 3.09Å; L300-L371 HydrophobicContact CB-CD1 4.13Å; L300-L371 HydrophobicContact CB-CG 4.49Å; L300-W380 HydrophobicContact CD2-CE3 4.33Å; L300-W380 HydrophobicContact CD2-CZ3 3.74Å
301E94.8Very high92.6Very high44 Ų4463.7 Ų63.721%0.20631%0.313CS..EExtended strand (participates in β ladder)trans-103.1128.5174.6-67.8176.2-164.200109.7V292 R293 V295 K299 A367V292-E301 WeakPolarHBondContact CA-O 3.32Å; R293-E301 HydrophobicContact CB-CB 4.4Å; R293-E301 IonicContact CZ-OE1 3.19Å; R293-E301 IonicContact CZ-OE2 2.66Å; R293-E301 PolarHBondContact N-O 3.47Å; R293-E301 IonicContact NE-OE2 2.64Å; R293-E301 PolarHBondContact NE-OE2 2.9Å; R293-E301 IonicContact NH2-OE1 2.74Å; R293-E301 PolarHBondContact NH2-OE1 2.95Å; R293-E301 IonicContact NH2-OE2 3.76Å; R293-E301 PolarHBondContact NH2-OE2 3.41Å; R293-E301 PolarHBondContact O-N 3.09Å; V295-E301 HydrophobicContact CG2-CG 4.24Å; K299-E301 IonicContact NZ-OE1 2.67Å; E301-A367 WeakPolarHBondContact CA-O 3.4Å
302V94.6Very high92.8Very high9 Ų963.1 Ų63.16%0.05532%0.316CS..EExtended strand (participates in β ladder)trans-125.7120-178.2-178.80000109L291 V292 L300 V304 I323 S366 A367 I369L291-V302 WeakPolarHBondContact O-CA 2.98Å; V292-V302 HydrophobicContact CG1-CG2 4.34Å; V292-V302 HydrophobicContact CG2-CG1 4.3Å; V292-V302 HydrophobicContact CG2-CG2 4.33Å; L300-V302 HydrophobicContact CD2-CG2 4.04Å; L300-V302 HydrophobicContact CG-CG2 4.06Å; V302-V304 HydrophobicContact CG1-CG2 3.87Å; V302-I323 HydrophobicContact CG1-CG2 3.86Å; V302-S366 CarbonylContact O-C 3.43Å; V302-S366 WeakPolarHBondContact O-CA 3.3Å; V302-A367 PolarHBondContact N-O 2.76Å; V302-A367 PolarHBondContact O-N 3.38Å; V302-I369 HydrophobicContact CG2-CD1 3.83Å
303K95.2Very high93Very high80 Ų8066.5 Ų66.535%0.34834%0.34SS..EExtended strand (participates in β ladder)trans-114.9125.4170.2-178.9177.2-177.7178.70108.9L291 I365L291-K303 HydrophobicContact CB-CB 4.23Å; L291-K303 HydrophobicContact CD1-CD 4.37Å; L291-K303 PolarHBondContact N-O 2.92Å; L291-K303 PolarHBondContact O-N 2.92Å; K303-I365 WeakPolarHBondContact CA-O 3.37Å
304V95.3Very high93.2Very high0 Ų061.5 Ų61.50%033%0.325CS..EExtended strand (participates in β ladder)trans-121.3122.7177.6-176.10000108.8V288 V302 I306 I323 Q364 I365 I385V288-V304 HydrophobicContact CG1-CG1 3.67Å; V302-V304 HydrophobicContact CG1-CG2 3.87Å; V304-I306 HydrophobicContact CG1-CG2 4.38Å; V304-I323 HydrophobicContact CB-CD1 4.15Å; V304-I323 HydrophobicContact CG2-CD1 3.68Å; V304-I323 HydrophobicContact CG2-CG1 4.08Å; V304-I323 HydrophobicContact CG2-CG2 4.39Å; V304-Q364 VanDerWaalsContact O-CA 3.3Å; V304-Q364 WeakPolarHBondContact O-CA 3.27Å; V304-I365 HydrophobicContact CB-CG2 3.76Å; V304-I365 HydrophobicContact CG2-CG2 4.47Å; V304-I365 PolarHBondContact N-O 2.81Å; V304-I365 PolarHBondContact O-N 2.51Å; V304-I385 HydrophobicContact CG1-CD1 4.33Å; V304-I385 HydrophobicContact CG2-CD1 3.56Å
305V95.1Very high93.6Very high11 Ų1160.5 Ų60.57%0.06732%0.322CS..EExtended strand (participates in β ladder)trans-107.7126.7175178.40000108.4V288 I289 K307 E362 Q364V288-V305 CarbonylContact C-O 3.53Å; I289-V305 HydrophobicContact CB-CB 4.31Å; I289-V305 PolarHBondContact N-O 2.96Å; I289-V305 PolarHBondContact O-N 2.83Å; V305-K307 HydrophobicContact CG1-CG 4.18Å; V305-E362 HydrophobicContact CG1-CG 3.69Å; V305-E362 WeakPolarHBondContact CG1-OE1 3.3Å; V305-Q364 HydrophobicContact CG2-CB 4.07Å
306I95.4Very high94Very high0 Ų057.9 Ų57.90%031%0.307CS..EExtended strand (participates in β ladder)trans-110.2130.4171.563.4174000109.8R287 V288 V304 V321 W352 I354 M357 E362 S363 M387R287-I306 WeakPolarHBondContact O-CA 3.24Å; V288-I306 HydrophobicContact CG1-CG2 4.31Å; V288-I306 HydrophobicContact CG2-CG2 4.15Å; V304-I306 HydrophobicContact CG1-CG2 4.38Å; I306-V321 HydrophobicContact CD1-CG2 4.38Å; I306-V321 HydrophobicContact CG2-CG2 4.15Å; I306-W352 HydrophobicContact CB-CZ3 4.47Å; I306-W352 HydrophobicContact CD1-CE3 4.4Å; I306-W352 HydrophobicContact CD1-CH2 3.66Å; I306-W352 HydrophobicContact CD1-CZ2 4.44Å; I306-W352 HydrophobicContact CD1-CZ3 3.64Å; I306-W352 HydrophobicContact CG1-CH2 3.69Å; I306-W352 HydrophobicContact CG1-CZ3 3.74Å; I306-W352 HydrophobicContact CG2-CZ3 3.97Å; I306-I354 HydrophobicContact CD1-CD1 3.51Å; I306-M357 HydrophobicContact CD1-CE 3.76Å; I306-M357 HydrophobicContact CD1-SD 4.28Å; I306-M357 HydrophobicContact CG1-CE 4.11Å; I306-E362 WeakPolarHBondContact O-CA 3.35Å; I306-S363 WeakPolarHBondContact CG1-O 3.22Å; I306-S363 PolarHBondContact N-O 3.2Å; I306-S363 PolarHBondContact O-N 3.36Å; I306-M387 HydrophobicContact CD1-CE 4.33Å
307K95.6Very high94.6Very high79 Ų7959.4 Ų59.434%0.34330%0.295SS..EExtended strand (participates in β ladder)trans-117.1126.1175.5-55.9-168.7-174.5-132.40108.9F286 R287 I289 V305 K361 E362F286-K307 CarbonylContact C-O 3.59Å; F286-K307 VanDerWaalsContact CA-O 3.23Å; F286-K307 WeakPolarHBondContact CA-O 3.46Å; R287-K307 HydrophobicContact CB-CB 4.49Å; R287-K307 PolarHBondContact N-O 2.83Å; R287-K307 PolarHBondContact O-N 3.2Å; I289-K307 HydrophobicContact CD1-CD 4.34Å; V305-K307 HydrophobicContact CG1-CG 4.18Å; K307-K361 WeakPolarHBondContact CA-O 3.41Å; K307-E362 WeakPolarHBondContact CE-OE2 2.87Å; K307-E362 HydrophobicContact CG-CB 4.47Å; K307-E362 HydrophobicContact CG-CG 4.04Å; K307-E362 IonicContact NZ-OE1 3.15Å; K307-E362 PolarHBondContact NZ-OE1 3.42Å; K307-E362 IonicContact NZ-OE2 3.91Å; K307-E362 PolarHBondContact NZ-OE2 3.3Å
308S96.6Very high95.1Very high5 Ų555.7 Ų55.74%0.03529%0.285CS..EExtended strand (participates in β ladder)trans-84.1131.917256.30000110.4P285 A358 M360 K361P285-S308 WeakPolarHBondContact O-CA 3.47Å; S308-A358 PolarHBondContact OG-O 2.9Å; S308-M360 VanDerWaalsContact O-CA 3.24Å; S308-M360 WeakPolarHBondContact O-CA 3.47Å; S308-M360 PolarHBondContact O-N 2.93Å; S308-M360 VanDerWaalsContact O-N 3.08Å; S308-M360 PolarHBondContact OG-N 2.91Å; S308-M360 VanDerWaalsContact OG-N 3.17Å; S308-K361 PolarHBondContact N-O 3.46Å; S308-K361 PolarHBondContact OG-N 3.08Å; S308-K361 PolarHBondContact OG-O 3.14Å; S308-K361 VanDerWaalsContact OG-O 3.11Å
309N94.6Very high95.5Very high89 Ų8952.1 Ų52.148%0.47626%0.263SS..  trans-124.665.4-175.3-173.248.5000111.1P285P285-N309 PolarHBondContact O-N 2.89Å
310F95.4Very high95.8Very high15 Ų1551.9 Ų51.97%0.06626%0.263CS..SBendtrans-152.9174.7175.755.2-94.7000109.4P285 F286 L314 A316 G359 M360 V391 F393P285-F310 HydrophobicContact CB-CD1 4.11Å; P285-F310 VanDerWaalsContact O-CD1 3.25Å; P285-F310 WeakPolarHBondContact O-CD1 3.37Å; F286-F310 HydrophobicContact CE1-CE1 4.2Å; F286-F310 HydrophobicContact CE2-CE1 4.32Å; F286-F310 AromaticContact CZ-CE1 3.94Å; F286-F310 HydrophobicContact CZ-CE1 3.94Å; F286-F310 HydrophobicContact CZ-CZ 4.46Å; F310-L314 HydrophobicContact CD2-CB 3.91Å; F310-L314 HydrophobicContact CE2-CB 4.08Å; F310-L314 WeakPolarHBondContact CE2-O 3.32Å; F310-A316 HydrophobicContact CE1-CB 4.17Å; F310-A316 HydrophobicContact CZ-CB 3.65Å; F310-G359 VanDerWaalsContact CD2-CA 3.47Å; F310-G359 CarbonylContact O-C 3.51Å; F310-G359 VanDerWaalsContact O-CA 3.23Å; F310-G359 WeakPolarHBondContact O-CA 3.28Å; F310-M360 WeakPolarHBondContact O-CG 3.32Å; F310-M360 PolarHBondContact O-N 3.1Å; F310-V391 HydrophobicContact CE1-CG1 4.35Å; F310-F393 HydrophobicContact CB-CE1 3.73Å; F310-F393 HydrophobicContact CB-CZ 3.87Å; F310-F393 HydrophobicContact CD1-CE1 4.25Å; F310-F393 HydrophobicContact CD2-CE1 4.44Å; F310-F393 AromaticContact CG-CE1 3.91Å; F310-F393 HydrophobicContact CG-CE1 3.91Å; F310-F393 HydrophobicContact CG-CZ 4.41Å
311K95.6Very high96Very high148 Ų14851.9 Ų51.964%0.64326%0.262SS*.  trans-52.6131.8-175.2-69.5-176.5176.9-177.70112.1S313 L314K311-S313 PolarHBondContact O-N 2.86Å; K311-S313 VanDerWaalsContact O-N 3.14Å; K311-L314 HydrophobicContact CB-CD1 4.16Å; K311-L314 HydrophobicContact CB-CG 4.11Å; K311-L314 PolarHBondContact O-N 2.82Å
312P95.9Very high96.1Very high87 Ų8753.3 Ų53.357%0.56527%0.266SS*.THydrogen-bonded Turntrans-58.3-27.8-179.1-26.633.9000115.2L314 M360P312-L314 VanDerWaalsContact C-N 3.27Å; P312-L314 PolarHBondContact O-N 2.83Å; P312-M360 HydrophobicContact CG-CB 4.13Å; P312-M360 HydrophobicContact CG-CG 3.84Å
313S95.9Very high96.2Very high104 Ų10453.1 Ų53.173%0.72726%0.264SS*.THydrogen-bonded Turntrans-71.5-19.4178560000113.8K311K311-S313 PolarHBondContact O-N 2.86Å; K311-S313 VanDerWaalsContact O-N 3.14Å
314L96.1Very high96.3Very high45 Ų4550 Ų5024%0.23625%0.252CS..  trans-87.1148.7178-57179.1000110.1F310 K311 P312 A358 G359 P392 F393F310-L314 HydrophobicContact CD2-CB 3.91Å; F310-L314 HydrophobicContact CE2-CB 4.08Å; F310-L314 WeakPolarHBondContact CE2-O 3.32Å; K311-L314 HydrophobicContact CB-CD1 4.16Å; K311-L314 HydrophobicContact CB-CG 4.11Å; K311-L314 PolarHBondContact O-N 2.82Å; P312-L314 VanDerWaalsContact C-N 3.27Å; P312-L314 PolarHBondContact O-N 2.83Å; L314-A358 WeakPolarHBondContact O-CA 3.45Å; L314-G359 PolarHBondContact O-N 3.43Å; L314-P392 HydrophobicContact CB-CG 4.2Å; L314-P392 HydrophobicContact CD2-CG 4.2Å; L314-F393 HydrophobicContact CD1-CB 4.24Å; L314-F393 HydrophobicContact CD1-CD1 3.96Å; L314-F393 HydrophobicContact CD1-CG 4.39Å
315L97.1Very high96.2Very high79 Ų7950.2 Ų50.241%0.41425%0.254SS..EExtended strand (participates in β ladder)trans-119.2117.1177.8-62.2178.8000109.3A358 P392L315-A358 HydrophobicContact CD2-CB 3.69Å; L315-P392 WeakPolarHBondContact O-CD 3.42Å
316A97.3Very high96.1Very high0 Ų049.9 Ų49.90%025%0.252CS..EExtended strand (participates in β ladder)trans-73146.3165.800000110.3F286 F310 I319 R356 M357 E390 V391F286-A316 HydrophobicContact CE2-CB 4.12Å; F286-A316 HydrophobicContact CZ-CB 3.53Å; F310-A316 HydrophobicContact CE1-CB 4.17Å; F310-A316 HydrophobicContact CZ-CB 3.65Å; A316-I319 HydrophobicContact CB-CD1 3.88Å; A316-I319 HydrophobicContact CB-CG1 4.28Å; A316-R356 CarbonylContact O-C 3.58Å; A316-R356 WeakPolarHBondContact O-CA 3.42Å; A316-M357 PolarHBondContact N-O 3.34Å; A316-M357 PolarHBondContact O-N 3.42Å; A316-E390 CarbonylContact C-O 3.53Å; A316-E390 VanDerWaalsContact CA-O 3.29Å; A316-E390 WeakPolarHBondContact CA-O 3.42Å; A316-V391 HydrophobicContact CB-CG1 3.78Å
