A0A5N4EL63_CAMDR Loading...

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 A0A5N4EL63, Species CAMDR (Camelus dromedarius, Dromedary), Gene n/a, Length 433 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
1M91.9Very high94.9Very high39 Ų3923.5 Ų23.519%0.19211%0.107CC..  01710-66.6-40.6-84.300111G3 T69 V73 M77 G119 Y120 P121M1-G3 PolarHBondContact O-N 2.88Å; M1-T69 PolarHBondContact O-OG1 3.49Å; M1-V73 VanDerWaalsContact N-CG1 3.27Å; M1-M77 HydrophobicContact CE-CE 3.56Å; M1-M77 HydrophobicContact CE-SD 3.95Å; M1-M77 HydrophobicContact SD-CE 4.06Å; M1-G119 WeakPolarHBondContact CB-O 3.45Å; M1-G119 WeakPolarHBondContact CE-O 3.21Å; M1-Y120 HydrophobicContact CB-CE1 4.49Å; M1-Y120 HydrophobicContact CB-CE2 4.49Å; M1-Y120 HydrophobicContact CE-CD1 3.75Å; M1-Y120 HydrophobicContact CE-CE1 4.35Å; M1-Y120 HydrophobicContact CE-CG 4.25Å; M1-Y120 HydrophobicContact CG-CD1 3.59Å; M1-Y120 HydrophobicContact CG-CD2 4.32Å; M1-Y120 HydrophobicContact CG-CE1 3.34Å; M1-Y120 HydrophobicContact CG-CE2 4.09Å; M1-Y120 HydrophobicContact CG-CG 4.06Å; M1-Y120 HydrophobicContact SD-CD1 4.22Å; M1-Y120 HydrophobicContact SD-CE1 4.22Å; M1-P121 VanDerWaalsContact CE-CD 3.48Å
2I95.8Very high94.7Very high1 Ų121.7 Ų21.71%0.00510%0.1CC..  trans-66.4129.6-174.7-61.7172.2000108.9A67 V78 F81 L116 G119I2-A67 HydrophobicContact CG2-CB 4.15Å; I2-V78 HydrophobicContact CD1-CG1 4.15Å; I2-V78 HydrophobicContact CD1-CG2 4.22Å; I2-V78 HydrophobicContact CG1-CG1 4.48Å; I2-V78 HydrophobicContact CG1-CG2 4.06Å; I2-F81 HydrophobicContact CD1-CD1 3.83Å; I2-F81 HydrophobicContact CD1-CE1 4.26Å; I2-F81 HydrophobicContact CD1-CG 4.49Å; I2-L116 HydrophobicContact CB-CD2 4.37Å; I2-L116 HydrophobicContact CD1-CD1 4.26Å; I2-L116 HydrophobicContact CD1-CD2 4.33Å; I2-L116 HydrophobicContact CG2-CD2 4.23Å; I2-G119 PolarHBondContact N-O 3.15Å; I2-G119 WeakPolarHBondContact O-CA 3.35Å
3G95.1Very high94.6Very high0 Ų027.5 Ų27.50%013%0.127CC..  trans-95.5-29.8-177.400000113.7M1 Y20 R21 I24 V68M1-G3 PolarHBondContact O-N 2.88Å; G3-Y20 PolarHBondContact O-N 2.98Å; G3-R21 PolarHBondContact O-N 3.11Å; G3-I24 VanDerWaalsContact C-CG1 3.46Å; G3-V68 WeakPolarHBondContact CA-O 3.39Å; G3-V68 PolarHBondContact N-O 3.4Å
4G96.2Very high94.7Very high0 Ų029.7 Ų29.70%014%0.143CC..EExtended strand (participates in β ladder)trans-158.8153175.300000111.8R18 A67 V68G4-R18 CarbonylContact C-O 3.6Å; G4-R18 WeakPolarHBondContact CA-O 3.43Å; G4-A67 CarbonylContact O-C 3.6Å; G4-A67 WeakPolarHBondContact O-CA 3.5Å; G4-V68 PolarHBondContact N-O 2.94Å; G4-V68 PolarHBondContact O-N 3.24Å
5L96.8Very high94.7Very high0 Ų028.9 Ų28.90%014%0.14CC..EExtended strand (participates in β ladder)trans-131.6127.8178.9-168.2138.1000109.8I7 R18 Y20 A66 F81 L82 M85 L112L5-I7 HydrophobicContact CD2-CG1 4.41Å; L5-R18 PolarHBondContact N-O 3.1Å; L5-R18 PolarHBondContact O-N 3.29Å; L5-Y20 HydrophobicContact CB-CE2 3.98Å; L5-A66 WeakPolarHBondContact CA-O 3.21Å; L5-F81 HydrophobicContact CD1-CD1 4.47Å; L5-F81 HydrophobicContact CD1-CE1 3.59Å; L5-F81 HydrophobicContact CD1-CZ 4.43Å; L5-L82 HydrophobicContact CD1-CD2 3.95Å; L5-M85 HydrophobicContact CD1-SD 3.81Å; L5-M85 HydrophobicContact CD2-CE 3.65Å; L5-M85 HydrophobicContact CD2-SD 3.75Å; L5-M85 HydrophobicContact CG-SD 4.41Å; L5-L112 HydrophobicContact CD2-CD1 4.23Å; L5-L112 HydrophobicContact CD2-CD2 3.98Å
6F96.5Very high94.8Very high2 Ų227.1 Ų27.11%0.00913%0.131CC..EExtended strand (participates in β ladder)trans-132.1139.2-173.3-52-78.4000109.6Y8 I16 S17 V19 I24 V29 A66 V68F6-Y8 HydrophobicContact CB-CD2 4.22Å; F6-Y8 HydrophobicContact CB-CE2 3.34Å; F6-Y8 WeakPolarHBondContact CB-OH 3.03Å; F6-Y8 HydrophobicContact CG-CE2 4.35Å; F6-I16 VanDerWaalsContact CA-O 3.31Å; F6-I16 WeakPolarHBondContact CA-O 3.31Å; F6-S17 WeakPolarHBondContact CE1-OG 3.27Å; F6-V19 HydrophobicContact CE1-CG2 4.18Å; F6-V19 HydrophobicContact CZ-CG2 4.13Å; F6-I24 HydrophobicContact CE2-CG2 4.11Å; F6-I24 HydrophobicContact CZ-CG2 3.86Å; F6-V29 HydrophobicContact CD1-CG2 3.7Å; F6-V29 HydrophobicContact CE1-CG2 3.34Å; F6-V29 HydrophobicContact CE2-CG2 4.29Å; F6-V29 HydrophobicContact CG-CG2 4.33Å; F6-V29 HydrophobicContact CZ-CG2 3.67Å; F6-A66 PolarHBondContact N-O 3.23Å; F6-A66 PolarHBondContact O-N 3.37Å; F6-V68 HydrophobicContact CD2-CG2 3.61Å; F6-V68 HydrophobicContact CE2-CB 4.01Å; F6-V68 HydrophobicContact CE2-CG2 3.53Å
7I97.1Very high94.9Very high1 Ų128.6 Ų28.61%0.00515%0.145CC..EExtended strand (participates in β ladder)trans-115.2125.9172.4-52.3-179.2000107.8L5 L15 I16 I63 W64 L65 M85 M89 I101L5-I7 HydrophobicContact CD2-CG1 4.41Å; I7-L15 WeakPolarHBondContact O-CA 3.47Å; I7-L15 PolarHBondContact O-N 3.1Å; I7-I16 HydrophobicContact CB-CB 3.93Å; I7-I16 HydrophobicContact CB-CG1 4.32Å; I7-I16 HydrophobicContact CD1-CB 3.96Å; I7-I16 HydrophobicContact CD1-CG1 3.83Å; I7-I16 HydrophobicContact CD1-CG2 4.49Å; I7-I16 HydrophobicContact CG1-CB 3.88Å; I7-I16 HydrophobicContact CG1-CG1 4.28Å; I7-I16 HydrophobicContact CG1-CG2 4.46Å; I7-I16 PolarHBondContact N-O 2.74Å; I7-I16 PolarHBondContact O-N 3.33Å; I7-I63 HydrophobicContact CG2-CG2 3.32Å; I7-W64 CarbonylContact C-O 3.6Å; I7-W64 VanDerWaalsContact CA-O 3.29Å; I7-W64 WeakPolarHBondContact CA-O 3.49Å; I7-L65 HydrophobicContact CG1-CG 4.4Å; I7-M85 HydrophobicContact CD1-CE 3.49Å; I7-M85 VanDerWaalsContact CD1-CE 3.49Å; I7-M85 HydrophobicContact CG1-CE 4.1Å; I7-M89 HydrophobicContact CD1-CE 3.89Å; I7-M89 HydrophobicContact CD1-SD 4.49Å; I7-I101 HydrophobicContact CG2-CD1 3.81Å
8Y95.9Very high94.9Very high0 Ų031.6 Ų31.60%015%0.154CC..EExtended strand (participates in β ladder)trans-117.1151.2-179.5-51.7-101.7000111.5F6 G12 E13 V14 V29 F32 I37 I63 W64 A66F6-Y8 HydrophobicContact CB-CD2 4.22Å; F6-Y8 HydrophobicContact CB-CE2 3.34Å; F6-Y8 WeakPolarHBondContact CB-OH 3.03Å; F6-Y8 HydrophobicContact CG-CE2 4.35Å; Y8-G12 WeakPolarHBondContact CD1-O 3.41Å; Y8-E13 CarbonylContact C-O 3.5Å; Y8-E13 WeakPolarHBondContact CA-O 3.11Å; Y8-V14 HydrophobicContact CD1-CG2 3.86Å; Y8-V14 HydrophobicContact CE1-CG2 3.55Å; Y8-V29 HydrophobicContact CE1-CG1 3.83Å; Y8-V29 WeakPolarHBondContact OH-CA 3.49Å; Y8-F32 AromaticContact CD2-CD1 3.8Å; Y8-F32 HydrophobicContact CD2-CD1 3.8Å; Y8-F32 AromaticContact CD2-CE1 3.78Å; Y8-F32 HydrophobicContact CD2-CE1 3.78Å; Y8-F32 HydrophobicContact CE1-CD1 4.32Å; Y8-F32 AromaticContact CE2-CD1 3.36Å; Y8-F32 HydrophobicContact CE2-CD1 3.36Å; Y8-F32 AromaticContact CE2-CE1 3.74Å; Y8-F32 HydrophobicContact CE2-CE1 3.74Å; Y8-F32 HydrophobicContact CE2-CG 4.3Å; Y8-F32 HydrophobicContact CG-CD1 4.45Å; Y8-F32 AromaticContact CZ-CD1 3.69Å; Y8-I37 HydrophobicContact CD1-CD1 4.03Å; Y8-I37 HydrophobicContact CD2-CD1 4.29Å; Y8-I37 HydrophobicContact CG-CD1 3.77Å; Y8-I63 WeakPolarHBondContact O-CA 3.34Å; Y8-W64 HydrophobicContact CD2-CB 4.48Å; Y8-W64 PolarHBondContact N-O 2.86Å; Y8-W64 PolarHBondContact O-N 3.12Å; Y8-A66 HydrophobicContact CD2-CB 4.49Å; Y8-A66 HydrophobicContact CE2-CB 3.9Å
9N95.1Very high95Very high1 Ų133.3 Ų33.31%0.00517%0.167CC..  trans-81.5-178.2165.271.910.7000111.6K11 G12 E13 L15 N62 E98N9-K11 PolarHBondContact O-N 3.16Å; N9-K11 WeakPolarHBondContact OD1-CA 3.44Å; N9-K11 WeakPolarHBondContact OD1-CB 3.15Å; N9-K11 PolarHBondContact OD1-N 3.24Å; N9-G12 PolarHBondContact O-N 3.09Å; N9-G12 PolarHBondContact OD1-N 2.83Å; N9-G12 VanDerWaalsContact OD1-N 3.09Å; N9-E13 PolarHBondContact N-O 2.63Å; N9-E13 PolarHBondContact ND2-OE2 3Å; N9-E13 PolarHBondContact OD1-N 2.84Å; N9-L15 HydrophobicContact CB-CD1 4.22Å; N9-L15 HydrophobicContact CB-CD2 4.38Å; N9-L15 HydrophobicContact CB-CG 4.33Å; N9-N62 CarbonylContact C-O 3.56Å; N9-E98 WeakPolarHBondContact CB-OE2 3.09Å
10H91.3Very high95Very high101 Ų10132.6 Ų32.647%0.46816%0.162SC..THydrogen-bonded Turntrans-67.3-18.5-178.97386.1000114G12 N62H10-G12 VanDerWaalsContact C-N 3.33Å; H10-N62 HydrophobicContact CB-CB 4.24Å; H10-N62 PolarHBondContact N-O 3.24Å; H10-N62 VanDerWaalsContact N-O 3.11Å
11K92.6Very high95Very high113 Ų11332.2 Ų32.249%0.49116%0.159SC..THydrogen-bonded Turntrans-85.2-11.4175.2-57-179.6-176.7172.40112N9 E13 H38N9-K11 PolarHBondContact O-N 3.16Å; N9-K11 WeakPolarHBondContact OD1-CA 3.44Å; N9-K11 WeakPolarHBondContact OD1-CB 3.15Å; N9-K11 PolarHBondContact OD1-N 3.24Å; K11-E13 HydrophobicContact CB-CG 4.36Å; K11-H38 PolarHBondContact O-CE1 3Å; K11-H38 PolarHBondContact O-NE2 3.3Å
12G91.8Very high95Very high2 Ų238.2 Ų38.22%0.02119%0.192CC..  trans82.717-174.300000114Y8 N9 H10 R33 I37Y8-G12 WeakPolarHBondContact CD1-O 3.41Å; N9-G12 PolarHBondContact O-N 3.09Å; N9-G12 PolarHBondContact OD1-N 2.83Å; N9-G12 VanDerWaalsContact OD1-N 3.09Å; H10-G12 VanDerWaalsContact C-N 3.33Å; G12-R33 WeakPolarHBondContact O-CD 3.33Å; G12-I37 VanDerWaalsContact CA-CD1 3.49Å
13E93.9Very high94.7Very high97 Ų9741 Ų4145%0.45321%0.207SC..  trans-76.3139.8168.2-62.3163.3173.700109.2Y8 N9 K11 L15Y8-E13 CarbonylContact C-O 3.5Å; Y8-E13 WeakPolarHBondContact CA-O 3.11Å; N9-E13 PolarHBondContact N-O 2.63Å; N9-E13 PolarHBondContact ND2-OE2 3Å; N9-E13 PolarHBondContact OD1-N 2.84Å; K11-E13 HydrophobicContact CB-CG 4.36Å; E13-L15 PolarHBondContact O-N 2.91Å
14V95.1Very high94.6Very high59 Ų5941.4 Ų41.436%0.35821%0.208SC..EExtended strand (participates in β ladder)trans-77.8118.4179.7-174.30000109.1Y8 I16 V29Y8-V14 HydrophobicContact CD1-CG2 3.86Å; Y8-V14 HydrophobicContact CE1-CG2 3.55Å; V14-I16 WeakPolarHBondContact CG1-O 3.4Å; V14-V29 HydrophobicContact CG2-CG1 3.24Å
15L95.8Very high94Very high17 Ų1743.2 Ų43.29%0.08923%0.228CC..EExtended strand (participates in β ladder)trans-81.9-55.7168.4-57.6179.1000109.3I7 N9 E13 I63 E98 I101 F105I7-L15 WeakPolarHBondContact O-CA 3.47Å; I7-L15 PolarHBondContact O-N 3.1Å; N9-L15 HydrophobicContact CB-CD1 4.22Å; N9-L15 HydrophobicContact CB-CD2 4.38Å; N9-L15 HydrophobicContact CB-CG 4.33Å; E13-L15 PolarHBondContact O-N 2.91Å; L15-I63 HydrophobicContact CD1-CD1 3.66Å; L15-E98 HydrophobicContact CD1-CB 4.23Å; L15-E98 HydrophobicContact CD1-CG 3.99Å; L15-E98 HydrophobicContact CD2-CG 3.85Å; L15-I101 HydrophobicContact CB-CG2 3.9Å; L15-I101 HydrophobicContact CD1-CB 4.45Å; L15-I101 HydrophobicContact CD1-CD1 3.91Å; L15-I101 HydrophobicContact CD1-CG2 4.33Å; L15-F105 WeakPolarHBondContact O-CE1 3.3Å; L15-F105 WeakPolarHBondContact O-CZ 3.27Å
16I96.5Very high93.3Very high0 Ų053.5 Ų53.50%027%0.266CS..EExtended strand (participates in β ladder)trans-118.2137.1178.5-64.7-79.2000109.5F6 I7 V14 I101 F105 I108 Y109 L112F6-I16 VanDerWaalsContact CA-O 3.31Å; F6-I16 WeakPolarHBondContact CA-O 3.31Å; I7-I16 HydrophobicContact CB-CB 3.93Å; I7-I16 HydrophobicContact CB-CG1 4.32Å; I7-I16 HydrophobicContact CD1-CB 3.96Å; I7-I16 HydrophobicContact CD1-CG1 3.83Å; I7-I16 HydrophobicContact CD1-CG2 4.49Å; I7-I16 HydrophobicContact CG1-CB 3.88Å; I7-I16 HydrophobicContact CG1-CG1 4.28Å; I7-I16 HydrophobicContact CG1-CG2 4.46Å; I7-I16 PolarHBondContact N-O 2.74Å; I7-I16 PolarHBondContact O-N 3.33Å; V14-I16 WeakPolarHBondContact CG1-O 3.4Å; I16-I101 HydrophobicContact CD1-CG2 4.4Å; I16-I101 HydrophobicContact CG1-CG2 3.87Å; I16-F105 HydrophobicContact CD1-CD1 3.24Å; I16-F105 HydrophobicContact CD1-CE1 3.31Å; I16-F105 HydrophobicContact CG1-CD1 4.25Å; I16-F105 HydrophobicContact CG1-CE1 3.84Å; I16-I108 HydrophobicContact CD1-CB 4.1Å; I16-I108 HydrophobicContact CD1-CG2 3.58Å; I16-I108 HydrophobicContact CG1-CG2 3.97Å; I16-Y109 HydrophobicContact CD1-CE2 4.04Å; I16-Y109 HydrophobicContact CG2-CE1 4.2Å; I16-L112 HydrophobicContact CG2-CD1 3.74Å
17S95.2Very high92.8Very high53 Ų5359.8 Ų59.837%0.37130%0.3SS..EExtended strand (participates in β ladder)trans-128.8110.4169.41750000109.6F6F6-S17 WeakPolarHBondContact CE1-OG 3.27Å
18R96Very high92.2Very high82 Ų8260.3 Ų60.331%0.30931%0.305SS..EExtended strand (participates in β ladder)trans-125.8119.5173.5-16563.1178.8178.97.4110.8G4 L5 Y20 L112 D113G4-R18 CarbonylContact C-O 3.6Å; G4-R18 WeakPolarHBondContact CA-O 3.43Å; L5-R18 PolarHBondContact N-O 3.1Å; L5-R18 PolarHBondContact O-N 3.29Å; R18-Y20 HydrophobicContact CB-CE2 4.3Å; R18-Y20 HydrophobicContact CG-CE1 3.93Å; R18-Y20 HydrophobicContact CG-CE2 4Å; R18-Y20 WeakPolarHBondContact CG-OH 3.33Å; R18-L112 HydrophobicContact CB-CD1 3.98Å; R18-L112 HydrophobicContact CG-CB 4.5Å; R18-L112 HydrophobicContact CG-CD1 4.43Å; R18-D113 VanDerWaalsContact CZ-CG 3.5Å; R18-D113 IonicContact CZ-OD1 3.7Å; R18-D113 IonicContact CZ-OD2 3.42Å; R18-D113 VanDerWaalsContact CZ-OD2 3.22Å; R18-D113 IonicContact NE-OD1 2.93Å; R18-D113 PolarHBondContact NE-OD1 3.46Å; R18-D113 IonicContact NE-OD2 3.22Å; R18-D113 IonicContact NH1-OD2 3.76Å; R18-D113 IonicContact NH2-OD1 2.67Å; R18-D113 PolarHBondContact NH2-OD1 3.14Å; R18-D113 IonicContact NH2-OD2 2.69Å; R18-D113 PolarHBondContact NH2-OD2 3.06Å
19V96.1Very high91.7Very high64 Ų6461.4 Ų61.439%0.38831%0.311SS..EExtended strand (participates in β ladder)trans-108.6135.8-178.3177.90000108.8F6 R21 I24F6-V19 HydrophobicContact CE1-CG2 4.18Å; F6-V19 HydrophobicContact CZ-CG2 4.13Å; V19-R21 WeakPolarHBondContact CG1-O 3.48Å; V19-I24 HydrophobicContact CG1-CB 4.24Å
20Y95.8Very high91.4Very high20 Ų2064.8 Ų64.88%0.07833%0.329CS..  trans-118.9-7.9-177.7-57.7-79.5000113.3G3 L5 R18 L112 L116 F118G3-Y20 PolarHBondContact O-N 2.98Å; L5-Y20 HydrophobicContact CB-CE2 3.98Å; R18-Y20 HydrophobicContact CB-CE2 4.3Å; R18-Y20 HydrophobicContact CG-CE1 3.93Å; R18-Y20 HydrophobicContact CG-CE2 4Å; R18-Y20 WeakPolarHBondContact CG-OH 3.33Å; Y20-L112 WeakPolarHBondContact OH-CB 3.48Å; Y20-L112 PolarHBondContact OH-O 2.99Å; Y20-L116 WeakPolarHBondContact CD1-O 3.42Å; Y20-L116 HydrophobicContact CD2-CD2 3.75Å; Y20-L116 HydrophobicContact CD2-CG 4.43Å; Y20-L116 HydrophobicContact CE1-CB 4.2Å; Y20-L116 HydrophobicContact CE1-CD2 4.24Å; Y20-L116 HydrophobicContact CE1-CG 4.19Å; Y20-L116 WeakPolarHBondContact CE1-O 3.41Å; Y20-L116 HydrophobicContact CE2-CD2 3.27Å; Y20-L116 HydrophobicContact CE2-CG 4.09Å; Y20-L116 HydrophobicContact CG-CD2 4.41Å; Y20-F118 WeakPolarHBondContact O-CD2 3.43Å; Y20-F118 WeakPolarHBondContact O-CE2 3.37Å
21R94.1Very high91.3Very high25 Ų2561.1 Ų61.19%0.09432%0.316CS..SBendtrans-138.4140.2175.4-71.6-78.4-177.2-72.50.3109.8G3 V19 D23 I24 F118G3-R21 PolarHBondContact O-N 3.11Å; V19-R21 WeakPolarHBondContact CG1-O 3.48Å; R21-D23 WeakPolarHBondContact CB-OD1 3.08Å; R21-D23 PolarHBondContact O-N 2.89Å; R21-D23 VanDerWaalsContact O-N 3.16Å; R21-I24 PolarHBondContact O-N 2.69Å; R21-F118 PolarHBondContact NH1-O 3.32Å; R21-F118 VanDerWaalsContact NH2-CE1 3.25Å; R21-F118 PolarHBondContact NH2-O 3.31Å
22D92.1Very high91.2Very high165 Ų16555.7 Ų55.788%0.88229%0.293SS*.THydrogen-bonded Turntrans-66.7-17.3-179.8-54.7-31.3000113.2I24D22-I24 PolarHBondContact O-N 2.67Å
23D90.4Very high91.2Very high59 Ų5960.2 Ų60.232%0.31631%0.309SS..THydrogen-bonded Turntrans-75.9-7.1179.374.7-25.5000113.7R21 K70R21-D23 WeakPolarHBondContact CB-OD1 3.08Å; R21-D23 PolarHBondContact O-N 2.89Å; R21-D23 VanDerWaalsContact O-N 3.16Å; D23-K70 HydrophobicContact CB-CD 4.35Å; D23-K70 VanDerWaalsContact O-CE 3.31Å; D23-K70 WeakPolarHBondContact O-CE 3.49Å; D23-K70 PolarHBondContact O-NZ 2.95Å
24I92.3Very high91Very high8 Ų859.5 Ų59.54%0.04131%0.311CS..  trans-101.699.4175.6-54.8-50.4000110.2G3 F6 V19 R21 D22 A28 V68 K70G3-I24 VanDerWaalsContact C-CG1 3.46Å; F6-I24 HydrophobicContact CE2-CG2 4.11Å; F6-I24 HydrophobicContact CZ-CG2 3.86Å; V19-I24 HydrophobicContact CG1-CB 4.24Å; R21-I24 PolarHBondContact O-N 2.69Å; D22-I24 PolarHBondContact O-N 2.67Å; I24-A28 HydrophobicContact CG2-CB 3.99Å; I24-V68 HydrophobicContact CD1-CG1 4Å; I24-V68 HydrophobicContact CG2-CG1 4.36Å; I24-K70 HydrophobicContact CD1-CD 4.48Å; I24-K70 HydrophobicContact CD1-CG 4.19Å
25G84.7Confident90.7Very high39 Ų3960.9 Ų60.940%0.40232%0.317SS..  trans-89.2175.4174.400000113.9N27 A28G25-N27 PolarHBondContact O-N 3.04Å; G25-N27 VanDerWaalsContact O-N 3.11Å; G25-A28 WeakPolarHBondContact O-CB 2.95Å; G25-A28 PolarHBondContact O-N 2.82Å
26R81.5Confident90.4Very high216 Ų21660.2 Ų60.282%0.81531%0.313SS*.Hα-helixtrans-54.7-30.1175.5-64.9179.8-175.5173.81.1112.8A28 V29 D30R26-A28 PolarHBondContact O-N 2.78Å; R26-A28 VanDerWaalsContact O-N 3.14Å; R26-V29 VanDerWaalsContact O-CB 3.27Å; R26-V29 WeakPolarHBondContact O-CB 3.44Å; R26-V29 PolarHBondContact O-N 3.23Å; R26-D30 PolarHBondContact O-N 2.78Å
27N86.1Confident90.1Very high134 Ų13461.4 Ų61.472%0.71732%0.319SS*.Hα-helixtrans-56.5-33178.9-4113.2000112G25 A31G25-N27 PolarHBondContact O-N 3.04Å; G25-N27 VanDerWaalsContact O-N 3.11Å; N27-A31 VanDerWaalsContact O-CB 3.3Å; N27-A31 WeakPolarHBondContact O-CB 3.35Å; N27-A31 PolarHBondContact O-N 3.05Å
28A84.7Confident89.8Confident12 Ų1264 Ų6410%0.09933%0.325CS..Hα-helixtrans-68.6-36.4178.600000112I24 G25 R26 A31 F32 F55 V68I24-A28 HydrophobicContact CG2-CB 3.99Å; G25-A28 WeakPolarHBondContact O-CB 2.95Å; G25-A28 PolarHBondContact O-N 2.82Å; R26-A28 PolarHBondContact O-N 2.78Å; R26-A28 VanDerWaalsContact O-N 3.14Å; A28-A31 PolarHBondContact O-N 3.45Å; A28-F32 PolarHBondContact O-N 2.81Å; A28-F32 VanDerWaalsContact O-N 3.1Å; A28-F55 HydrophobicContact CB-CE1 4.32Å; A28-F55 HydrophobicContact CB-CZ 4.23Å; A28-F55 VanDerWaalsContact O-CE1 3.27Å; A28-F55 WeakPolarHBondContact O-CE1 3.47Å; A28-V68 HydrophobicContact CB-CG1 4.19Å
29V84Confident89.3Confident22 Ų2262 Ų6213%0.13333%0.326CS..Hα-helixtrans-63-48.2177.2179.50000110.4F6 Y8 V14 R26 F32 R33F6-V29 HydrophobicContact CD1-CG2 3.7Å; F6-V29 HydrophobicContact CE1-CG2 3.34Å; F6-V29 HydrophobicContact CE2-CG2 4.29Å; F6-V29 HydrophobicContact CG-CG2 4.33Å; F6-V29 HydrophobicContact CZ-CG2 3.67Å; Y8-V29 HydrophobicContact CE1-CG1 3.83Å; Y8-V29 WeakPolarHBondContact OH-CA 3.49Å; V14-V29 HydrophobicContact CG2-CG1 3.24Å; R26-V29 VanDerWaalsContact O-CB 3.27Å; R26-V29 WeakPolarHBondContact O-CB 3.44Å; R26-V29 PolarHBondContact O-N 3.23Å; V29-F32 PolarHBondContact O-N 2.8Å; V29-R33 PolarHBondContact O-N 3.34Å