317Q97.1Very high95.8Very high101 Ų10156.6 Ų56.647%0.47229%0.287SS..EExtended strand (participates in β ladder)trans-130.6169.4-177.9-57.2-172.611.700111I319 E390Q317-I319 PolarHBondContact O-N 3Å; Q317-I319 VanDerWaalsContact O-N 3.16Å; Q317-E390 PolarHBondContact N-O 2.83Å; Q317-E390 PolarHBondContact O-N 2.81Å
318K95.9Very high95.5Very high139 Ų13954.6 Ų54.660%0.60428%0.28SS*.EExtended strand (participates in β ladder)trans50.342.2176.8-59.4177.6-170.91570112.5E320 E390K318-E320 PolarHBondContact O-N 2.93Å; K318-E390 IonicContact NZ-OE2 3.32Å; K318-E390 PolarHBondContact NZ-OE2 3.36Å
319I97.8Very high95.4Very high2 Ų255.3 Ų55.31%0.0128%0.284CS..EExtended strand (participates in β ladder)trans-81122.5-176.5-54.1168.2000108.5F286 A316 Q317 K353 I354 M357 M387 N388 F389F286-I319 HydrophobicContact CE1-CD1 4.32Å; F286-I319 HydrophobicContact CZ-CD1 3.9Å; F286-I319 HydrophobicContact CZ-CG1 4.3Å; A316-I319 HydrophobicContact CB-CD1 3.88Å; A316-I319 HydrophobicContact CB-CG1 4.28Å; Q317-I319 PolarHBondContact O-N 3Å; Q317-I319 VanDerWaalsContact O-N 3.16Å; I319-K353 CarbonylContact O-C 3.58Å; I319-K353 WeakPolarHBondContact O-CA 3.23Å; I319-I354 HydrophobicContact CB-CB 4.12Å; I319-I354 WeakPolarHBondContact CB-O 3.43Å; I319-I354 HydrophobicContact CG2-CB 4.44Å; I319-I354 PolarHBondContact N-O 2.78Å; I319-I354 PolarHBondContact O-N 3.22Å; I319-M357 HydrophobicContact CD1-CB 3.38Å; I319-M387 HydrophobicContact CG2-CE 3.4Å; I319-M387 VanDerWaalsContact CG2-CE 3.4Å; I319-N388 CarbonylContact C-O 3.51Å; I319-N388 VanDerWaalsContact CA-O 3.26Å; I319-N388 WeakPolarHBondContact CA-O 3.39Å; I319-F389 HydrophobicContact CG1-CB 4.28Å
320E97.6Very high95.2Very high52 Ų5254.1 Ų54.124%0.24328%0.283CS..EExtended strand (participates in β ladder)trans-137.8112.3179.2178.3164.6174.400109.4K318 V351 W352 K353 M387 N388K318-E320 PolarHBondContact O-N 2.93Å; E320-V351 HydrophobicContact CG-CG1 3.8Å; E320-V351 WeakPolarHBondContact OE1-CG1 3.05Å; E320-W352 CarbonylContact C-O 3.59Å; E320-W352 WeakPolarHBondContact CA-O 3.22Å; E320-K353 HydrophobicContact CB-CG 4.47Å; E320-K353 VanDerWaalsContact CD-CE 3.49Å; E320-K353 HydrophobicContact CG-CG 4.17Å; E320-K353 WeakPolarHBondContact OE1-CE 3.34Å; E320-K353 IonicContact OE1-NZ 2.71Å; E320-K353 PolarHBondContact OE1-NZ 3.29Å; E320-K353 VanDerWaalsContact OE2-CE 3.31Å; E320-K353 WeakPolarHBondContact OE2-CE 3.2Å; E320-K353 IonicContact OE2-NZ 2.7Å; E320-K353 PolarHBondContact OE2-NZ 3.15Å; E320-M387 CarbonylContact O-C 3.55Å; E320-M387 WeakPolarHBondContact O-CA 3.5Å; E320-N388 HydrophobicContact CB-CB 4.32Å; E320-N388 PolarHBondContact N-O 2.9Å; E320-N388 PolarHBondContact O-N 2.92Å
321V97.6Very high95.1Very high0 Ų054.3 Ų54.30%029%0.289CS..EExtended strand (participates in β ladder)trans-99126.4175.1-173.20000108I306 I323 W352 I385 S386 M387I306-V321 HydrophobicContact CD1-CG2 4.38Å; I306-V321 HydrophobicContact CG2-CG2 4.15Å; V321-I323 HydrophobicContact CG1-CG1 4.05Å; V321-W352 HydrophobicContact CB-CB 4.31Å; V321-W352 HydrophobicContact CB-CE3 4Å; V321-W352 HydrophobicContact CG1-CE3 4.5Å; V321-W352 HydrophobicContact CG2-CE3 3.85Å; V321-W352 HydrophobicContact CG2-CZ3 4.38Å; V321-W352 PolarHBondContact N-O 2.67Å; V321-W352 PolarHBondContact O-N 2.93Å; V321-I385 HydrophobicContact CG1-CG2 3.67Å; V321-S386 WeakPolarHBondContact CA-O 3.33Å; V321-M387 HydrophobicContact CG2-CE 4.38Å; V321-M387 HydrophobicContact CG2-CG 4.04Å; V321-M387 HydrophobicContact CG2-SD 4.42Å
322R97.4Very high95.1Very high75 Ų7548.9 Ų48.928%0.28327%0.268SS..EExtended strand (participates in β ladder)trans-107117176.6178.8-174.1179.775.35.1108.8E347 A349 I385 S386R322-E347 IonicContact CZ-OE2 3.68Å; R322-E347 IonicContact NH1-OE2 3.47Å; R322-E347 PolarHBondContact NH1-OE2 3.05Å; R322-E347 PolarHBondContact NH2-O 3.14Å; R322-A349 HydrophobicContact CG-CB 3.99Å; R322-I385 WeakPolarHBondContact O-CA 3.48Å; R322-I385 WeakPolarHBondContact O-CG2 3.5Å; R322-S386 WeakPolarHBondContact CB-OG 3.28Å; R322-S386 PolarHBondContact N-O 3.23Å; R322-S386 PolarHBondContact O-N 2.78Å; R322-S386 VanDerWaalsContact O-N 3.09Å
323I96.8Very high95.1Very high4 Ų450.3 Ų50.32%0.02127%0.267CS..EExtended strand (participates in β ladder)trans-111.5106.3-178.4-53.6166.7000107.2V302 V304 V321 A349 I350 I365 I385V302-I323 HydrophobicContact CG1-CG2 3.86Å; V304-I323 HydrophobicContact CB-CD1 4.15Å; V304-I323 HydrophobicContact CG2-CD1 3.68Å; V304-I323 HydrophobicContact CG2-CG1 4.08Å; V304-I323 HydrophobicContact CG2-CG2 4.39Å; V321-I323 HydrophobicContact CG1-CG1 4.05Å; I323-A349 CarbonylContact O-C 3.57Å; I323-A349 VanDerWaalsContact O-CA 3.27Å; I323-A349 WeakPolarHBondContact O-CA 3.32Å; I323-I350 HydrophobicContact CB-CB 4.24Å; I323-I350 PolarHBondContact N-O 2.76Å; I323-I350 PolarHBondContact O-N 2.92Å; I323-I365 HydrophobicContact CD1-CD1 4.32Å; I323-I365 HydrophobicContact CD1-CG2 3.8Å; I323-I385 HydrophobicContact CG1-CD1 4.36Å; I323-I385 HydrophobicContact CG1-CG2 4.21Å; I323-I385 HydrophobicContact CG2-CD1 4.12Å; I323-I385 HydrophobicContact CG2-CG1 4.48Å
324P95.9Very high95.1Very high15 Ų1547.7 Ų47.710%0.09725%0.247CC..EExtended strand (participates in β ladder)trans-61.4145.1178.8-25.437.2000112.1W380 P383 P384P324-W380 HydrophobicContact CB-CZ2 4.38Å; P324-P383 HydrophobicContact CB-CB 3.99Å; P324-P383 HydrophobicContact CB-CG 3.89Å; P324-P383 HydrophobicContact CG-CB 3.88Å; P324-P383 HydrophobicContact CG-CG 4.36Å; P324-P383 WeakPolarHBondContact CG-O 3.46Å; P324-P384 WeakPolarHBondContact CG-O 3.3Å
325T94.2Very high95Very high5 Ų551.1 Ų51.13%0.03126%0.264CS..  trans-117.8156.4172.666.10000109.8Y343 N348 I350 I369 W380T325-Y343 HydrophobicContact CG2-CD2 4.4Å; T325-Y343 HydrophobicContact CG2-CE2 4.21Å; T325-Y343 WeakPolarHBondContact OG1-CE2 3.4Å; T325-N348 PolarHBondContact N-O 3.19Å; T325-N348 PolarHBondContact OG1-O 2.78Å; T325-I350 HydrophobicContact CG2-CD1 4.16Å; T325-I350 HydrophobicContact CG2-CG1 3.86Å; T325-I369 HydrophobicContact CG2-CD1 3.72Å; T325-I369 HydrophobicContact CG2-CG1 4.4Å; T325-W380 VanDerWaalsContact C-CZ2 3.41Å
326P92.3Very high94.7Very high3 Ų349.1 Ų49.12%0.01926%0.257CS..  trans-58.3156.7172.7-26.537.1000113.2L300 N328 T329 L371 W380L300-P326 HydrophobicContact CD2-CG 3.94Å; P326-N328 VanDerWaalsContact C-N 3.27Å; P326-N328 WeakPolarHBondContact CB-OD1 3.46Å; P326-N328 PolarHBondContact O-N 2.92Å; P326-T329 WeakPolarHBondContact O-CB 3.38Å; P326-T329 PolarHBondContact O-N 2.79Å; P326-T329 PolarHBondContact O-OG1 2.84Å; P326-L371 HydrophobicContact CB-CD2 3.8Å; P326-L371 HydrophobicContact CG-CD2 3.67Å; P326-W380 HydrophobicContact CB-CD2 4.21Å; P326-W380 HydrophobicContact CB-CG 4.44Å; P326-W380 HydrophobicContact CG-CD2 3.74Å; P326-W380 HydrophobicContact CG-CE3 3.68Å; P326-W380 HydrophobicContact CG-CG 4.37Å; P326-W380 HydrophobicContact CG-CH2 4.06Å; P326-W380 HydrophobicContact CG-CZ2 4.09Å; P326-W380 HydrophobicContact CG-CZ3 3.85Å
327L89Confident93.9Very high142 Ų14256.6 Ų56.674%0.74329%0.293SS*.THydrogen-bonded Turntrans-70.2-25.3178.2-64.7177.6000112.8T329 N348L327-T329 VanDerWaalsContact C-N 3.26Å; L327-T329 PolarHBondContact O-N 2.74Å; L327-N348 HydrophobicContact CD2-CB 4.25Å; L327-N348 WeakPolarHBondContact CD2-ND2 3.45Å
328N90.3Very high93.6Very high37 Ų3755.4 Ų55.420%0.19829%0.287CS..THydrogen-bonded Turntrans-90.122.3178.765-32.3000112.8P326 S330 L372 T374P326-N328 VanDerWaalsContact C-N 3.27Å; P326-N328 WeakPolarHBondContact CB-OD1 3.46Å; P326-N328 PolarHBondContact O-N 2.92Å; N328-S330 PolarHBondContact O-N 3.44Å; N328-L372 HydrophobicContact CB-CB 4.43Å; N328-L372 PolarHBondContact ND2-O 2.83Å; N328-L372 PolarHBondContact O-N 3.33Å; N328-T374 HydrophobicContact CB-CG2 4.01Å
329T92.8Very high93.5Very high19 Ų1951.1 Ų51.112%0.11728%0.282CS..EExtended strand (participates in β ladder)trans-67.7119.2177.2-70.10000111.3P326 L327 V332 Y343 I369 E370P326-T329 WeakPolarHBondContact O-CB 3.38Å; P326-T329 PolarHBondContact O-N 2.79Å; P326-T329 PolarHBondContact O-OG1 2.84Å; L327-T329 VanDerWaalsContact C-N 3.26Å; L327-T329 PolarHBondContact O-N 2.74Å; T329-V332 HydrophobicContact CG2-CG2 3.43Å; T329-V332 VanDerWaalsContact CG2-CG2 3.43Å; T329-Y343 HydrophobicContact CG2-CE1 4.29Å; T329-Y343 HydrophobicContact CG2-CE2 4.31Å; T329-I369 HydrophobicContact CG2-CG2 3.72Å; T329-I369 WeakPolarHBondContact OG1-CG2 3.42Å; T329-E370 WeakPolarHBondContact CA-O 3.48Å
330S91.9Very high93.4Very high65 Ų6558.7 Ų58.746%0.45532%0.315SS..EExtended strand (participates in β ladder)trans-90.6-38.417450.30000112.8N328 E370N328-S330 PolarHBondContact O-N 3.44Å; S330-E370 PolarHBondContact N-O 2.8Å; S330-E370 VanDerWaalsContact OG-CB 3.28Å; S330-E370 WeakPolarHBondContact OG-CB 3.28Å; S330-E370 PolarHBondContact OG-O 3.04Å
331G92.6Very high93.3Very high18 Ų1857.4 Ų57.419%0.18631%0.313CS..EExtended strand (participates in β ladder)trans-149.4149.5-172.100000111.5I369 E370G331-I369 WeakPolarHBondContact O-CA 3.45Å; G331-E370 PolarHBondContact O-N 2.81Å
332V96.2Very high93.2Very high35 Ų3564.2 Ų64.221%0.21234%0.343CS..EExtended strand (participates in β ladder)trans-139.5118.2178.6-178.90000109.7T329 V334 Y343 I350 E368 I369T329-V332 HydrophobicContact CG2-CG2 3.43Å; T329-V332 VanDerWaalsContact CG2-CG2 3.43Å; V332-V334 HydrophobicContact CG1-CG2 3.79Å; V332-Y343 HydrophobicContact CB-CD1 4.22Å; V332-Y343 HydrophobicContact CB-CD2 4.43Å; V332-Y343 HydrophobicContact CB-CG 3.96Å; V332-Y343 HydrophobicContact CG1-CG 4.43Å; V332-Y343 HydrophobicContact CG2-CD1 3.85Å; V332-Y343 HydrophobicContact CG2-CD2 3.76Å; V332-Y343 HydrophobicContact CG2-CE1 4.1Å; V332-Y343 HydrophobicContact CG2-CE2 4.04Å; V332-Y343 HydrophobicContact CG2-CG 3.67Å; V332-I350 HydrophobicContact CG1-CD1 3.65Å; V332-I350 HydrophobicContact CG1-CG1 3.91Å; V332-E368 CarbonylContact C-O 3.58Å; V332-E368 WeakPolarHBondContact CA-O 3.11Å; V332-I369 HydrophobicContact CG1-CG1 4.35Å; V332-I369 HydrophobicContact CG2-CG1 4.31Å; V332-I369 HydrophobicContact CG2-CG2 4.37Å
333Q95.6Very high93.2Very high116 Ų11663.5 Ų63.554%0.54234%0.34SS..EExtended strand (participates in β ladder)trans-104.2131.9170.1-60-171.9-4.900109.2A367 E368Q333-A367 CarbonylContact O-C 3.53Å; Q333-A367 WeakPolarHBondContact O-CA 3.36Å; Q333-E368 HydrophobicContact CB-CB 4.37Å; Q333-E368 PolarHBondContact N-O 2.88Å; Q333-E368 PolarHBondContact O-N 2.8Å
334V95.4Very high93.1Very high49 Ų4966.3 Ų66.330%0.29735%0.352SS..EExtended strand (participates in β ladder)trans-128.5132-176.1171.30000110.8V332 C336 A341 I350 I365 A367V332-V334 HydrophobicContact CG1-CG2 3.79Å; V334-C336 HydrophobicContact CG1-CB 4.28Å; V334-A341 HydrophobicContact CG1-CB 3.54Å; V334-I350 HydrophobicContact CG2-CD1 4.06Å; V334-I350 HydrophobicContact CG2-CG2 4.11Å; V334-I365 HydrophobicContact CG1-CD1 3.63Å; V334-I365 HydrophobicContact CG1-CG1 3.78Å; V334-A367 HydrophobicContact CG2-CB 3.98Å
335I94.1Very high92.9Very high117 Ų11768.6 Ų68.660%0.637%0.372SS*.EExtended strand (participates in β ladder)trans-113.7118.4172.2-57.3172.6000107.7I365 S366I335-I365 WeakPolarHBondContact O-CA 3.42Å; I335-S366 PolarHBondContact N-O 3.38Å; I335-S366 PolarHBondContact O-N 2.65Å
336C91.4Very high92.8Very high38 Ų3873.7 Ų73.726%0.25741%0.408SS..EExtended strand (participates in β ladder)trans-136.3121.7-176.4166.60000110V334 K338 A341 W352 I365V334-C336 HydrophobicContact CG1-CB 4.28Å; C336-K338 VanDerWaalsContact SG-C 3.57Å; C336-K338 PolarHBondContact SG-O 3.31Å; C336-A341 HydrophobicContact CB-CB 4.17Å; C336-W352 PolarHBondContact SG-NE1 2.99Å; C336-I365 HydrophobicContact CB-CG1 4.31Å
337M80.5Confident92.8Very high156 Ų15676.8 Ų76.877%0.76842%0.423SS*.SBendtrans-81.1-26.2-179.3-64.6-62.9-72.500113.2
338K89.9Confident93Very high77 Ų7772.4 Ų72.434%0.33540%0.4SS..SBendtrans-143129.5-175.4-174.7-179.1179.2178.90111.5C336 W352 I354 R356 M357 S363C336-K338 VanDerWaalsContact SG-C 3.57Å; C336-K338 PolarHBondContact SG-O 3.31Å; K338-W352 PolarHBondContact O-NE1 3.47Å; K338-I354 HydrophobicContact CD-CG2 4.29Å; K338-I354 HydrophobicContact CG-CG2 4.27Å; K338-R356 WeakPolarHBondContact CE-O 3.28Å; K338-R356 PolarHBondContact NZ-O 2.92Å; K338-M357 HydrophobicContact CD-CE 4.42Å; K338-S363 WeakPolarHBondContact CB-OG 3.46Å
339G93.3Very high93.3Very high49 Ų4970.6 Ų70.651%0.50539%0.39SS..SBendtrans86.5-166.3-176.400000111.8K353G339-K353 CarbonylContact C-O 3.45Å; G339-K353 VanDerWaalsContact CA-O 3.23Å; G339-K353 WeakPolarHBondContact CA-O 3.45Å
340K95.9Very high93.5Very high161 Ų16169.7 Ų69.770%0.739%0.385SS*.EExtended strand (participates in β ladder)trans-124.5125.5-177.9-174.7174.4-177172.60109K353K340-K353 PolarHBondContact N-O 2.68Å; K340-K353 PolarHBondContact O-N 2.82Å
341A96.5Very high93.8Very high25 Ų2566.9 Ų66.921%0.20737%0.365CS..EExtended strand (participates in β ladder)trans-112.2138175.300000110V334 C336 I350 V351 W352 I365V334-A341 HydrophobicContact CG1-CB 3.54Å; C336-A341 HydrophobicContact CB-CB 4.17Å; A341-I350 HydrophobicContact CB-CG2 4.45Å; A341-V351 WeakPolarHBondContact CA-O 3.42Å; A341-W352 HydrophobicContact CB-CB 4.23Å; A341-W352 HydrophobicContact CB-CG 4.35Å; A341-I365 HydrophobicContact CB-CD1 3.48Å; A341-I365 VanDerWaalsContact CB-CD1 3.48Å
342K95.6Very high94Very high143 Ų14366 Ų6662%0.62236%0.356SS*.EExtended strand (participates in β ladder)trans-142.4134.3179-178.1173.9179.3-179.30109.8V351K342-V351 PolarHBondContact N-O 2.84Å; K342-V351 PolarHBondContact O-N 2.95Å
343Y96.3Very high94.1Very high59 Ų5969 Ų6923%0.23137%0.366CS..EExtended strand (participates in β ladder)trans-73.6132.3167.6176-125.8000110.6T325 T329 V332 A345 I350T325-Y343 HydrophobicContact CG2-CD2 4.4Å; T325-Y343 HydrophobicContact CG2-CE2 4.21Å; T325-Y343 WeakPolarHBondContact OG1-CE2 3.4Å; T329-Y343 HydrophobicContact CG2-CE1 4.29Å; T329-Y343 HydrophobicContact CG2-CE2 4.31Å; V332-Y343 HydrophobicContact CB-CD1 4.22Å; V332-Y343 HydrophobicContact CB-CD2 4.43Å; V332-Y343 HydrophobicContact CB-CG 3.96Å; V332-Y343 HydrophobicContact CG1-CG 4.43Å; V332-Y343 HydrophobicContact CG2-CD1 3.85Å; V332-Y343 HydrophobicContact CG2-CD2 3.76Å; V332-Y343 HydrophobicContact CG2-CE1 4.1Å; V332-Y343 HydrophobicContact CG2-CE2 4.04Å; V332-Y343 HydrophobicContact CG2-CG 3.67Å; Y343-A345 HydrophobicContact CE1-CB 3.94Å; Y343-I350 HydrophobicContact CD2-CG1 4.36Å
344K95.4Very high94.2Very high63 Ų6363.7 Ų63.727%0.27434%0.341SS..EExtended strand (participates in β ladder)trans-118.2101.4174.8-69.1-170.5179.51790109.7S346 E347 N348 A349 V351K344-S346 PolarHBondContact O-N 3.09Å; K344-E347 HydrophobicContact CB-CB 4.08Å; K344-E347 VanDerWaalsContact CD-CD 3.43Å; K344-E347 HydrophobicContact CD-CG 4.37Å; K344-E347 WeakPolarHBondContact CD-OE1 3.39Å; K344-E347 WeakPolarHBondContact CD-OE2 3.49Å; K344-E347 IonicContact NZ-OE1 3.47Å; K344-E347 PolarHBondContact NZ-OE1 3.34Å; K344-E347 IonicContact NZ-OE2 2.96Å; K344-E347 PolarHBondContact NZ-OE2 2.99Å; K344-E347 CarbonylContact O-C 3.52Å; K344-E347 PolarHBondContact O-N 2.85Å; K344-E347 VanDerWaalsContact O-N 3.14Å; K344-N348 PolarHBondContact O-N 3.24Å; K344-N348 VanDerWaalsContact O-N 3.08Å; K344-A349 PolarHBondContact N-O 3.31Å; K344-A349 PolarHBondContact O-N 3.38Å; K344-V351 HydrophobicContact CD-CG2 3.72Å; K344-V351 HydrophobicContact CG-CG2 4.13Å
345A91.6Very high94.2Very high63 Ų6369.8 Ų69.852%0.52136%0.364SS..G310 helixtrans-60.3-41.7-178.100000113.4Y343 E347 N348Y343-A345 HydrophobicContact CE1-CB 3.94Å; A345-E347 PolarHBondContact O-N 3.09Å; A345-N348 PolarHBondContact O-N 3.25Å; A345-N348 VanDerWaalsContact O-N 3.1Å
346S92.5Very high94.3Very high113 Ų11371.7 Ų71.779%0.7936%0.364SS*.G310 helixtrans-60.8-21.3178.1600000113.9K344K344-S346 PolarHBondContact O-N 3.09Å
347E92.3Very high94.5Very high68 Ų6870 Ų7032%0.31835%0.352SS..G310 helixtrans-109.4-4.1-177.4-72.9178.4-143.500112.3R322 K344 A345 A349R322-E347 IonicContact CZ-OE2 3.68Å; R322-E347 IonicContact NH1-OE2 3.47Å; R322-E347 PolarHBondContact NH1-OE2 3.05Å; R322-E347 PolarHBondContact NH2-O 3.14Å; K344-E347 HydrophobicContact CB-CB 4.08Å; K344-E347 VanDerWaalsContact CD-CD 3.43Å; K344-E347 HydrophobicContact CD-CG 4.37Å; K344-E347 WeakPolarHBondContact CD-OE1 3.39Å; K344-E347 WeakPolarHBondContact CD-OE2 3.49Å; K344-E347 IonicContact NZ-OE1 3.47Å; K344-E347 PolarHBondContact NZ-OE1 3.34Å; K344-E347 IonicContact NZ-OE2 2.96Å; K344-E347 PolarHBondContact NZ-OE2 2.99Å; K344-E347 CarbonylContact O-C 3.52Å; K344-E347 PolarHBondContact O-N 2.85Å; K344-E347 VanDerWaalsContact O-N 3.14Å; A345-E347 PolarHBondContact O-N 3.09Å; E347-A349 VanDerWaalsContact C-N 3.25Å; E347-A349 HydrophobicContact CB-CB 4.49Å; E347-A349 PolarHBondContact O-N 2.66Å
348N93.5Very high95.3Very high49 Ų4963.6 Ų63.626%0.26232%0.324SS..THydrogen-bonded Turntrans43.651.8-171.2-59-76.9000111.9T325 L327 K344 A345T325-N348 PolarHBondContact N-O 3.19Å; T325-N348 PolarHBondContact OG1-O 2.78Å; L327-N348 HydrophobicContact CD2-CB 4.25Å; L327-N348 WeakPolarHBondContact CD2-ND2 3.45Å; K344-N348 PolarHBondContact O-N 3.24Å; K344-N348 VanDerWaalsContact O-N 3.08Å; A345-N348 PolarHBondContact O-N 3.25Å; A345-N348 VanDerWaalsContact O-N 3.1Å
349A96.2Very high95.6Very high0 Ų059.9 Ų59.90%031%0.308CS..EExtended strand (participates in β ladder)trans-153.1148-175.800000113R322 I323 K344 E347R322-A349 HydrophobicContact CG-CB 3.99Å; I323-A349 CarbonylContact O-C 3.57Å; I323-A349 VanDerWaalsContact O-CA 3.27Å; I323-A349 WeakPolarHBondContact O-CA 3.32Å; K344-A349 PolarHBondContact N-O 3.31Å; K344-A349 PolarHBondContact O-N 3.38Å; E347-A349 VanDerWaalsContact C-N 3.25Å; E347-A349 HydrophobicContact CB-CB 4.49Å; E347-A349 PolarHBondContact O-N 2.66Å
350I97.3Very high95.8Very high0 Ų063.2 Ų63.20%031%0.311CS..EExtended strand (participates in β ladder)trans-87.4124.5163.6-57.6166.9000107.5I323 T325 V332 V334 A341 Y343 I365 A367 I369I323-I350 HydrophobicContact CB-CB 4.24Å; I323-I350 PolarHBondContact N-O 2.76Å; I323-I350 PolarHBondContact O-N 2.92Å; T325-I350 HydrophobicContact CG2-CD1 4.16Å; T325-I350 HydrophobicContact CG2-CG1 3.86Å; V332-I350 HydrophobicContact CG1-CD1 3.65Å; V332-I350 HydrophobicContact CG1-CG1 3.91Å; V334-I350 HydrophobicContact CG2-CD1 4.06Å; V334-I350 HydrophobicContact CG2-CG2 4.11Å; A341-I350 HydrophobicContact CB-CG2 4.45Å; Y343-I350 HydrophobicContact CD2-CG1 4.36Å; I350-I365 HydrophobicContact CG2-CD1 4.12Å; I350-A367 HydrophobicContact CD1-CB 3.46Å; I350-A367 VanDerWaalsContact CD1-CB 3.46Å; I350-I369 HydrophobicContact CD1-CD1 4.27Å; I350-I369 HydrophobicContact CD1-CG1 4.37Å
351V97.5Very high95.8Very high5 Ų561.2 Ų61.23%0.0330%0.303CS..EExtended strand (participates in β ladder)trans-107112.5177.5-179.10000108.8E320 A341 K342 K344 K353E320-V351 HydrophobicContact CG-CG1 3.8Å; E320-V351 WeakPolarHBondContact OE1-CG1 3.05Å; A341-V351 WeakPolarHBondContact CA-O 3.42Å; K342-V351 PolarHBondContact N-O 2.84Å; K342-V351 PolarHBondContact O-N 2.95Å; K344-V351 HydrophobicContact CD-CG2 3.72Å; K344-V351 HydrophobicContact CG-CG2 4.13Å; V351-K353 HydrophobicContact CG1-CD 4.45Å; V351-K353 HydrophobicContact CG1-CG 4.02Å