30D88.7Confident88.4Confident72 Ų7271.2 Ų71.239%0.38535%0.354SS..Hα-helixtrans-66.2-40.8178.5-72.1-40.9000112.2R26 F32 R33 V34R26-D30 PolarHBondContact O-N 2.78Å; D30-F32 VanDerWaalsContact C-N 3.32Å; D30-F32 PolarHBondContact O-N 2.97Å; D30-R33 PolarHBondContact O-N 3.29Å; D30-R33 IonicContact OD1-CZ 3.78Å; D30-R33 IonicContact OD1-NE 3.7Å; D30-R33 IonicContact OD1-NH2 2.68Å; D30-R33 PolarHBondContact OD1-NH2 3.21Å; D30-V34 WeakPolarHBondContact O-CG2 3.47Å; D30-V34 PolarHBondContact O-N 3.27Å
31A90Very high87.5Confident24 Ų2476.1 Ų76.120%0.19838%0.378CS..Hα-helixtrans-59.1-42.7177.400000111.8N27 A28 N35 I50 F55N27-A31 VanDerWaalsContact O-CB 3.3Å; N27-A31 WeakPolarHBondContact O-CB 3.35Å; N27-A31 PolarHBondContact O-N 3.05Å; A28-A31 PolarHBondContact O-N 3.45Å; A31-N35 VanDerWaalsContact O-CB 3.29Å; A31-N35 WeakPolarHBondContact O-CB 3.41Å; A31-N35 PolarHBondContact O-N 2.82Å; A31-N35 PolarHBondContact O-ND2 3.03Å; A31-I50 HydrophobicContact CB-CG2 4.49Å; A31-F55 HydrophobicContact CB-CZ 4.27Å
32F91.1Very high86.6Confident0 Ų083.7 Ų83.70%041%0.414CS..Hα-helixtrans-65.4-46.1177.4-173.8-104.2000112Y8 A28 V29 D30 V34 V36 I37 F55 H57 A66Y8-F32 AromaticContact CD2-CD1 3.8Å; Y8-F32 HydrophobicContact CD2-CD1 3.8Å; Y8-F32 AromaticContact CD2-CE1 3.78Å; Y8-F32 HydrophobicContact CD2-CE1 3.78Å; Y8-F32 HydrophobicContact CE1-CD1 4.32Å; Y8-F32 AromaticContact CE2-CD1 3.36Å; Y8-F32 HydrophobicContact CE2-CD1 3.36Å; Y8-F32 AromaticContact CE2-CE1 3.74Å; Y8-F32 HydrophobicContact CE2-CE1 3.74Å; Y8-F32 HydrophobicContact CE2-CG 4.3Å; Y8-F32 HydrophobicContact CG-CD1 4.45Å; Y8-F32 AromaticContact CZ-CD1 3.69Å; A28-F32 PolarHBondContact O-N 2.81Å; A28-F32 VanDerWaalsContact O-N 3.1Å; V29-F32 PolarHBondContact O-N 2.8Å; D30-F32 VanDerWaalsContact C-N 3.32Å; D30-F32 PolarHBondContact O-N 2.97Å; F32-V34 PolarHBondContact O-N 2.68Å; F32-V36 HydrophobicContact CD2-CB 3.9Å; F32-V36 HydrophobicContact CD2-CG1 4.39Å; F32-V36 HydrophobicContact CD2-CG2 3.65Å; F32-V36 HydrophobicContact CE2-CB 3.73Å; F32-V36 HydrophobicContact CE2-CG1 3.71Å; F32-V36 HydrophobicContact CE2-CG2 3.73Å; F32-V36 HydrophobicContact CG-CB 4.46Å; F32-V36 HydrophobicContact CG-CG2 4.48Å; F32-V36 HydrophobicContact CZ-CB 4.14Å; F32-V36 HydrophobicContact CZ-CG1 3.9Å; F32-V36 WeakPolarHBondContact O-CA 3.49Å; F32-V36 VanDerWaalsContact O-CB 3.29Å; F32-V36 WeakPolarHBondContact O-CB 3.48Å; F32-V36 PolarHBondContact O-N 3.1Å; F32-I37 HydrophobicContact CD1-CD1 3.94Å; F32-I37 HydrophobicContact CD1-CG1 4.11Å; F32-I37 HydrophobicContact CE1-CD1 3.79Å; F32-I37 HydrophobicContact CE1-CG1 3.82Å; F32-I37 PolarHBondContact O-N 3.06Å; F32-F55 HydrophobicContact CB-CD1 3.83Å; F32-F55 HydrophobicContact CB-CE1 3.81Å; F32-F55 HydrophobicContact CD2-CB 3.93Å; F32-F55 AromaticContact CD2-CD1 3.59Å; F32-F55 HydrophobicContact CD2-CD1 3.59Å; F32-F55 HydrophobicContact CD2-CE1 4.43Å; F32-F55 AromaticContact CD2-CG 3.98Å; F32-F55 HydrophobicContact CD2-CG 3.98Å; F32-F55 HydrophobicContact CE2-CB 4.24Å; F32-F55 HydrophobicContact CG-CD1 4.07Å; F32-H57 HydrophobicContact CE2-CB 3.74Å; F32-H57 AromaticContact CE2-CG 3.7Å; F32-H57 AromaticContact CE2-ND1 3.68Å; F32-H57 HydrophobicContact CZ-CB 3.57Å; F32-H57 AromaticContact CZ-CG 3.75Å; F32-A66 HydrophobicContact CD1-CB 4.17Å; F32-A66 HydrophobicContact CD2-CB 4.35Å; F32-A66 HydrophobicContact CE1-CB 3.86Å; F32-A66 HydrophobicContact CE2-CB 4.07Å; F32-A66 HydrophobicContact CG-CB 4.4Å; F32-A66 HydrophobicContact CZ-CB 3.82Å
33R90.7Very high85.6Confident96 Ų9678.7 Ų78.736%0.36239%0.39SS..Iπ-helixtrans-55.5-52.8177.7175.4177.463.4162.3-4.1111.8G12 V29 D30 I37 H38G12-R33 WeakPolarHBondContact O-CD 3.33Å; V29-R33 PolarHBondContact O-N 3.34Å; D30-R33 PolarHBondContact O-N 3.29Å; D30-R33 IonicContact OD1-CZ 3.78Å; D30-R33 IonicContact OD1-NE 3.7Å; D30-R33 IonicContact OD1-NH2 2.68Å; D30-R33 PolarHBondContact OD1-NH2 3.21Å; R33-I37 WeakPolarHBondContact O-CB 3.29Å; R33-I37 PolarHBondContact O-N 3.28Å; R33-H38 PolarHBondContact O-N 3.46Å
34V89.8Confident84.7Confident83 Ų8385.8 Ų85.850%0.50341%0.412SS..Iπ-helixtrans-70.8-45.4-174.4175.60000111.8D30 F32D30-V34 WeakPolarHBondContact O-CG2 3.47Å; D30-V34 PolarHBondContact O-N 3.27Å; F32-V34 PolarHBondContact O-N 2.68Å
35N89.1Confident84.7Confident87 Ų8787.9 Ų87.947%0.46543%0.427SS..Iπ-helixtrans-92.1-18.8-169-61.9-74.2000114.1A31 A39 I50A31-N35 VanDerWaalsContact O-CB 3.29Å; A31-N35 WeakPolarHBondContact O-CB 3.41Å; A31-N35 PolarHBondContact O-N 2.82Å; A31-N35 PolarHBondContact O-ND2 3.03Å; N35-A39 WeakPolarHBondContact O-CB 3.29Å; N35-I50 HydrophobicContact CB-CD1 3.65Å; N35-I50 HydrophobicContact CB-CG1 4.48Å
36V90.1Very high85.1Confident3 Ų389.4 Ų89.42%0.01843%0.43CS..Iπ-helixtrans-113.6-55.3-179.4-173.90000111F32 A39 V43 T48 I50F32-V36 HydrophobicContact CD2-CB 3.9Å; F32-V36 HydrophobicContact CD2-CG1 4.39Å; F32-V36 HydrophobicContact CD2-CG2 3.65Å; F32-V36 HydrophobicContact CE2-CB 3.73Å; F32-V36 HydrophobicContact CE2-CG1 3.71Å; F32-V36 HydrophobicContact CE2-CG2 3.73Å; F32-V36 HydrophobicContact CG-CB 4.46Å; F32-V36 HydrophobicContact CG-CG2 4.48Å; F32-V36 HydrophobicContact CZ-CB 4.14Å; F32-V36 HydrophobicContact CZ-CG1 3.9Å; F32-V36 WeakPolarHBondContact O-CA 3.49Å; F32-V36 VanDerWaalsContact O-CB 3.29Å; F32-V36 WeakPolarHBondContact O-CB 3.48Å; F32-V36 PolarHBondContact O-N 3.1Å; V36-A39 WeakPolarHBondContact O-CB 3.47Å; V36-V43 HydrophobicContact CG1-CG1 4.07Å; V36-V43 HydrophobicContact CG1-CG2 3.96Å; V36-V43 VanDerWaalsContact O-CG2 3.23Å; V36-V43 WeakPolarHBondContact O-CG2 3.44Å; V36-T48 HydrophobicContact CG2-CG2 4.26Å; V36-I50 HydrophobicContact CG2-CD1 4.33Å
37I90.1Very high85.8Confident25 Ų2581.5 Ų81.513%0.12841%0.406CS..Iπ-helixtrans-71.9-41.3-174.9-56.6179.5000111.3Y8 G12 F32 R33 W64Y8-I37 HydrophobicContact CD1-CD1 4.03Å; Y8-I37 HydrophobicContact CD2-CD1 4.29Å; Y8-I37 HydrophobicContact CG-CD1 3.77Å; G12-I37 VanDerWaalsContact CA-CD1 3.49Å; F32-I37 HydrophobicContact CD1-CD1 3.94Å; F32-I37 HydrophobicContact CD1-CG1 4.11Å; F32-I37 HydrophobicContact CE1-CD1 3.79Å; F32-I37 HydrophobicContact CE1-CG1 3.82Å; F32-I37 PolarHBondContact O-N 3.06Å; R33-I37 WeakPolarHBondContact O-CB 3.29Å; R33-I37 PolarHBondContact O-N 3.28Å; I37-W64 HydrophobicContact CD1-CG 4.48Å
38H89.1Confident86.2Confident107 Ų10776.8 Ų76.850%0.49538%0.382SS..THydrogen-bonded Turntrans-97.216.3178.3-62.2164.7000113.8K11 R33 R40K11-H38 PolarHBondContact O-CE1 3Å; K11-H38 PolarHBondContact O-NE2 3.3Å; R33-H38 PolarHBondContact O-N 3.46Å; H38-R40 PolarHBondContact O-N 2.95Å
39A85.9Confident86.6Confident40 Ų4081 Ų8133%0.33140%0.403SS..  trans-57.2125.4176.700000110.6N35 V36 Q41N35-A39 WeakPolarHBondContact O-CB 3.29Å; V36-A39 WeakPolarHBondContact O-CB 3.47Å; A39-Q41 CarbonylContact C-O 3.52Å; A39-Q41 VanDerWaalsContact CB-O 3.31Å; A39-Q41 WeakPolarHBondContact CB-O 3.42Å; A39-Q41 PolarHBondContact O-N 3.29Å
40R76Confident86.9Confident259 Ų25981.5 Ų81.598%0.97740%0.404SS*.SBendtrans-63-30.5175.7-68.4-175180-1760.5112.1H38H38-R40 PolarHBondContact O-N 2.95Å
41Q77.4Confident86.9Confident123 Ų12382.6 Ų82.658%0.57542%0.423SS*.SBendtrans-91.9145.1172-64.4-171.2-0.600109.4A39 V43A39-Q41 CarbonylContact C-O 3.52Å; A39-Q41 VanDerWaalsContact CB-O 3.31Å; A39-Q41 WeakPolarHBondContact CB-O 3.42Å; A39-Q41 PolarHBondContact O-N 3.29Å; Q41-V43 PolarHBondContact O-N 3.18Å
42Q74.6Confident86.9Confident183 Ų18391.9 Ų91.986%0.85545%0.453SS*.  trans-54.6135.3174.7-66.7-171.2-6.500110.3R44Q42-R44 VanDerWaalsContact O-CG 3.27Å; Q42-R44 WeakPolarHBondContact O-CG 3.49Å; Q42-R44 PolarHBondContact O-N 3.4Å; Q42-R44 VanDerWaalsContact O-N 3.08Å
43V70.8Confident87.1Confident60 Ų6092.5 Ų92.536%0.36446%0.457SS..  trans-55.5114.9177.71790000109V36 Q41 H57 W64V36-V43 HydrophobicContact CG1-CG1 4.07Å; V36-V43 HydrophobicContact CG1-CG2 3.96Å; V36-V43 VanDerWaalsContact O-CG2 3.23Å; V36-V43 WeakPolarHBondContact O-CG2 3.44Å; Q41-V43 PolarHBondContact O-N 3.18Å; V43-H57 WeakPolarHBondContact CG1-NE2 3.33Å; V43-W64 HydrophobicContact CG2-CH2 4.05Å
44R72.6Confident87.3Confident209 Ų20989.2 Ų89.279%0.78945%0.449SS*.  trans-89-25.2-170.9-59.5-172.8-175.4-160.50.6113.6Q42Q42-R44 VanDerWaalsContact O-CG 3.27Å; Q42-R44 WeakPolarHBondContact O-CG 3.49Å; Q42-R44 PolarHBondContact O-N 3.4Å; Q42-R44 VanDerWaalsContact O-N 3.08Å
45S91.1Very high87.6Confident51 Ų5185.3 Ų85.336%0.35743%0.425SS..  trans-142.3136.7-169.9175.70000111.3V47 H57S45-V47 WeakPolarHBondContact CB-O 3.42Å; S45-V47 PolarHBondContact O-N 3.4Å; S45-V47 PolarHBondContact OG-N 2.85Å; S45-V47 VanDerWaalsContact OG-N 3.12Å; S45-V47 PolarHBondContact OG-O 2.75Å; S45-H57 PolarHBondContact O-CE1 3.43Å; S45-H57 PolarHBondContact O-NE2 3.28Å
46P94.1Very high88Confident71 Ų7181.6 Ų81.646%0.46141%0.405SS..SBendtrans-71.4-8.2173.132.9-36.7000112.9F56 H57 F79P46-F56 WeakPolarHBondContact O-CA 3.49Å; P46-H57 PolarHBondContact O-N 3.01Å; P46-H57 PolarHBondContact O-ND1 3.08Å; P46-F79 HydrophobicContact CB-CE1 3.98Å; P46-F79 HydrophobicContact CB-CZ 3.78Å; P46-F79 HydrophobicContact CG-CZ 4.15Å
47V95.8Very high88.3Confident50 Ų5081.8 Ų81.830%0.30341%0.405SS..EExtended strand (participates in β ladder)trans-119.2121.3171.3-172.50000108.8S45 F55 F56 F79S45-V47 WeakPolarHBondContact CB-O 3.42Å; S45-V47 PolarHBondContact O-N 3.4Å; S45-V47 PolarHBondContact OG-N 2.85Å; S45-V47 VanDerWaalsContact OG-N 3.12Å; S45-V47 PolarHBondContact OG-O 2.75Å; V47-F55 WeakPolarHBondContact CA-O 3.29Å; V47-F56 HydrophobicContact CB-CD1 4.48Å; V47-F56 HydrophobicContact CG1-CD1 4.12Å; V47-F56 HydrophobicContact CG1-CE1 3.85Å; V47-F56 HydrophobicContact CG1-CZ 4.35Å; V47-F56 HydrophobicContact CG2-CD1 3.65Å; V47-F56 HydrophobicContact CG2-CE1 3.86Å; V47-F79 HydrophobicContact CG2-CE2 3.57Å; V47-F79 HydrophobicContact CG2-CZ 3.6Å
48T93.8Very high88.5Confident36 Ų3681.1 Ų81.122%0.22140%0.402CS..EExtended strand (participates in β ladder)trans-122.5134.7177.1-52.70000109.3V36 I50 F55V36-T48 HydrophobicContact CG2-CG2 4.26Å; T48-I50 HydrophobicContact CG2-CD1 4.19Å; T48-I50 HydrophobicContact CG2-CG1 3.84Å; T48-F55 PolarHBondContact N-O 3.27Å; T48-F55 PolarHBondContact O-N 2.89Å
49N93.3Very high88.6Confident100 Ų10081.2 Ų81.254%0.53540%0.401SS..EExtended strand (participates in β ladder)trans-106121.2171.8-168.5-86.2000109.2R52 T53 S54N49-R52 WeakPolarHBondContact OD1-CA 3.45Å; N49-R52 PolarHBondContact OD1-N 2.7Å; N49-T53 CarbonylContact C-O 3.56Å; N49-T53 WeakPolarHBondContact CA-O 3.37Å; N49-S54 PolarHBondContact ND2-OG 2.69Å
50I91.1Very high88.8Confident32 Ų3284 Ų8416%0.16440%0.403CS..EExtended strand (participates in β ladder)trans-126.7119.7178.8-51.4166000107.1A31 N35 V36 T48 R52 T53 F55A31-I50 HydrophobicContact CB-CG2 4.49Å; N35-I50 HydrophobicContact CB-CD1 3.65Å; N35-I50 HydrophobicContact CB-CG1 4.48Å; V36-I50 HydrophobicContact CG2-CD1 4.33Å; T48-I50 HydrophobicContact CG2-CD1 4.19Å; T48-I50 HydrophobicContact CG2-CG1 3.84Å; I50-R52 VanDerWaalsContact C-N 3.28Å; I50-R52 PolarHBondContact O-N 2.85Å; I50-T53 PolarHBondContact N-O 2.93Å; I50-T53 WeakPolarHBondContact O-CA 3.31Å; I50-T53 WeakPolarHBondContact O-CB 3.43Å; I50-T53 PolarHBondContact O-N 2.86Å; I50-F55 HydrophobicContact CB-CD2 4.32Å; I50-F55 HydrophobicContact CB-CE2 3.88Å; I50-F55 HydrophobicContact CD1-CD2 3.92Å; I50-F55 HydrophobicContact CD1-CE2 3.88Å; I50-F55 HydrophobicContact CG1-CD2 4.13Å; I50-F55 HydrophobicContact CG1-CE2 4.12Å
51A88.8Confident89.4Confident95 Ų9576 Ų7679%0.78539%0.387SS*.THydrogen-bonded Turntrans47.849.1179.600000113T53A51-T53 PolarHBondContact O-N 2.78Å; A51-T53 VanDerWaalsContact O-N 3.15Å
52R90.6Very high90Very high219 Ų21975.1 Ų75.183%0.82639%0.386SS*.THydrogen-bonded Turntrans62.912.9-177.7-53.2-177.8177.4-172.9-0.6115.3N49 I50N49-R52 WeakPolarHBondContact OD1-CA 3.45Å; N49-R52 PolarHBondContact OD1-N 2.7Å; I50-R52 VanDerWaalsContact C-N 3.28Å; I50-R52 PolarHBondContact O-N 2.85Å
53T94.2Very high90.9Very high14 Ų1466.6 Ų66.69%0.08635%0.346CS..EExtended strand (participates in β ladder)trans-104.9127.1172.2-53.30000109N49 I50 A51 F55 V68 K70N49-T53 CarbonylContact C-O 3.56Å; N49-T53 WeakPolarHBondContact CA-O 3.37Å; I50-T53 PolarHBondContact N-O 2.93Å; I50-T53 WeakPolarHBondContact O-CA 3.31Å; I50-T53 WeakPolarHBondContact O-CB 3.43Å; I50-T53 PolarHBondContact O-N 2.86Å; A51-T53 PolarHBondContact O-N 2.78Å; A51-T53 VanDerWaalsContact O-N 3.15Å; T53-F55 HydrophobicContact CG2-CD2 4.41Å; T53-F55 HydrophobicContact CG2-CE2 3.68Å; T53-F55 HydrophobicContact CG2-CZ 3.79Å; T53-F55 WeakPolarHBondContact O-CD2 3.48Å; T53-F55 WeakPolarHBondContact O-CE2 3.38Å; T53-V68 HydrophobicContact CG2-CG1 3.45Å; T53-V68 VanDerWaalsContact CG2-CG1 3.45Å; T53-K70 HydrophobicContact CG2-CG 4.11Å
54S96Very high92.1Very high26 Ų2664.9 Ų64.918%0.18233%0.333CS..EExtended strand (participates in β ladder)trans-91.8130.6179.6-65.30000110.6N49 V68 T69N49-S54 PolarHBondContact ND2-OG 2.69Å; S54-V68 WeakPolarHBondContact O-CA 3.34Å; S54-T69 PolarHBondContact N-O 3.2Å; S54-T69 PolarHBondContact O-N 3.06Å
55F96Very high93.2Very high1 Ų155 Ų550%0.00430%0.296CS..EExtended strand (participates in β ladder)trans-117.6105.2179.1-64.3-94.7000109.3A28 A31 F32 V47 T48 I50 T53 V68A28-F55 HydrophobicContact CB-CE1 4.32Å; A28-F55 HydrophobicContact CB-CZ 4.23Å; A28-F55 VanDerWaalsContact O-CE1 3.27Å; A28-F55 WeakPolarHBondContact O-CE1 3.47Å; A31-F55 HydrophobicContact CB-CZ 4.27Å; F32-F55 HydrophobicContact CB-CD1 3.83Å; F32-F55 HydrophobicContact CB-CE1 3.81Å; F32-F55 HydrophobicContact CD2-CB 3.93Å; F32-F55 AromaticContact CD2-CD1 3.59Å; F32-F55 HydrophobicContact CD2-CD1 3.59Å; F32-F55 HydrophobicContact CD2-CE1 4.43Å; F32-F55 AromaticContact CD2-CG 3.98Å; F32-F55 HydrophobicContact CD2-CG 3.98Å; F32-F55 HydrophobicContact CE2-CB 4.24Å; F32-F55 HydrophobicContact CG-CD1 4.07Å; V47-F55 WeakPolarHBondContact CA-O 3.29Å; T48-F55 PolarHBondContact N-O 3.27Å; T48-F55 PolarHBondContact O-N 2.89Å; I50-F55 HydrophobicContact CB-CD2 4.32Å; I50-F55 HydrophobicContact CB-CE2 3.88Å; I50-F55 HydrophobicContact CD1-CD2 3.92Å; I50-F55 HydrophobicContact CD1-CE2 3.88Å; I50-F55 HydrophobicContact CG1-CD2 4.13Å; I50-F55 HydrophobicContact CG1-CE2 4.12Å; T53-F55 HydrophobicContact CG2-CD2 4.41Å; T53-F55 HydrophobicContact CG2-CE2 3.68Å; T53-F55 HydrophobicContact CG2-CZ 3.79Å; T53-F55 WeakPolarHBondContact O-CD2 3.48Å; T53-F55 WeakPolarHBondContact O-CE2 3.38Å; F55-V68 HydrophobicContact CD1-CB 4.41Å; F55-V68 HydrophobicContact CD1-CG1 4.12Å; F55-V68 HydrophobicContact CD1-CG2 3.53Å; F55-V68 HydrophobicContact CE1-CB 4.39Å; F55-V68 HydrophobicContact CE1-CG1 3.76Å; F55-V68 HydrophobicContact CE1-CG2 3.66Å; F55-V68 HydrophobicContact CZ-CG1 4.13Å
56F97.4Very high93.5Very high10 Ų1052.5 Ų52.54%0.04428%0.279CS..EExtended strand (participates in β ladder)trans-90.5124.1171.4-57.2-90.9000107.7P46 V47 A66 A67 T69 V73 A75 V78 F79 L82P46-F56 WeakPolarHBondContact O-CA 3.49Å; V47-F56 HydrophobicContact CB-CD1 4.48Å; V47-F56 HydrophobicContact CG1-CD1 4.12Å; V47-F56 HydrophobicContact CG1-CE1 3.85Å; V47-F56 HydrophobicContact CG1-CZ 4.35Å; V47-F56 HydrophobicContact CG2-CD1 3.65Å; V47-F56 HydrophobicContact CG2-CE1 3.86Å; F56-A66 CarbonylContact O-C 3.56Å; F56-A66 VanDerWaalsContact O-CA 3.29Å; F56-A66 WeakPolarHBondContact O-CA 3.31Å; F56-A67 HydrophobicContact CB-CB 4.32Å; F56-A67 PolarHBondContact N-O 2.88Å; F56-A67 PolarHBondContact O-N 3.37Å; F56-T69 HydrophobicContact CD2-CG2 4.36Å; F56-T69 HydrophobicContact CE2-CG2 3.66Å; F56-V73 HydrophobicContact CE2-CG2 3.93Å; F56-V73 HydrophobicContact CZ-CG2 3.95Å; F56-A75 HydrophobicContact CD1-CB 4.26Å; F56-A75 HydrophobicContact CE1-CB 3.49Å; F56-A75 VanDerWaalsContact CE1-CB 3.49Å; F56-A75 HydrophobicContact CZ-CB 4.32Å; F56-V78 HydrophobicContact CB-CG1 3.67Å; F56-V78 HydrophobicContact CD1-CB 4.37Å; F56-V78 HydrophobicContact CD1-CG1 4.32Å; F56-V78 HydrophobicContact CD2-CG1 3.97Å; F56-V78 HydrophobicContact CD2-CG2 4.49Å; F56-V78 HydrophobicContact CG-CB 4.22Å; F56-V78 HydrophobicContact CG-CG1 3.72Å; F56-F79 HydrophobicContact CB-CE1 4.39Å; F56-F79 HydrophobicContact CB-CZ 4.21Å; F56-F79 HydrophobicContact CD1-CD2 4.47Å; F56-F79 AromaticContact CD1-CE2 3.8Å; F56-F79 HydrophobicContact CD1-CE2 3.8Å; F56-F79 HydrophobicContact CD1-CZ 4.02Å; F56-L82 HydrophobicContact CB-CD1 4.44Å
57H95.5Very high93.6Very high7 Ų749.2 Ų49.23%0.03226%0.257CS..EExtended strand (participates in β ladder)trans-142.4145.9-176.763.1-87.6000113.5F32 V43 S45 P46 W64 L65 A66F32-H57 HydrophobicContact CE2-CB 3.74Å; F32-H57 AromaticContact CE2-CG 3.7Å; F32-H57 AromaticContact CE2-ND1 3.68Å; F32-H57 HydrophobicContact CZ-CB 3.57Å; F32-H57 AromaticContact CZ-CG 3.75Å; V43-H57 WeakPolarHBondContact CG1-NE2 3.33Å; S45-H57 PolarHBondContact O-CE1 3.43Å; S45-H57 PolarHBondContact O-NE2 3.28Å; P46-H57 PolarHBondContact O-N 3.01Å; P46-H57 PolarHBondContact O-ND1 3.08Å; H57-W64 AromaticContact CD2-CE3 3.92Å; H57-W64 AromaticContact CD2-CZ3 3.63Å; H57-L65 CarbonylContact C-O 3.57Å; H57-L65 WeakPolarHBondContact CA-O 3.35Å; H57-L65 WeakPolarHBondContact CB-O 3.21Å; H57-A66 HydrophobicContact CB-CB 4.24Å