352W97.9Very high95.7Very high0 Ų065 Ų650%032%0.316CS..EExtended strand (participates in β ladder)trans-106.2111.5-179.9178.234.2000110.9I306 E320 V321 C336 K338 A341 I354 S363 I365I306-W352 HydrophobicContact CB-CZ3 4.47Å; I306-W352 HydrophobicContact CD1-CE3 4.4Å; I306-W352 HydrophobicContact CD1-CH2 3.66Å; I306-W352 HydrophobicContact CD1-CZ2 4.44Å; I306-W352 HydrophobicContact CD1-CZ3 3.64Å; I306-W352 HydrophobicContact CG1-CH2 3.69Å; I306-W352 HydrophobicContact CG1-CZ3 3.74Å; I306-W352 HydrophobicContact CG2-CZ3 3.97Å; E320-W352 CarbonylContact C-O 3.59Å; E320-W352 WeakPolarHBondContact CA-O 3.22Å; V321-W352 HydrophobicContact CB-CB 4.31Å; V321-W352 HydrophobicContact CB-CE3 4Å; V321-W352 HydrophobicContact CG1-CE3 4.5Å; V321-W352 HydrophobicContact CG2-CE3 3.85Å; V321-W352 HydrophobicContact CG2-CZ3 4.38Å; V321-W352 PolarHBondContact N-O 2.67Å; V321-W352 PolarHBondContact O-N 2.93Å; C336-W352 PolarHBondContact SG-NE1 2.99Å; K338-W352 PolarHBondContact O-NE1 3.47Å; A341-W352 HydrophobicContact CB-CB 4.23Å; A341-W352 HydrophobicContact CB-CG 4.35Å; W352-I354 HydrophobicContact CD2-CD1 4.32Å; W352-I354 HydrophobicContact CD2-CG1 4.45Å; W352-I354 HydrophobicContact CH2-CD1 3.95Å; W352-I354 HydrophobicContact CZ2-CD1 3.47Å; W352-I354 VanDerWaalsContact CZ2-CD1 3.47Å; W352-I354 HydrophobicContact CZ2-CG1 4.13Å; W352-S363 WeakPolarHBondContact CZ2-OG 3.32Å; W352-I365 HydrophobicContact CB-CD1 3.96Å; W352-I365 HydrophobicContact CD2-CB 4.13Å; W352-I365 HydrophobicContact CD2-CD1 4.3Å; W352-I365 HydrophobicContact CD2-CG2 4.03Å; W352-I365 HydrophobicContact CE3-CB 4.09Å; W352-I365 HydrophobicContact CE3-CG2 3.53Å; W352-I365 HydrophobicContact CG-CD1 3.97Å; W352-I365 HydrophobicContact CH2-CB 4.39Å; W352-I365 HydrophobicContact CH2-CG2 4.31Å; W352-I365 HydrophobicContact CZ2-CB 4.43Å; W352-I365 HydrophobicContact CZ3-CB 4.22Å; W352-I365 HydrophobicContact CZ3-CG2 3.69Å
353K97.8Very high95.8Very high97 Ų9758.6 Ų58.642%0.42229%0.289SS..EExtended strand (participates in β ladder)trans-107.4127-176.5-59-167.9-176.8-132.20111.4I319 E320 G339 K340 V351I319-K353 CarbonylContact O-C 3.58Å; I319-K353 WeakPolarHBondContact O-CA 3.23Å; E320-K353 HydrophobicContact CB-CG 4.47Å; E320-K353 VanDerWaalsContact CD-CE 3.49Å; E320-K353 HydrophobicContact CG-CG 4.17Å; E320-K353 WeakPolarHBondContact OE1-CE 3.34Å; E320-K353 IonicContact OE1-NZ 2.71Å; E320-K353 PolarHBondContact OE1-NZ 3.29Å; E320-K353 VanDerWaalsContact OE2-CE 3.31Å; E320-K353 WeakPolarHBondContact OE2-CE 3.2Å; E320-K353 IonicContact OE2-NZ 2.7Å; E320-K353 PolarHBondContact OE2-NZ 3.15Å; G339-K353 CarbonylContact C-O 3.45Å; G339-K353 VanDerWaalsContact CA-O 3.23Å; G339-K353 WeakPolarHBondContact CA-O 3.45Å; K340-K353 PolarHBondContact N-O 2.68Å; K340-K353 PolarHBondContact O-N 2.82Å; V351-K353 HydrophobicContact CG1-CD 4.45Å; V351-K353 HydrophobicContact CG1-CG 4.02Å
354I97.3Very high95.7Very high5 Ų559.2 Ų59.23%0.02629%0.294CS..EExtended strand (participates in β ladder)trans-120.3118.4174.5-52.5175000108.2I306 I319 K338 W352 R356 M357I306-I354 HydrophobicContact CD1-CD1 3.51Å; I319-I354 HydrophobicContact CB-CB 4.12Å; I319-I354 WeakPolarHBondContact CB-O 3.43Å; I319-I354 HydrophobicContact CG2-CB 4.44Å; I319-I354 PolarHBondContact N-O 2.78Å; I319-I354 PolarHBondContact O-N 3.22Å; K338-I354 HydrophobicContact CD-CG2 4.29Å; K338-I354 HydrophobicContact CG-CG2 4.27Å; W352-I354 HydrophobicContact CD2-CD1 4.32Å; W352-I354 HydrophobicContact CD2-CG1 4.45Å; W352-I354 HydrophobicContact CH2-CD1 3.95Å; W352-I354 HydrophobicContact CZ2-CD1 3.47Å; W352-I354 VanDerWaalsContact CZ2-CD1 3.47Å; W352-I354 HydrophobicContact CZ2-CG1 4.13Å; I354-R356 VanDerWaalsContact C-N 3.32Å; I354-R356 WeakPolarHBondContact CG2-O 3.23Å; I354-R356 PolarHBondContact O-N 3.43Å; I354-M357 HydrophobicContact CD1-CE 3.77Å
355K95.4Very high95.8Very high178 Ų17856.3 Ų56.377%0.77428%0.282SS*.EExtended strand (participates in β ladder)trans-58.2-44.7-177.3-176.4174-178.5176.40112.2
356R95.9Very high96.1Very high157 Ų15755.2 Ų55.259%0.59227%0.27SS*.EExtended strand (participates in β ladder)trans-153.6146.8179.256.5-177.6164.2-167.7-2.9113.3A316 K338 I354A316-R356 CarbonylContact O-C 3.58Å; A316-R356 WeakPolarHBondContact O-CA 3.42Å; K338-R356 WeakPolarHBondContact CE-O 3.28Å; K338-R356 PolarHBondContact NZ-O 2.92Å; I354-R356 VanDerWaalsContact C-N 3.32Å; I354-R356 WeakPolarHBondContact CG2-O 3.23Å; I354-R356 PolarHBondContact O-N 3.43Å
357M96.4Very high96.3Very high1 Ų150.1 Ų50.11%0.00524%0.235CC..EExtended strand (participates in β ladder)trans-141.6128.1174.6-176.8174.1-81.700110.4F286 I306 A316 I319 K338 I354 K361F286-M357 HydrophobicContact CE1-SD 3.91Å; I306-M357 HydrophobicContact CD1-CE 3.76Å; I306-M357 HydrophobicContact CD1-SD 4.28Å; I306-M357 HydrophobicContact CG1-CE 4.11Å; A316-M357 PolarHBondContact N-O 3.34Å; A316-M357 PolarHBondContact O-N 3.42Å; I319-M357 HydrophobicContact CD1-CB 3.38Å; K338-M357 HydrophobicContact CD-CE 4.42Å; I354-M357 HydrophobicContact CD1-CE 3.77Å; M357-K361 HydrophobicContact CG-CB 4.27Å
358A97.3Very high96.5Very high22 Ų2250.3 Ų50.318%0.18224%0.236CC..EExtended strand (participates in β ladder)trans-71.7160.3172.300000111.4S308 L314 L315 K361S308-A358 PolarHBondContact OG-O 2.9Å; L314-A358 WeakPolarHBondContact O-CA 3.45Å; L315-A358 HydrophobicContact CD2-CB 3.69Å; A358-K361 HydrophobicContact CB-CG 4.07Å
359G96.2Very high96.6Very high0 Ų048 Ų480%022%0.223CC..THydrogen-bonded Turntrans-65.1155.917300000112.7F310 L314 K361F310-G359 VanDerWaalsContact CD2-CA 3.47Å; F310-G359 CarbonylContact O-C 3.51Å; F310-G359 VanDerWaalsContact O-CA 3.23Å; F310-G359 WeakPolarHBondContact O-CA 3.28Å; L314-G359 PolarHBondContact O-N 3.43Å; G359-K361 VanDerWaalsContact C-N 3.26Å; G359-K361 PolarHBondContact O-N 3.07Å
360M96.8Very high96.5Very high118 Ų11852.5 Ų52.558%0.58125%0.245SC*.THydrogen-bonded Turntrans55.238.6-178.9-52.6-58.8-74.900113.4S308 F310 P312S308-M360 VanDerWaalsContact O-CA 3.24Å; S308-M360 WeakPolarHBondContact O-CA 3.47Å; S308-M360 PolarHBondContact O-N 2.93Å; S308-M360 VanDerWaalsContact O-N 3.08Å; S308-M360 PolarHBondContact OG-N 2.91Å; S308-M360 VanDerWaalsContact OG-N 3.17Å; F310-M360 WeakPolarHBondContact O-CG 3.32Å; F310-M360 PolarHBondContact O-N 3.1Å; P312-M360 HydrophobicContact CG-CB 4.13Å; P312-M360 HydrophobicContact CG-CG 3.84Å
361K96.1Very high96.2Very high120 Ų12053.8 Ų53.852%0.52225%0.251SS..  trans-120.3156.2175.5-65.1-59.6179.6-172.90110.4K307 S308 M357 A358 G359K307-K361 WeakPolarHBondContact CA-O 3.41Å; S308-K361 PolarHBondContact N-O 3.46Å; S308-K361 PolarHBondContact OG-N 3.08Å; S308-K361 PolarHBondContact OG-O 3.14Å; S308-K361 VanDerWaalsContact OG-O 3.11Å; M357-K361 HydrophobicContact CG-CB 4.27Å; A358-K361 HydrophobicContact CB-CG 4.07Å; G359-K361 VanDerWaalsContact C-N 3.26Å; G359-K361 PolarHBondContact O-N 3.07Å
362E95.5Very high95.7Very high103 Ų10358.4 Ų58.448%0.48128%0.275SS..EExtended strand (participates in β ladder)trans-120.2146177.3-174.8164.4163.300109.7V305 I306 K307V305-E362 HydrophobicContact CG1-CG 3.69Å; V305-E362 WeakPolarHBondContact CG1-OE1 3.3Å; I306-E362 WeakPolarHBondContact O-CA 3.35Å; K307-E362 WeakPolarHBondContact CE-OE2 2.87Å; K307-E362 HydrophobicContact CG-CB 4.47Å; K307-E362 HydrophobicContact CG-CG 4.04Å; K307-E362 IonicContact NZ-OE1 3.15Å; K307-E362 PolarHBondContact NZ-OE1 3.42Å; K307-E362 IonicContact NZ-OE2 3.91Å; K307-E362 PolarHBondContact NZ-OE2 3.3Å
363S96.1Very high94.9Very high9 Ų963.2 Ų63.26%0.06331%0.306CS..EExtended strand (participates in β ladder)trans-145.2150.2168.6-164.30000109.6I306 K338 W352I306-S363 WeakPolarHBondContact CG1-O 3.22Å; I306-S363 PolarHBondContact N-O 3.2Å; I306-S363 PolarHBondContact O-N 3.36Å; K338-S363 WeakPolarHBondContact CB-OG 3.46Å; W352-S363 WeakPolarHBondContact CZ2-OG 3.32Å
364Q95.7Very high93.8Very high73 Ų7362 Ų6234%0.34131%0.307SS..EExtended strand (participates in β ladder)trans-134151.8-178.467.1179.40.400111.2V304 V305V304-Q364 VanDerWaalsContact O-CA 3.3Å; V304-Q364 WeakPolarHBondContact O-CA 3.27Å; V305-Q364 HydrophobicContact CG2-CB 4.07Å
365I96.8Very high92.4Very high2 Ų270 Ų701%0.0135%0.35CS..EExtended strand (participates in β ladder)trans-128.8137.4169.4-178.3174.9000107.9K303 V304 I323 V334 I335 C336 A341 I350 W352K303-I365 WeakPolarHBondContact CA-O 3.37Å; V304-I365 HydrophobicContact CB-CG2 3.76Å; V304-I365 HydrophobicContact CG2-CG2 4.47Å; V304-I365 PolarHBondContact N-O 2.81Å; V304-I365 PolarHBondContact O-N 2.51Å; I323-I365 HydrophobicContact CD1-CD1 4.32Å; I323-I365 HydrophobicContact CD1-CG2 3.8Å; V334-I365 HydrophobicContact CG1-CD1 3.63Å; V334-I365 HydrophobicContact CG1-CG1 3.78Å; I335-I365 WeakPolarHBondContact O-CA 3.42Å; C336-I365 HydrophobicContact CB-CG1 4.31Å; A341-I365 HydrophobicContact CB-CD1 3.48Å; A341-I365 VanDerWaalsContact CB-CD1 3.48Å; I350-I365 HydrophobicContact CG2-CD1 4.12Å; W352-I365 HydrophobicContact CB-CD1 3.96Å; W352-I365 HydrophobicContact CD2-CB 4.13Å; W352-I365 HydrophobicContact CD2-CD1 4.3Å; W352-I365 HydrophobicContact CD2-CG2 4.03Å; W352-I365 HydrophobicContact CE3-CB 4.09Å; W352-I365 HydrophobicContact CE3-CG2 3.53Å; W352-I365 HydrophobicContact CG-CD1 3.97Å; W352-I365 HydrophobicContact CH2-CB 4.39Å; W352-I365 HydrophobicContact CH2-CG2 4.31Å; W352-I365 HydrophobicContact CZ2-CB 4.43Å; W352-I365 HydrophobicContact CZ3-CB 4.22Å; W352-I365 HydrophobicContact CZ3-CG2 3.69Å
366S97.1Very high91Very high40 Ų4067.4 Ų67.428%0.2835%0.345SS..EExtended strand (participates in β ladder)trans-117.1137.9170.2-60.90000108.3V302 I335V302-S366 CarbonylContact O-C 3.43Å; V302-S366 WeakPolarHBondContact O-CA 3.3Å; I335-S366 PolarHBondContact N-O 3.38Å; I335-S366 PolarHBondContact O-N 2.65Å
367A96.7Very high89.6Confident5 Ų570 Ų704%0.04136%0.36CS..EExtended strand (participates in β ladder)trans-135.3137.3178.500000110.4E301 V302 Q333 V334 I350E301-A367 WeakPolarHBondContact CA-O 3.4Å; V302-A367 PolarHBondContact N-O 2.76Å; V302-A367 PolarHBondContact O-N 3.38Å; Q333-A367 CarbonylContact O-C 3.53Å; Q333-A367 WeakPolarHBondContact O-CA 3.36Å; V334-A367 HydrophobicContact CG2-CB 3.98Å; I350-A367 HydrophobicContact CD1-CB 3.46Å; I350-A367 VanDerWaalsContact CD1-CB 3.46Å
368E96.5Very high88.3Confident73 Ų7379 Ų7934%0.34140%0.399SS..EExtended strand (participates in β ladder)trans-108.3122.3167.9-54.9-164.2157.900108K299 V332 Q333K299-E368 VanDerWaalsContact CE-CD 3.47Å; K299-E368 WeakPolarHBondContact CE-OE2 3.12Å; K299-E368 IonicContact NZ-OE1 3.03Å; K299-E368 PolarHBondContact NZ-OE1 3.24Å; K299-E368 VanDerWaalsContact NZ-OE1 3.15Å; K299-E368 IonicContact NZ-OE2 2.59Å; K299-E368 PolarHBondContact NZ-OE2 2.69Å; V332-E368 CarbonylContact C-O 3.58Å; V332-E368 WeakPolarHBondContact CA-O 3.11Å; Q333-E368 HydrophobicContact CB-CB 4.37Å; Q333-E368 PolarHBondContact N-O 2.88Å; Q333-E368 PolarHBondContact O-N 2.8Å