58V95.1Very high93.7Very high10 Ų1046.8 Ų46.86%0.06124%0.243CC..EExtended strand (participates in β ladder)trans-127.5149175.5-61.80000109.2L65 F79 L82 Y83V58-L65 HydrophobicContact CG2-CB 3.81Å; V58-L65 HydrophobicContact CG2-CD1 4.1Å; V58-L65 HydrophobicContact CG2-CG 4.43Å; V58-L65 PolarHBondContact N-O 3.33Å; V58-L65 PolarHBondContact O-N 2.93Å; V58-F79 HydrophobicContact CG1-CD1 3.76Å; V58-F79 HydrophobicContact CG1-CE1 3.95Å; V58-L82 HydrophobicContact CG1-CD1 4.31Å; V58-L82 HydrophobicContact CG2-CB 4.23Å; V58-L82 HydrophobicContact CG2-CD1 4.41Å; V58-Y83 HydrophobicContact CB-CE1 4.36Å; V58-Y83 HydrophobicContact CG1-CD1 4.46Å; V58-Y83 HydrophobicContact CG1-CE1 3.72Å
59K91.7Very high93.8Very high110 Ų11045.2 Ų45.248%0.47823%0.233SC..EExtended strand (participates in β ladder)trans-114.3122.4177.2-165.9-178.5-173.3177.90109.9S61 I63 W64K59-S61 VanDerWaalsContact CE-O 3.22Å; K59-S61 WeakPolarHBondContact CE-O 3.17Å; K59-I63 CarbonylContact C-O 3.52Å; K59-I63 WeakPolarHBondContact CA-O 3.15Å; K59-W64 HydrophobicContact CB-CD2 4.32Å; K59-W64 HydrophobicContact CB-CE3 4.04Å; K59-W64 HydrophobicContact CB-CZ3 4.18Å; K59-W64 HydrophobicContact CD-CD2 4.26Å; K59-W64 HydrophobicContact CD-CE3 4.49Å; 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 4.26Å; K59-W64 HydrophobicContact CG-CZ2 4.33Å
60R89.2Confident93.9Very high99 Ų9945.7 Ų45.737%0.37423%0.23SC..EExtended strand (participates in β ladder)trans-114.8104172.6-67.4-58.8-169.6-1585108.5N62 I63 L65R60-N62 PolarHBondContact O-N 3.12Å; R60-I63 PolarHBondContact N-O 3.46Å; R60-I63 PolarHBondContact O-N 2.93Å; R60-L65 HydrophobicContact CB-CD1 4.43Å; R60-L65 HydrophobicContact CG-CD1 4.19Å
61S87.6Confident94.1Very high91 Ų9148.4 Ų48.464%0.63624%0.242SC*.THydrogen-bonded Turntrans54.6-110.6-171.1-57.60000111.5K59K59-S61 VanDerWaalsContact CE-O 3.22Å; K59-S61 WeakPolarHBondContact CE-O 3.17Å
62N90Very high94.5Very high103 Ų10352 Ų5255%0.55125%0.249SC*.THydrogen-bonded Turntrans-103.37.6-179.6-70-14.4000112.9N9 H10 R60N9-N62 CarbonylContact C-O 3.56Å; H10-N62 HydrophobicContact CB-CB 4.24Å; H10-N62 PolarHBondContact N-O 3.24Å; H10-N62 VanDerWaalsContact N-O 3.11Å; R60-N62 PolarHBondContact O-N 3.12Å
63I95.2Very high94.7Very high4 Ų442.5 Ų42.52%0.02122%0.215CC..EExtended strand (participates in β ladder)trans-106.3133.3-179.6-57.8-61.8000109.4I7 Y8 L15 K59 R60 L65 I96 E98 I101I7-I63 HydrophobicContact CG2-CG2 3.32Å; Y8-I63 WeakPolarHBondContact O-CA 3.34Å; L15-I63 HydrophobicContact CD1-CD1 3.66Å; K59-I63 CarbonylContact C-O 3.52Å; K59-I63 WeakPolarHBondContact CA-O 3.15Å; R60-I63 PolarHBondContact N-O 3.46Å; R60-I63 PolarHBondContact O-N 2.93Å; I63-L65 HydrophobicContact CG2-CD1 4.21Å; I63-I96 HydrophobicContact CG2-CG2 4.43Å; I63-E98 HydrophobicContact CD1-CB 4.04Å; I63-I101 HydrophobicContact CD1-CD1 4.12Å; I63-I101 HydrophobicContact CG1-CD1 4.22Å; I63-I101 HydrophobicContact CG2-CD1 3.89Å
64W95.4Very high94.9Very high24 Ų2446.8 Ų46.89%0.09124%0.237CC..EExtended strand (participates in β ladder)trans-105.2131.4173.3-63.288000109.2I7 Y8 I37 V43 H57 K59I7-W64 CarbonylContact C-O 3.6Å; I7-W64 VanDerWaalsContact CA-O 3.29Å; I7-W64 WeakPolarHBondContact CA-O 3.49Å; Y8-W64 HydrophobicContact CD2-CB 4.48Å; Y8-W64 PolarHBondContact N-O 2.86Å; Y8-W64 PolarHBondContact O-N 3.12Å; I37-W64 HydrophobicContact CD1-CG 4.48Å; V43-W64 HydrophobicContact CG2-CH2 4.05Å; H57-W64 AromaticContact CD2-CE3 3.92Å; H57-W64 AromaticContact CD2-CZ3 3.63Å; K59-W64 HydrophobicContact CB-CD2 4.32Å; K59-W64 HydrophobicContact CB-CE3 4.04Å; K59-W64 HydrophobicContact CB-CZ3 4.18Å; K59-W64 HydrophobicContact CD-CD2 4.26Å; K59-W64 HydrophobicContact CD-CE3 4.49Å; 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 4.26Å; K59-W64 HydrophobicContact CG-CZ2 4.33Å
65L96.3Very high94.9Very high1 Ų147.4 Ų47.41%0.00524%0.244CC..EExtended strand (participates in β ladder)trans-110.3127.2169.1-60.985.4000107.1I7 H57 V58 R60 I63 L82 M85 C86I7-L65 HydrophobicContact CG1-CG 4.4Å; H57-L65 CarbonylContact C-O 3.57Å; H57-L65 WeakPolarHBondContact CA-O 3.35Å; H57-L65 WeakPolarHBondContact CB-O 3.21Å; V58-L65 HydrophobicContact CG2-CB 3.81Å; V58-L65 HydrophobicContact CG2-CD1 4.1Å; V58-L65 HydrophobicContact CG2-CG 4.43Å; V58-L65 PolarHBondContact N-O 3.33Å; V58-L65 PolarHBondContact O-N 2.93Å; R60-L65 HydrophobicContact CB-CD1 4.43Å; R60-L65 HydrophobicContact CG-CD1 4.19Å; I63-L65 HydrophobicContact CG2-CD1 4.21Å; L65-L82 HydrophobicContact CB-CD2 4.23Å; L65-M85 HydrophobicContact CD2-CE 3.65Å; L65-M85 HydrophobicContact CD2-SD 4.03Å; L65-C86 VanDerWaalsContact CD2-SG 3.56Å
66A96Very high94.9Very high0 Ų050.2 Ų50.20%027%0.268CS..EExtended strand (participates in β ladder)trans-125.7123.7179.500000110.4L5 F6 Y8 F32 F56 H57L5-A66 WeakPolarHBondContact CA-O 3.21Å; F6-A66 PolarHBondContact N-O 3.23Å; F6-A66 PolarHBondContact O-N 3.37Å; Y8-A66 HydrophobicContact CD2-CB 4.49Å; Y8-A66 HydrophobicContact CE2-CB 3.9Å; F32-A66 HydrophobicContact CD1-CB 4.17Å; F32-A66 HydrophobicContact CD2-CB 4.35Å; F32-A66 HydrophobicContact CE1-CB 3.86Å; F32-A66 HydrophobicContact CE2-CB 4.07Å; F32-A66 HydrophobicContact CG-CB 4.4Å; F32-A66 HydrophobicContact CZ-CB 3.82Å; F56-A66 CarbonylContact O-C 3.56Å; F56-A66 VanDerWaalsContact O-CA 3.29Å; F56-A66 WeakPolarHBondContact O-CA 3.31Å; H57-A66 HydrophobicContact CB-CB 4.24Å
67A97.5Very high94.9Very high1 Ų152.8 Ų52.81%0.00828%0.28CS..EExtended strand (participates in β ladder)trans-98.8132.5165.100000109.2I2 G4 F56 V78 L82I2-A67 HydrophobicContact CG2-CB 4.15Å; G4-A67 CarbonylContact O-C 3.6Å; G4-A67 WeakPolarHBondContact O-CA 3.5Å; F56-A67 HydrophobicContact CB-CB 4.32Å; F56-A67 PolarHBondContact N-O 2.88Å; F56-A67 PolarHBondContact O-N 3.37Å; A67-V78 HydrophobicContact CB-CG1 3.55Å; A67-L82 HydrophobicContact CB-CD1 4.19Å; A67-L82 HydrophobicContact CB-CD2 4.21Å; A67-L82 HydrophobicContact CB-CG 4.39Å
68V97.1Very high95Very high0 Ų052.5 Ų52.50%028%0.279CS..EExtended strand (participates in β ladder)trans-121.6136.8-172.7-173.60000109.3G3 G4 F6 I24 A28 T53 S54 F55G3-V68 WeakPolarHBondContact CA-O 3.39Å; G3-V68 PolarHBondContact N-O 3.4Å; G4-V68 PolarHBondContact N-O 2.94Å; G4-V68 PolarHBondContact O-N 3.24Å; F6-V68 HydrophobicContact CD2-CG2 3.61Å; F6-V68 HydrophobicContact CE2-CB 4.01Å; F6-V68 HydrophobicContact CE2-CG2 3.53Å; I24-V68 HydrophobicContact CD1-CG1 4Å; I24-V68 HydrophobicContact CG2-CG1 4.36Å; A28-V68 HydrophobicContact CB-CG1 4.19Å; T53-V68 HydrophobicContact CG2-CG1 3.45Å; T53-V68 VanDerWaalsContact CG2-CG1 3.45Å; S54-V68 WeakPolarHBondContact O-CA 3.34Å; F55-V68 HydrophobicContact CD1-CB 4.41Å; F55-V68 HydrophobicContact CD1-CG1 4.12Å; F55-V68 HydrophobicContact CD1-CG2 3.53Å; F55-V68 HydrophobicContact CE1-CB 4.39Å; F55-V68 HydrophobicContact CE1-CG1 3.76Å; F55-V68 HydrophobicContact CE1-CG2 3.66Å; F55-V68 HydrophobicContact CZ-CG1 4.13Å
69T96.6Very high95.1Very high2 Ų253.5 Ų53.51%0.01228%0.283CS..EExtended strand (participates in β ladder)trans-156.7147.9175-174.90000110.6M1 S54 F56 Q71 V73M1-T69 PolarHBondContact O-OG1 3.49Å; S54-T69 PolarHBondContact N-O 3.2Å; S54-T69 PolarHBondContact O-N 3.06Å; F56-T69 HydrophobicContact CD2-CG2 4.36Å; F56-T69 HydrophobicContact CE2-CG2 3.66Å; T69-Q71 PolarHBondContact OG1-N 3.42Å; T69-Q71 VanDerWaalsContact OG1-N 3.09Å; T69-V73 HydrophobicContact CG2-CG1 4.3Å; T69-V73 HydrophobicContact CG2-CG2 3.73Å
70K95.7Very high95.3Very high110 Ų11053.7 Ų53.748%0.47829%0.285SS..SBendtrans-96.1-3.7168.8-67.9175.9175.2171.60112.5D23 I24 T53D23-K70 HydrophobicContact CB-CD 4.35Å; D23-K70 VanDerWaalsContact O-CE 3.31Å; D23-K70 WeakPolarHBondContact O-CE 3.49Å; D23-K70 PolarHBondContact O-NZ 2.95Å; I24-K70 HydrophobicContact CD1-CD 4.48Å; I24-K70 HydrophobicContact CD1-CG 4.19Å; T53-K70 HydrophobicContact CG2-CG 4.11Å
71Q95.1Very high95.7Very high89 Ų8949.5 Ų49.542%0.41627%0.27SS..SBendtrans-92.6155.9-178.4-61.6-171.8-21.400111.3T69 V73T69-Q71 PolarHBondContact OG1-N 3.42Å; T69-Q71 VanDerWaalsContact OG1-N 3.09Å; Q71-V73 HydrophobicContact CB-CG1 4.17Å; Q71-V73 PolarHBondContact O-N 3.49Å; Q71-V73 VanDerWaalsContact O-N 3.1Å
72N95.6Very high96.1Very high172 Ų17245.2 Ų45.292%0.9224%0.24SC*.  trans-79.190.6171.8-172.311000109.7
73V96.4Very high96.4Very high18 Ų1844.5 Ų44.511%0.10923%0.23CC..  trans-102.4158.4-179.3-59.40000111.5M1 F56 T69 Q71 A75 V78M1-V73 VanDerWaalsContact N-CG1 3.27Å; F56-V73 HydrophobicContact CE2-CG2 3.93Å; F56-V73 HydrophobicContact CZ-CG2 3.95Å; T69-V73 HydrophobicContact CG2-CG1 4.3Å; T69-V73 HydrophobicContact CG2-CG2 3.73Å; Q71-V73 HydrophobicContact CB-CG1 4.17Å; Q71-V73 PolarHBondContact O-N 3.49Å; Q71-V73 VanDerWaalsContact O-N 3.1Å; V73-A75 PolarHBondContact O-N 2.88Å; V73-V78 HydrophobicContact CG2-CG2 3.72Å
74N97.2Very high96.4Very high104 Ų10448.9 Ų48.956%0.55625%0.249SC*.  trans-65.6108.8169.5-174.6-40.6000110A76 M77 V78N74-A76 VanDerWaalsContact C-N 3.29Å; N74-A76 PolarHBondContact O-N 3.19Å; N74-A76 WeakPolarHBondContact OD1-CA 3.41Å; N74-A76 WeakPolarHBondContact OD1-CB 3.13Å; N74-A76 PolarHBondContact OD1-N 3.5Å; N74-M77 HydrophobicContact CB-CB 4.1Å; N74-M77 WeakPolarHBondContact O-CB 3.47Å; N74-M77 PolarHBondContact O-N 3.16Å; N74-M77 PolarHBondContact OD1-N 2.91Å; N74-V78 PolarHBondContact O-N 2.93Å
75A96.8Very high96.4Very high39 Ų3947.8 Ų47.832%0.32225%0.245SC..Hα-helixtrans-57.6-39.6-179.600000113F56 V73 M77 V78 F79F56-A75 HydrophobicContact CD1-CB 4.26Å; F56-A75 HydrophobicContact CE1-CB 3.49Å; F56-A75 VanDerWaalsContact CE1-CB 3.49Å; F56-A75 HydrophobicContact CZ-CB 4.32Å; V73-A75 PolarHBondContact O-N 2.88Å; A75-M77 PolarHBondContact O-N 3.2Å; A75-V78 PolarHBondContact O-N 3Å; A75-F79 WeakPolarHBondContact O-CD2 3.43Å; A75-F79 PolarHBondContact O-N 3.4Å
76A96.6Very high96.4Very high61 Ų6147.9 Ų47.950%0.50425%0.246SC..Hα-helixtrans-64.3-41.9-178.700000111.2N74 V78 F79 E80N74-A76 VanDerWaalsContact C-N 3.29Å; N74-A76 PolarHBondContact O-N 3.19Å; N74-A76 WeakPolarHBondContact OD1-CA 3.41Å; N74-A76 WeakPolarHBondContact OD1-CB 3.13Å; N74-A76 PolarHBondContact OD1-N 3.5Å; A76-V78 VanDerWaalsContact C-N 3.31Å; A76-V78 PolarHBondContact O-N 2.98Å; A76-F79 PolarHBondContact O-N 2.79Å; A76-E80 PolarHBondContact O-N 3.36Å
77M96.3Very high96.2Very high63 Ų6352.1 Ų52.131%0.3127%0.268SS..Hα-helixtrans-59.2-41.4174178-163.372.500111.9M1 N74 A75 E80 F81 P121M1-M77 HydrophobicContact CE-CE 3.56Å; M1-M77 HydrophobicContact CE-SD 3.95Å; M1-M77 HydrophobicContact SD-CE 4.06Å; N74-M77 HydrophobicContact CB-CB 4.1Å; N74-M77 WeakPolarHBondContact O-CB 3.47Å; N74-M77 PolarHBondContact O-N 3.16Å; N74-M77 PolarHBondContact OD1-N 2.91Å; A75-M77 PolarHBondContact O-N 3.2Å; M77-E80 PolarHBondContact O-N 3.19Å; M77-F81 WeakPolarHBondContact O-CB 3.45Å; M77-F81 PolarHBondContact O-N 3.35Å; M77-P121 HydrophobicContact SD-CG 4.49Å
78V97.8Very high96Very high1 Ų152.3 Ų52.31%0.00627%0.269CS..Hα-helixtrans-63.8-42.9177.7-1800000111.1I2 F56 A67 V73 N74 A75 A76 F81 L82I2-V78 HydrophobicContact CD1-CG1 4.15Å; I2-V78 HydrophobicContact CD1-CG2 4.22Å; I2-V78 HydrophobicContact CG1-CG1 4.48Å; I2-V78 HydrophobicContact CG1-CG2 4.06Å; F56-V78 HydrophobicContact CB-CG1 3.67Å; F56-V78 HydrophobicContact CD1-CB 4.37Å; F56-V78 HydrophobicContact CD1-CG1 4.32Å; F56-V78 HydrophobicContact CD2-CG1 3.97Å; F56-V78 HydrophobicContact CD2-CG2 4.49Å; F56-V78 HydrophobicContact CG-CB 4.22Å; F56-V78 HydrophobicContact CG-CG1 3.72Å; A67-V78 HydrophobicContact CB-CG1 3.55Å; V73-V78 HydrophobicContact CG2-CG2 3.72Å; N74-V78 PolarHBondContact O-N 2.93Å; A75-V78 PolarHBondContact O-N 3Å; A76-V78 VanDerWaalsContact C-N 3.31Å; A76-V78 PolarHBondContact O-N 2.98Å; V78-F81 PolarHBondContact O-N 3.49Å; V78-L82 HydrophobicContact CG1-CD1 4.28Å; V78-L82 WeakPolarHBondContact O-CG 3.21Å; V78-L82 PolarHBondContact O-N 2.99Å
79F97.8Very high95.9Very high31 Ų3152.5 Ų52.514%0.13627%0.27CS..Hα-helixtrans-68.8-42.3177.5-75.5-65.2000112.9P46 V47 F56 V58 A75 A76 F81 L82 Y83P46-F79 HydrophobicContact CB-CE1 3.98Å; P46-F79 HydrophobicContact CB-CZ 3.78Å; P46-F79 HydrophobicContact CG-CZ 4.15Å; V47-F79 HydrophobicContact CG2-CE2 3.57Å; V47-F79 HydrophobicContact CG2-CZ 3.6Å; F56-F79 HydrophobicContact CB-CE1 4.39Å; F56-F79 HydrophobicContact CB-CZ 4.21Å; F56-F79 HydrophobicContact CD1-CD2 4.47Å; F56-F79 AromaticContact CD1-CE2 3.8Å; F56-F79 HydrophobicContact CD1-CE2 3.8Å; F56-F79 HydrophobicContact CD1-CZ 4.02Å; V58-F79 HydrophobicContact CG1-CD1 3.76Å; V58-F79 HydrophobicContact CG1-CE1 3.95Å; A75-F79 WeakPolarHBondContact O-CD2 3.43Å; A75-F79 PolarHBondContact O-N 3.4Å; A76-F79 PolarHBondContact O-N 2.79Å; F79-F81 VanDerWaalsContact C-N 3.29Å; F79-F81 PolarHBondContact O-N 3.45Å; F79-L82 HydrophobicContact CD1-CD1 4.35Å; F79-L82 PolarHBondContact O-N 3.43Å; F79-Y83 HydrophobicContact CB-CD2 4.48Å; F79-Y83 HydrophobicContact CB-CE2 4.05Å; F79-Y83 WeakPolarHBondContact O-CD2 2.97Å; F79-Y83 VanDerWaalsContact O-CG 3.3Å; F79-Y83 PolarHBondContact O-N 2.87Å
80E95.4Very high95.7Very high114 Ų11454.4 Ų54.453%0.53329%0.286SS..Hα-helixtrans-56.5-46.3173.3-79.7-58.5135.500110.8A76 M77 L82 Y83 K84A76-E80 PolarHBondContact O-N 3.36Å; M77-E80 PolarHBondContact O-N 3.19Å; E80-L82 PolarHBondContact O-N 3.14Å; E80-Y83 PolarHBondContact O-N 3.25Å; E80-K84 WeakPolarHBondContact O-CB 3.48Å; E80-K84 VanDerWaalsContact O-CG 3.31Å; E80-K84 WeakPolarHBondContact O-CG 3.2Å; E80-K84 PolarHBondContact O-N 2.96Å
81F96.9Very high95.5Very high12 Ų1251.2 Ų51.25%0.05328%0.28CS..Hα-helixtrans-59.9-47174.5172.1-101.1000112.7I2 L5 M77 V78 F79 Y83 K84 M85 I115 L116 P121I2-F81 HydrophobicContact CD1-CD1 3.83Å; I2-F81 HydrophobicContact CD1-CE1 4.26Å; I2-F81 HydrophobicContact CD1-CG 4.49Å; L5-F81 HydrophobicContact CD1-CD1 4.47Å; L5-F81 HydrophobicContact CD1-CE1 3.59Å; L5-F81 HydrophobicContact CD1-CZ 4.43Å; M77-F81 WeakPolarHBondContact O-CB 3.45Å; M77-F81 PolarHBondContact O-N 3.35Å; V78-F81 PolarHBondContact O-N 3.49Å; F79-F81 VanDerWaalsContact C-N 3.29Å; F79-F81 PolarHBondContact O-N 3.45Å; F81-Y83 VanDerWaalsContact C-N 3.29Å; F81-Y83 PolarHBondContact O-N 3.04Å; F81-K84 PolarHBondContact O-N 2.89Å; F81-M85 WeakPolarHBondContact O-CB 3.23Å; F81-M85 PolarHBondContact O-N 3.14Å; F81-I115 HydrophobicContact CE2-CB 4.44Å; F81-I115 HydrophobicContact CE2-CD1 4.13Å; F81-I115 HydrophobicContact CE2-CG1 3.86Å; F81-I115 HydrophobicContact CZ-CD1 4.25Å; F81-I115 HydrophobicContact CZ-CG1 4.09Å; F81-L116 HydrophobicContact CE1-CD1 4.28Å; F81-L116 HydrophobicContact CE1-CD2 3.73Å; F81-L116 HydrophobicContact CE1-CG 4.46Å; F81-L116 HydrophobicContact CE2-CB 4.04Å; F81-L116 HydrophobicContact CE2-CD1 4.08Å; F81-L116 HydrophobicContact CE2-CG 4.47Å; F81-L116 HydrophobicContact CZ-CB 3.71Å; F81-L116 HydrophobicContact CZ-CD1 3.96Å; F81-L116 HydrophobicContact CZ-CD2 3.67Å; F81-L116 HydrophobicContact CZ-CG 4Å; F81-P121 HydrophobicContact CB-CG 4.34Å; F81-P121 HydrophobicContact CD2-CB 3.88Å; F81-P121 HydrophobicContact CD2-CG 4.16Å; F81-P121 HydrophobicContact CE2-CB 4.5Å; F81-P121 HydrophobicContact CG-CB 4.45Å; F81-P121 HydrophobicContact CG-CG 4.27Å
82L97.2Very high95.3Very high0 Ų048.2 Ų48.20%027%0.265CS..Hα-helixtrans-60.9-37.6177.7-75.3174.3000112.4L5 F56 V58 L65 A67 V78 F79 E80 C86L5-L82 HydrophobicContact CD1-CD2 3.95Å; F56-L82 HydrophobicContact CB-CD1 4.44Å; V58-L82 HydrophobicContact CG1-CD1 4.31Å; V58-L82 HydrophobicContact CG2-CB 4.23Å; V58-L82 HydrophobicContact CG2-CD1 4.41Å; L65-L82 HydrophobicContact CB-CD2 4.23Å; A67-L82 HydrophobicContact CB-CD1 4.19Å; A67-L82 HydrophobicContact CB-CD2 4.21Å; A67-L82 HydrophobicContact CB-CG 4.39Å; V78-L82 HydrophobicContact CG1-CD1 4.28Å; V78-L82 WeakPolarHBondContact O-CG 3.21Å; V78-L82 PolarHBondContact O-N 2.99Å; F79-L82 HydrophobicContact CD1-CD1 4.35Å; F79-L82 PolarHBondContact O-N 3.43Å; E80-L82 PolarHBondContact O-N 3.14Å; L82-C86 PolarHBondContact O-N 3.44Å; L82-C86 PolarHBondContact O-SG 3.19Å
83Y95.9Very high95.1Very high88 Ų8841.3 Ų41.335%0.34523%0.227SC..Hα-helixtrans-69.6-44.2175.1-64.2-43000111.5V58 F79 E80 F81 M85 C86 D87V58-Y83 HydrophobicContact CB-CE1 4.36Å; V58-Y83 HydrophobicContact CG1-CD1 4.46Å; V58-Y83 HydrophobicContact CG1-CE1 3.72Å; F79-Y83 HydrophobicContact CB-CD2 4.48Å; F79-Y83 HydrophobicContact CB-CE2 4.05Å; F79-Y83 WeakPolarHBondContact O-CD2 2.97Å; F79-Y83 VanDerWaalsContact O-CG 3.3Å; F79-Y83 PolarHBondContact O-N 2.87Å; E80-Y83 PolarHBondContact O-N 3.25Å; F81-Y83 VanDerWaalsContact C-N 3.29Å; F81-Y83 PolarHBondContact O-N 3.04Å; Y83-M85 PolarHBondContact O-N 3.37Å; Y83-C86 WeakPolarHBondContact O-CB 3.29Å; Y83-C86 PolarHBondContact O-N 3.33Å; Y83-C86 VanDerWaalsContact O-N 3.15Å; Y83-D87 PolarHBondContact O-N 3.4Å
84K94.7Very high94.9Very high97 Ų9742.3 Ų42.342%0.42224%0.241SC..Hα-helixtrans-61.9-41.5175.5-71.5-64.7177.7-172.10112.7E80 F81 C86 D87 V88E80-K84 WeakPolarHBondContact O-CB 3.48Å; E80-K84 VanDerWaalsContact O-CG 3.31Å; E80-K84 WeakPolarHBondContact O-CG 3.2Å; E80-K84 PolarHBondContact O-N 2.96Å; F81-K84 PolarHBondContact O-N 2.89Å; K84-C86 VanDerWaalsContact C-N 3.31Å; K84-C86 PolarHBondContact O-N 3.21Å; K84-D87 PolarHBondContact O-N 2.74Å; K84-D87 VanDerWaalsContact O-N 3.13Å; K84-V88 VanDerWaalsContact O-CG2 3.3Å; K84-V88 WeakPolarHBondContact O-CG2 3.16Å; K84-V88 PolarHBondContact O-N 3.26Å
85M95.6Very high94.7Very high1 Ų144.5 Ų44.51%0.00525%0.246CC..Hα-helixtrans-57.2-44.8172.8177.6-166.8154.400111.3L5 I7 L65 F81 Y83 V88 M89 L112 I115L5-M85 HydrophobicContact CD1-SD 3.81Å; L5-M85 HydrophobicContact CD2-CE 3.65Å; L5-M85 HydrophobicContact CD2-SD 3.75Å; L5-M85 HydrophobicContact CG-SD 4.41Å; I7-M85 HydrophobicContact CD1-CE 3.49Å; I7-M85 VanDerWaalsContact CD1-CE 3.49Å; I7-M85 HydrophobicContact CG1-CE 4.1Å; L65-M85 HydrophobicContact CD2-CE 3.65Å; L65-M85 HydrophobicContact CD2-SD 4.03Å; F81-M85 WeakPolarHBondContact O-CB 3.23Å; F81-M85 PolarHBondContact O-N 3.14Å; Y83-M85 PolarHBondContact O-N 3.37Å; M85-V88 PolarHBondContact O-N 2.97Å; M85-M89 HydrophobicContact CE-CE 3.19Å; M85-M89 HydrophobicContact CE-SD 3.86Å; M85-M89 HydrophobicContact CG-CE 4.2Å; M85-M89 HydrophobicContact CG-SD 4.45Å; M85-M89 WeakPolarHBondContact O-CB 3.31Å; M85-M89 VanDerWaalsContact O-CG 3.3Å; M85-M89 WeakPolarHBondContact O-CG 3.46Å; M85-M89 PolarHBondContact O-N 3.45Å; M85-L112 HydrophobicContact CE-CD2 3.95Å; M85-L112 HydrophobicContact CG-CD2 4.36Å; M85-L112 HydrophobicContact SD-CD2 3.89Å; M85-I115 HydrophobicContact CB-CD1 4.3Å; M85-I115 HydrophobicContact CG-CD1 4.23Å
86C95.3Very high94.5Very high3 Ų343.7 Ų43.72%0.0224%0.235CC..Hα-helixtrans-61.6-43.8174.4-66.80000111.9L65 L82 Y83 K84 M89 A90 I96L65-C86 VanDerWaalsContact CD2-SG 3.56Å; L82-C86 PolarHBondContact O-N 3.44Å; L82-C86 PolarHBondContact O-SG 3.19Å; Y83-C86 WeakPolarHBondContact O-CB 3.29Å; Y83-C86 PolarHBondContact O-N 3.33Å; Y83-C86 VanDerWaalsContact O-N 3.15Å; K84-C86 VanDerWaalsContact C-N 3.31Å; K84-C86 PolarHBondContact O-N 3.21Å; C86-M89 PolarHBondContact O-N 2.99Å; C86-A90 WeakPolarHBondContact O-CB 3.16Å; C86-A90 PolarHBondContact O-N 3.27Å; C86-I96 HydrophobicContact CB-CD1 3.71Å
87D93.5Very high94.5Very high89 Ų8942.1 Ų42.148%0.47622%0.221SC..Hα-helixtrans-65.6-41-179.1-67.6-15.7000111.5Y83 K84 A90 A91Y83-D87 PolarHBondContact O-N 3.4Å; K84-D87 PolarHBondContact O-N 2.74Å; K84-D87 VanDerWaalsContact O-N 3.13Å; D87-A90 PolarHBondContact O-N 2.94Å; D87-A91 WeakPolarHBondContact O-CB 3.27Å; D87-A91 PolarHBondContact O-N 2.82Å
88V93.5Very high94.4Very high4 Ų441.7 Ų41.72%0.02422%0.218CC..Hα-helixtrans-61.2-51.9173.8171.80000110.1K84 M85 A90 A91 Y92 L111 S124 L129K84-V88 VanDerWaalsContact O-CG2 3.3Å; K84-V88 WeakPolarHBondContact O-CG2 3.16Å; K84-V88 PolarHBondContact O-N 3.26Å; M85-V88 PolarHBondContact O-N 2.97Å; V88-A90 VanDerWaalsContact C-N 3.28Å; V88-A90 PolarHBondContact O-N 3.35Å; V88-A91 WeakPolarHBondContact O-CB 3.38Å; V88-A91 PolarHBondContact O-N 2.8Å; V88-Y92 HydrophobicContact CG1-CD2 3.92Å; V88-Y92 HydrophobicContact CG1-CE2 3.89Å; V88-Y92 WeakPolarHBondContact O-CD2 3.42Å; V88-Y92 PolarHBondContact O-N 3.23Å; V88-L111 HydrophobicContact CG1-CD1 4.34Å; V88-L111 HydrophobicContact CG1-CD2 4.09Å; V88-S124 WeakPolarHBondContact CG2-O 3.32Å; V88-L129 HydrophobicContact CG1-CD1 3.91Å; V88-L129 HydrophobicContact CG2-CD1 4.3Å
89M94.1Very high94.2Very high4 Ų447.9 Ų47.92%0.0225%0.247CC..Hα-helixtrans-53.1-46.9175.5-79.8-177.8172.300112.1I7 M85 C86 A91 Y92 F93 I96 I108I7-M89 HydrophobicContact CD1-CE 3.89Å; I7-M89 HydrophobicContact CD1-SD 4.49Å; M85-M89 HydrophobicContact CE-CE 3.19Å; M85-M89 HydrophobicContact CE-SD 3.86Å; M85-M89 HydrophobicContact CG-CE 4.2Å; M85-M89 HydrophobicContact CG-SD 4.45Å; M85-M89 WeakPolarHBondContact O-CB 3.31Å; M85-M89 VanDerWaalsContact O-CG 3.3Å; M85-M89 WeakPolarHBondContact O-CG 3.46Å; M85-M89 PolarHBondContact O-N 3.45Å; C86-M89 PolarHBondContact O-N 2.99Å; M89-A91 VanDerWaalsContact C-N 3.29Å; M89-A91 PolarHBondContact O-N 3.18Å; M89-Y92 PolarHBondContact O-N 3.32Å; M89-Y92 VanDerWaalsContact O-N 3.15Å; M89-F93 HydrophobicContact CB-CE1 3.82Å; M89-F93 HydrophobicContact CB-CE2 4.19Å; M89-F93 HydrophobicContact CB-CZ 3.46Å; M89-F93 VanDerWaalsContact CB-CZ 3.46Å; M89-F93 HydrophobicContact CG-CE1 3.91Å; M89-F93 HydrophobicContact CG-CZ 3.7Å; M89-F93 WeakPolarHBondContact O-CD1 3.46Å; M89-F93 WeakPolarHBondContact O-CG 3.4Å; M89-F93 PolarHBondContact O-N 3.35Å; M89-F93 HydrophobicContact SD-CZ 4.15Å; M89-I96 HydrophobicContact CB-CD1 4.19Å; M89-I96 HydrophobicContact CB-CG1 4.31Å; M89-I108 HydrophobicContact CE-CB 4.37Å; M89-I108 HydrophobicContact CE-CD1 4.34Å; M89-I108 HydrophobicContact CE-CG1 4.06Å; M89-I108 HydrophobicContact CE-CG2 3.51Å
90A93.1Very high94.1Very high42 Ų4248.1 Ų48.135%0.34725%0.25SC..Hα-helixtrans-66.8-31.7179.800000113C86 D87 V88 Y92 G94C86-A90 WeakPolarHBondContact O-CB 3.16Å; C86-A90 PolarHBondContact O-N 3.27Å; D87-A90 PolarHBondContact O-N 2.94Å; V88-A90 VanDerWaalsContact C-N 3.28Å; V88-A90 PolarHBondContact O-N 3.35Å; A90-Y92 VanDerWaalsContact C-N 3.34Å; A90-G94 WeakPolarHBondContact CA-O 3.05Å; A90-G94 VanDerWaalsContact CB-O 3.32Å; A90-G94 WeakPolarHBondContact CB-O 3.31Å; A90-G94 WeakPolarHBondContact O-CA 3.15Å; A90-G94 PolarHBondContact O-N 3.05Å
91A90.4Very high94Very high44 Ų4442.7 Ų42.736%0.36422%0.224SC..Hα-helixtrans-72.5-25.1174.500000113.2D87 V88 M89 T126 K130D87-A91 WeakPolarHBondContact O-CB 3.27Å; D87-A91 PolarHBondContact O-N 2.82Å; V88-A91 WeakPolarHBondContact O-CB 3.38Å; V88-A91 PolarHBondContact O-N 2.8Å; M89-A91 VanDerWaalsContact C-N 3.29Å; M89-A91 PolarHBondContact O-N 3.18Å; A91-T126 HydrophobicContact CB-CG2 3.63Å; A91-K130 WeakPolarHBondContact O-CE 3.2Å; A91-K130 PolarHBondContact O-NZ 3.06Å
92Y91.3Very high93.9Very high25 Ų2546.7 Ų46.710%0.09824%0.242CC..Hα-helixtrans-83.6-49.8176-88.6-87000113.2V88 M89 A90 L107 L111 T126 L129 K130 I133V88-Y92 HydrophobicContact CG1-CD2 3.92Å; V88-Y92 HydrophobicContact CG1-CE2 3.89Å; V88-Y92 WeakPolarHBondContact O-CD2 3.42Å; V88-Y92 PolarHBondContact O-N 3.23Å; M89-Y92 PolarHBondContact O-N 3.32Å; M89-Y92 VanDerWaalsContact O-N 3.15Å; A90-Y92 VanDerWaalsContact C-N 3.34Å; Y92-L107 HydrophobicContact CD1-CD1 4.14Å; Y92-L107 HydrophobicContact CD1-CD2 3.99Å; Y92-L107 HydrophobicContact CE1-CD1 4.15Å; Y92-L107 HydrophobicContact CG-CD2 4.24Å; Y92-L111 HydrophobicContact CD2-CD1 3.96Å; Y92-L111 HydrophobicContact CD2-CD2 4.17Å; Y92-L111 HydrophobicContact CE2-CD1 4.18Å; Y92-L111 HydrophobicContact CE2-CD2 3.54Å; Y92-L111 HydrophobicContact CE2-CG 4.49Å; Y92-L111 HydrophobicContact CG-CD1 4.34Å; Y92-T126 HydrophobicContact CE2-CG2 4.25Å; Y92-L129 HydrophobicContact CE2-CB 4.41Å; Y92-L129 WeakPolarHBondContact OH-CB 3.38Å; Y92-L129 PolarHBondContact OH-O 3.04Å; Y92-K130 HydrophobicContact CD1-CG 4.4Å; Y92-K130 HydrophobicContact CE1-CG 3.66Å; Y92-K130 HydrophobicContact CE2-CG 3.99Å; Y92-K130 VanDerWaalsContact CZ-CG 3.44Å; Y92-K130 VanDerWaalsContact OH-CA 3.26Å; Y92-K130 WeakPolarHBondContact OH-CA 3.35Å; Y92-K130 WeakPolarHBondContact OH-CG 3.38Å; Y92-K130 PolarHBondContact OH-N 3.28Å; Y92-K130 VanDerWaalsContact OH-N 3.08Å; Y92-I133 HydrophobicContact CE1-CG2 4.36Å; Y92-I133 WeakPolarHBondContact CE1-O 3.24Å; Y92-I133 PolarHBondContact OH-O 3.08Å
93F92.2Very high93.8Very high28 Ų2852.1 Ų52.112%0.12327%0.271CS..Hα-helixtrans-130.912.7-171.356.4-104.1000114.1M89 K95 I96 N100 N104 L107 I108M89-F93 HydrophobicContact CB-CE1 3.82Å; M89-F93 HydrophobicContact CB-CE2 4.19Å; M89-F93 HydrophobicContact CB-CZ 3.46Å; M89-F93 VanDerWaalsContact CB-CZ 3.46Å; M89-F93 HydrophobicContact CG-CE1 3.91Å; M89-F93 HydrophobicContact CG-CZ 3.7Å; M89-F93 WeakPolarHBondContact O-CD1 3.46Å; M89-F93 WeakPolarHBondContact O-CG 3.4Å; M89-F93 PolarHBondContact O-N 3.35Å; M89-F93 HydrophobicContact SD-CZ 4.15Å; F93-K95 PolarHBondContact O-N 3.22Å; F93-I96 HydrophobicContact CE2-CG1 4.44Å; F93-N100 HydrophobicContact CD2-CB 3.83Å; F93-N100 HydrophobicContact CE2-CB 4.1Å; F93-N100 PolarHBondContact O-ND2 3.19Å; F93-N104 HydrophobicContact CD1-CB 4.17Å; F93-N104 HydrophobicContact CE1-CB 4.45Å; F93-L107 HydrophobicContact CD1-CD2 4.24Å; F93-I108 HydrophobicContact CE1-CD1 4.22Å; F93-I108 HydrophobicContact CE1-CG1 4.07Å; F93-I108 HydrophobicContact CZ-CD1 4.2Å; F93-I108 HydrophobicContact CZ-CG1 4.47Å
94G92Very high93.7Very high38 Ų3849.3 Ų49.339%0.39226%0.262SS..SBendtrans78.1-118.1172.600000113.6A90 I96A90-G94 WeakPolarHBondContact CA-O 3.05Å; A90-G94 VanDerWaalsContact CB-O 3.32Å; A90-G94 WeakPolarHBondContact CB-O 3.31Å; A90-G94 WeakPolarHBondContact O-CA 3.15Å; A90-G94 PolarHBondContact O-N 3.05Å; G94-I96 PolarHBondContact O-N 2.93Å
95K92.3Very high93.6Very high151 Ų15147.7 Ų47.766%0.65726%0.255SS*.SBendtrans-68133.7-173.8-172.6179.2178.1-175.50110.7F93 S97 N100F93-K95 PolarHBondContact O-N 3.22Å; K95-S97 PolarHBondContact O-N 2.9Å; K95-N100 PolarHBondContact O-ND2 3.27Å
96I93.6Very high93.5Very high21 Ų2153.4 Ų53.411%0.10829%0.289CS..  trans-81.998.7171.8-53.7175.1000108.5I63 C86 M89 F93 G94 I101I63-I96 HydrophobicContact CG2-CG2 4.43Å; C86-I96 HydrophobicContact CB-CD1 3.71Å; M89-I96 HydrophobicContact CB-CD1 4.19Å; M89-I96 HydrophobicContact CB-CG1 4.31Å; F93-I96 HydrophobicContact CE2-CG1 4.44Å; G94-I96 PolarHBondContact O-N 2.93Å; I96-I101 HydrophobicContact CG2-CD1 4.05Å; I96-I101 HydrophobicContact CG2-CG1 4.49Å
97S94.9Very high93.4Very high29 Ų2953.8 Ų53.820%0.20329%0.291CS..  trans-125.8163.717666.70000110.3K95 E99 N100 I101K95-S97 PolarHBondContact O-N 2.9Å; S97-E99 VanDerWaalsContact C-N 3.28Å; S97-E99 PolarHBondContact O-N 3.19Å; S97-N100 PolarHBondContact O-N 2.91Å; S97-N100 WeakPolarHBondContact OG-CB 3.38Å; S97-N100 PolarHBondContact OG-N 3.17Å; S97-N100 VanDerWaalsContact OG-N 3.15Å; S97-I101 WeakPolarHBondContact O-CG1 3.2Å; S97-I101 PolarHBondContact O-N 3.45Å
98E95.3Very high93.5Very high53 Ų5349.6 Ų49.625%0.24827%0.269CS..Hα-helixtrans-57.6-43.1175.1179.3169.817000112N9 L15 I63 I101 K102N9-E98 WeakPolarHBondContact CB-OE2 3.09Å; L15-E98 HydrophobicContact CD1-CB 4.23Å; L15-E98 HydrophobicContact CD1-CG 3.99Å; L15-E98 HydrophobicContact CD2-CG 3.85Å; I63-E98 HydrophobicContact CD1-CB 4.04Å; E98-I101 PolarHBondContact O-N 2.86Å; E98-K102 HydrophobicContact CG-CD 4.27Å; E98-K102 WeakPolarHBondContact O-CG 3.31Å; E98-K102 PolarHBondContact O-N 3.4Å; E98-K102 VanDerWaalsContact OE1-CE 3.3Å; E98-K102 WeakPolarHBondContact OE1-CE 3.22Å; E98-K102 IonicContact OE1-NZ 2.68Å; E98-K102 PolarHBondContact OE1-NZ 2.89Å
99E94.3Very high93.6Very high131 Ų13152.9 Ų52.961%0.61228%0.281SS*.Hα-helixtrans-59-49.7175.4-179.1-175.5175.700112S97 I101 K102 N103S97-E99 VanDerWaalsContact C-N 3.28Å; S97-E99 PolarHBondContact O-N 3.19Å; E99-I101 VanDerWaalsContact C-N 3.32Å; E99-I101 PolarHBondContact O-N 3.47Å; E99-K102 PolarHBondContact O-N 2.87Å; E99-K102 VanDerWaalsContact O-N 3.13Å; E99-N103 WeakPolarHBondContact O-CB 3.45Å; E99-N103 VanDerWaalsContact O-CG 3.25Å; E99-N103 PolarHBondContact O-N 3.36Å
100N94.5Very high93.6Very high36 Ų3656.8 Ų56.819%0.19330%0.299CS..Hα-helixtrans-66.5-35.5-178.1-76.7-3.9000112.1F93 K95 S97 N104F93-N100 HydrophobicContact CD2-CB 3.83Å; F93-N100 HydrophobicContact CE2-CB 4.1Å; F93-N100 PolarHBondContact O-ND2 3.19Å; K95-N100 PolarHBondContact O-ND2 3.27Å; S97-N100 PolarHBondContact O-N 2.91Å; S97-N100 WeakPolarHBondContact OG-CB 3.38Å; S97-N100 PolarHBondContact OG-N 3.17Å; S97-N100 VanDerWaalsContact OG-N 3.15Å; N100-N104 WeakPolarHBondContact O-CB 3.42Å; N100-N104 PolarHBondContact O-N 3.5Å; N100-N104 VanDerWaalsContact O-N 3.15Å; N100-N104 PolarHBondContact O-ND2 3.22Å
101I94.6Very high93.7Very high0 Ų054.9 Ų54.90%028%0.283CS..Hα-helixtrans-63.2-45.4173.1-69.4161.8000110.2I7 L15 I16 I63 I96 S97 E98 E99 N103 N104 F105 I108I7-I101 HydrophobicContact CG2-CD1 3.81Å; L15-I101 HydrophobicContact CB-CG2 3.9Å; L15-I101 HydrophobicContact CD1-CB 4.45Å; L15-I101 HydrophobicContact CD1-CD1 3.91Å; L15-I101 HydrophobicContact CD1-CG2 4.33Å; I16-I101 HydrophobicContact CD1-CG2 4.4Å; I16-I101 HydrophobicContact CG1-CG2 3.87Å; I63-I101 HydrophobicContact CD1-CD1 4.12Å; I63-I101 HydrophobicContact CG1-CD1 4.22Å; I63-I101 HydrophobicContact CG2-CD1 3.89Å; I96-I101 HydrophobicContact CG2-CD1 4.05Å; I96-I101 HydrophobicContact CG2-CG1 4.49Å; S97-I101 WeakPolarHBondContact O-CG1 3.2Å; S97-I101 PolarHBondContact O-N 3.45Å; E98-I101 PolarHBondContact O-N 2.86Å; E99-I101 VanDerWaalsContact C-N 3.32Å; E99-I101 PolarHBondContact O-N 3.47Å; I101-N103 PolarHBondContact O-N 2.8Å; I101-N104 CarbonylContact O-C 3.55Å; I101-N104 PolarHBondContact O-N 2.82Å; I101-F105 HydrophobicContact CG2-CE1 3.93Å; I101-F105 HydrophobicContact CG2-CZ 4.25Å; I101-F105 PolarHBondContact O-N 3.35Å; I101-I108 HydrophobicContact CB-CD1 4.16Å; I101-I108 HydrophobicContact CG1-CD1 4.18Å; I101-I108 HydrophobicContact CG2-CD1 3.93Å
102K93.9Very high94Very high97 Ų9752.9 Ų52.942%0.42227%0.266SS..Hα-helixtrans-63.5-42.2179.9-70.7179.6-176.6174.10112.9E98 E99 N104 F105E98-K102 HydrophobicContact CG-CD 4.27Å; E98-K102 WeakPolarHBondContact O-CG 3.31Å; E98-K102 PolarHBondContact O-N 3.4Å; E98-K102 VanDerWaalsContact OE1-CE 3.3Å; E98-K102 WeakPolarHBondContact OE1-CE 3.22Å; E98-K102 IonicContact OE1-NZ 2.68Å; E98-K102 PolarHBondContact OE1-NZ 2.89Å; E99-K102 PolarHBondContact O-N 2.87Å; E99-K102 VanDerWaalsContact O-N 3.13Å; K102-N104 VanDerWaalsContact C-N 3.25Å; K102-N104 PolarHBondContact O-N 3.29Å; K102-F105 HydrophobicContact CB-CD2 4.34Å; K102-F105 HydrophobicContact CB-CE2 3.88Å; K102-F105 HydrophobicContact CG-CE2 3.69Å; K102-F105 HydrophobicContact CG-CZ 4.06Å; K102-F105 WeakPolarHBondContact O-CD2 3.05Å
103N94.4Very high94.1Very high113 Ų11354.8 Ų54.860%0.60428%0.278SS*.Hα-helixtrans-73.2-18.3-178.9-65.5-12.1000113E99 I101E99-N103 WeakPolarHBondContact O-CB 3.45Å; E99-N103 VanDerWaalsContact O-CG 3.25Å; E99-N103 PolarHBondContact O-N 3.36Å; I101-N103 PolarHBondContact O-N 2.8Å
104N94.3Very high94.2Very high30 Ų3057.5 Ų57.516%0.1629%0.292CS..THydrogen-bonded Turntrans-117.824.6-176.6-64.5-87.4000112.8F93 N100 I101 K102 V106 L107 I108 Q135F93-N104 HydrophobicContact CD1-CB 4.17Å; F93-N104 HydrophobicContact CE1-CB 4.45Å; N100-N104 WeakPolarHBondContact O-CB 3.42Å; N100-N104 PolarHBondContact O-N 3.5Å; N100-N104 VanDerWaalsContact O-N 3.15Å; N100-N104 PolarHBondContact O-ND2 3.22Å; I101-N104 CarbonylContact O-C 3.55Å; I101-N104 PolarHBondContact O-N 2.82Å; K102-N104 VanDerWaalsContact C-N 3.25Å; K102-N104 PolarHBondContact O-N 3.29Å; N104-V106 VanDerWaalsContact C-N 3.34Å; N104-V106 PolarHBondContact O-N 2.93Å; N104-L107 HydrophobicContact CB-CB 4.45Å; N104-L107 HydrophobicContact CB-CD2 4.39Å; N104-L107 PolarHBondContact O-N 2.93Å; N104-I108 HydrophobicContact CB-CD1 4.34Å; N104-I108 HydrophobicContact CB-CG1 4.44Å; N104-I108 WeakPolarHBondContact O-CG1 3.27Å; N104-I108 PolarHBondContact O-N 2.86Å; N104-Q135 PolarHBondContact OD1-NE2 3.06Å
105F93.5Very high94.4Very high63 Ų6355.8 Ų55.828%0.27627%0.273SS..Hα-helixtrans-52.9-46.9-174.2-93.8-55.2000114L15 I16 I101 K102 I108 Y109L15-F105 WeakPolarHBondContact O-CE1 3.3Å; L15-F105 WeakPolarHBondContact O-CZ 3.27Å; I16-F105 HydrophobicContact CD1-CD1 3.24Å; I16-F105 HydrophobicContact CD1-CE1 3.31Å; I16-F105 HydrophobicContact CG1-CD1 4.25Å; I16-F105 HydrophobicContact CG1-CE1 3.84Å; I101-F105 HydrophobicContact CG2-CE1 3.93Å; I101-F105 HydrophobicContact CG2-CZ 4.25Å; I101-F105 PolarHBondContact O-N 3.35Å; K102-F105 HydrophobicContact CB-CD2 4.34Å; K102-F105 HydrophobicContact CB-CE2 3.88Å; K102-F105 HydrophobicContact CG-CE2 3.69Å; K102-F105 HydrophobicContact CG-CZ 4.06Å; K102-F105 WeakPolarHBondContact O-CD2 3.05Å; F105-I108 PolarHBondContact O-N 3.26Å; F105-Y109 HydrophobicContact CD1-CE2 4.21Å; F105-Y109 WeakPolarHBondContact O-CD2 3.36Å; F105-Y109 PolarHBondContact O-N 2.77Å
106V93Very high94.6Very high120 Ų12048.7 Ų48.773%0.72724%0.242SC*.Hα-helixtrans-60.9-51.3-179.2-179.60000110.7N104 I108 Y109 E110N104-V106 VanDerWaalsContact C-N 3.34Å; N104-V106 PolarHBondContact O-N 2.93Å; V106-I108 VanDerWaalsContact C-N 3.28Å; V106-I108 PolarHBondContact O-N 3.46Å; V106-Y109 PolarHBondContact O-N 3.1Å; V106-E110 PolarHBondContact O-N 3.07Å
107L92.7Very high94.6Very high12 Ų1252.5 Ų52.56%0.06326%0.263CS..Hα-helixtrans-56.5-42.3176.4171.968.2000111.9Y92 F93 N104 E110 L111 I133 Q135Y92-L107 HydrophobicContact CD1-CD1 4.14Å; Y92-L107 HydrophobicContact CD1-CD2 3.99Å; Y92-L107 HydrophobicContact CE1-CD1 4.15Å; Y92-L107 HydrophobicContact CG-CD2 4.24Å; F93-L107 HydrophobicContact CD1-CD2 4.24Å; N104-L107 HydrophobicContact CB-CB 4.45Å; N104-L107 HydrophobicContact CB-CD2 4.39Å; N104-L107 PolarHBondContact O-N 2.93Å; L107-E110 PolarHBondContact O-N 3.17Å; L107-L111 HydrophobicContact CD1-CD1 4.02Å; L107-L111 HydrophobicContact CD1-CG 4.03Å; L107-L111 HydrophobicContact CD2-CD1 4.42Å; L107-L111 HydrophobicContact CG-CD1 3.85Å; L107-L111 HydrophobicContact CG-CG 4.28Å; L107-L111 WeakPolarHBondContact O-CB 3.03Å; L107-L111 VanDerWaalsContact O-CG 3.24Å; L107-L111 WeakPolarHBondContact O-CG 3.48Å; L107-L111 PolarHBondContact O-N 3.32Å; L107-I133 HydrophobicContact CD1-CG2 3.33Å; L107-Q135 HydrophobicContact CD2-CG 3.69Å; L107-Q135 VanDerWaalsContact CD2-NE2 3.28Å
108I95.5Very high94.6Very high0 Ų056.3 Ų56.30%028%0.276CS..Hα-helixtrans-65.2-41.7-179-68.3169000110.7I16 M89 F93 I101 N104 F105 V106 L111 L112I16-I108 HydrophobicContact CD1-CB 4.1Å; I16-I108 HydrophobicContact CD1-CG2 3.58Å; I16-I108 HydrophobicContact CG1-CG2 3.97Å; M89-I108 HydrophobicContact CE-CB 4.37Å; M89-I108 HydrophobicContact CE-CD1 4.34Å; M89-I108 HydrophobicContact CE-CG1 4.06Å; M89-I108 HydrophobicContact CE-CG2 3.51Å; F93-I108 HydrophobicContact CE1-CD1 4.22Å; F93-I108 HydrophobicContact CE1-CG1 4.07Å; F93-I108 HydrophobicContact CZ-CD1 4.2Å; F93-I108 HydrophobicContact CZ-CG1 4.47Å; I101-I108 HydrophobicContact CB-CD1 4.16Å; I101-I108 HydrophobicContact CG1-CD1 4.18Å; I101-I108 HydrophobicContact CG2-CD1 3.93Å; N104-I108 HydrophobicContact CB-CD1 4.34Å; N104-I108 HydrophobicContact CB-CG1 4.44Å; N104-I108 WeakPolarHBondContact O-CG1 3.27Å; N104-I108 PolarHBondContact O-N 2.86Å; F105-I108 PolarHBondContact O-N 3.26Å; V106-I108 VanDerWaalsContact C-N 3.28Å; V106-I108 PolarHBondContact O-N 3.46Å; I108-L111 PolarHBondContact O-N 3.25Å; I108-L112 HydrophobicContact CG2-CD1 3.98Å; I108-L112 HydrophobicContact CG2-CG 4.23Å; I108-L112 VanDerWaalsContact O-CB 3.31Å; I108-L112 WeakPolarHBondContact O-CB 3.08Å; I108-L112 WeakPolarHBondContact O-CG 3.21Å; I108-L112 PolarHBondContact O-N 3.15Å