369I95.8Very high87.1Confident0 Ų087 Ų870%043%0.43CS..EExtended strand (participates in β ladder)trans-115.1116.5-176.2-59.5164.1000107.1K299 L300 V302 T325 T329 G331 V332 I350 L371K299-I369 CarbonylContact C-O 3.54Å; K299-I369 WeakPolarHBondContact CA-O 3.33Å; L300-I369 HydrophobicContact CB-CB 4.2Å; L300-I369 HydrophobicContact CD2-CD1 4.12Å; L300-I369 PolarHBondContact N-O 2.84Å; L300-I369 PolarHBondContact O-N 3.09Å; V302-I369 HydrophobicContact CG2-CD1 3.83Å; T325-I369 HydrophobicContact CG2-CD1 3.72Å; T325-I369 HydrophobicContact CG2-CG1 4.4Å; T329-I369 HydrophobicContact CG2-CG2 3.72Å; T329-I369 WeakPolarHBondContact OG1-CG2 3.42Å; G331-I369 WeakPolarHBondContact O-CA 3.45Å; V332-I369 HydrophobicContact CG1-CG1 4.35Å; V332-I369 HydrophobicContact CG2-CG1 4.31Å; V332-I369 HydrophobicContact CG2-CG2 4.37Å; I350-I369 HydrophobicContact CD1-CD1 4.27Å; I350-I369 HydrophobicContact CD1-CG1 4.37Å; I369-L371 HydrophobicContact CG2-CD2 3.81Å
370E94.1Very high86.4Confident95 Ų9590.5 Ų90.544%0.44444%0.443SS..EExtended strand (participates in β ladder)trans-82.4136.8173-65.1174.2-172.300109.4T329 S330 G331T329-E370 WeakPolarHBondContact CA-O 3.48Å; S330-E370 PolarHBondContact N-O 2.8Å; S330-E370 VanDerWaalsContact OG-CB 3.28Å; S330-E370 WeakPolarHBondContact OG-CB 3.28Å; S330-E370 PolarHBondContact OG-O 3.04Å; G331-E370 PolarHBondContact O-N 2.81Å
371L91.3Very high85.5Confident26 Ų2689 Ų8914%0.13645%0.449CS..EExtended strand (participates in β ladder)trans-119.5136-176.2-55.7-179.2000109.8T298 L300 P326 I369T298-L371 PolarHBondContact O-N 2.77Å; L300-L371 HydrophobicContact CB-CD1 4.13Å; L300-L371 HydrophobicContact CB-CG 4.49Å; P326-L371 HydrophobicContact CB-CD2 3.8Å; P326-L371 HydrophobicContact CG-CD2 3.67Å; I369-L371 HydrophobicContact CG2-CD2 3.81Å
372L88Confident85.1Confident103 Ų10387 Ų8754%0.53944%0.439SS..  trans-71.8133.2166.5-68.4167.8000109.4N328 T374N328-L372 HydrophobicContact CB-CB 4.43Å; N328-L372 PolarHBondContact ND2-O 2.83Å; N328-L372 PolarHBondContact O-N 3.33Å; L372-T374 PolarHBondContact O-N 2.85Å
373P80.4Confident84.9Confident101 Ų10184.8 Ų84.866%0.65643%0.433SS*.  trans-54.4126.5173.3-22.431.1000110.4T298T298-P373 HydrophobicContact CG2-CG 4.13Å
374T74.9Confident84.8Confident71 Ų7186.1 Ų86.144%0.43644%0.441SS..  trans-114143.6173.440.50000109.3N328 L372 D376N328-T374 HydrophobicContact CB-CG2 4.01Å; L372-T374 PolarHBondContact O-N 2.85Å; T374-D376 PolarHBondContact O-N 2.78Å
375N67.2Low84.9Confident173 Ų17382.8 Ų82.893%0.92543%0.426SS*.  trans-77.6-0.2175.6-73.3-19.9000112.5K377N375-K377 PolarHBondContact O-N 3.47Å
376D66.8Low84.9Confident124 Ų12483.9 Ų83.966%0.66343%0.434SS*.  trans-73.9122-177.8-74.4-39.5000111.6T374 K378T374-D376 PolarHBondContact O-N 2.78Å; D376-K378 PolarHBondContact O-N 2.77Å
377K65Low84.9Confident212 Ų21282 Ų8292%0.92242%0.421SS*.  trans-73.9-7.1171.6-66.1-177.3179.7178.70113N375 K379N375-K377 PolarHBondContact O-N 3.47Å; K377-K379 PolarHBondContact O-N 2.78Å
378K70.4Confident84.9Confident189 Ų18985.4 Ų85.482%0.82244%0.438SS*.SBendtrans-80.9119-178-72.5-173.81801780109.7D376 W380D376-K378 PolarHBondContact O-N 2.77Å; K378-W380 PolarHBondContact O-N 3Å
379K72.5Confident85Confident191 Ų19182.3 Ų82.383%0.8342%0.423SS*.PPolyproline II helixtrans-58.5137.3170.9-68.9-173.7176.7-176.70109.5K377 A381K377-K379 PolarHBondContact O-N 2.78Å; K379-A381 PolarHBondContact O-N 3.16Å
380W81Confident85.1Confident72 Ų7285.1 Ų85.127%0.27344%0.437SS..PPolyproline II helixtrans-57.4123.4177.1174.351.6000110.1L300 P324 T325 P326 K378 R382 P383L300-W380 HydrophobicContact CD2-CE3 4.33Å; L300-W380 HydrophobicContact CD2-CZ3 3.74Å; P324-W380 HydrophobicContact CB-CZ2 4.38Å; T325-W380 VanDerWaalsContact C-CZ2 3.41Å; P326-W380 HydrophobicContact CB-CD2 4.21Å; P326-W380 HydrophobicContact CB-CG 4.44Å; P326-W380 HydrophobicContact CG-CD2 3.74Å; P326-W380 HydrophobicContact CG-CE3 3.68Å; P326-W380 HydrophobicContact CG-CG 4.37Å; P326-W380 HydrophobicContact CG-CH2 4.06Å; P326-W380 HydrophobicContact CG-CZ2 4.09Å; P326-W380 HydrophobicContact CG-CZ3 3.85Å; K378-W380 PolarHBondContact O-N 3Å; W380-R382 HydrophobicContact CD2-CG 4.18Å; W380-R382 HydrophobicContact CE3-CB 4.45Å; W380-R382 HydrophobicContact CE3-CG 3.57Å; W380-R382 HydrophobicContact CH2-CG 4.49Å; W380-R382 HydrophobicContact CZ3-CB 4.39Å; W380-R382 HydrophobicContact CZ3-CG 3.75Å; W380-R382 PolarHBondContact O-N 2.93Å; W380-P383 HydrophobicContact CZ2-CG 4.39Å
381A78.2Confident85.3Confident86 Ų8680.7 Ų80.771%0.71142%0.416SS*.  trans-73.596.5173.100000108K379 P383K379-A381 PolarHBondContact O-N 3.16Å; A381-P383 WeakPolarHBondContact O-CD 3.27Å; A381-P383 VanDerWaalsContact O-N 3.12Å
382R86.6Confident85.5Confident80 Ų8082.7 Ų82.730%0.30243%0.43SS..  trans-63.2105.7-176.1-63.4178.8-175.61762.2110.3E294 W380 C434E294-R382 IonicContact OE1-CZ 3.96Å; E294-R382 IonicContact OE1-NE 3.98Å; E294-R382 IonicContact OE1-NH2 3.9Å; E294-R382 PolarHBondContact OE1-NH2 2.89Å; W380-R382 HydrophobicContact CD2-CG 4.18Å; W380-R382 HydrophobicContact CE3-CB 4.45Å; W380-R382 HydrophobicContact CE3-CG 3.57Å; W380-R382 HydrophobicContact CH2-CG 4.49Å; W380-R382 HydrophobicContact CZ3-CB 4.39Å; W380-R382 HydrophobicContact CZ3-CG 3.75Å; W380-R382 PolarHBondContact O-N 2.93Å; R382-C434 WeakPolarHBondContact CB-O 3.43Å; R382-C434 VanDerWaalsContact CD-C 3.5Å; R382-C434 VanDerWaalsContact CD-O 3.28Å; R382-C434 WeakPolarHBondContact CD-O 3.22Å; R382-C434 VanDerWaalsContact CD-OXT 3.28Å; R382-C434 WeakPolarHBondContact CD-OXT 3.5Å; R382-C434 PolarHBondContact NH1-OXT 2.8Å
383P91.3Very high85.9Confident55 Ų5579.1 Ų79.136%0.35741%0.411SS..PPolyproline II helixtrans-67.5147.2176.4-11.528.7000108.7P324 W380 A381 C434P324-P383 HydrophobicContact CB-CB 3.99Å; P324-P383 HydrophobicContact CB-CG 3.89Å; P324-P383 HydrophobicContact CG-CB 3.88Å; P324-P383 HydrophobicContact CG-CG 4.36Å; P324-P383 WeakPolarHBondContact CG-O 3.46Å; W380-P383 HydrophobicContact CZ2-CG 4.39Å; A381-P383 WeakPolarHBondContact O-CD 3.27Å; A381-P383 VanDerWaalsContact O-N 3.12Å; P383-C434 PolarHBondContact O-SG 2.83Å
384P95Very high86.6Confident37 Ų3774.7 Ų74.724%0.2438%0.383CS..PPolyproline II helixtrans-63.8148.3-177.426.9-34.1000111.8P324 E431 T432P324-P384 WeakPolarHBondContact CG-O 3.3Å; P384-E431 HydrophobicContact CB-CB 4.01Å; P384-E431 HydrophobicContact CB-CG 4.44Å; P384-E431 HydrophobicContact CG-CB 4.28Å; P384-E431 HydrophobicContact CG-CG 4.31Å; P384-E431 WeakPolarHBondContact CG-OE2 3.31Å; P384-T432 CarbonylContact C-O 3.48Å; P384-T432 WeakPolarHBondContact CA-O 3.47Å; P384-T432 WeakPolarHBondContact CB-O 3.16Å
385I96.6Very high87.6Confident3 Ų371.3 Ų71.32%0.01536%0.362CS..EExtended strand (participates in β ladder)trans-72.1126.8168.8-58.4-170.7000107.9V288 P290 V304 V321 R322 I323 E431 T432V288-I385 HydrophobicContact CG1-CG2 4.17Å; P290-I385 HydrophobicContact CB-CD1 3.69Å; V304-I385 HydrophobicContact CG1-CD1 4.33Å; V304-I385 HydrophobicContact CG2-CD1 3.56Å; V321-I385 HydrophobicContact CG1-CG2 3.67Å; R322-I385 WeakPolarHBondContact O-CA 3.48Å; R322-I385 WeakPolarHBondContact O-CG2 3.5Å; I323-I385 HydrophobicContact CG1-CD1 4.36Å; I323-I385 HydrophobicContact CG1-CG2 4.21Å; I323-I385 HydrophobicContact CG2-CD1 4.12Å; I323-I385 HydrophobicContact CG2-CG1 4.48Å; I385-E431 CarbonylContact O-C 3.58Å; I385-E431 WeakPolarHBondContact O-CA 3.48Å; I385-T432 PolarHBondContact N-O 2.87Å; I385-T432 PolarHBondContact O-N 3.08Å
386S97.2Very high88.9Confident25 Ų2563.3 Ų63.318%0.17532%0.32CS..EExtended strand (participates in β ladder)trans-108.1149.1176.865.80000111.8V321 R322 Y430V321-S386 WeakPolarHBondContact CA-O 3.33Å; R322-S386 WeakPolarHBondContact CB-OG 3.28Å; R322-S386 PolarHBondContact N-O 3.23Å; R322-S386 PolarHBondContact O-N 2.78Å; R322-S386 VanDerWaalsContact O-N 3.09Å; S386-Y430 VanDerWaalsContact CA-O 3.32Å; S386-Y430 WeakPolarHBondContact CA-O 3.22Å
387M96.9Very high90.1Very high2 Ų258 Ų581%0.0129%0.293CS..EExtended strand (participates in β ladder)trans-131.3126.3-179.4-173.2178.3-176.100110.8F286 V288 I306 I319 E320 V321 F389 S427 Y430F286-M387 HydrophobicContact CB-CE 4.01Å; F286-M387 HydrophobicContact CB-SD 3.75Å; F286-M387 HydrophobicContact CD1-CE 3.49Å; F286-M387 VanDerWaalsContact CD1-CE 3.49Å; F286-M387 HydrophobicContact CD1-SD 4.37Å; F286-M387 HydrophobicContact CD2-CE 3.63Å; F286-M387 HydrophobicContact CD2-SD 4.13Å; F286-M387 HydrophobicContact CE1-CE 3.75Å; F286-M387 HydrophobicContact CE2-CE 3.9Å; F286-M387 HydrophobicContact CG-CE 3.41Å; F286-M387 VanDerWaalsContact CG-CE 3.41Å; F286-M387 HydrophobicContact CG-SD 3.83Å; F286-M387 HydrophobicContact CZ-CE 3.94Å; V288-M387 HydrophobicContact CG2-CB 4.43Å; V288-M387 HydrophobicContact CG2-SD 3.79Å; I306-M387 HydrophobicContact CD1-CE 4.33Å; I319-M387 HydrophobicContact CG2-CE 3.4Å; I319-M387 VanDerWaalsContact CG2-CE 3.4Å; E320-M387 CarbonylContact O-C 3.55Å; E320-M387 WeakPolarHBondContact O-CA 3.5Å; V321-M387 HydrophobicContact CG2-CE 4.38Å; V321-M387 HydrophobicContact CG2-CG 4.04Å; V321-M387 HydrophobicContact CG2-SD 4.42Å; M387-F389 HydrophobicContact CE-CD1 4.44Å; M387-F389 HydrophobicContact CG-CD1 4.08Å; M387-F389 HydrophobicContact SD-CD1 4.31Å; M387-S427 VanDerWaalsContact O-CB 3.28Å; M387-S427 WeakPolarHBondContact O-CB 3.23Å; M387-Y430 HydrophobicContact CB-CD1 3.93Å; M387-Y430 PolarHBondContact N-O 3.17Å; M387-Y430 WeakPolarHBondContact O-CB 3.12Å
388N97.9Very high91.4Very high76 Ų7648 Ų4841%0.40625%0.25SS..EExtended strand (participates in β ladder)trans-103.2140.4169.7-69.1-53000111I319 E320 S427I319-N388 CarbonylContact C-O 3.51Å; I319-N388 VanDerWaalsContact CA-O 3.26Å; I319-N388 WeakPolarHBondContact CA-O 3.39Å; E320-N388 HydrophobicContact CB-CB 4.32Å; E320-N388 PolarHBondContact N-O 2.9Å; E320-N388 PolarHBondContact O-N 2.92Å; N388-S427 VanDerWaalsContact CA-OG 3.23Å; N388-S427 WeakPolarHBondContact CA-OG 3.4Å; N388-S427 PolarHBondContact OD1-OG 3.4Å; N388-S427 VanDerWaalsContact OD1-OG 3.09Å