109Y95.6Very high94.5Very high74 Ų7453.8 Ų53.829%0.2926%0.264SS..Hα-helixtrans-63.6-43.8176.3-79.9-63.8000112I16 F105 V106 L112 D113I16-Y109 HydrophobicContact CD1-CE2 4.04Å; I16-Y109 HydrophobicContact CG2-CE1 4.2Å; F105-Y109 HydrophobicContact CD1-CE2 4.21Å; F105-Y109 WeakPolarHBondContact O-CD2 3.36Å; F105-Y109 PolarHBondContact O-N 2.77Å; V106-Y109 PolarHBondContact O-N 3.1Å; Y109-L112 PolarHBondContact O-N 3.03Å; Y109-D113 PolarHBondContact O-N 3.11Å
110E94.6Very high94.5Very high85 Ų8553 Ų5340%0.39726%0.257SS..Hα-helixtrans-60.8-46.5175.9-171.9177.6-167.700111.8V106 L107 L112 D113 E114 I133V106-E110 PolarHBondContact O-N 3.07Å; L107-E110 PolarHBondContact O-N 3.17Å; E110-L112 VanDerWaalsContact C-N 3.34Å; E110-L112 PolarHBondContact O-N 3.07Å; E110-D113 PolarHBondContact O-N 2.85Å; E110-E114 PolarHBondContact O-N 2.94Å; E110-E114 VanDerWaalsContact O-N 3.08Å; E110-I133 HydrophobicContact CG-CD1 4.24Å; E110-I133 HydrophobicContact CG-CG1 4.15Å; E110-I133 HydrophobicContact CG-CG2 4.22Å
111L95.1Very high94.6Very high3 Ų353.4 Ų53.42%0.01626%0.261CS..Hα-helixtrans-60-44.5175.3-74171.2000111.9V88 Y92 L107 I108 D113 E114 I115 L129 I133V88-L111 HydrophobicContact CG1-CD1 4.34Å; V88-L111 HydrophobicContact CG1-CD2 4.09Å; Y92-L111 HydrophobicContact CD2-CD1 3.96Å; Y92-L111 HydrophobicContact CD2-CD2 4.17Å; Y92-L111 HydrophobicContact CE2-CD1 4.18Å; Y92-L111 HydrophobicContact CE2-CD2 3.54Å; Y92-L111 HydrophobicContact CE2-CG 4.49Å; Y92-L111 HydrophobicContact CG-CD1 4.34Å; L107-L111 HydrophobicContact CD1-CD1 4.02Å; L107-L111 HydrophobicContact CD1-CG 4.03Å; L107-L111 HydrophobicContact CD2-CD1 4.42Å; L107-L111 HydrophobicContact CG-CD1 3.85Å; L107-L111 HydrophobicContact CG-CG 4.28Å; L107-L111 WeakPolarHBondContact O-CB 3.03Å; L107-L111 VanDerWaalsContact O-CG 3.24Å; L107-L111 WeakPolarHBondContact O-CG 3.48Å; L107-L111 PolarHBondContact O-N 3.32Å; I108-L111 PolarHBondContact O-N 3.25Å; L111-D113 VanDerWaalsContact C-N 3.33Å; L111-E114 PolarHBondContact O-N 3.39Å; L111-I115 WeakPolarHBondContact O-CG1 3.04Å; L111-I115 WeakPolarHBondContact O-CG2 3.4Å; L111-I115 PolarHBondContact O-N 3.43Å; L111-L129 HydrophobicContact CD2-CD1 4.33Å; L111-I133 HydrophobicContact CD2-CB 4.48Å; L111-I133 HydrophobicContact CD2-CD1 3.8Å; L111-I133 HydrophobicContact CD2-CG2 3.94Å; L111-I133 HydrophobicContact CG-CG2 4.22Å
112L96.1Very high94.5Very high1 Ų157.8 Ų57.81%0.00528%0.282CS..Hα-helixtrans-63.1-40.6-178.7-79.6-178.8000112.2L5 I16 R18 Y20 M85 I108 Y109 E110 E114 I115 L116L5-L112 HydrophobicContact CD2-CD1 4.23Å; L5-L112 HydrophobicContact CD2-CD2 3.98Å; I16-L112 HydrophobicContact CG2-CD1 3.74Å; R18-L112 HydrophobicContact CB-CD1 3.98Å; R18-L112 HydrophobicContact CG-CB 4.5Å; R18-L112 HydrophobicContact CG-CD1 4.43Å; Y20-L112 WeakPolarHBondContact OH-CB 3.48Å; Y20-L112 PolarHBondContact OH-O 2.99Å; M85-L112 HydrophobicContact CE-CD2 3.95Å; M85-L112 HydrophobicContact CG-CD2 4.36Å; M85-L112 HydrophobicContact SD-CD2 3.89Å; I108-L112 HydrophobicContact CG2-CD1 3.98Å; I108-L112 HydrophobicContact CG2-CG 4.23Å; I108-L112 VanDerWaalsContact O-CB 3.31Å; I108-L112 WeakPolarHBondContact O-CB 3.08Å; I108-L112 WeakPolarHBondContact O-CG 3.21Å; I108-L112 PolarHBondContact O-N 3.15Å; Y109-L112 PolarHBondContact O-N 3.03Å; E110-L112 VanDerWaalsContact C-N 3.34Å; E110-L112 PolarHBondContact O-N 3.07Å; L112-E114 VanDerWaalsContact C-N 3.33Å; L112-I115 HydrophobicContact CD2-CD1 4.46Å; L112-L116 PolarHBondContact O-N 3.04Å; L112-L116 VanDerWaalsContact O-N 3.12Å
113D94.1Very high94.1Very high66 Ų6656.4 Ų56.435%0.35328%0.279SS..Hα-helixtrans-68.5-34.2177.8-72.9-16.9000112.3R18 Y109 E110 L111R18-D113 VanDerWaalsContact CZ-CG 3.5Å; R18-D113 IonicContact CZ-OD1 3.7Å; R18-D113 IonicContact CZ-OD2 3.42Å; R18-D113 VanDerWaalsContact CZ-OD2 3.22Å; R18-D113 IonicContact NE-OD1 2.93Å; R18-D113 PolarHBondContact NE-OD1 3.46Å; R18-D113 IonicContact NE-OD2 3.22Å; R18-D113 IonicContact NH1-OD2 3.76Å; R18-D113 IonicContact NH2-OD1 2.67Å; R18-D113 PolarHBondContact NH2-OD1 3.14Å; R18-D113 IonicContact NH2-OD2 2.69Å; R18-D113 PolarHBondContact NH2-OD2 3.06Å; Y109-D113 PolarHBondContact O-N 3.11Å; E110-D113 PolarHBondContact O-N 2.85Å; L111-D113 VanDerWaalsContact C-N 3.33Å
114E93.7Very high93.9Very high85 Ų8552.4 Ų52.440%0.39726%0.259SS..Hα-helixtrans-75.9-43.2177.5-170.263.7-155.600112.7E110 L111 L112 Q122 L129 F132 I133E110-E114 PolarHBondContact O-N 2.94Å; E110-E114 VanDerWaalsContact O-N 3.08Å; L111-E114 PolarHBondContact O-N 3.39Å; L112-E114 VanDerWaalsContact C-N 3.33Å; E114-Q122 WeakPolarHBondContact O-CB 3.47Å; E114-L129 HydrophobicContact CB-CD2 4.43Å; E114-L129 HydrophobicContact CG-CD2 3.67Å; E114-F132 HydrophobicContact CG-CE2 3.77Å; E114-F132 HydrophobicContact CG-CZ 4.11Å; E114-I133 HydrophobicContact CB-CD1 3.85Å; E114-I133 HydrophobicContact CG-CD1 4.05Å
115I95.9Very high93.5Very high2 Ų252.5 Ų52.51%0.0126%0.259CS..Hα-helixtrans-85.5-9.7-173.872.7-173.3000113.5F81 M85 L111 L112 Q122 L129F81-I115 HydrophobicContact CE2-CB 4.44Å; F81-I115 HydrophobicContact CE2-CD1 4.13Å; F81-I115 HydrophobicContact CE2-CG1 3.86Å; F81-I115 HydrophobicContact CZ-CD1 4.25Å; F81-I115 HydrophobicContact CZ-CG1 4.09Å; M85-I115 HydrophobicContact CB-CD1 4.3Å; M85-I115 HydrophobicContact CG-CD1 4.23Å; L111-I115 WeakPolarHBondContact O-CG1 3.04Å; L111-I115 WeakPolarHBondContact O-CG2 3.4Å; L111-I115 PolarHBondContact O-N 3.43Å; L112-I115 HydrophobicContact CD2-CD1 4.46Å; I115-Q122 PolarHBondContact O-N 2.93Å; I115-L129 HydrophobicContact CG2-CD1 3.73Å; I115-L129 HydrophobicContact CG2-CD2 4.14Å
116L96.4Very high93.2Very high1 Ų151.1 Ų51.11%0.00526%0.256CS..EExtended strand (participates in β ladder)trans-148.498.1-178.1-169.568.8000110.7I2 Y20 F81 L112 G119 P121I2-L116 HydrophobicContact CB-CD2 4.37Å; I2-L116 HydrophobicContact CD1-CD1 4.26Å; I2-L116 HydrophobicContact CD1-CD2 4.33Å; I2-L116 HydrophobicContact CG2-CD2 4.23Å; Y20-L116 WeakPolarHBondContact CD1-O 3.42Å; Y20-L116 HydrophobicContact CD2-CD2 3.75Å; Y20-L116 HydrophobicContact CD2-CG 4.43Å; Y20-L116 HydrophobicContact CE1-CB 4.2Å; Y20-L116 HydrophobicContact CE1-CD2 4.24Å; Y20-L116 HydrophobicContact CE1-CG 4.19Å; Y20-L116 WeakPolarHBondContact CE1-O 3.41Å; Y20-L116 HydrophobicContact CE2-CD2 3.27Å; Y20-L116 HydrophobicContact CE2-CG 4.09Å; Y20-L116 HydrophobicContact CG-CD2 4.41Å; F81-L116 HydrophobicContact CE1-CD1 4.28Å; F81-L116 HydrophobicContact CE1-CD2 3.73Å; F81-L116 HydrophobicContact CE1-CG 4.46Å; F81-L116 HydrophobicContact CE2-CB 4.04Å; F81-L116 HydrophobicContact CE2-CD1 4.08Å; F81-L116 HydrophobicContact CE2-CG 4.47Å; F81-L116 HydrophobicContact CZ-CB 3.71Å; F81-L116 HydrophobicContact CZ-CD1 3.96Å; F81-L116 HydrophobicContact CZ-CD2 3.67Å; F81-L116 HydrophobicContact CZ-CG 4Å; L112-L116 PolarHBondContact O-N 3.04Å; L112-L116 VanDerWaalsContact O-N 3.12Å; L116-G119 VanDerWaalsContact CD1-C 3.5Å; L116-P121 HydrophobicContact CD1-CB 4.28Å; L116-P121 HydrophobicContact CD1-CG 3.88Å
117D95Very high92.5Very high102 Ų10247.3 Ų47.355%0.54524%0.241SC..EExtended strand (participates in β ladder)trans-101.5126178-176.819.4000110.8G119 Y120 Q122D117-G119 PolarHBondContact O-N 2.68Å; D117-Y120 PolarHBondContact N-O 2.97Å; D117-Y120 VanDerWaalsContact N-O 3.1Å; D117-Y120 WeakPolarHBondContact O-CA 3.47Å; D117-Y120 WeakPolarHBondContact O-CB 3.41Å; D117-Y120 WeakPolarHBondContact O-CD2 3.49Å; D117-Y120 PolarHBondContact O-N 3.26Å; D117-Q122 HydrophobicContact CB-CG 4.1Å
118F94.4Very high92Very high108 Ų10846.9 Ų46.947%0.47424%0.239SC..THydrogen-bonded Turntrans44.541.3-178.3-161.3-123000111.3Y20 R21 Y120Y20-F118 WeakPolarHBondContact O-CD2 3.43Å; Y20-F118 WeakPolarHBondContact O-CE2 3.37Å; R21-F118 PolarHBondContact NH1-O 3.32Å; R21-F118 VanDerWaalsContact NH2-CE1 3.25Å; R21-F118 PolarHBondContact NH2-O 3.31Å; F118-Y120 VanDerWaalsContact C-N 3.26Å; F118-Y120 HydrophobicContact CB-CD2 4.31Å; F118-Y120 HydrophobicContact CD1-CD2 4.48Å; F118-Y120 AromaticContact CD1-CE2 3.95Å; F118-Y120 HydrophobicContact CD1-CE2 3.95Å; F118-Y120 WeakPolarHBondContact O-CD2 3.45Å; F118-Y120 WeakPolarHBondContact O-CE2 3.06Å; F118-Y120 PolarHBondContact O-N 3.11Å
119G92.8Very high91.6Very high0 Ų047 Ų470%024%0.24CC..THydrogen-bonded Turntrans77.2-1.517900000116.4M1 I2 L116 D117 P121M1-G119 WeakPolarHBondContact CB-O 3.45Å; M1-G119 WeakPolarHBondContact CE-O 3.21Å; I2-G119 PolarHBondContact N-O 3.15Å; I2-G119 WeakPolarHBondContact O-CA 3.35Å; L116-G119 VanDerWaalsContact CD1-C 3.5Å; D117-G119 PolarHBondContact O-N 2.68Å; G119-P121 WeakPolarHBondContact O-CD 3.45Å
120Y94.7Very high91.1Very high116 Ų11648.1 Ų48.146%0.45525%0.246SC..EExtended strand (participates in β ladder)trans-90.7114.4175.8-63.4-91.3000109.9M1 D117 F118 Q122M1-Y120 HydrophobicContact CB-CE1 4.49Å; M1-Y120 HydrophobicContact CB-CE2 4.49Å; M1-Y120 HydrophobicContact CE-CD1 3.75Å; M1-Y120 HydrophobicContact CE-CE1 4.35Å; M1-Y120 HydrophobicContact CE-CG 4.25Å; M1-Y120 HydrophobicContact CG-CD1 3.59Å; M1-Y120 HydrophobicContact CG-CD2 4.32Å; M1-Y120 HydrophobicContact CG-CE1 3.34Å; M1-Y120 HydrophobicContact CG-CE2 4.09Å; M1-Y120 HydrophobicContact CG-CG 4.06Å; M1-Y120 HydrophobicContact SD-CD1 4.22Å; M1-Y120 HydrophobicContact SD-CE1 4.22Å; D117-Y120 PolarHBondContact N-O 2.97Å; D117-Y120 VanDerWaalsContact N-O 3.1Å; D117-Y120 WeakPolarHBondContact O-CA 3.47Å; D117-Y120 WeakPolarHBondContact O-CB 3.41Å; D117-Y120 WeakPolarHBondContact O-CD2 3.49Å; D117-Y120 PolarHBondContact O-N 3.26Å; F118-Y120 VanDerWaalsContact C-N 3.26Å; F118-Y120 HydrophobicContact CB-CD2 4.31Å; F118-Y120 HydrophobicContact CD1-CD2 4.48Å; F118-Y120 AromaticContact CD1-CE2 3.95Å; F118-Y120 HydrophobicContact CD1-CE2 3.95Å; F118-Y120 WeakPolarHBondContact O-CD2 3.45Å; F118-Y120 WeakPolarHBondContact O-CE2 3.06Å; F118-Y120 PolarHBondContact O-N 3.11Å; Y120-Q122 PolarHBondContact O-N 2.99Å; Y120-Q122 PolarHBondContact O-NE2 2.94Å
121P95.6Very high90.4Very high43 Ų4345.3 Ų45.328%0.27923%0.234SC..EExtended strand (participates in β ladder)trans-58.9126.7176.3-26.235.7000110.5M1 M77 F81 L116 G119M1-P121 VanDerWaalsContact CE-CD 3.48Å; M77-P121 HydrophobicContact SD-CG 4.49Å; F81-P121 HydrophobicContact CB-CG 4.34Å; F81-P121 HydrophobicContact CD2-CB 3.88Å; F81-P121 HydrophobicContact CD2-CG 4.16Å; F81-P121 HydrophobicContact CE2-CB 4.5Å; F81-P121 HydrophobicContact CG-CB 4.45Å; F81-P121 HydrophobicContact CG-CG 4.27Å; L116-P121 HydrophobicContact CD1-CB 4.28Å; L116-P121 HydrophobicContact CD1-CG 3.88Å; G119-P121 WeakPolarHBondContact O-CD 3.45Å
122Q93.5Very high89.8Confident93 Ų9347.6 Ų47.644%0.43525%0.245SC..  trans-99.8-171.8177.1-57.7-57-29.900110.2E114 I115 D117 Y120 S124E114-Q122 WeakPolarHBondContact O-CB 3.47Å; I115-Q122 PolarHBondContact O-N 2.93Å; D117-Q122 HydrophobicContact CB-CG 4.1Å; Y120-Q122 PolarHBondContact O-N 2.99Å; Y120-Q122 PolarHBondContact O-NE2 2.94Å; Q122-S124 PolarHBondContact O-N 2.8Å; Q122-S124 VanDerWaalsContact O-N 3.16Å
123N86.1Confident89.3Confident68 Ų6847.7 Ų47.736%0.36425%0.245SC..  trans-64.5114.7176.8-172.4-17.5000110.7E125N123-E125 WeakPolarHBondContact OD1-CB 3.46Å; N123-E125 WeakPolarHBondContact OD1-CG 3.36Å; N123-E125 PolarHBondContact OD1-N 3.35Å
124S89.9Confident88.6Confident28 Ų2847.8 Ų47.820%0.19625%0.248CC..  trans-105.729.2179.575.50000112.9V88 Q122 T126V88-S124 WeakPolarHBondContact CG2-O 3.32Å; Q122-S124 PolarHBondContact O-N 2.8Å; Q122-S124 VanDerWaalsContact O-N 3.16Å; S124-T126 PolarHBondContact O-N 2.87Å
125E86.3Confident87.5Confident32 Ų3248.8 Ų48.815%0.1525%0.253CS..  trans-74.2107.5178.2-76.5-139.6-131.100111.8N123 G127 A128 L129 W159 Q248N123-E125 WeakPolarHBondContact OD1-CB 3.46Å; N123-E125 WeakPolarHBondContact OD1-CG 3.36Å; N123-E125 PolarHBondContact OD1-N 3.35Å; E125-G127 PolarHBondContact O-N 3.25Å; E125-G127 VanDerWaalsContact O-N 3.07Å; E125-A128 HydrophobicContact CB-CB 4.33Å; E125-A128 PolarHBondContact O-N 3.06Å; E125-L129 WeakPolarHBondContact O-CG 3.3Å; E125-L129 PolarHBondContact O-N 3.33Å; E125-W159 PolarHBondContact OE1-N 3.24Å; E125-W159 WeakPolarHBondContact OE2-CA 3.43Å; E125-W159 WeakPolarHBondContact OE2-CB 3.34Å; E125-Q248 PolarHBondContact OE1-NE2 2.8Å; E125-Q248 PolarHBondContact OE2-NE2 2.91Å
126T85.8Confident86Confident34 Ų3456.7 Ų56.721%0.20929%0.289CS..Hα-helixtrans-52.9-35.6-178.6-48.10000113.6A91 Y92 S124 A128 L129 K130A91-T126 HydrophobicContact CB-CG2 3.63Å; Y92-T126 HydrophobicContact CE2-CG2 4.25Å; S124-T126 PolarHBondContact O-N 2.87Å; T126-A128 VanDerWaalsContact C-N 3.29Å; T126-A128 PolarHBondContact O-N 2.85Å; T126-L129 PolarHBondContact O-N 2.85Å; T126-K130 HydrophobicContact CG2-CD 3.91Å; T126-K130 HydrophobicContact CG2-CG 4.05Å; T126-K130 WeakPolarHBondContact O-CB 3.36Å; T126-K130 WeakPolarHBondContact O-CG 3.4Å; T126-K130 PolarHBondContact O-N 3.27Å
127G79.4Confident83.7Confident40 Ų4060 Ų6041%0.41232%0.324SS..Hα-helixtrans-65.9-30.617900000113.5E125 T131 Q152E125-G127 PolarHBondContact O-N 3.25Å; E125-G127 VanDerWaalsContact O-N 3.07Å; G127-T131 WeakPolarHBondContact O-CG2 3.48Å; G127-Q152 PolarHBondContact O-NE2 3.13Å
128A81.4Confident81.4Confident3 Ų363.1 Ų63.13%0.02534%0.339CS..Hα-helixtrans-81.1-50.2171.200000110.3E125 T126 K130 T131 F132 V153E125-A128 HydrophobicContact CB-CB 4.33Å; E125-A128 PolarHBondContact O-N 3.06Å; T126-A128 VanDerWaalsContact C-N 3.29Å; T126-A128 PolarHBondContact O-N 2.85Å; A128-K130 VanDerWaalsContact C-N 3.27Å; A128-K130 PolarHBondContact O-N 3.25Å; A128-K130 VanDerWaalsContact O-N 3.17Å; A128-T131 PolarHBondContact O-N 2.96Å; A128-T131 PolarHBondContact O-OG1 3.23Å; A128-F132 VanDerWaalsContact O-CD1 3.31Å; A128-F132 WeakPolarHBondContact O-CD1 3.35Å; A128-F132 WeakPolarHBondContact O-CE1 3.46Å; A128-V153 HydrophobicContact CB-CG2 4.44Å
129L86.9Confident79.5Confident3 Ų366.8 Ų66.82%0.01636%0.355CS..Hα-helixtrans-54.2-42.5-177.9-62.9172.5000112.4V88 Y92 L111 E114 I115 E125 T126 T131 F132 I133V88-L129 HydrophobicContact CG1-CD1 3.91Å; V88-L129 HydrophobicContact CG2-CD1 4.3Å; Y92-L129 HydrophobicContact CE2-CB 4.41Å; Y92-L129 WeakPolarHBondContact OH-CB 3.38Å; Y92-L129 PolarHBondContact OH-O 3.04Å; L111-L129 HydrophobicContact CD2-CD1 4.33Å; E114-L129 HydrophobicContact CB-CD2 4.43Å; E114-L129 HydrophobicContact CG-CD2 3.67Å; I115-L129 HydrophobicContact CG2-CD1 3.73Å; I115-L129 HydrophobicContact CG2-CD2 4.14Å; E125-L129 WeakPolarHBondContact O-CG 3.3Å; E125-L129 PolarHBondContact O-N 3.33Å; T126-L129 PolarHBondContact O-N 2.85Å; L129-T131 PolarHBondContact O-N 3.39Å; L129-T131 VanDerWaalsContact O-N 3.1Å; L129-F132 HydrophobicContact CD2-CE2 4.34Å; L129-F132 HydrophobicContact CD2-CZ 3.87Å; L129-F132 PolarHBondContact O-N 2.87Å; L129-I133 HydrophobicContact CD2-CD1 4.21Å; L129-I133 WeakPolarHBondContact O-CB 3.38Å; L129-I133 PolarHBondContact O-N 2.84Å
130K85.9Confident77.7Confident98 Ų9872.4 Ų72.443%0.42639%0.394SS..Hα-helixtrans-66.8-10.4-177.3-80-174.7174.9-171.80114.7A91 Y92 T126 A128A91-K130 WeakPolarHBondContact O-CE 3.2Å; A91-K130 PolarHBondContact O-NZ 3.06Å; Y92-K130 HydrophobicContact CD1-CG 4.4Å; Y92-K130 HydrophobicContact CE1-CG 3.66Å; Y92-K130 HydrophobicContact CE2-CG 3.99Å; Y92-K130 VanDerWaalsContact CZ-CG 3.44Å; Y92-K130 VanDerWaalsContact OH-CA 3.26Å; Y92-K130 WeakPolarHBondContact OH-CA 3.35Å; Y92-K130 WeakPolarHBondContact OH-CG 3.38Å; Y92-K130 PolarHBondContact OH-N 3.28Å; Y92-K130 VanDerWaalsContact OH-N 3.08Å; T126-K130 HydrophobicContact CG2-CD 3.91Å; T126-K130 HydrophobicContact CG2-CG 4.05Å; T126-K130 WeakPolarHBondContact O-CB 3.36Å; T126-K130 WeakPolarHBondContact O-CG 3.4Å; T126-K130 PolarHBondContact O-N 3.27Å; A128-K130 VanDerWaalsContact C-N 3.27Å; A128-K130 PolarHBondContact O-N 3.25Å; A128-K130 VanDerWaalsContact O-N 3.17Å
131T80.1Confident76.2Confident25 Ų2570.5 Ų70.515%0.15339%0.389CS..Hα-helixtrans-81.9-27.8177.765.40000112.2G127 A128 L129 Q141G127-T131 WeakPolarHBondContact O-CG2 3.48Å; A128-T131 PolarHBondContact O-N 2.96Å; A128-T131 PolarHBondContact O-OG1 3.23Å; L129-T131 PolarHBondContact O-N 3.39Å; L129-T131 VanDerWaalsContact O-N 3.1Å; T131-Q141 PolarHBondContact O-NE2 3.11Å
132F82.1Confident75.1Confident52 Ų5271.9 Ų71.923%0.22840%0.397CS..Hα-helixtrans-121.3-22.4-17857-90.5000114.3E114 A128 L129 I149 V153E114-F132 HydrophobicContact CG-CE2 3.77Å; E114-F132 HydrophobicContact CG-CZ 4.11Å; A128-F132 VanDerWaalsContact O-CD1 3.31Å; A128-F132 WeakPolarHBondContact O-CD1 3.35Å; A128-F132 WeakPolarHBondContact O-CE1 3.46Å; L129-F132 HydrophobicContact CD2-CE2 4.34Å; L129-F132 HydrophobicContact CD2-CZ 3.87Å; L129-F132 PolarHBondContact O-N 2.87Å; F132-I149 HydrophobicContact CB-CD1 4.47Å; F132-I149 HydrophobicContact CB-CG2 4.23Å; F132-I149 HydrophobicContact CD1-CG2 3.64Å; F132-I149 HydrophobicContact CE1-CG2 4.4Å; F132-I149 HydrophobicContact CG-CG2 4.28Å; F132-V153 HydrophobicContact CE1-CG2 3.84Å
133I86Confident74.1Confident3 Ų376.2 Ų76.22%0.01541%0.414CS..SBendtrans-99.2102.4170.7-60.5176.5000108Y92 L107 E110 L111 E114 L129Y92-I133 HydrophobicContact CE1-CG2 4.36Å; Y92-I133 WeakPolarHBondContact CE1-O 3.24Å; Y92-I133 PolarHBondContact OH-O 3.08Å; L107-I133 HydrophobicContact CD1-CG2 3.33Å; E110-I133 HydrophobicContact CG-CD1 4.24Å; E110-I133 HydrophobicContact CG-CG1 4.15Å; E110-I133 HydrophobicContact CG-CG2 4.22Å; L111-I133 HydrophobicContact CD2-CB 4.48Å; L111-I133 HydrophobicContact CD2-CD1 3.8Å; L111-I133 HydrophobicContact CD2-CG2 3.94Å; L111-I133 HydrophobicContact CG-CG2 4.22Å; E114-I133 HydrophobicContact CB-CD1 3.85Å; E114-I133 HydrophobicContact CG-CD1 4.05Å; L129-I133 HydrophobicContact CD2-CD1 4.21Å; L129-I133 WeakPolarHBondContact O-CB 3.38Å; L129-I133 PolarHBondContact O-N 2.84Å
134T79.6Confident73.5Confident67 Ų6780 Ų8041%0.41143%0.43SS..  trans-118.6136.6-175.661.40000112.2Q136T134-Q136 PolarHBondContact O-N 2.81Å; T134-Q136 PolarHBondContact OG1-O 3.09Å