389F97.6Very high92.5Very high7 Ų743.7 Ų43.73%0.03123%0.231CC..EExtended strand (participates in β ladder)trans-161.5164.917859.4-98.8000112P285 F286 I319 M387 V391 R426 S427 Y430P285-F389 HydrophobicContact CB-CE2 4.11Å; P285-F389 HydrophobicContact CB-CZ 4.3Å; P285-F389 HydrophobicContact CG-CE2 3.81Å; P285-F389 HydrophobicContact CG-CZ 3.96Å; F286-F389 HydrophobicContact CD2-CB 4.34Å; F286-F389 AromaticContact CD2-CD1 3.58Å; F286-F389 HydrophobicContact CD2-CD1 3.58Å; F286-F389 HydrophobicContact CD2-CD2 4.19Å; F286-F389 AromaticContact CD2-CE1 3.83Å; F286-F389 HydrophobicContact CD2-CE1 3.83Å; F286-F389 HydrophobicContact CD2-CE2 4.41Å; F286-F389 AromaticContact CD2-CG 3.77Å; F286-F389 HydrophobicContact CD2-CG 3.77Å; F286-F389 HydrophobicContact CD2-CZ 4.25Å; F286-F389 HydrophobicContact CE2-CB 3.71Å; F286-F389 AromaticContact CE2-CD1 3.84Å; F286-F389 HydrophobicContact CE2-CD1 3.84Å; F286-F389 AromaticContact CE2-CD2 3.89Å; F286-F389 HydrophobicContact CE2-CD2 3.89Å; F286-F389 HydrophobicContact CE2-CE1 4.43Å; F286-F389 HydrophobicContact CE2-CE2 4.49Å; F286-F389 AromaticContact CE2-CG 3.53Å; F286-F389 HydrophobicContact CE2-CG 3.53Å; F286-F389 HydrophobicContact CZ-CB 4.48Å; I319-F389 HydrophobicContact CG1-CB 4.28Å; M387-F389 HydrophobicContact CE-CD1 4.44Å; M387-F389 HydrophobicContact CG-CD1 4.08Å; M387-F389 HydrophobicContact SD-CD1 4.31Å; F389-V391 HydrophobicContact CD2-CG1 3.98Å; F389-V391 HydrophobicContact CE2-CG1 4.41Å; F389-V391 HydrophobicContact CE2-CG2 4.37Å; F389-R426 WeakPolarHBondContact O-CA 3.47Å; F389-S427 PolarHBondContact N-OG 2.82Å; F389-S427 PolarHBondContact O-N 2.83Å; F389-Y430 HydrophobicContact CE1-CD1 4.15Å; F389-Y430 AromaticContact CE1-CD2 3.72Å; F389-Y430 HydrophobicContact CE1-CD2 3.72Å; F389-Y430 HydrophobicContact CE1-CE1 4.25Å; F389-Y430 AromaticContact CE1-CE2 3.86Å; F389-Y430 HydrophobicContact CE1-CE2 3.86Å; F389-Y430 AromaticContact CE1-CG 3.86Å; F389-Y430 HydrophobicContact CE1-CG 3.86Å; F389-Y430 AromaticContact CZ-CD2 3.93Å; F389-Y430 HydrophobicContact CZ-CD2 3.93Å; F389-Y430 AromaticContact CZ-CE2 3.93Å; F389-Y430 HydrophobicContact CZ-CE2 3.93Å
390E98Very high93.4Very high60 Ų6036 Ų3628%0.2820%0.201SC..EExtended strand (participates in β ladder)trans-129.3132.6168.4-166.4-179.8125.500109.3A316 Q317 K318 I424 G425A316-E390 CarbonylContact C-O 3.53Å; A316-E390 VanDerWaalsContact CA-O 3.29Å; A316-E390 WeakPolarHBondContact CA-O 3.42Å; Q317-E390 PolarHBondContact N-O 2.83Å; Q317-E390 PolarHBondContact O-N 2.81Å; K318-E390 IonicContact NZ-OE2 3.32Å; K318-E390 PolarHBondContact NZ-OE2 3.36Å; E390-I424 HydrophobicContact CG-CG2 3.85Å; E390-G425 CarbonylContact C-O 3.57Å; E390-G425 WeakPolarHBondContact CA-O 3.26Å
391V97.5Very high93.8Very high2 Ų238.4 Ų38.41%0.01221%0.21CC..EExtended strand (participates in β ladder)trans-129.1139.3179.2-66.40000111.2P285 F286 F310 A316 F389 F393 G425P285-V391 HydrophobicContact CB-CG1 4.08Å; P285-V391 HydrophobicContact CB-CG2 4.49Å; P285-V391 HydrophobicContact CG-CG2 4.23Å; F286-V391 HydrophobicContact CE2-CG1 4.25Å; F310-V391 HydrophobicContact CE1-CG1 4.35Å; A316-V391 HydrophobicContact CB-CG1 3.78Å; F389-V391 HydrophobicContact CD2-CG1 3.98Å; F389-V391 HydrophobicContact CE2-CG1 4.41Å; F389-V391 HydrophobicContact CE2-CG2 4.37Å; V391-F393 HydrophobicContact CB-CD1 3.69Å; V391-F393 HydrophobicContact CB-CE1 3.5Å; V391-F393 VanDerWaalsContact CB-CE1 3.5Å; V391-F393 HydrophobicContact CB-CZ 4.44Å; V391-F393 HydrophobicContact CG1-CE1 4.01Å; V391-F393 HydrophobicContact CG2-CD1 3.73Å; V391-F393 HydrophobicContact CG2-CE1 3.48Å; V391-F393 VanDerWaalsContact CG2-CE1 3.48Å; V391-F393 HydrophobicContact CG2-CG 4.44Å; V391-F393 HydrophobicContact CG2-CZ 3.99Å; V391-F393 PolarHBondContact O-N 2.83Å; V391-G425 WeakPolarHBondContact CG2-O 3.23Å; V391-G425 PolarHBondContact N-O 2.7Å; V391-G425 PolarHBondContact O-N 3.14Å
392P96.4Very high94.5Very high67 Ų6738.4 Ų38.444%0.43519%0.192SC..SBendtrans-85.948.1-175.136.4-38.1000112.4L314 L315 Y423L314-P392 HydrophobicContact CB-CG 4.2Å; L314-P392 HydrophobicContact CD2-CG 4.2Å; L315-P392 WeakPolarHBondContact O-CD 3.42Å; P392-Y423 CarbonylContact C-O 3.53Å; P392-Y423 VanDerWaalsContact C-O 3.32Å
393F96Very high94.8Very high29 Ų2935.4 Ų35.413%0.12718%0.182CC..SBendtrans-152.9169.1174.371.1-86.4000110.3I283 P285 F310 L314 V391 P395 Y423 G425I283-F393 HydrophobicContact CB-CE2 4.3Å; I283-F393 HydrophobicContact CG2-CE2 4.04Å; I283-F393 HydrophobicContact CG2-CZ 4.35Å; P285-F393 HydrophobicContact CB-CE1 4.42Å; P285-F393 HydrophobicContact CB-CZ 4Å; P285-F393 HydrophobicContact CG-CZ 3.87Å; F310-F393 HydrophobicContact CB-CE1 3.73Å; F310-F393 HydrophobicContact CB-CZ 3.87Å; F310-F393 HydrophobicContact CD1-CE1 4.25Å; F310-F393 HydrophobicContact CD2-CE1 4.44Å; F310-F393 AromaticContact CG-CE1 3.91Å; F310-F393 HydrophobicContact CG-CE1 3.91Å; F310-F393 HydrophobicContact CG-CZ 4.41Å; L314-F393 HydrophobicContact CD1-CB 4.24Å; L314-F393 HydrophobicContact CD1-CD1 3.96Å; L314-F393 HydrophobicContact CD1-CG 4.39Å; V391-F393 HydrophobicContact CB-CD1 3.69Å; V391-F393 HydrophobicContact CB-CE1 3.5Å; V391-F393 VanDerWaalsContact CB-CE1 3.5Å; V391-F393 HydrophobicContact CB-CZ 4.44Å; V391-F393 HydrophobicContact CG1-CE1 4.01Å; V391-F393 HydrophobicContact CG2-CD1 3.73Å; V391-F393 HydrophobicContact CG2-CE1 3.48Å; V391-F393 VanDerWaalsContact CG2-CE1 3.48Å; V391-F393 HydrophobicContact CG2-CG 4.44Å; V391-F393 HydrophobicContact CG2-CZ 3.99Å; V391-F393 PolarHBondContact O-N 2.83Å; F393-P395 HydrophobicContact CE2-CG 4.31Å; F393-P395 VanDerWaalsContact O-CD 3.22Å; F393-P395 WeakPolarHBondContact O-CD 3.46Å; F393-Y423 PolarHBondContact N-O 3.45Å; F393-G425 WeakPolarHBondContact O-CA 3.36Å; F393-G425 PolarHBondContact O-N 2.83Å
394A96.1Very high95Very high8 Ų837.9 Ų37.97%0.06619%0.187CC..  trans-91.4108.417200000110.7V176 E178 S396 G397 L398 Y423V176-A394 HydrophobicContact CG1-CB 4.38Å; E178-A394 WeakPolarHBondContact OE2-CA 3.25Å; E178-A394 WeakPolarHBondContact OE2-CB 3.46Å; A394-S396 PolarHBondContact O-N 2.82Å; A394-G397 PolarHBondContact O-N 2.86Å; A394-L398 HydrophobicContact CB-CB 4.48Å; A394-Y423 HydrophobicContact CB-CD1 3.86Å
395P95.2Very high95Very high0 Ų036.3 Ų36.30%018%0.177CC..THydrogen-bonded Turntrans-49.4-29.8172.6-32.237.6000116.5E178 V180 V195 I283 P285 F393 G397E178-P395 WeakPolarHBondContact OE2-CD 3.29Å; V180-P395 HydrophobicContact CG2-CB 3.42Å; V180-P395 VanDerWaalsContact CG2-CB 3.42Å; V180-P395 HydrophobicContact CG2-CG 3.29Å; V195-P395 HydrophobicContact CG2-CB 4.01Å; I283-P395 PolarHBondContact N-O 2.88Å; P285-P395 HydrophobicContact CG-CG 4.34Å; F393-P395 HydrophobicContact CE2-CG 4.31Å; F393-P395 VanDerWaalsContact O-CD 3.22Å; F393-P395 WeakPolarHBondContact O-CD 3.46Å; P395-G397 PolarHBondContact O-N 2.87Å
396S94.4Very high95Very high5 Ų541.4 Ų41.44%0.03520%0.199CC..THydrogen-bonded Turntrans-76.3-12.9175.975.50000113.5E178 I240 A394 L398E178-S396 VanDerWaalsContact CD-OG 3.31Å; E178-S396 WeakPolarHBondContact OE1-CB 3.24Å; E178-S396 PolarHBondContact OE1-OG 2.79Å; E178-S396 PolarHBondContact OE2-N 2.89Å; E178-S396 PolarHBondContact OE2-OG 2.84Å; I240-S396 VanDerWaalsContact CD1-OG 3.27Å; I240-S396 WeakPolarHBondContact CD1-OG 3.32Å; A394-S396 PolarHBondContact O-N 2.82Å; S396-L398 VanDerWaalsContact C-N 3.3Å; S396-L398 WeakPolarHBondContact OG-CB 3.43Å; S396-L398 PolarHBondContact OG-N 2.84Å; S396-L398 VanDerWaalsContact OG-N 3.09Å
397G91.9Very high94.9Very high11 Ų1140.2 Ų40.211%0.11319%0.191CC..  trans77.810.8-170.400000114.2N216 A394 P395 K399N216-G397 PolarHBondContact ND2-O 2.98Å; A394-G397 PolarHBondContact O-N 2.86Å; P395-G397 PolarHBondContact O-N 2.87Å; G397-K399 PolarHBondContact O-N 2.96Å
398L93.1Very high94.6Very high2 Ų244 Ų441%0.0122%0.215CC..  trans-55.9131.3172.9-167.9141.3000110.6V176 M215 I240 Y276 A394 S396 Y423V176-L398 HydrophobicContact CG1-CD2 3.91Å; V176-L398 HydrophobicContact CG2-CD2 4.05Å; M215-L398 HydrophobicContact SD-CD1 4.03Å; I240-L398 HydrophobicContact CD1-CB 3.89Å; I240-L398 HydrophobicContact CD1-CD1 4.04Å; I240-L398 HydrophobicContact CD1-CG 4.39Å; Y276-L398 HydrophobicContact CD1-CD1 4.42Å; Y276-L398 HydrophobicContact CD2-CD1 4.4Å; Y276-L398 HydrophobicContact CE1-CD1 3.87Å; Y276-L398 HydrophobicContact CE2-CD1 3.84Å; A394-L398 HydrophobicContact CB-CB 4.48Å; S396-L398 VanDerWaalsContact C-N 3.3Å; S396-L398 WeakPolarHBondContact OG-CB 3.43Å; S396-L398 PolarHBondContact OG-N 2.84Å; S396-L398 VanDerWaalsContact OG-N 3.09Å; L398-Y423 HydrophobicContact CD2-CE1 4.41Å; L398-Y423 VanDerWaalsContact O-CE1 3.28Å; L398-Y423 WeakPolarHBondContact O-CE1 3.02Å
399K92.3Very high94.2Very high99 Ų9947.3 Ų47.343%0.4323%0.226SC..  trans-133.7131.8173.1-66.3177.8-169.21640109.5M215 N216 G397 R401M215-K399 WeakPolarHBondContact CA-O 3.46Å; N216-K399 PolarHBondContact N-O 2.75Å; N216-K399 VanDerWaalsContact N-O 3.15Å; N216-K399 PolarHBondContact OD1-N 2.89Å; N216-K399 PolarHBondContact OD1-O 3.36Å; G397-K399 PolarHBondContact O-N 2.96Å; K399-R401 PolarHBondContact O-N 2.87Å
400V92.1Very high93.9Very high31 Ų3151.1 Ų51.119%0.18825%0.246CC..EExtended strand (participates in β ladder)trans-68.6115.5168.1-176.30000107.9L174 V176 F213 V421 Y423L174-V400 HydrophobicContact CD1-CG1 4.36Å; L174-V400 HydrophobicContact CD1-CG2 4.46Å; V176-V400 HydrophobicContact CG2-CG2 4.23Å; F213-V400 HydrophobicContact CD2-CG1 4.14Å; F213-V400 HydrophobicContact CE2-CB 4.18Å; F213-V400 HydrophobicContact CE2-CG1 3.65Å; F213-V400 HydrophobicContact CE2-CG2 3.63Å; F213-V400 HydrophobicContact CZ-CG2 4.04Å; V400-V421 HydrophobicContact CB-CG2 4.46Å; V400-V421 HydrophobicContact CG2-CG2 3.85Å; V400-Y423 PolarHBondContact N-OH 3.03Å
401R90.3Very high93.5Very high121 Ų12155 Ų5546%0.45727%0.269SS..EExtended strand (participates in β ladder)trans-81.9-42.1176.6-73-174.867.4-172.8-0.3111.2G214 M215 N216 K399G214-R401 PolarHBondContact O-N 3Å; M215-R401 WeakPolarHBondContact O-CD 3.43Å; N216-R401 HydrophobicContact CB-CG 4.31Å; K399-R401 PolarHBondContact O-N 2.87Å
402Y91.2Very high93.3Very high86 Ų8655.7 Ų55.734%0.33727%0.271SS..EExtended strand (participates in β ladder)trans-157153.317760.5-98.8000110.8K212 G214 K404K212-Y402 HydrophobicContact CB-CE2 4.45Å; G214-Y402 PolarHBondContact N-O 2.85Å; G214-Y402 PolarHBondContact O-N 3.29Å; Y402-K404 HydrophobicContact CD2-CG 4.01Å
403L93.6Very high93.2Very high18 Ų1854.4 Ų54.49%0.09426%0.264CS..EExtended strand (participates in β ladder)trans-132.6109.9165.1177.366.3000106.6L172 L174 K212 F213 K419L172-L403 HydrophobicContact CB-CD2 4.2Å; L172-L403 HydrophobicContact CD1-CD2 3.66Å; L172-L403 HydrophobicContact CD1-CG 4.3Å; L174-L403 HydrophobicContact CD1-CD2 3.75Å; L174-L403 HydrophobicContact CD1-CG 4.49Å; L174-L403 HydrophobicContact CG-CD2 4.15Å; K212-L403 CarbonylContact O-C 3.54Å; K212-L403 WeakPolarHBondContact O-CA 3.28Å; F213-L403 HydrophobicContact CB-CD1 4.21Å; F213-L403 HydrophobicContact CD2-CD1 4.34Å; L403-K419 HydrophobicContact CD2-CD 4.47Å; L403-K419 HydrophobicContact CD2-CG 4.42Å; L403-K419 WeakPolarHBondContact O-CE 3.39Å; L403-K419 PolarHBondContact O-NZ 2.97Å
404K94.8Very high92.9Very high107 Ų10755.4 Ų55.447%0.46527%0.271SS..EExtended strand (participates in β ladder)trans-99.9146177.2-58.7-171.8177.1-172.50110.5C211 K212 Y402 D414C211-K404 CarbonylContact C-O 3.57Å; C211-K404 WeakPolarHBondContact CA-O 3.47Å; K212-K404 HydrophobicContact CB-CB 4.26Å; K212-K404 PolarHBondContact N-O 3.18Å; K212-K404 PolarHBondContact O-N 2.82Å; Y402-K404 HydrophobicContact CD2-CG 4.01Å; K404-D414 VanDerWaalsContact C-OD1 3.3Å; K404-D414 WeakPolarHBondContact CA-OD1 3.41Å; K404-D414 WeakPolarHBondContact CB-OD2 3.47Å; K404-D414 WeakPolarHBondContact CG-OD2 3.48Å
405V96Very high92.6Very high3 Ų363.4 Ų63.42%0.01831%0.306CS..EExtended strand (participates in β ladder)trans-139130.8-177.6-171.90000107.4L172 L205 P209 Y412 S413 D414 V417L172-V405 HydrophobicContact CD1-CG2 3.41Å; L172-V405 VanDerWaalsContact CD1-CG2 3.41Å; L205-V405 HydrophobicContact CD1-CG1 3.99Å; P209-V405 HydrophobicContact CB-CG1 3.96Å; V405-Y412 HydrophobicContact CG1-CE2 4.08Å; V405-S413 CarbonylContact O-C 3.55Å; V405-D414 PolarHBondContact N-OD1 3.24Å; V405-D414 PolarHBondContact O-N 3.35Å; V405-V417 HydrophobicContact CB-CG2 4.2Å; V405-V417 HydrophobicContact CG1-CG2 4.02Å; V405-V417 HydrophobicContact CG2-CG1 4.36Å
406F95.6Very high92.5Very high110 Ų11067.5 Ų67.548%0.48233%0.328SS..EExtended strand (participates in β ladder)trans-142.5122.8177.7178.7-109000109.5P209 E210 P408P209-F406 CarbonylContact C-O 3.54Å; P209-F406 WeakPolarHBondContact CA-O 3.5Å; E210-F406 PolarHBondContact N-O 3.42Å; E210-F406 PolarHBondContact O-N 3.41Å; F406-P408 HydrophobicContact CD1-CB 4.5Å; F406-P408 HydrophobicContact CE1-CB 3.72Å; F406-P408 HydrophobicContact CE1-CG 4.2Å; F406-P408 HydrophobicContact CZ-CB 4.1Å
407E95.3Very high92.6Very high1 Ų167.8 Ų67.81%0.00533%0.33CS..BIsolated β-bridgetrans-114.9101.3174.4174.249.3-115.300109.7M208 P209 K409 L410 N411 Y412M208-E407 VanDerWaalsContact CA-OE2 3.25Å; M208-E407 WeakPolarHBondContact CA-OE2 3.4Å; M208-E407 PolarHBondContact N-OE2 2.83Å; P209-E407 VanDerWaalsContact CA-OE2 3.28Å; P209-E407 WeakPolarHBondContact CA-OE2 3.45Å; P209-E407 HydrophobicContact CB-CB 4.25Å; P209-E407 WeakPolarHBondContact CD-OE2 3.39Å; E407-K409 PolarHBondContact O-N 2.99Å; E407-K409 WeakPolarHBondContact OE1-CB 3.3Å; E407-K409 PolarHBondContact OE1-N 2.85Å; E407-L410 HydrophobicContact CG-CB 3.68Å; E407-L410 HydrophobicContact CG-CD1 4.3Å; E407-L410 HydrophobicContact CG-CG 4.06Å; E407-N411 WeakPolarHBondContact O-CA 3.37Å; E407-N411 PolarHBondContact O-N 3.47Å; E407-Y412 HydrophobicContact CB-CD1 3.66Å; E407-Y412 HydrophobicContact CB-CD2 4.15Å; E407-Y412 HydrophobicContact CB-CE1 3.38Å; E407-Y412 HydrophobicContact CB-CE2 3.88Å; E407-Y412 HydrophobicContact CB-CG 4.02Å; E407-Y412 VanDerWaalsContact CB-CZ 3.48Å; E407-Y412 HydrophobicContact CG-CD1 3.85Å; E407-Y412 HydrophobicContact CG-CE1 3.5Å; E407-Y412 PolarHBondContact N-O 2.86Å; E407-Y412 PolarHBondContact O-N 2.93Å
408P90.4Very high92.8Very high80 Ų8070.8 Ų70.852%0.51934%0.342SS..THydrogen-bonded Turntrans-68.4-33.7-175.424.6-32.2000113.7F406F406-P408 HydrophobicContact CD1-CB 4.5Å; F406-P408 HydrophobicContact CE1-CB 3.72Å; F406-P408 HydrophobicContact CE1-CG 4.2Å; F406-P408 HydrophobicContact CZ-CB 4.1Å
409K91.3Very high92.9Very high147 Ų14774.1 Ų74.164%0.63936%0.357SS*.THydrogen-bonded Turntrans-78.1-38.1-173.6-64.8-177.1178.2-178.60112.2E163 E407E163-K409 IonicContact OE1-NZ 3.68Å; E163-K409 PolarHBondContact OE1-NZ 3.32Å; E163-K409 IonicContact OE2-NZ 3.56Å; E407-K409 PolarHBondContact O-N 2.99Å; E407-K409 WeakPolarHBondContact OE1-CB 3.3Å; E407-K409 PolarHBondContact OE1-N 2.85Å
410L90.8Very high93.1Very high87 Ų8777 Ų7746%0.45537%0.365SS..THydrogen-bonded Turntrans-971.2179.6-56.3176.5000112.9E407 Y412E407-L410 HydrophobicContact CG-CB 3.68Å; E407-L410 HydrophobicContact CG-CD1 4.3Å; E407-L410 HydrophobicContact CG-CG 4.06Å; L410-Y412 VanDerWaalsContact C-N 3.31Å; L410-Y412 HydrophobicContact CB-CD1 3.98Å; L410-Y412 HydrophobicContact CB-CE1 4.35Å; L410-Y412 HydrophobicContact CD1-CE1 4.34Å; L410-Y412 PolarHBondContact O-N 2.71Å
411N89.7Confident93.3Very high140 Ų14078.9 Ų78.975%0.74938%0.376SS*.THydrogen-bonded Turntrans52.842.6175.3-162.837000114.1E407E407-N411 WeakPolarHBondContact O-CA 3.37Å; E407-N411 PolarHBondContact O-N 3.47Å
412Y93.8Very high93.6Very high18 Ų1879.2 Ų79.27%0.07138%0.378CS..BIsolated β-bridgetrans-115.8151.7170.980.6-105.6000110.9S206 V405 E407 L410 D416 V417S206-Y412 PolarHBondContact N-OH 2.9Å; S206-Y412 WeakPolarHBondContact O-CE1 3.34Å; S206-Y412 PolarHBondContact O-OH 3.11Å; V405-Y412 HydrophobicContact CG1-CE2 4.08Å; E407-Y412 HydrophobicContact CB-CD1 3.66Å; E407-Y412 HydrophobicContact CB-CD2 4.15Å; E407-Y412 HydrophobicContact CB-CE1 3.38Å; E407-Y412 HydrophobicContact CB-CE2 3.88Å; E407-Y412 HydrophobicContact CB-CG 4.02Å; E407-Y412 VanDerWaalsContact CB-CZ 3.48Å; E407-Y412 HydrophobicContact CG-CD1 3.85Å; E407-Y412 HydrophobicContact CG-CE1 3.5Å; E407-Y412 PolarHBondContact N-O 2.86Å; E407-Y412 PolarHBondContact O-N 2.93Å; L410-Y412 VanDerWaalsContact C-N 3.31Å; L410-Y412 HydrophobicContact CB-CD1 3.98Å; L410-Y412 HydrophobicContact CB-CE1 4.35Å; L410-Y412 HydrophobicContact CD1-CE1 4.34Å; L410-Y412 PolarHBondContact O-N 2.71Å; Y412-D416 WeakPolarHBondContact CA-OD2 3.44Å; Y412-D416 HydrophobicContact CD2-CB 4.33Å; Y412-D416 HydrophobicContact CG-CB 4.49Å; Y412-V417 HydrophobicContact CD2-CG2 3.84Å; Y412-V417 HydrophobicContact CE2-CG2 3.65Å
413S93.2Very high93.9Very high40 Ų4077.8 Ų77.828%0.2837%0.372SS..  trans-134.4-167.4-168.472.60000111.9V405 H415 D416V405-S413 CarbonylContact O-C 3.55Å; S413-H415 PolarHBondContact O-N 2.86Å; S413-H415 VanDerWaalsContact O-N 3.14Å; S413-D416 PolarHBondContact N-OD2 3.3Å; S413-D416 PolarHBondContact O-N 3.41Å; S413-D416 PolarHBondContact OG-OD2 3.17Å
414D89.6Confident94.1Very high50 Ų5078.6 Ų78.627%0.26738%0.376SS..G310 helixtrans-53.1-33-179.8-82.8-29.7000115.1K404 V405 D416 K419K404-D414 VanDerWaalsContact C-OD1 3.3Å; K404-D414 WeakPolarHBondContact CA-OD1 3.41Å; K404-D414 WeakPolarHBondContact CB-OD2 3.47Å; K404-D414 WeakPolarHBondContact CG-OD2 3.48Å; V405-D414 PolarHBondContact N-OD1 3.24Å; V405-D414 PolarHBondContact O-N 3.35Å; D414-D416 VanDerWaalsContact C-N 3.3Å; D414-K419 VanDerWaalsContact CG-NZ 3.33Å; D414-K419 IonicContact OD1-NZ 3.45Å; D414-K419 PolarHBondContact OD1-NZ 2.69Å
415H89.9Confident94.3Very high176 Ų17673.5 Ų73.582%0.81535%0.354SS*.G310 helixtrans-76.6-20.6-177.3-62.3-73.2000112.8S413S413-H415 PolarHBondContact O-N 2.86Å; S413-H415 VanDerWaalsContact O-N 3.14Å
416D93.3Very high94.3Very high86 Ų8678.8 Ų78.846%0.4637%0.373SS..G310 helixtrans-94.32.1-176.1-50.7-61.7000112.4Y412 S413 D414Y412-D416 WeakPolarHBondContact CA-OD2 3.44Å; Y412-D416 HydrophobicContact CD2-CB 4.33Å; Y412-D416 HydrophobicContact CG-CB 4.49Å; S413-D416 PolarHBondContact N-OD2 3.3Å; S413-D416 PolarHBondContact O-N 3.41Å; S413-D416 PolarHBondContact OG-OD2 3.17Å; D414-D416 VanDerWaalsContact C-N 3.3Å
417V95.8Very high94.3Very high11 Ų1174.3 Ų74.37%0.06736%0.356CS..EExtended strand (participates in β ladder)trans-121.9123.3-174.5-176.90000110.5N170 L172 L205 V405 Y412 K419N170-V417 HydrophobicContact CB-CG1 4.49Å; N170-V417 HydrophobicContact CB-CG2 3.95Å; N170-V417 WeakPolarHBondContact O-CA 3.31Å; L172-V417 HydrophobicContact CD1-CG1 4.12Å; L172-V417 HydrophobicContact CG-CG1 3.99Å; L205-V417 HydrophobicContact CD2-CG1 3.78Å; L205-V417 HydrophobicContact CD2-CG2 4.15Å; V405-V417 HydrophobicContact CB-CG2 4.2Å; V405-V417 HydrophobicContact CG1-CG2 4.02Å; V405-V417 HydrophobicContact CG2-CG1 4.36Å; Y412-V417 HydrophobicContact CD2-CG2 3.84Å; Y412-V417 HydrophobicContact CE2-CG2 3.65Å; V417-K419 HydrophobicContact CG1-CG 4.15Å
418I96.6Very high94.3Very high74 Ų7475.5 Ų75.538%0.37937%0.368SS..EExtended strand (participates in β ladder)trans-80.1128.1173.4-57.4174.5000108.6N170 E171 L172 W420N170-I418 PolarHBondContact O-N 3.06Å; E171-I418 CarbonylContact C-O 3.41Å; E171-I418 WeakPolarHBondContact CA-O 3.48Å; E171-I418 HydrophobicContact CG-CB 4.27Å; L172-I418 PolarHBondContact N-O 3.08Å; I418-W420 VanDerWaalsContact CG2-NE1 3.34Å
419K95.9Very high94.4Very high71 Ų7176.9 Ų76.931%0.30937%0.37SS..EExtended strand (participates in β ladder)trans-122.9128.8-174.6-60.4165.9-168.5173.50110.5L172 L403 D414 V417L172-K419 HydrophobicContact CB-CG 4.46Å; L172-K419 CarbonylContact O-C 3.55Å; L172-K419 WeakPolarHBondContact O-CA 3.24Å; L403-K419 HydrophobicContact CD2-CD 4.47Å; L403-K419 HydrophobicContact CD2-CG 4.42Å; L403-K419 WeakPolarHBondContact O-CE 3.39Å; L403-K419 PolarHBondContact O-NZ 2.97Å; D414-K419 VanDerWaalsContact CG-NZ 3.33Å; D414-K419 IonicContact OD1-NZ 3.45Å; D414-K419 PolarHBondContact OD1-NZ 2.69Å; V417-K419 HydrophobicContact CG1-CG 4.15Å