135Q70.4Confident72.7Confident106 Ų10683 Ų8350%0.49544%0.44SS..SBendtrans-70.8-20.9170-76.4-179.3-13.100113.1N104 L107N104-Q135 PolarHBondContact OD1-NE2 3.06Å; L107-Q135 HydrophobicContact CD2-CG 3.69Å; L107-Q135 VanDerWaalsContact CD2-NE2 3.28Å
136Q63Low72Confident168 Ų16886.2 Ų86.279%0.78546%0.456SS*.SBendtrans-86.7139.4176-62.5-175.3-200108.5T134T134-Q136 PolarHBondContact O-N 2.81Å; T134-Q136 PolarHBondContact OG1-O 3.09Å
137G48.6Very low71.4Confident70 Ų7088 Ų8872%0.72247%0.469SS*.  trans-52.4153.5-175.400000113.1K139G137-K139 PolarHBondContact O-N 3.24Å
138I47.9Very low71.2Confident168 Ų16892.2 Ų92.286%0.86248%0.478SS*.  trans-5298-173.7-54.4-177000110
139K54Low70.8Confident186 Ų18693.3 Ų93.381%0.80948%0.484SS*.  trans-74.6127.9162.8-124.2-178.1179.6-175.20105.8G137 Q141G137-K139 PolarHBondContact O-N 3.24Å; K139-Q141 PolarHBondContact O-N 2.98Å
140S54Low70.3Confident118 Ų11897 Ų9783%0.82551%0.507SS*.  trans-54.3105.9176.1-530000109.4
141Q64.2Low69.8Low75 Ų7595.6 Ų95.635%0.3551%0.509SS..  trans-71133.8177.1-73.1-177.4-8.100109T131 K139 E145 Q146T131-Q141 PolarHBondContact O-NE2 3.11Å; K139-Q141 PolarHBondContact O-N 2.98Å; Q141-E145 WeakPolarHBondContact CA-OE2 3.26Å; Q141-Q146 HydrophobicContact CB-CG 4.14Å
142T72.9Confident69.6Low72 Ų7295.3 Ų95.344%0.44251%0.506SS..  trans-69.8155.6173.158.50000110.5E144 E145 Q146T142-E144 PolarHBondContact O-N 2.95Å; T142-E144 VanDerWaalsContact O-N 3.15Å; T142-E145 PolarHBondContact N-OE2 2.99Å; T142-E145 PolarHBondContact O-N 3.37Å; T142-E145 VanDerWaalsContact O-N 3.11Å; T142-E145 VanDerWaalsContact OG1-CD 3.31Å; T142-E145 VanDerWaalsContact OG1-CG 3.27Å; T142-E145 WeakPolarHBondContact OG1-CG 3.41Å; T142-E145 PolarHBondContact OG1-N 2.87Å; T142-E145 PolarHBondContact OG1-OE2 3.48Å; T142-Q146 PolarHBondContact O-N 3.29Å; T142-Q146 VanDerWaalsContact O-N 3.07Å
143K71.8Confident69.2Low185 Ų18595.5 Ų95.580%0.80451%0.511SS*.Hα-helixtrans-56.4-30.1175.1-79-174.6176.1-179.40112.7S147K143-S147 PolarHBondContact O-N 3.24Å; K143-S147 VanDerWaalsContact O-N 3.14Å
144E72.9Confident68.8Low147 Ų147100.6 Ų100.669%0.68754%0.542SS*.Hα-helixtrans-71.9-40.9177.5-67.1174.1-175.700112T142 S147 Q148T142-E144 PolarHBondContact O-N 2.95Å; T142-E144 VanDerWaalsContact O-N 3.15Å; E144-S147 PolarHBondContact O-N 3.26Å; E144-S147 PolarHBondContact O-OG 3.44Å; E144-Q148 WeakPolarHBondContact O-CG 3.3Å; E144-Q148 PolarHBondContact O-N 2.8Å; E144-Q148 VanDerWaalsContact O-N 3.11Å
145E72.7Confident68.6Low90 Ų9099 Ų9942%0.42154%0.54SS..Hα-helixtrans-64.3-41.1173.5-74164.8148.700111.2Q141 T142 S147 Q148 I149Q141-E145 WeakPolarHBondContact CA-OE2 3.26Å; T142-E145 PolarHBondContact N-OE2 2.99Å; T142-E145 PolarHBondContact O-N 3.37Å; T142-E145 VanDerWaalsContact O-N 3.11Å; T142-E145 VanDerWaalsContact OG1-CD 3.31Å; T142-E145 VanDerWaalsContact OG1-CG 3.27Å; T142-E145 WeakPolarHBondContact OG1-CG 3.41Å; T142-E145 PolarHBondContact OG1-N 2.87Å; T142-E145 PolarHBondContact OG1-OE2 3.48Å; E145-S147 PolarHBondContact O-N 2.93Å; E145-Q148 PolarHBondContact O-N 2.89Å; E145-I149 VanDerWaalsContact O-CG1 3.22Å; E145-I149 WeakPolarHBondContact O-CG1 3.36Å; E145-I149 PolarHBondContact O-N 3.41Å
146Q72.8Confident68.9Low101 Ų101103.1 Ų103.147%0.47256%0.559SS.*Hα-helixtrans-62.5-40.6177.3-70.8-178.9-14.700112.7Q141 T142 I149 T150Q141-Q146 HydrophobicContact CB-CG 4.14Å; T142-Q146 PolarHBondContact O-N 3.29Å; T142-Q146 VanDerWaalsContact O-N 3.07Å; Q146-I149 PolarHBondContact O-N 3.22Å; Q146-T150 WeakPolarHBondContact O-CB 3.33Å; Q146-T150 PolarHBondContact O-N 3.48Å; Q146-T150 PolarHBondContact O-OG1 3.3Å
147S73.8Confident69.9Low71 Ų7197.3 Ų97.350%0.49753%0.533SS..Hα-helixtrans-69.6-35.817869.50000112.3K143 E144 E145 T150 S151K143-S147 PolarHBondContact O-N 3.24Å; K143-S147 VanDerWaalsContact O-N 3.14Å; E144-S147 PolarHBondContact O-N 3.26Å; E144-S147 PolarHBondContact O-OG 3.44Å; E145-S147 PolarHBondContact O-N 2.93Å; S147-T150 PolarHBondContact O-N 2.97Å; S147-S151 WeakPolarHBondContact O-CB 3.37Å; S147-S151 PolarHBondContact O-N 3.08Å; S147-S151 PolarHBondContact O-OG 2.84Å
148Q74.1Confident71.6Confident128 Ų12894.3 Ų94.360%0.59850%0.502SS*.Hα-helixtrans-66.7-39.6173.1-73.2179.111.300112.9E144 E145 S151 Q152E144-Q148 WeakPolarHBondContact O-CG 3.3Å; E144-Q148 PolarHBondContact O-N 2.8Å; E144-Q148 VanDerWaalsContact O-N 3.11Å; E145-Q148 PolarHBondContact O-N 2.89Å; Q148-S151 PolarHBondContact O-N 3.2Å; Q148-S151 PolarHBondContact O-OG 2.88Å; Q148-Q152 WeakPolarHBondContact O-CB 3.5Å; Q148-Q152 PolarHBondContact O-N 3.42Å
149I73.9Confident73.5Confident27 Ų2788.5 Ų88.514%0.13847%0.469CS..Hα-helixtrans-64.5-47.2175.7-68.2165000109.8F132 E145 Q146 S151 Q152 V153F132-I149 HydrophobicContact CB-CD1 4.47Å; F132-I149 HydrophobicContact CB-CG2 4.23Å; F132-I149 HydrophobicContact CD1-CG2 3.64Å; F132-I149 HydrophobicContact CE1-CG2 4.4Å; F132-I149 HydrophobicContact CG-CG2 4.28Å; E145-I149 VanDerWaalsContact O-CG1 3.22Å; E145-I149 WeakPolarHBondContact O-CG1 3.36Å; E145-I149 PolarHBondContact O-N 3.41Å; Q146-I149 PolarHBondContact O-N 3.22Å; I149-S151 VanDerWaalsContact C-N 3.33Å; I149-S151 PolarHBondContact O-N 3.28Å; I149-Q152 PolarHBondContact O-N 3.15Å; I149-V153 HydrophobicContact CG2-CG2 4.44Å; I149-V153 WeakPolarHBondContact O-CG2 3.43Å; I149-V153 PolarHBondContact O-N 2.94Å
150T74.9Confident75.2Confident81 Ų8180 Ų8050%0.49743%0.432SS..Hα-helixtrans-57.8-47.8178.5-53.50000110.5Q146 S147 Q152 V153 T154Q146-T150 WeakPolarHBondContact O-CB 3.33Å; Q146-T150 PolarHBondContact O-N 3.48Å; Q146-T150 PolarHBondContact O-OG1 3.3Å; S147-T150 PolarHBondContact O-N 2.97Å; T150-Q152 VanDerWaalsContact C-N 3.31Å; T150-Q152 PolarHBondContact O-N 3.06Å; T150-V153 PolarHBondContact O-N 2.84Å; T150-T154 HydrophobicContact CG2-CG2 4.22Å; T150-T154 WeakPolarHBondContact O-CG2 3.32Å; T150-T154 PolarHBondContact O-N 3.45Å; T150-T154 PolarHBondContact O-OG1 3.04Å
151S76.5Confident76.6Confident68 Ų6880.4 Ų80.448%0.47642%0.415SS..Hα-helixtrans-65.8-31.1-179.870.20000113.4S147 Q148 I149 G155S147-S151 WeakPolarHBondContact O-CB 3.37Å; S147-S151 PolarHBondContact O-N 3.08Å; S147-S151 PolarHBondContact O-OG 2.84Å; Q148-S151 PolarHBondContact O-N 3.2Å; Q148-S151 PolarHBondContact O-OG 2.88Å; I149-S151 VanDerWaalsContact C-N 3.33Å; I149-S151 PolarHBondContact O-N 3.28Å; S151-G155 WeakPolarHBondContact O-CA 3.41Å; S151-G155 PolarHBondContact O-N 2.96Å
152Q74.9Confident77.7Confident19 Ų1983.1 Ų83.19%0.08943%0.428CS..Hα-helixtrans-69-41.7173.4-173.4-173.3-9.500111.8G127 Q148 I149 T150 R161G127-Q152 PolarHBondContact O-NE2 3.13Å; Q148-Q152 WeakPolarHBondContact O-CB 3.5Å; Q148-Q152 PolarHBondContact O-N 3.42Å; I149-Q152 PolarHBondContact O-N 3.15Å; T150-Q152 VanDerWaalsContact C-N 3.31Å; T150-Q152 PolarHBondContact O-N 3.06Å; Q152-R161 VanDerWaalsContact CD-CG 3.42Å; Q152-R161 HydrophobicContact CG-CG 4.4Å; Q152-R161 VanDerWaalsContact NE2-CG 3.32Å; Q152-R161 VanDerWaalsContact OE1-CG 3.29Å
153V74.8Confident78.4Confident55 Ų5582.6 Ų82.633%0.33344%0.437SS..Hα-helixtrans-74.1-41.2-178174.80000111.5A128 F132 I149 T150A128-V153 HydrophobicContact CB-CG2 4.44Å; F132-V153 HydrophobicContact CE1-CG2 3.84Å; I149-V153 HydrophobicContact CG2-CG2 4.44Å; I149-V153 WeakPolarHBondContact O-CG2 3.43Å; I149-V153 PolarHBondContact O-N 2.94Å; T150-V153 PolarHBondContact O-N 2.84Å
154T77.6Confident79.3Confident110 Ų11074.9 Ų74.968%0.67540%0.404SS*.Hα-helixtrans-89-10.6-179.7660000113.4T150T150-T154 HydrophobicContact CG2-CG2 4.22Å; T150-T154 WeakPolarHBondContact O-CG2 3.32Å; T150-T154 PolarHBondContact O-N 3.45Å; T150-T154 PolarHBondContact O-OG1 3.04Å
155G75.6Confident80.3Confident35 Ų3576.1 Ų76.136%0.36141%0.407SS..SBendtrans-72.8159.7-176.800000113.1S151 I157S151-G155 WeakPolarHBondContact O-CA 3.41Å; S151-G155 PolarHBondContact O-N 2.96Å; G155-I157 PolarHBondContact O-N 3.22Å
156Q76.5Confident81.4Confident191 Ų19175.5 Ų75.589%0.89340%0.401SS*.SBendtrans-66.4-17.4178.2-162.7-178.88.900113.1
157I84.6Confident82.5Confident46 Ų4682.3 Ų82.324%0.23642%0.423CS..  trans-121.196.7-179.1-57.8170.6000108.8G155 W159 R160 M207 I264G155-I157 PolarHBondContact O-N 3.22Å; I157-W159 HydrophobicContact CG1-CZ2 4.48Å; I157-W159 HydrophobicContact CG2-CD2 4.14Å; I157-W159 HydrophobicContact CG2-CG 4.39Å; I157-W159 HydrophobicContact CG2-CZ2 4.04Å; I157-R160 HydrophobicContact CG2-CB 4.25Å; I157-M207 HydrophobicContact CB-CE 4.28Å; I157-M207 HydrophobicContact CD1-CE 3.89Å; I157-M207 HydrophobicContact CG2-CE 3.83Å; I157-I264 HydrophobicContact CD1-CD1 3.44Å; I157-I264 VanDerWaalsContact CD1-CD1 3.44Å
158G83.3Confident83.5Confident7 Ų786.8 Ų86.87%0.07243%0.429CS..  trans-82.3-23179.700000114.7
159W87.4Confident84.6Confident47 Ų4781.9 Ų81.918%0.17841%0.407CS..SBendtrans-91.6-3.4-168.657.479.7000115.8E125 I157 Q248 C249 I264 P266E125-W159 PolarHBondContact OE1-N 3.24Å; E125-W159 WeakPolarHBondContact OE2-CA 3.43Å; E125-W159 WeakPolarHBondContact OE2-CB 3.34Å; I157-W159 HydrophobicContact CG1-CZ2 4.48Å; I157-W159 HydrophobicContact CG2-CD2 4.14Å; I157-W159 HydrophobicContact CG2-CG 4.39Å; I157-W159 HydrophobicContact CG2-CZ2 4.04Å; W159-Q248 HydrophobicContact CD2-CG 4.48Å; W159-Q248 HydrophobicContact CE3-CG 3.85Å; W159-Q248 HydrophobicContact CZ3-CG 4.16Å; W159-C249 HydrophobicContact CD2-CB 4.05Å; W159-C249 VanDerWaalsContact CE2-CB 3.46Å; W159-C249 HydrophobicContact CG-CB 4.29Å; W159-C249 VanDerWaalsContact CZ2-CA 3.46Å; W159-C249 HydrophobicContact CZ2-CB 3.84Å; W159-C249 VanDerWaalsContact NE1-CB 3.3Å; W159-I264 PolarHBondContact NE1-O 3.29Å; W159-P266 HydrophobicContact CB-CG 4.12Å; W159-P266 HydrophobicContact CG-CG 4.21Å
160R89.8Confident85.7Confident6 Ų683.1 Ų83.12%0.02341%0.412CS..SBendtrans-143.9132179.7-168.8-174.9-179.568.89.2111.1I157 I164 L204 G206 M207 I264 P265 D267I157-R160 HydrophobicContact CG2-CB 4.25Å; R160-I164 HydrophobicContact CG-CD1 4.2Å; R160-L204 PolarHBondContact NH2-O 2.78Å; R160-G206 VanDerWaalsContact CZ-O 3.26Å; R160-G206 PolarHBondContact NE-O 3.41Å; R160-G206 PolarHBondContact NH2-O 2.74Å; R160-M207 HydrophobicContact CB-CE 4.11Å; R160-M207 HydrophobicContact CB-SD 4.07Å; R160-M207 VanDerWaalsContact CD-SD 3.55Å; R160-M207 HydrophobicContact CG-CE 4.33Å; R160-M207 HydrophobicContact CG-SD 3.65Å; R160-I264 HydrophobicContact CB-CG2 4.37Å; R160-P265 WeakPolarHBondContact CD-O 3.44Å; R160-P265 PolarHBondContact NH1-O 2.65Å; R160-D267 IonicContact NH1-OD1 2.7Å
161R84.4Confident86.7Confident127 Ų12779.2 Ų79.248%0.47939%0.388SS..  trans-85.8143.6178.4-67.5-175.1-67.1174.40.2111.8Q152 I164 M207Q152-R161 VanDerWaalsContact CD-CG 3.42Å; Q152-R161 HydrophobicContact CG-CG 4.4Å; Q152-R161 VanDerWaalsContact NE2-CG 3.32Å; Q152-R161 VanDerWaalsContact OE1-CG 3.29Å; R161-I164 HydrophobicContact CB-CD1 4.22Å; R161-I164 HydrophobicContact CB-CG1 4.31Å; R161-I164 VanDerWaalsContact O-CD1 3.32Å; R161-I164 WeakPolarHBondContact O-CD1 3.46Å; R161-I164 WeakPolarHBondContact O-CG1 3.3Å; R161-M207 VanDerWaalsContact O-SD 3.42Å
162E85.9Confident87.8Confident133 Ų13378.7 Ų78.762%0.62138%0.377SS*.THydrogen-bonded Turntrans-69.2158.5167.3-61.5-154.6134.900110.9I164 M207 K408E162-I164 VanDerWaalsContact C-N 3.3Å; E162-I164 PolarHBondContact O-N 2.68Å; E162-M207 HydrophobicContact CG-CG 4Å; E162-M207 HydrophobicContact CG-SD 4.26Å; E162-K408 IonicContact OE1-NZ 2.76Å; E162-K408 PolarHBondContact OE1-NZ 2.75Å
163G87.4Confident88.8Confident60 Ų6078 Ų7862%0.61937%0.374SS*.THydrogen-bonded Turntrans78.51.2173.600000116.5K165G163-K165 PolarHBondContact O-N 2.9Å
164I91.8Very high89.9Confident23 Ų2375.9 Ų75.912%0.11836%0.361CS..  trans-57.1132.7173.2-62172000109.5R160 R161 E162 Y166 L204 S205 G206 D267R160-I164 HydrophobicContact CG-CD1 4.2Å; R161-I164 HydrophobicContact CB-CD1 4.22Å; R161-I164 HydrophobicContact CB-CG1 4.31Å; R161-I164 VanDerWaalsContact O-CD1 3.32Å; R161-I164 WeakPolarHBondContact O-CD1 3.46Å; R161-I164 WeakPolarHBondContact O-CG1 3.3Å; E162-I164 VanDerWaalsContact C-N 3.3Å; E162-I164 PolarHBondContact O-N 2.68Å; I164-Y166 HydrophobicContact CG2-CD2 3.91Å; I164-Y166 HydrophobicContact CG2-CE2 3.44Å; I164-Y166 VanDerWaalsContact CG2-CE2 3.44Å; I164-L204 WeakPolarHBondContact CG2-O 3.18Å; I164-S205 CarbonylContact O-C 3.58Å; I164-S205 VanDerWaalsContact O-CA 3.22Å; I164-S205 WeakPolarHBondContact O-CA 3.37Å; I164-G206 PolarHBondContact O-N 3.19Å; I164-D267 HydrophobicContact CD1-CB 3.81Å
165K94.4Very high90.9Very high173 Ų17370.7 Ų70.775%0.75233%0.329SS*.  trans-133.9132178.2-72-176.9-179.4179.50110.6G163G163-K165 PolarHBondContact O-N 2.9Å
166Y95.7Very high92Very high77 Ų7770.4 Ų70.430%0.30232%0.319SS..  trans-118.6148.5170.4-72.2-83.5000110.4I164 R168 Y203 L204 S205 D267I164-Y166 HydrophobicContact CG2-CD2 3.91Å; I164-Y166 HydrophobicContact CG2-CE2 3.44Å; I164-Y166 VanDerWaalsContact CG2-CE2 3.44Å; Y166-R168 VanDerWaalsContact CB-O 3.31Å; Y166-R168 WeakPolarHBondContact CB-O 3.35Å; Y166-R168 PolarHBondContact O-N 2.85Å; Y166-Y203 AromaticContact CE1-CD1 3.72Å; Y166-Y203 HydrophobicContact CE1-CD1 3.72Å; Y166-Y203 HydrophobicContact CE1-CG 4.24Å; Y166-Y203 AromaticContact CZ-CD1 3.79Å; Y166-L204 VanDerWaalsContact CD2-C 3.44Å; Y166-L204 VanDerWaalsContact CD2-O 3.29Å; Y166-L204 WeakPolarHBondContact CD2-O 3.1Å; Y166-L204 WeakPolarHBondContact CE2-O 3.1Å; Y166-S205 PolarHBondContact N-OG 3.39Å; Y166-S205 PolarHBondContact O-OG 3.15Å; Y166-D267 WeakPolarHBondContact CE2-OD1 3.38Å; Y166-D267 VanDerWaalsContact OH-CG 3.27Å; Y166-D267 PolarHBondContact OH-OD1 2.85Å; Y166-D267 VanDerWaalsContact OH-OD1 3.07Å; Y166-D267 PolarHBondContact OH-OD2 3.36Å
167R94.5Very high93Very high245 Ų24561.3 Ų61.393%0.92528%0.276SS*.SBendtrans-64.5-31.5172.2-175.4177.6176.3178.70.5111.8
168R95.2Very high93.7Very high165 Ų16560.1 Ų60.162%0.62327%0.273SS*.SBendtrans-140.1136176.1-69.9-175.6177.8169.4-1.1108.8Y166 E170Y166-R168 VanDerWaalsContact CB-O 3.31Å; Y166-R168 WeakPolarHBondContact CB-O 3.35Å; Y166-R168 PolarHBondContact O-N 2.85Å; R168-E170 HydrophobicContact CB-CG 4.31Å
169N97.4Very high94.3Very high24 Ų2459.8 Ų59.813%0.12827%0.269CS..EExtended strand (participates in β ladder)trans-87.6118.1177.1-63.1-51.2000109.3Y203 L204 S205 V416 I417N169-Y203 CarbonylContact C-O 3.58Å; N169-Y203 VanDerWaalsContact CA-O 3.3Å; N169-Y203 WeakPolarHBondContact CA-O 3.32Å; N169-L204 HydrophobicContact CB-CD2 3.82Å; N169-S205 WeakPolarHBondContact OD1-CB 3.37Å; N169-S205 PolarHBondContact OD1-N 2.88Å; N169-S205 PolarHBondContact OD1-OG 3.15Å; N169-V416 HydrophobicContact CB-CB 4.5Å; N169-V416 HydrophobicContact CB-CG1 4.48Å; N169-V416 HydrophobicContact CB-CG2 3.94Å; N169-V416 WeakPolarHBondContact O-CA 3.45Å; N169-I417 PolarHBondContact O-N 2.84Å
170E97.3Very high94.8Very high53 Ų5358.6 Ų58.625%0.24827%0.266CS..EExtended strand (participates in β ladder)trans-135.8140.6-175.2-56.3-172.614400111.4R168 F172 Y203 I417R168-E170 HydrophobicContact CB-CG 4.31Å; E170-F172 HydrophobicContact CB-CE2 3.79Å; E170-F172 HydrophobicContact CB-CZ 4.25Å; E170-Y203 PolarHBondContact N-O 3.28Å; E170-Y203 PolarHBondContact O-N 2.98Å; E170-I417 CarbonylContact C-O 3.6Å; E170-I417 WeakPolarHBondContact CA-O 3.42Å; E170-I417 HydrophobicContact CG-CB 4.26Å
171L96.6Very high95.1Very high0 Ų058.5 Ų58.50%027%0.266CS..EExtended strand (participates in β ladder)trans-128.4133.1175.5-68.3179.4000110.7M200 K201 S202 L204 L402 V404 V416 I417 K418 W419L171-M200 HydrophobicContact CB-CE 4.47Å; L171-M200 HydrophobicContact CD1-CE 3.71Å; L171-M200 HydrophobicContact CD2-CE 3.24Å; L171-M200 HydrophobicContact CG-CE 3.98Å; L171-K201 WeakPolarHBondContact CA-O 3.47Å; L171-S202 WeakPolarHBondContact CD2-OG 3.39Å; L171-L204 HydrophobicContact CD1-CD1 4.08Å; L171-L204 HydrophobicContact CD1-CD2 4.38Å; L171-L204 HydrophobicContact CD2-CD1 3.67Å; L171-L204 HydrophobicContact CD2-CD2 3.96Å; L171-L204 HydrophobicContact CD2-CG 3.63Å; L171-L204 HydrophobicContact CG-CD1 4.15Å; L171-L204 HydrophobicContact CG-CD2 3.93Å; L171-L204 HydrophobicContact CG-CG 4.15Å; L171-L402 HydrophobicContact CB-CD2 4.2Å; L171-L402 HydrophobicContact CD1-CD2 3.64Å; L171-L402 HydrophobicContact CD1-CG 4.32Å; L171-V404 HydrophobicContact CD1-CG2 3.42Å; L171-V404 VanDerWaalsContact CD1-CG2 3.42Å; L171-V416 HydrophobicContact CD1-CG1 4.06Å; L171-V416 HydrophobicContact CG-CG1 3.96Å; L171-I417 PolarHBondContact N-O 2.85Å; L171-K418 HydrophobicContact CB-CG 4.47Å; L171-K418 CarbonylContact O-C 3.57Å; L171-K418 WeakPolarHBondContact O-CA 3.44Å; L171-W419 PolarHBondContact O-N 2.63Å
172F97.9Very high95.7Very high57 Ų5754.6 Ų54.625%0.2525%0.254CS..EExtended strand (participates in β ladder)trans-121.6126.9174.8-54.9-96.3000109.4E170 M200 K201 Y203 W419E170-F172 HydrophobicContact CB-CE2 3.79Å; E170-F172 HydrophobicContact CB-CZ 4.25Å; F172-M200 CarbonylContact O-C 3.33Å; F172-M200 WeakPolarHBondContact O-CA 3.45Å; F172-K201 HydrophobicContact CB-CB 4.15Å; F172-K201 HydrophobicContact CB-CG 4.5Å; F172-K201 HydrophobicContact CD2-CB 4.31Å; F172-K201 PolarHBondContact N-O 3.43Å; F172-K201 PolarHBondContact O-N 3.01Å; F172-Y203 HydrophobicContact CD2-CD2 4.12Å; F172-Y203 HydrophobicContact CD2-CE2 4.05Å; F172-Y203 AromaticContact CE2-CD2 3.87Å; F172-Y203 HydrophobicContact CE2-CD2 3.87Å; F172-Y203 AromaticContact CE2-CE2 3.97Å; F172-Y203 HydrophobicContact CE2-CE2 3.97Å; F172-W419 HydrophobicContact CD1-CB 3.61Å; F172-W419 AromaticContact CD1-CD1 3.55Å; F172-W419 AromaticContact CD1-CG 3.71Å; F172-W419 HydrophobicContact CD1-CG 3.71Å; F172-W419 HydrophobicContact CE1-CB 4.14Å; F172-W419 AromaticContact CE1-CD1 3.2Å; F172-W419 HydrophobicContact CE1-CD2 4.48Å; F172-W419 AromaticContact CE1-CG 3.7Å; F172-W419 HydrophobicContact CE1-CG 3.7Å; F172-W419 AromaticContact CE1-NE1 3.72Å; F172-W419 HydrophobicContact CG-CB 4.38Å; F172-W419 AromaticContact CZ-CD1 3.84Å
173L97.6Very high96.1Very high4 Ų448.5 Ų48.52%0.02123%0.226CC..EExtended strand (participates in β ladder)trans-113.1127.1175.5-68.3-177.6000111V198 M200 F212 V399 L402 W419 V420 R421L173-V198 HydrophobicContact CD2-CG1 4.17Å; L173-M200 HydrophobicContact CD2-CB 3.74Å; L173-M200 HydrophobicContact CD2-CG 3.68Å; L173-M200 HydrophobicContact CD2-SD 3.95Å; L173-F212 HydrophobicContact CD1-CD2 4.1Å; L173-F212 HydrophobicContact CD1-CE2 3.93Å; L173-V399 HydrophobicContact CD1-CG1 4.27Å; L173-V399 HydrophobicContact CD1-CG2 4.4Å; L173-L402 HydrophobicContact CD1-CD2 3.81Å; L173-L402 HydrophobicContact CG-CD2 4.16Å; L173-W419 PolarHBondContact N-O 2.84Å; L173-V420 HydrophobicContact CB-CB 4.34Å; L173-V420 HydrophobicContact CB-CG2 4.17Å; L173-V420 CarbonylContact O-C 3.43Å; L173-V420 VanDerWaalsContact O-CA 3.29Å; L173-V420 WeakPolarHBondContact O-CA 3.23Å; L173-R421 PolarHBondContact O-N 2.88Å
174D97.9Very high96.3Very high11 Ų1146 Ų466%0.05920%0.199CC..EExtended strand (participates in β ladder)trans-113.5108175-64.1-12.8000108.9L176 V198 V199 R421D174-L176 HydrophobicContact CB-CD2 4.14Å; D174-L176 HydrophobicContact CB-CG 4.08Å; D174-L176 PolarHBondContact O-N 2.6Å; D174-V198 WeakPolarHBondContact O-CA 3.34Å; D174-V199 HydrophobicContact CB-CB 4.2Å; D174-V199 PolarHBondContact N-O 3.41Å; D174-V199 PolarHBondContact O-N 3.05Å; D174-R421 HydrophobicContact CB-CG 4.4Å; D174-R421 WeakPolarHBondContact OD1-CD 3.49Å; D174-R421 WeakPolarHBondContact OD1-CG 3.28Å; D174-R421 IonicContact OD1-CZ 3.22Å; D174-R421 IonicContact OD1-NE 2.74Å; D174-R421 PolarHBondContact OD1-NE 2.9Å; D174-R421 IonicContact OD1-NH2 3.63Å; D174-R421 IonicContact OD2-CZ 2.7Å; D174-R421 IonicContact OD2-NE 3.07Å; D174-R421 PolarHBondContact OD2-NE 2.8Å; D174-R421 IonicContact OD2-NH2 3.97Å; D174-R421 PolarHBondContact OD2-NH2 3.14Å
175V98.1Very high95.9Very high0 Ų047.3 Ų47.30%021%0.209CC..EExtended strand (participates in β ladder)trans-87.4102.5169.9-178.60000107.5E177 Y275 A393 L397 V399 V420 R421 Y422 I423V175-E177 HydrophobicContact CG1-CG 4.33Å; V175-Y275 VanDerWaalsContact CG1-OH 3.25Å; V175-Y275 WeakPolarHBondContact CG1-OH 3.28Å; V175-A393 HydrophobicContact CG1-CB 4.38Å; V175-L397 HydrophobicContact CG1-CD2 3.86Å; V175-L397 HydrophobicContact CG2-CD2 4.03Å; V175-V399 HydrophobicContact CG2-CG2 4.16Å; V175-V420 HydrophobicContact CG2-CG2 4.48Å; V175-R421 PolarHBondContact N-O 2.8Å; V175-Y422 HydrophobicContact CB-CD1 3.57Å; V175-Y422 HydrophobicContact CB-CE1 4Å; V175-Y422 HydrophobicContact CB-CG 4.38Å; V175-Y422 HydrophobicContact CG1-CD1 3.87Å; V175-Y422 HydrophobicContact CG1-CE1 4.29Å; V175-Y422 HydrophobicContact CG2-CD1 3.85Å; V175-Y422 HydrophobicContact CG2-CE1 3.72Å; V175-I423 PolarHBondContact O-N 2.78Å
176L98.3Very high95.4Very high29 Ų2946.6 Ų46.615%0.15221%0.208CC..EExtended strand (participates in β ladder)trans-107.1120-175.8-56.5178.8000109.9D174 G196 R197 V199 I423D174-L176 HydrophobicContact CB-CD2 4.14Å; D174-L176 HydrophobicContact CB-CG 4.08Å; D174-L176 PolarHBondContact O-N 2.6Å; L176-G196 CarbonylContact O-C 3.59Å; L176-G196 WeakPolarHBondContact O-CA 3.33Å; L176-R197 HydrophobicContact CB-CG 3.94Å; L176-R197 PolarHBondContact N-O 2.95Å; L176-R197 PolarHBondContact O-N 3.06Å; L176-V199 HydrophobicContact CD1-CG2 4.02Å; L176-I423 WeakPolarHBondContact CA-O 3.33Å; L176-I423 HydrophobicContact CD2-CB 3.81Å; L176-I423 HydrophobicContact CD2-CD1 3.88Å; L176-I423 HydrophobicContact CD2-CG1 4.14Å
177E98Very high94.8Very high0 Ų043.5 Ų43.50%020%0.2CC..EExtended strand (participates in β ladder)trans-123.9134.1-175.4-68.5-165.3160.600112.2V175 V194 Y275 A393 P394 S395 I423 G424 R425V175-E177 HydrophobicContact CG1-CG 4.33Å; E177-V194 HydrophobicContact CB-CG1 3.75Å; E177-V194 HydrophobicContact CG-CG1 3.94Å; E177-Y275 WeakPolarHBondContact CG-OH 3.21Å; E177-Y275 WeakPolarHBondContact OE1-CE2 3.33Å; E177-Y275 PolarHBondContact OE1-OH 2.92Å; E177-A393 HydrophobicContact CG-CB 4.47Å; E177-A393 WeakPolarHBondContact OE2-CA 3.45Å; E177-A393 WeakPolarHBondContact OE2-CB 3.15Å; E177-P394 WeakPolarHBondContact OE2-CD 3.19Å; E177-S395 VanDerWaalsContact CD-OG 3.27Å; E177-S395 VanDerWaalsContact OE1-CB 3.28Å; E177-S395 WeakPolarHBondContact OE1-CB 3.39Å; E177-S395 PolarHBondContact OE1-OG 2.86Å; E177-S395 PolarHBondContact OE2-N 2.85Å; E177-S395 PolarHBondContact OE2-OG 2.78Å; E177-I423 PolarHBondContact N-O 3.44Å; E177-G424 CarbonylContact O-C 3.5Å; E177-G424 WeakPolarHBondContact O-CA 3.47Å; E177-R425 VanDerWaalsContact O-CG 3.31Å; E177-R425 WeakPolarHBondContact O-CG 3.19Å; E177-R425 PolarHBondContact O-N 2.78Å
178S98Very high94.6Very high22 Ų2238.2 Ų38.215%0.15419%0.186CC..EExtended strand (participates in β ladder)trans-109.8115.1175.3-161.60000109.5V194 S195 R425 G427S178-V194 WeakPolarHBondContact O-CA 3.3Å; S178-S195 PolarHBondContact N-O 2.7Å; S178-S195 PolarHBondContact O-N 3.38Å; S178-R425 CarbonylContact C-O 3.54Å; S178-R425 WeakPolarHBondContact CA-O 3.46Å; S178-G427 WeakPolarHBondContact OG-CA 3.38Å; S178-G427 PolarHBondContact OG-N 2.71Å
179V97.3Very high94.6Very high0 Ų033.2 Ų33.20%017%0.173CC..EExtended strand (participates in β ladder)trans-85.8115.5177-169.60000109.4V194 L283 P394 R425 G427 Y429V179-V194 HydrophobicContact CG2-CG2 4.36Å; V179-L283 HydrophobicContact CG1-CD2 4.22Å; V179-P394 HydrophobicContact CG2-CB 3.43Å; V179-P394 VanDerWaalsContact CG2-CB 3.43Å; V179-P394 HydrophobicContact CG2-CG 3.28Å; V179-R425 PolarHBondContact N-O 2.86Å; V179-G427 PolarHBondContact O-N 2.86Å; V179-Y429 HydrophobicContact CB-CD2 4.33Å; V179-Y429 HydrophobicContact CG1-CD2 4.1Å; V179-Y429 HydrophobicContact CG1-CE2 3.95Å
180N97.3Very high94.4Very high22 Ų2236 Ų3612%0.11819%0.188CC..EExtended strand (participates in β ladder)trans-100.2125.4170.8-59.1-50.3000108.3A192 H193 G427 I428N180-A192 VanDerWaalsContact O-CA 3.28Å; N180-A192 WeakPolarHBondContact O-CA 3.44Å; N180-H193 WeakPolarHBondContact CB-CE1 3.49Å; N180-H193 PolarHBondContact N-O 2.97Å; N180-H193 PolarHBondContact ND2-CD2 2.76Å; N180-H193 PolarHBondContact ND2-CE1 3.29Å; N180-H193 PolarHBondContact ND2-NE2 3.15Å; N180-H193 PolarHBondContact O-N 2.92Å; N180-G427 VanDerWaalsContact OD1-CA 3.3Å; N180-G427 WeakPolarHBondContact OD1-CA 3.27Å; N180-I428 CarbonylContact C-O 3.55Å; N180-I428 VanDerWaalsContact CA-O 3.24Å; N180-I428 WeakPolarHBondContact CA-O 3.47Å; N180-I428 PolarHBondContact OD1-N 3.4Å
181L96.7Very high94.3Very high4 Ų436.3 Ų36.32%0.02120%0.196CC..EExtended strand (participates in β ladder)trans-138.2131.9-178.7-178109.8000109.4M183 V189 S191 A192 L283 I428 Y429 E430L181-M183 HydrophobicContact CD2-CB 3.9Å; L181-V189 HydrophobicContact CD1-CG1 4.14Å; L181-V189 HydrophobicContact CD1-CG2 4.31Å; L181-S191 CarbonylContact C-O 3.54Å; L181-S191 WeakPolarHBondContact CA-O 3.33Å; L181-A192 HydrophobicContact CD1-CB 4.35Å; L181-L283 HydrophobicContact CD1-CD1 3.42Å; L181-L283 VanDerWaalsContact CD1-CD1 3.42Å; L181-L283 HydrophobicContact CD1-CD2 3.44Å; L181-L283 VanDerWaalsContact CD1-CD2 3.44Å; L181-L283 HydrophobicContact CD1-CG 4.01Å; L181-I428 PolarHBondContact N-O 3.31Å; L181-I428 VanDerWaalsContact O-O 3.09Å; L181-Y429 HydrophobicContact CB-CD2 3.59Å; L181-Y429 HydrophobicContact CB-CE2 3.61Å; L181-Y429 HydrophobicContact CB-CG 4.09Å; L181-Y429 HydrophobicContact CD1-CE2 4.41Å; L181-Y429 HydrophobicContact CD2-CD1 4.15Å; L181-Y429 HydrophobicContact CD2-CD2 4.45Å; L181-Y429 HydrophobicContact CD2-CE1 3.73Å; L181-Y429 HydrophobicContact CD2-CE2 4.04Å; L181-Y429 HydrophobicContact CG-CE2 4.23Å; L181-E430 PolarHBondContact O-N 2.81Å
182L96.1Very high94.3Very high44 Ų4437.4 Ų37.423%0.2321%0.205CC..EExtended strand (participates in β ladder)trans-119.3121.3161179.964.3000108.7L190 S191 E430 R432L182-L190 HydrophobicContact CD2-CB 4.39Å; L182-L190 HydrophobicContact CD2-CD1 4.33Å; L182-L190 HydrophobicContact CG-CB 4.28Å; L182-L190 HydrophobicContact CG-CD1 4.24Å; L182-L190 WeakPolarHBondContact O-CA 3.31Å; L182-L190 WeakPolarHBondContact O-CB 3.17Å; L182-L190 PolarHBondContact O-N 3.19Å; L182-S191 PolarHBondContact N-O 2.66Å; L182-S191 PolarHBondContact O-N 2.86Å; L182-S191 VanDerWaalsContact O-N 3.13Å; L182-E430 CarbonylContact C-O 3.41Å; L182-E430 WeakPolarHBondContact CA-O 3.34Å; L182-E430 HydrophobicContact CD1-CB 4.32Å; L182-R432 HydrophobicContact CD1-CG 4.19Å
183M94.4Very high94.2Very high6 Ų637 Ų373%0.0320%0.204CC..EExtended strand (participates in β ladder)trans-116.7143.7179-166.3165.265.200111.3L181 Q188 R286 V287 E430 T431 R432L181-M183 HydrophobicContact CD2-CB 3.9Å; M183-Q188 WeakPolarHBondContact CG-O 3.38Å; M183-R286 HydrophobicContact CE-CG 4.24Å; M183-R286 HydrophobicContact SD-CG 4.42Å; M183-V287 WeakPolarHBondContact CE-O 3.24Å; M183-E430 PolarHBondContact N-O 3.19Å; M183-T431 HydrophobicContact CB-CG2 4.1Å; M183-T431 HydrophobicContact CE-CG2 3.53Å; M183-T431 WeakPolarHBondContact CE-OG1 3.38Å; M183-T431 HydrophobicContact CG-CG2 4.41Å; M183-R432 PolarHBondContact O-N 3.28Å
184S91.4Very high94.2Very high7 Ų736.8 Ų36.85%0.04920%0.203CC..  trans-70163.4172.462.30000111.6Q186 G187 Q188S184-Q186 PolarHBondContact O-N 2.85Å; S184-G187 PolarHBondContact O-N 2.91Å; S184-G187 PolarHBondContact OG-N 3.48Å; S184-Q188 PolarHBondContact N-O 2.91Å; S184-Q188 WeakPolarHBondContact OG-CA 3.42Å; S184-Q188 WeakPolarHBondContact OG-CB 3.35Å; S184-Q188 PolarHBondContact OG-N 3.31Å; S184-Q188 PolarHBondContact OG-O 3.29Å
185P82.9Confident94.2Very high50 Ų5037.7 Ų37.733%0.32521%0.21SC..THydrogen-bonded Turntrans-59.4-29.2174.2-21.833.8000113.6G187 R432P185-G187 PolarHBondContact O-N 3.43Å; P185-R432 VanDerWaalsContact CA-O 3.25Å; P185-R432 WeakPolarHBondContact CA-O 3.18Å; P185-R432 HydrophobicContact CG-CB 3.9Å
186Q84.1Confident94.1Very high158 Ų15837.8 Ų37.874%0.73821%0.21SC*.THydrogen-bonded Turntrans-78.9-3.1177.8-61.774.817.900112.7S184S184-Q186 PolarHBondContact O-N 2.85Å
187G83.5Confident94.1Very high13 Ų1340.5 Ų40.513%0.13422%0.219CC..SBendtrans82.814.4179.400000114.6S184 P185 R286S184-G187 PolarHBondContact O-N 2.91Å; S184-G187 PolarHBondContact OG-N 3.48Å; P185-G187 PolarHBondContact O-N 3.43Å; G187-R286 PolarHBondContact O-NH2 3.13Å
188Q91.3Very high94.1Very high134 Ų13440.5 Ų40.563%0.62622%0.219SC*.  trans-81131.2167.8-177.8-173.8-5.100109.9M183 S184 L190M183-Q188 WeakPolarHBondContact CG-O 3.38Å; S184-Q188 PolarHBondContact N-O 2.91Å; S184-Q188 WeakPolarHBondContact OG-CA 3.42Å; S184-Q188 WeakPolarHBondContact OG-CB 3.35Å; S184-Q188 PolarHBondContact OG-N 3.31Å; S184-Q188 PolarHBondContact OG-O 3.29Å; Q188-L190 PolarHBondContact O-N 3.5Å
189V93.8Very high94.1Very high59 Ų5939.8 Ų39.836%0.35821%0.214SC..EExtended strand (participates in β ladder)trans-69.4119175.1-177.90000109.2L181 A192 L283L181-V189 HydrophobicContact CD1-CG1 4.14Å; L181-V189 HydrophobicContact CD1-CG2 4.31Å; V189-A192 HydrophobicContact CG1-CB 3.71Å; V189-L283 HydrophobicContact CG2-CD1 3.7Å
190L94.3Very high94.1Very high83 Ų8339.8 Ų39.844%0.43521%0.214SC..EExtended strand (participates in β ladder)trans-90.7-37.7177.6-60.1177.4000111.4L182 Q188L182-L190 HydrophobicContact CD2-CB 4.39Å; L182-L190 HydrophobicContact CD2-CD1 4.33Å; L182-L190 HydrophobicContact CG-CB 4.28Å; L182-L190 HydrophobicContact CG-CD1 4.24Å; L182-L190 WeakPolarHBondContact O-CA 3.31Å; L182-L190 WeakPolarHBondContact O-CB 3.17Å; L182-L190 PolarHBondContact O-N 3.19Å; Q188-L190 PolarHBondContact O-N 3.5Å
191S95.1Very high94.1Very high60 Ų6041.4 Ų41.442%0.4222%0.219SC..EExtended strand (participates in β ladder)trans-149.3135.3174.5-175.50000109.1L181 L182L181-S191 CarbonylContact C-O 3.54Å; L181-S191 WeakPolarHBondContact CA-O 3.33Å; L182-S191 PolarHBondContact N-O 2.66Å; L182-S191 PolarHBondContact O-N 2.86Å; L182-S191 VanDerWaalsContact O-N 3.13Å
192A95.6Very high94.1Very high22 Ų2241.2 Ų41.218%0.18222%0.218CC..EExtended strand (participates in β ladder)trans-143130.7170.700000109.5N180 L181 V189 I281 L283N180-A192 VanDerWaalsContact O-CA 3.28Å; N180-A192 WeakPolarHBondContact O-CA 3.44Å; L181-A192 HydrophobicContact CD1-CB 4.35Å; V189-A192 HydrophobicContact CG1-CB 3.71Å; A192-I281 HydrophobicContact CB-CD1 4.29Å; A192-L283 HydrophobicContact CB-CD2 4.35Å
193H96.3Very high94.1Very high49 Ų4943 Ų4323%0.22722%0.222CC..EExtended strand (participates in β ladder)trans-151.3150.5169.667.8-82.2000110.5N180 T277 T278 I281N180-H193 WeakPolarHBondContact CB-CE1 3.49Å; N180-H193 PolarHBondContact N-O 2.97Å; N180-H193 PolarHBondContact ND2-CD2 2.76Å; N180-H193 PolarHBondContact ND2-CE1 3.29Å; N180-H193 PolarHBondContact ND2-NE2 3.15Å; N180-H193 PolarHBondContact O-N 2.92Å; H193-T277 CarbonylContact C-O 3.55Å; H193-T277 WeakPolarHBondContact CA-O 3.35Å; H193-T278 HydrophobicContact CB-CG2 3.81Å; H193-I281 VanDerWaalsContact CA-CD1 3.47Å
194V97.5Very high94.3Very high0 Ų042.7 Ų42.70%022%0.221CC..EExtended strand (participates in β ladder)trans-104.4126.9172.7175.10000108.3E177 S178 V179 R276 T277 I281 P394E177-V194 HydrophobicContact CB-CG1 3.75Å; E177-V194 HydrophobicContact CG-CG1 3.94Å; S178-V194 WeakPolarHBondContact O-CA 3.3Å; V179-V194 HydrophobicContact CG2-CG2 4.36Å; V194-R276 WeakPolarHBondContact O-CA 3.4Å; V194-T277 PolarHBondContact N-O 3.41Å; V194-T277 PolarHBondContact O-N 3.43Å; V194-I281 HydrophobicContact CG2-CB 4.34Å; V194-I281 HydrophobicContact CG2-CD1 4.09Å; V194-I281 HydrophobicContact CG2-CG1 3.93Å; V194-I281 HydrophobicContact CG2-CG2 3.48Å; V194-I281 VanDerWaalsContact CG2-CG2 3.48Å; V194-P394 HydrophobicContact CG2-CB 3.99Å
195S97.6Very high94.5Very high30 Ų3042.8 Ų42.821%0.2122%0.222CC..EExtended strand (participates in β ladder)trans-100107.4165.6-58.70000108.2S178S178-S195 PolarHBondContact N-O 2.7Å; S178-S195 PolarHBondContact O-N 3.38Å
196G97.3Very high95Very high1 Ų140.8 Ų40.81%0.0121%0.211CC..EExtended strand (participates in β ladder)trans-105154.7-179.600000112.7L176 R274 Y275L176-G196 CarbonylContact O-C 3.59Å; L176-G196 WeakPolarHBondContact O-CA 3.33Å; G196-R274 WeakPolarHBondContact O-CA 3.22Å; G196-R274 WeakPolarHBondContact O-CG 3.4Å; G196-Y275 PolarHBondContact N-O 2.83Å; G196-Y275 PolarHBondContact O-N 2.94Å; G196-Y275 VanDerWaalsContact O-O 3.12Å
197R97.7Very high95.5Very high86 Ų8634.6 Ų34.633%0.32518%0.182SC..EExtended strand (participates in β ladder)trans-144.9148.4167.461.7174.3178.5-179.97.1110.7L176 V199 E271 M273 R274L176-R197 HydrophobicContact CB-CG 3.94Å; L176-R197 PolarHBondContact N-O 2.95Å; L176-R197 PolarHBondContact O-N 3.06Å; R197-V199 HydrophobicContact CG-CG2 4.3Å; R197-E271 HydrophobicContact CB-CG 4.19Å; R197-E271 WeakPolarHBondContact CD-OE2 3.38Å; R197-E271 IonicContact NE-OE2 3.18Å; R197-E271 IonicContact NH1-OE2 2.76Å; R197-E271 PolarHBondContact NH1-OE2 2.87Å; R197-M273 CarbonylContact C-O 3.51Å; R197-M273 VanDerWaalsContact CA-O 3.28Å; R197-M273 WeakPolarHBondContact CA-O 3.39Å; R197-R274 HydrophobicContact CB-CG 4.31Å
198V97.9Very high96.1Very high0 Ų034 Ų340%018%0.175CC..EExtended strand (participates in β ladder)trans-107.4107.6174.3-175.70000107.4L173 D174 F212 L272 M273 Y275L173-V198 HydrophobicContact CD2-CG1 4.17Å; D174-V198 WeakPolarHBondContact O-CA 3.34Å; V198-F212 HydrophobicContact CG2-CZ 4.42Å; V198-L272 PolarHBondContact O-N 2.88Å; V198-M273 HydrophobicContact CB-CG 3.78Å; V198-M273 HydrophobicContact CG2-CG 3.64Å; V198-M273 HydrophobicContact CG2-SD 4.1Å; V198-M273 PolarHBondContact N-O 2.89Å; V198-Y275 HydrophobicContact CG2-CE1 4.03Å
199V98.1Very high96.3Very high8 Ų829.9 Ų29.95%0.04816%0.156CC..EExtended strand (participates in β ladder)trans-95.5131.6174179.60000108D174 L176 R197 E269D174-V199 HydrophobicContact CB-CB 4.2Å; D174-V199 PolarHBondContact N-O 3.41Å; D174-V199 PolarHBondContact O-N 3.05Å; L176-V199 HydrophobicContact CD1-CG2 4.02Å; R197-V199 HydrophobicContact CG-CG2 4.3Å; V199-E269 HydrophobicContact CG1-CG 3.78Å
200M97.6Very high96.5Very high0 Ų027.1 Ų27.10%014%0.139CC..EExtended strand (participates in β ladder)trans-117.9134.5-178.2-178.5167.3178.300109.3L171 F172 L173 F263 P265 E269 F270L171-M200 HydrophobicContact CB-CE 4.47Å; L171-M200 HydrophobicContact CD1-CE 3.71Å; L171-M200 HydrophobicContact CD2-CE 3.24Å; L171-M200 HydrophobicContact CG-CE 3.98Å; F172-M200 CarbonylContact O-C 3.33Å; F172-M200 WeakPolarHBondContact O-CA 3.45Å; L173-M200 HydrophobicContact CD2-CB 3.74Å; L173-M200 HydrophobicContact CD2-CG 3.68Å; L173-M200 HydrophobicContact CD2-SD 3.95Å; M200-F263 HydrophobicContact CE-CE2 4.2Å; M200-F263 HydrophobicContact CE-CZ 4.41Å; M200-F263 HydrophobicContact SD-CE2 3.71Å; M200-F263 HydrophobicContact SD-CZ 3.88Å; M200-P265 HydrophobicContact CE-CB 4.14Å; M200-P265 HydrophobicContact CE-CG 4.4Å; M200-P265 HydrophobicContact SD-CB 4.46Å; M200-E269 CarbonylContact O-C 3.53Å; M200-E269 WeakPolarHBondContact O-CA 3.44Å; M200-F270 HydrophobicContact CB-CD1 4.33Å; M200-F270 HydrophobicContact CB-CE1 3.76Å; M200-F270 HydrophobicContact CB-CZ 3.86Å; M200-F270 HydrophobicContact CG-CE1 3.8Å; M200-F270 HydrophobicContact CG-CZ 4.01Å; M200-F270 PolarHBondContact N-O 2.83Å; M200-F270 PolarHBondContact O-N 3.13Å; M200-F270 HydrophobicContact SD-CE1 3.99Å; M200-F270 HydrophobicContact SD-CZ 3.69Å