420W96.8Very high94.7Very high160 Ų16070.1 Ų70.161%0.60634%0.341SS*.EExtended strand (participates in β ladder)trans-120.2143.7176.1-64.890.9000110.3L172 F173 L174 I418L172-W420 PolarHBondContact O-N 3.1Å; F173-W420 HydrophobicContact CD1-CB 3.6Å; F173-W420 AromaticContact CD1-CD1 3.56Å; F173-W420 AromaticContact CD1-CG 3.72Å; F173-W420 HydrophobicContact CD1-CG 3.72Å; F173-W420 HydrophobicContact CE1-CB 4.16Å; F173-W420 AromaticContact CE1-CD1 3.22Å; F173-W420 AromaticContact CE1-CG 3.74Å; F173-W420 HydrophobicContact CE1-CG 3.74Å; F173-W420 AromaticContact CE1-NE1 3.78Å; F173-W420 HydrophobicContact CG-CB 4.36Å; F173-W420 AromaticContact CZ-CD1 3.9Å; L174-W420 PolarHBondContact N-O 3.05Å; I418-W420 VanDerWaalsContact CG2-NE1 3.34Å
421V96.6Very high95Very high70 Ų7069 Ų6942%0.42433%0.333SS..EExtended strand (participates in β ladder)trans-134.1134.1170.762.70000109.7L174 V176 V400 Y423L174-V421 HydrophobicContact CB-CB 4.39Å; L174-V421 HydrophobicContact CB-CG2 4.2Å; L174-V421 CarbonylContact O-C 3.57Å; L174-V421 VanDerWaalsContact O-CA 3.3Å; L174-V421 WeakPolarHBondContact O-CA 3.43Å; V176-V421 HydrophobicContact CG2-CG2 4.48Å; V400-V421 HydrophobicContact CB-CG2 4.46Å; V400-V421 HydrophobicContact CG2-CG2 3.85Å; V421-Y423 HydrophobicContact CG1-CE2 4.14Å; V421-Y423 HydrophobicContact CG2-CD2 4.38Å; V421-Y423 HydrophobicContact CG2-CE1 4.44Å; V421-Y423 HydrophobicContact CG2-CE2 3.7Å
422R96.2Very high95.2Very high129 Ų12962.4 Ų62.449%0.48730%0.298SS..EExtended strand (participates in β ladder)trans-128.5146.7169.464.9177.4-176.5171.41.2110.7L174 D175 V176L174-R422 PolarHBondContact O-N 3.45Å; D175-R422 HydrophobicContact CB-CG 4.37Å; D175-R422 WeakPolarHBondContact OD1-CD 3.19Å; D175-R422 WeakPolarHBondContact OD1-CG 3.4Å; D175-R422 IonicContact OD1-CZ 2.66Å; D175-R422 IonicContact OD1-NE 3.33Å; D175-R422 PolarHBondContact OD1-NE 3.24Å; D175-R422 IonicContact OD1-NH2 2.71Å; D175-R422 IonicContact OD2-CZ 3.24Å; D175-R422 VanDerWaalsContact OD2-CZ 3.32Å; D175-R422 IonicContact OD2-NE 2.78Å; D175-R422 PolarHBondContact OD2-NE 2.94Å; D175-R422 IonicContact OD2-NH2 2.69Å; D175-R422 PolarHBondContact OD2-NH2 3.46Å; V176-R422 PolarHBondContact N-O 2.95Å
423Y97.6Very high95.2Very high56 Ų5667.7 Ų67.722%0.2232%0.318CS..EExtended strand (participates in β ladder)trans-117.4125.5179.3-59.8-92.5000109V176 P392 F393 A394 L398 V400 V421V176-Y423 HydrophobicContact CB-CD1 3.58Å; V176-Y423 HydrophobicContact CB-CE1 4Å; V176-Y423 HydrophobicContact CB-CG 4.38Å; V176-Y423 HydrophobicContact CG1-CD1 3.86Å; V176-Y423 HydrophobicContact CG1-CE1 4.27Å; V176-Y423 HydrophobicContact CG2-CD1 3.86Å; V176-Y423 HydrophobicContact CG2-CE1 3.73Å; P392-Y423 CarbonylContact C-O 3.53Å; P392-Y423 VanDerWaalsContact C-O 3.32Å; F393-Y423 PolarHBondContact N-O 3.45Å; A394-Y423 HydrophobicContact CB-CD1 3.86Å; L398-Y423 HydrophobicContact CD2-CE1 4.41Å; L398-Y423 VanDerWaalsContact O-CE1 3.28Å; L398-Y423 WeakPolarHBondContact O-CE1 3.02Å; V400-Y423 PolarHBondContact N-OH 3.03Å; V421-Y423 HydrophobicContact CG1-CE2 4.14Å; V421-Y423 HydrophobicContact CG2-CD2 4.38Å; V421-Y423 HydrophobicContact CG2-CE1 4.44Å; V421-Y423 HydrophobicContact CG2-CE2 3.7Å
424I97.6Very high94.7Very high35 Ų3567.3 Ų67.318%0.17932%0.315CS..EExtended strand (participates in β ladder)trans-133.9110.3-178.4-52177000108.6V176 L177 E178 E390V176-I424 PolarHBondContact O-N 3.22Å; L177-I424 WeakPolarHBondContact CA-O 3.28Å; L177-I424 HydrophobicContact CD2-CB 3.8Å; L177-I424 HydrophobicContact CD2-CD1 3.88Å; L177-I424 HydrophobicContact CD2-CG1 4.15Å; E178-I424 PolarHBondContact N-O 3.32Å; E390-I424 HydrophobicContact CG-CG2 3.85Å
425G97.4Very high94.9Very high0 Ų068.2 Ų68.20%032%0.317CS..EExtended strand (participates in β ladder)trans-92.8136.716900000109.9E178 E390 V391 F393E178-G425 CarbonylContact O-C 3.59Å; E178-G425 WeakPolarHBondContact O-CA 3.39Å; E390-G425 CarbonylContact C-O 3.57Å; E390-G425 WeakPolarHBondContact CA-O 3.26Å; V391-G425 WeakPolarHBondContact CG2-O 3.23Å; V391-G425 PolarHBondContact N-O 2.7Å; V391-G425 PolarHBondContact O-N 3.14Å; F393-G425 WeakPolarHBondContact O-CA 3.36Å; F393-G425 PolarHBondContact O-N 2.83Å
426R97.4Very high95.2Very high113 Ų11362.5 Ų62.543%0.42629%0.291SS..EExtended strand (participates in β ladder)trans-133.6160.1174.157.5178.8178-173.83.1110.3E178 S179 V180 F389E178-R426 VanDerWaalsContact O-CG 3.3Å; E178-R426 WeakPolarHBondContact O-CG 3.19Å; E178-R426 PolarHBondContact O-N 3.15Å; S179-R426 CarbonylContact C-O 3.58Å; S179-R426 WeakPolarHBondContact CA-O 3.37Å; V180-R426 PolarHBondContact N-O 2.9Å; F389-R426 WeakPolarHBondContact O-CA 3.47Å
427S95.8Very high95.3Very high16 Ų1661.2 Ų61.211%0.11228%0.282CS..EExtended strand (participates in β ladder)trans-62.4137.9164.953.50000110.4M387 N388 F389M387-S427 VanDerWaalsContact O-CB 3.28Å; M387-S427 WeakPolarHBondContact O-CB 3.23Å; N388-S427 VanDerWaalsContact CA-OG 3.23Å; N388-S427 WeakPolarHBondContact CA-OG 3.4Å; N388-S427 PolarHBondContact OD1-OG 3.4Å; N388-S427 VanDerWaalsContact OD1-OG 3.09Å; F389-S427 PolarHBondContact N-OG 2.82Å; F389-S427 PolarHBondContact O-N 2.83Å
428G94.1Very high95.3Very high26 Ų2664.2 Ų64.227%0.26829%0.294SS..EExtended strand (participates in β ladder)trans-96.7-118.5155.600000108.6S179 V180 N181 Y430S179-G428 WeakPolarHBondContact OG-CA 3.43Å; S179-G428 PolarHBondContact OG-N 2.59Å; V180-G428 PolarHBondContact O-N 2.85Å; N181-G428 WeakPolarHBondContact OD1-CA 3.28Å; G428-Y430 PolarHBondContact O-N 3.03Å
429I93.9Very high95.2Very high110 Ų11063.6 Ų63.656%0.56429%0.289SS*.EExtended strand (participates in β ladder)trans-82.597.7166.8-57.3172.2000107.4N181 L182 E431N181-I429 CarbonylContact C-O 3.56Å; N181-I429 VanDerWaalsContact CA-O 3.24Å; N181-I429 WeakPolarHBondContact CA-O 3.39Å; N181-I429 PolarHBondContact OD1-N 2.79Å; L182-I429 PolarHBondContact N-O 2.92Å; L182-I429 VanDerWaalsContact O-O 3.06Å; I429-E431 HydrophobicContact CG2-CG 4Å
430Y96.8Very high95.2Very high5 Ų563.1 Ų63.12%0.0229%0.288CS..EExtended strand (participates in β ladder)trans-117.493-176.9-160.6-79.3000110.3V180 L182 F286 V288 S386 M387 F389 G428V180-Y430 HydrophobicContact CB-CD2 4.33Å; V180-Y430 HydrophobicContact CG1-CD2 4.13Å; V180-Y430 HydrophobicContact CG1-CE2 3.99Å; L182-Y430 HydrophobicContact CB-CD2 3.59Å; L182-Y430 HydrophobicContact CB-CE2 3.65Å; L182-Y430 HydrophobicContact CB-CG 4.09Å; L182-Y430 HydrophobicContact CD2-CD1 4.28Å; L182-Y430 HydrophobicContact CD2-CD2 4.24Å; L182-Y430 HydrophobicContact CD2-CE1 3.66Å; L182-Y430 HydrophobicContact CD2-CE2 3.6Å; L182-Y430 WeakPolarHBondContact CD2-OH 3.33Å; L182-Y430 HydrophobicContact CG-CE2 4.25Å; F286-Y430 PolarHBondContact O-OH 2.81Å; V288-Y430 HydrophobicContact CG2-CE1 4.48Å; S386-Y430 VanDerWaalsContact CA-O 3.32Å; S386-Y430 WeakPolarHBondContact CA-O 3.22Å; M387-Y430 HydrophobicContact CB-CD1 3.93Å; M387-Y430 PolarHBondContact N-O 3.17Å; M387-Y430 WeakPolarHBondContact O-CB 3.12Å; F389-Y430 HydrophobicContact CE1-CD1 4.15Å; F389-Y430 AromaticContact CE1-CD2 3.72Å; F389-Y430 HydrophobicContact CE1-CD2 3.72Å; F389-Y430 HydrophobicContact CE1-CE1 4.25Å; F389-Y430 AromaticContact CE1-CE2 3.86Å; F389-Y430 HydrophobicContact CE1-CE2 3.86Å; F389-Y430 AromaticContact CE1-CG 3.86Å; F389-Y430 HydrophobicContact CE1-CG 3.86Å; F389-Y430 AromaticContact CZ-CD2 3.93Å; F389-Y430 HydrophobicContact CZ-CD2 3.93Å; F389-Y430 AromaticContact CZ-CE2 3.93Å; F389-Y430 HydrophobicContact CZ-CE2 3.93Å; G428-Y430 PolarHBondContact O-N 3.03Å
431E96.6Very high95Very high63 Ų6356.1 Ų56.129%0.29427%0.265SS..EExtended strand (participates in β ladder)trans-129.1141.5-164-72.4-173.9172.200112.5L182 L183 M184 P384 I385 I429L182-E431 PolarHBondContact O-N 3.12Å; L183-E431 CarbonylContact C-O 3.52Å; L183-E431 WeakPolarHBondContact CA-O 3.23Å; L183-E431 HydrophobicContact CD1-CB 4.3Å; M184-E431 PolarHBondContact N-O 2.62Å; P384-E431 HydrophobicContact CB-CB 4.01Å; P384-E431 HydrophobicContact CB-CG 4.44Å; P384-E431 HydrophobicContact CG-CB 4.28Å; P384-E431 HydrophobicContact CG-CG 4.31Å; P384-E431 WeakPolarHBondContact CG-OE2 3.31Å; I385-E431 CarbonylContact O-C 3.58Å; I385-E431 WeakPolarHBondContact O-CA 3.48Å; I429-E431 HydrophobicContact CG2-CG 4Å
432T95.3Very high94.9Very high1 Ų155.1 Ų55.11%0.00625%0.253CS..EExtended strand (participates in β ladder)trans-127.5122.4174-55.90000109.1M184 P290 P384 I385M184-T432 HydrophobicContact CB-CG2 4.09Å; M184-T432 HydrophobicContact CE-CG2 3.56Å; M184-T432 WeakPolarHBondContact CE-OG1 3.43Å; M184-T432 HydrophobicContact CG-CG2 4.45Å; P290-T432 HydrophobicContact CG-CG2 3.87Å; P384-T432 CarbonylContact C-O 3.48Å; P384-T432 WeakPolarHBondContact CA-O 3.47Å; P384-T432 WeakPolarHBondContact CB-O 3.16Å; I385-T432 PolarHBondContact N-O 2.87Å; I385-T432 PolarHBondContact O-N 3.08Å
433R92.3Very high94.8Very high129 Ų12948.9 Ų48.949%0.48723%0.233SC..  trans-67151.6176.3-66.3-179.6177.1176.1-1.1110.4L183 M184 P186L183-R433 HydrophobicContact CD1-CG 4.15Å; M184-R433 PolarHBondContact O-N 3.31Å; P186-R433 VanDerWaalsContact CA-O 3.23Å; P186-R433 WeakPolarHBondContact CA-O 3.4Å; P186-R433 HydrophobicContact CG-CB 3.93Å
434C83Confident94.6Very high33 Ų3348.3 Ų48.322%0.22324%0.235CC..  trans-138.50-17854.50000112.9P290 V292 R382 P383P290-C434 HydrophobicContact CB-CB 3.92Å; P290-C434 HydrophobicContact CG-CB 4.08Å; V292-C434 HydrophobicContact CG2-CB 4.02Å; R382-C434 WeakPolarHBondContact CB-O 3.43Å; R382-C434 VanDerWaalsContact CD-C 3.5Å; R382-C434 VanDerWaalsContact CD-O 3.28Å; R382-C434 WeakPolarHBondContact CD-O 3.22Å; R382-C434 VanDerWaalsContact CD-OXT 3.28Å; R382-C434 WeakPolarHBondContact CD-OXT 3.5Å; R382-C434 PolarHBondContact NH1-OXT 2.8Å; P383-C434 PolarHBondContact O-SG 2.83Å

Retrieved 434 of 434 residues in 124.4 ms (Link to these results)