201K97.3Very high96.5Very high55 Ų5527.1 Ų27.124%0.23914%0.136CC..EExtended strand (participates in β ladder)trans-110116.2165.5-47.3-169.4-169.5-143.70108.3L171 F172 Y203 G268 E269L171-K201 WeakPolarHBondContact CA-O 3.47Å; F172-K201 HydrophobicContact CB-CB 4.15Å; F172-K201 HydrophobicContact CB-CG 4.5Å; F172-K201 HydrophobicContact CD2-CB 4.31Å; F172-K201 PolarHBondContact N-O 3.43Å; F172-K201 PolarHBondContact O-N 3.01Å; K201-Y203 HydrophobicContact CB-CE2 4.13Å; K201-G268 CarbonylContact C-O 3.47Å; K201-G268 VanDerWaalsContact CA-O 3.32Å; K201-G268 WeakPolarHBondContact CA-O 3.44Å; K201-E269 HydrophobicContact CD-CB 4.49Å; K201-E269 WeakPolarHBondContact CE-OE2 3.37Å; K201-E269 HydrophobicContact CG-CB 4.06Å; K201-E269 HydrophobicContact CG-CG 4.09Å; K201-E269 IonicContact NZ-OE2 2.71Å; K201-E269 PolarHBondContact NZ-OE2 2.9Å
202S96.6Very high96.4Very high0 Ų024.3 Ų24.30%012%0.116CC..EExtended strand (participates in β ladder)trans-112.4114.8-174.4-179.50000110.9L171 L204 P266 G268L171-S202 WeakPolarHBondContact CD2-OG 3.39Å; S202-L204 WeakPolarHBondContact OG-CG 3.49Å; S202-P266 WeakPolarHBondContact CB-O 3.25Å; S202-G268 PolarHBondContact N-O 2.85Å; S202-G268 PolarHBondContact O-N 2.81Å
203Y97Very high96.2Very high81 Ų8123.5 Ų23.532%0.31811%0.11SC..EExtended strand (participates in β ladder)trans-117.374.7172-55.9-68000107.8Y166 N169 E170 F172 K201Y166-Y203 AromaticContact CE1-CD1 3.72Å; Y166-Y203 HydrophobicContact CE1-CD1 3.72Å; Y166-Y203 HydrophobicContact CE1-CG 4.24Å; Y166-Y203 AromaticContact CZ-CD1 3.79Å; N169-Y203 CarbonylContact C-O 3.58Å; N169-Y203 VanDerWaalsContact CA-O 3.3Å; N169-Y203 WeakPolarHBondContact CA-O 3.32Å; E170-Y203 PolarHBondContact N-O 3.28Å; E170-Y203 PolarHBondContact O-N 2.98Å; F172-Y203 HydrophobicContact CD2-CD2 4.12Å; F172-Y203 HydrophobicContact CD2-CE2 4.05Å; F172-Y203 AromaticContact CE2-CD2 3.87Å; F172-Y203 HydrophobicContact CE2-CD2 3.87Å; F172-Y203 AromaticContact CE2-CE2 3.97Å; F172-Y203 HydrophobicContact CE2-CE2 3.97Å; K201-Y203 HydrophobicContact CB-CE2 4.13Å
204L96.8Very high95.9Very high0 Ų021.8 Ų21.80%010%0.102CC..  trans-120144-174.1-64.8-177.5000110.8R160 I164 Y166 N169 L171 S202 P208 P265 V404 V416R160-L204 PolarHBondContact NH2-O 2.78Å; I164-L204 WeakPolarHBondContact CG2-O 3.18Å; Y166-L204 VanDerWaalsContact CD2-C 3.44Å; Y166-L204 VanDerWaalsContact CD2-O 3.29Å; Y166-L204 WeakPolarHBondContact CD2-O 3.1Å; Y166-L204 WeakPolarHBondContact CE2-O 3.1Å; N169-L204 HydrophobicContact CB-CD2 3.82Å; L171-L204 HydrophobicContact CD1-CD1 4.08Å; L171-L204 HydrophobicContact CD1-CD2 4.38Å; L171-L204 HydrophobicContact CD2-CD1 3.67Å; L171-L204 HydrophobicContact CD2-CD2 3.96Å; L171-L204 HydrophobicContact CD2-CG 3.63Å; L171-L204 HydrophobicContact CG-CD1 4.15Å; L171-L204 HydrophobicContact CG-CD2 3.93Å; L171-L204 HydrophobicContact CG-CG 4.15Å; S202-L204 WeakPolarHBondContact OG-CG 3.49Å; L204-P208 HydrophobicContact CB-CG 3.77Å; L204-P208 HydrophobicContact CD1-CB 4.06Å; L204-P208 HydrophobicContact CD1-CG 3.41Å; L204-P208 VanDerWaalsContact CD1-CG 3.41Å; L204-P208 HydrophobicContact CG-CG 4.25Å; L204-P265 HydrophobicContact CD1-CG 4.09Å; L204-V404 HydrophobicContact CD1-CG1 3.97Å; L204-V416 HydrophobicContact CD2-CG1 3.77Å; L204-V416 HydrophobicContact CD2-CG2 4.14Å
205S96.4Very high95.5Very high10 Ų1022.1 Ų22.17%0.0710%0.104CC..SBendtrans-83.3149.4175.9-52.50000111.2I164 Y166 N169 Y411I164-S205 CarbonylContact O-C 3.58Å; I164-S205 VanDerWaalsContact O-CA 3.22Å; I164-S205 WeakPolarHBondContact O-CA 3.37Å; Y166-S205 PolarHBondContact N-OG 3.39Å; Y166-S205 PolarHBondContact O-OG 3.15Å; N169-S205 WeakPolarHBondContact OD1-CB 3.37Å; N169-S205 PolarHBondContact OD1-N 2.88Å; N169-S205 PolarHBondContact OD1-OG 3.15Å; S205-Y411 PolarHBondContact N-OH 3.13Å; S205-Y411 WeakPolarHBondContact O-CE1 3.2Å; S205-Y411 PolarHBondContact O-OH 3.14Å
206G94.4Very high94.8Very high8 Ų821.1 Ų21.18%0.08210%0.096CC..SBendtrans73.1-145.8176.100000114.3R160 I164 P208R160-G206 VanDerWaalsContact CZ-O 3.26Å; R160-G206 PolarHBondContact NE-O 3.41Å; R160-G206 PolarHBondContact NH2-O 2.74Å; I164-G206 PolarHBondContact O-N 3.19Å; G206-P208 VanDerWaalsContact C-CD 3.41Å; G206-P208 WeakPolarHBondContact O-CD 3.04Å
207M94.5Very high93.8Very high27 Ų2724.8 Ų24.813%0.13311%0.112CC..  trans-123.861.8-176.8-66-64.5-75.600111.6I157 R160 R161 E162 I264 E406I157-M207 HydrophobicContact CB-CE 4.28Å; I157-M207 HydrophobicContact CD1-CE 3.89Å; I157-M207 HydrophobicContact CG2-CE 3.83Å; R160-M207 HydrophobicContact CB-CE 4.11Å; R160-M207 HydrophobicContact CB-SD 4.07Å; R160-M207 VanDerWaalsContact CD-SD 3.55Å; R160-M207 HydrophobicContact CG-CE 4.33Å; R160-M207 HydrophobicContact CG-SD 3.65Å; R161-M207 VanDerWaalsContact O-SD 3.42Å; E162-M207 HydrophobicContact CG-CG 4Å; E162-M207 HydrophobicContact CG-SD 4.26Å; M207-I264 HydrophobicContact CE-CG2 4.29Å; M207-E406 VanDerWaalsContact CA-OE2 3.24Å; M207-E406 WeakPolarHBondContact CA-OE2 3.44Å; M207-E406 PolarHBondContact N-OE2 2.69Å
208P96.1Very high92.6Very high0 Ų024 Ų240%011%0.114CC..  trans-70.8138.1-168.427.4-36.3000111.9L204 G206 P265 V404 F405 E406L204-P208 HydrophobicContact CB-CG 3.77Å; L204-P208 HydrophobicContact CD1-CB 4.06Å; L204-P208 HydrophobicContact CD1-CG 3.41Å; L204-P208 VanDerWaalsContact CD1-CG 3.41Å; L204-P208 HydrophobicContact CG-CG 4.25Å; G206-P208 VanDerWaalsContact C-CD 3.41Å; G206-P208 WeakPolarHBondContact O-CD 3.04Å; P208-P265 HydrophobicContact CG-CG 4.41Å; P208-P265 WeakPolarHBondContact O-CD 3.37Å; P208-V404 HydrophobicContact CB-CG1 3.95Å; P208-F405 CarbonylContact C-O 3.58Å; P208-F405 WeakPolarHBondContact CA-O 3.38Å; P208-E406 WeakPolarHBondContact CA-OE2 3.28Å; P208-E406 HydrophobicContact CB-CB 4.24Å
209E95.7Very high91.2Very high49 Ų4925.1 Ų25.123%0.22912%0.12CC..EExtended strand (participates in β ladder)trans-85.2122.2167.3-172.1169.3172.600109.6R251 K254 S262 F405E209-R251 IonicContact OE1-NH1 2.87Å; E209-R251 PolarHBondContact OE1-NH1 2.93Å; E209-R251 IonicContact OE2-NH1 3.81Å; E209-R251 PolarHBondContact OE2-NH1 3.35Å; E209-K254 IonicContact OE1-NZ 2.69Å; E209-K254 PolarHBondContact OE1-NZ 3.43Å; E209-S262 PolarHBondContact OE1-OG 2.85Å; E209-F405 PolarHBondContact N-O 3.18Å; E209-F405 PolarHBondContact O-N 2.88Å
210C96.3Very high89.6Confident0 Ų026.5 Ų26.50%013%0.127CC..EExtended strand (participates in β ladder)trans-105.3146.5176.9-63.80000111.2S262 F263 K403C210-S262 WeakPolarHBondContact O-CA 3.4Å; C210-F263 HydrophobicContact CB-CD1 4.24Å; C210-F263 HydrophobicContact CB-CD2 4.11Å; C210-F263 HydrophobicContact CB-CE1 3.85Å; C210-F263 HydrophobicContact CB-CE2 3.72Å; C210-F263 HydrophobicContact CB-CG 4.36Å; C210-F263 HydrophobicContact CB-CZ 3.57Å; C210-F263 PolarHBondContact N-O 3.25Å; C210-F263 PolarHBondContact O-N 2.82Å; C210-K403 CarbonylContact C-O 3.52Å; C210-K403 WeakPolarHBondContact CA-O 3.41Å
211K94.8Very high88.2Confident83 Ų8332 Ų3236%0.36115%0.153SC..EExtended strand (participates in β ladder)trans-127.6121.5169-60.4-173.9-179.8-176.60110.5I261 Y401 L402 K403K211-I261 CarbonylContact C-O 3.59Å; K211-I261 VanDerWaalsContact CA-O 3.31Å; K211-I261 WeakPolarHBondContact CA-O 3.04Å; K211-Y401 HydrophobicContact CB-CE2 4.46Å; K211-L402 CarbonylContact O-C 3.53Å; K211-L402 WeakPolarHBondContact O-CA 3.34Å; K211-K403 HydrophobicContact CB-CB 4.24Å; K211-K403 PolarHBondContact N-O 3Å; K211-K403 PolarHBondContact O-N 3.18Å
212F93.6Very high86.6Confident1 Ų135.8 Ų35.80%0.00417%0.169CC..EExtended strand (participates in β ladder)trans-107.2129.9179.3173.7-99.2000110.6L173 V198 M214 I261 F263 L272 M273 V399 L402L173-F212 HydrophobicContact CD1-CD2 4.1Å; L173-F212 HydrophobicContact CD1-CE2 3.93Å; V198-F212 HydrophobicContact CG2-CZ 4.42Å; F212-M214 HydrophobicContact CE1-CB 4.15Å; F212-M214 HydrophobicContact CE1-CG 4.43Å; F212-M214 HydrophobicContact CE1-SD 4.08Å; F212-M214 HydrophobicContact CZ-CB 4.37Å; F212-I261 HydrophobicContact CB-CB 4.22Å; F212-I261 HydrophobicContact CB-CG2 4.27Å; F212-I261 HydrophobicContact CD1-CB 4.35Å; F212-I261 HydrophobicContact CD1-CD1 3.66Å; F212-I261 HydrophobicContact CE1-CD1 4.17Å; F212-I261 PolarHBondContact N-O 2.75Å; F212-F263 HydrophobicContact CB-CE1 3.8Å; F212-F263 HydrophobicContact CB-CZ 4.45Å; F212-L272 HydrophobicContact CB-CD2 4.38Å; F212-L272 HydrophobicContact CG-CD2 4.33Å; F212-M273 HydrophobicContact CD1-SD 4.48Å; F212-M273 HydrophobicContact CE1-SD 3.95Å; F212-V399 HydrophobicContact CD2-CG1 4.15Å; F212-V399 HydrophobicContact CE2-CB 4.18Å; F212-V399 HydrophobicContact CE2-CG1 3.64Å; F212-V399 HydrophobicContact CE2-CG2 3.63Å; F212-V399 HydrophobicContact CZ-CG2 4.01Å; F212-L402 HydrophobicContact CB-CD1 4.24Å; F212-L402 HydrophobicContact CD2-CD1 4.38Å
213G90.2Very high85Confident6 Ų641 Ų416%0.06219%0.194CC..EExtended strand (participates in β ladder)trans-124.7134.4178.300000111.7R400 Y401G213-R400 PolarHBondContact O-N 3.15Å; G213-Y401 PolarHBondContact N-O 2.84Å; G213-Y401 PolarHBondContact O-N 3.39Å
214M90.7Very high83.1Confident12 Ų1239.8 Ų39.86%0.05921%0.205CC..EExtended strand (participates in β ladder)trans-123.5167176.961.4-166.2154.400111.4F212 D216 I241 I261 M273 L397 K398 R400F212-M214 HydrophobicContact CE1-CB 4.15Å; F212-M214 HydrophobicContact CE1-CG 4.43Å; F212-M214 HydrophobicContact CE1-SD 4.08Å; F212-M214 HydrophobicContact CZ-CB 4.37Å; M214-D216 HydrophobicContact CG-CB 4.16Å; M214-D216 PolarHBondContact O-N 2.74Å; M214-I241 HydrophobicContact CE-CD1 3.79Å; M214-I241 HydrophobicContact SD-CD1 3.66Å; M214-I261 HydrophobicContact CE-CD1 3.52Å; M214-M273 HydrophobicContact CE-CE 3.95Å; M214-M273 HydrophobicContact CE-SD 4.21Å; M214-M273 HydrophobicContact SD-CE 4.17Å; M214-M273 HydrophobicContact SD-SD 4.23Å; M214-L397 HydrophobicContact SD-CD1 3.99Å; M214-K398 WeakPolarHBondContact CA-O 3.33Å; M214-R400 WeakPolarHBondContact O-CD 3.39Å
215N89.4Confident81Confident7 Ų749.1 Ų49.14%0.03725%0.246CC..  trans-7643.3177.163.8-33000113.4K217 I220 Q237 S238 I239 G396 K398 R400N215-K217 PolarHBondContact O-N 3.44Å; N215-I220 HydrophobicContact CB-CD1 3.95Å; N215-I220 WeakPolarHBondContact O-CD1 3.48Å; N215-Q237 PolarHBondContact ND2-O 2.7Å; N215-S238 CarbonylContact O-C 3.59Å; N215-S238 VanDerWaalsContact O-CA 3.25Å; N215-S238 WeakPolarHBondContact O-CA 3.26Å; N215-I239 PolarHBondContact O-N 2.85Å; N215-G396 PolarHBondContact ND2-O 3.17Å; N215-K398 PolarHBondContact N-O 2.86Å; N215-K398 PolarHBondContact OD1-N 2.9Å; N215-K398 PolarHBondContact OD1-O 3.37Å; N215-R400 HydrophobicContact CB-CG 4.28Å
216D82.4Confident78.7Confident9 Ų951.7 Ų51.75%0.04827%0.274CS..BIsolated β-bridgetrans-62.6128.9176.3-179.94.6000110.5M214 I218 V219 I220M214-D216 HydrophobicContact CG-CB 4.16Å; M214-D216 PolarHBondContact O-N 2.74Å; D216-I218 VanDerWaalsContact C-N 3.26Å; D216-I218 PolarHBondContact O-N 2.9Å; D216-I218 PolarHBondContact OD1-N 3.49Å; D216-V219 HydrophobicContact CB-CB 4.28Å; D216-V219 HydrophobicContact CB-CG2 3.92Å; D216-V219 PolarHBondContact O-N 2.87Å; D216-V219 VanDerWaalsContact O-N 3.13Å; D216-I220 WeakPolarHBondContact O-CG1 3.42Å; D216-I220 PolarHBondContact O-N 2.88Å
217K76.3Confident76.3Confident79 Ų7957.1 Ų57.134%0.34331%0.306SS..Hα-helixtrans-55.1-41-179-173.3170.6-178.8176.40112.1N215 V219 I220 E221 I239N215-K217 PolarHBondContact O-N 3.44Å; K217-V219 VanDerWaalsContact C-N 3.33Å; K217-V219 PolarHBondContact O-N 2.86Å; K217-I220 PolarHBondContact O-N 3.22Å; K217-E221 WeakPolarHBondContact CE-OE1 3.46Å; K217-E221 HydrophobicContact CG-CG 4.43Å; K217-E221 WeakPolarHBondContact CG-OE1 3.44Å; K217-E221 WeakPolarHBondContact O-CB 3.35Å; K217-E221 WeakPolarHBondContact O-CG 3.28Å; K217-E221 PolarHBondContact O-N 2.84Å; K217-I239 WeakPolarHBondContact CB-O 3.29Å; K217-I239 PolarHBondContact N-O 2.77Å
218I73.6Confident73.9Confident70 Ų7060.9 Ų60.936%0.35934%0.341SS..Hα-helixtrans-63.9-41.6179.7-61.5173.1000110.8D216 K222 R259D216-I218 VanDerWaalsContact C-N 3.26Å; D216-I218 PolarHBondContact O-N 2.9Å; D216-I218 PolarHBondContact OD1-N 3.49Å; I218-K222 WeakPolarHBondContact O-CG 3.45Å; I218-K222 PolarHBondContact O-N 2.95Å; I218-R259 HydrophobicContact CG2-CG 4.49Å
219V67.4Low71.1Confident22 Ų2267.1 Ų67.113%0.13338%0.375CS..Hα-helixtrans-67.8-42178.7179.20000110.9D216 K217 K222 Q223 R259D216-V219 HydrophobicContact CB-CB 4.28Å; D216-V219 HydrophobicContact CB-CG2 3.92Å; D216-V219 PolarHBondContact O-N 2.87Å; D216-V219 VanDerWaalsContact O-N 3.13Å; K217-V219 VanDerWaalsContact C-N 3.33Å; K217-V219 PolarHBondContact O-N 2.86Å; V219-K222 PolarHBondContact O-N 2.92Å; V219-Q223 WeakPolarHBondContact O-CG 3.38Å; V219-Q223 PolarHBondContact O-N 3.04Å; V219-Q223 VanDerWaalsContact O-N 3.15Å; V219-R259 HydrophobicContact CG2-CB 3.48Å; V219-R259 VanDerWaalsContact CG2-CB 3.48Å; V219-R259 HydrophobicContact CG2-CG 4.31Å
220I64.3Low68.5Low38 Ų3871.8 Ų71.820%0.19540%0.396CS..Hα-helixtrans-67.1-42.3-179.3-68.6168000110.9N215 D216 K217 Q223 G224N215-I220 HydrophobicContact CB-CD1 3.95Å; N215-I220 WeakPolarHBondContact O-CD1 3.48Å; D216-I220 WeakPolarHBondContact O-CG1 3.42Å; D216-I220 PolarHBondContact O-N 2.88Å; K217-I220 PolarHBondContact O-N 3.22Å; I220-Q223 PolarHBondContact O-N 3.07Å; I220-G224 PolarHBondContact O-N 3.39Å
221E67.6Low65.7Low114 Ų11478 Ų7853%0.53343%0.434SS..Hα-helixtrans-65.2-38.1178.2-74.4175.7-175.100112.4K217 G224K217-E221 WeakPolarHBondContact CE-OE1 3.46Å; K217-E221 HydrophobicContact CG-CG 4.43Å; K217-E221 WeakPolarHBondContact CG-OE1 3.44Å; K217-E221 WeakPolarHBondContact O-CB 3.35Å; K217-E221 WeakPolarHBondContact O-CG 3.28Å; K217-E221 PolarHBondContact O-N 2.84Å; E221-G224 PolarHBondContact O-N 2.8Å
222K64.9Low63Low135 Ų13578.6 Ų78.659%0.58745%0.449SS*.Hα-helixtrans-64.8-38.6173.7-76-174.6177.8-172.30112.6I218 V219I218-K222 WeakPolarHBondContact O-CG 3.45Å; I218-K222 PolarHBondContact O-N 2.95Å; V219-K222 PolarHBondContact O-N 2.92Å
223Q62.1Low60.5Low111 Ų11186.7 Ų86.752%0.51948%0.484SS..Hα-helixtrans-74.6-27.1177-72.8179.2-5.600113V219 I220 K225V219-Q223 WeakPolarHBondContact O-CG 3.38Å; V219-Q223 PolarHBondContact O-N 3.04Å; V219-Q223 VanDerWaalsContact O-N 3.15Å; I220-Q223 PolarHBondContact O-N 3.07Å; Q223-K225 VanDerWaalsContact C-N 3.32Å; Q223-K225 PolarHBondContact O-N 2.87Å
224G57.1Low58Low54 Ų5491.6 Ų91.656%0.55752%0.517SS*.G310 helixtrans-75.5-9.1-177.500000115.9I220 E221 G226I220-G224 PolarHBondContact O-N 3.39Å; E221-G224 PolarHBondContact O-N 2.8Å; G224-G226 VanDerWaalsContact C-N 3.28Å; G224-G226 PolarHBondContact O-N 2.81Å
225K53.6Low55.9Low196 Ų19694.2 Ų94.285%0.85255%0.548SS*.G310 helixtrans-80.70.6177.4-75.8-172.2175-175.30114.7Q223Q223-K225 VanDerWaalsContact C-N 3.32Å; Q223-K225 PolarHBondContact O-N 2.87Å
226G47.7Very low54.2Low64 Ų64102.7 Ų102.766%0.6658%0.584SS**G310 helixtrans-98.4-11.7-171.800000117.1G224G224-G226 VanDerWaalsContact C-N 3.28Å; G224-G226 PolarHBondContact O-N 2.81Å
227T44.1Very low53.5Low123 Ų123107.5 Ų107.576%0.75561%0.606SS**  trans-151.5105.2-17850.10000109.6D229T227-D229 PolarHBondContact O-N 2.85Å
228A43.6Very low53.6Low105 Ų105105.4 Ų105.487%0.86860%0.602SS**  trans-70.2104.9170.300000108.8
229D37.5Very low54.1Low132 Ų132102.2 Ų102.271%0.70659%0.585SS**  trans-144.395.5158.4-129.8-11.1000107.9T227 T231T227-D229 PolarHBondContact O-N 2.85Å; D229-T231 PolarHBondContact O-N 2.83Å
230E40.8Very low55Low147 Ų147102.1 Ų102.169%0.68759%0.587SS**THydrogen-bonded Turntrans-76.47.2-167.7-82.7-147115.400115K233E230-K233 IonicContact OE1-NZ 3.67Å; E230-K233 PolarHBondContact OE1-NZ 2.95Å
231T37.6Very low56.2Low130 Ų130101.7 Ų101.780%0.79859%0.585SS**THydrogen-bonded Turntrans-98.37-170.245.90000115.4D229D229-T231 PolarHBondContact O-N 2.83Å
232S38.4Very low57.3Low95 Ų9599.1 Ų99.166%0.66458%0.575SS**  trans-128.342.9177.565.10000114.9S234S232-S234 PolarHBondContact O-N 2.87Å
233K40.4Very low58.6Low172 Ų17296 Ų9675%0.74856%0.564SS**  trans-70.833.7172.1-74.6179.4-177.4160.50113.9E230E230-K233 IonicContact OE1-NZ 3.67Å; E230-K233 PolarHBondContact OE1-NZ 2.95Å
234S38.1Very low60Low108 Ų10892.5 Ų92.576%0.75555%0.552SS**SBendtrans-109.5100.7170.958.20000111.1S232S232-S234 PolarHBondContact O-N 2.87Å
235G46.8Very low61.8Low68 Ų6894 Ų9470%0.70155%0.551SS**  trans94.319.4142.800000120.4Q237G235-Q237 PolarHBondContact O-N 3.46Å
236K54.9Low63.8Low185 Ų18586.7 Ų86.780%0.80452%0.519SS*.  trans-72.284.7163.6-78.6-178-176.3168.80109.8S238K236-S238 PolarHBondContact O-N 2.78Å
237Q65.9Low66.1Low109 Ų10986.1 Ų86.151%0.50950%0.499SS..  trans-55.4109170.8-72.4177.7-32.100108.6N215 G235N215-Q237 PolarHBondContact ND2-O 2.7Å; G235-Q237 PolarHBondContact O-N 3.46Å
238S79Confident68.4Low36 Ų3685.4 Ų85.425%0.25249%0.487SS..  trans-106.7148.4173.258.70000109N215 K236N215-S238 CarbonylContact O-C 3.59Å; N215-S238 VanDerWaalsContact O-CA 3.25Å; N215-S238 WeakPolarHBondContact O-CA 3.26Å; K236-S238 PolarHBondContact O-N 2.78Å
239I85.3Confident70.8Confident2 Ų280.6 Ų80.61%0.0145%0.447CS..BIsolated β-bridgetrans-96.5132.1174.4-177.4171.9000109.6N215 K217 I241 Y275 T277 S395 L397N215-I239 PolarHBondContact O-N 2.85Å; K217-I239 WeakPolarHBondContact CB-O 3.29Å; K217-I239 PolarHBondContact N-O 2.77Å; I239-I241 HydrophobicContact CD1-CG1 3.98Å; I239-I241 HydrophobicContact CG1-CG1 3.96Å; I239-I241 HydrophobicContact CG2-CD1 4.28Å; I239-I241 HydrophobicContact CG2-CG1 4.14Å; I239-Y275 HydrophobicContact CD1-CD2 4.39Å; I239-Y275 HydrophobicContact CD1-CE2 4.17Å; I239-T277 HydrophobicContact CG1-CG2 4.47Å; I239-S395 WeakPolarHBondContact CD1-OG 3.37Å; I239-L397 HydrophobicContact CD1-CB 3.84Å; I239-L397 HydrophobicContact CD1-CD1 4.15Å; I239-L397 HydrophobicContact CD1-CG 4.45Å
240A85.3Confident73.6Confident20 Ų2074.8 Ų74.817%0.16542%0.416CS..  trans-90.7105.216500000108.5T277A240-T277 WeakPolarHBondContact O-CB 3.45Å; A240-T277 WeakPolarHBondContact O-CG2 3.33Å; A240-T277 PolarHBondContact O-OG1 3.42Å
241I90.1Very high76.1Confident30 Ų3072.3 Ų72.315%0.15440%0.4CS..  trans-87122.4175.6-62.7174.7000107.7M214 I239 D243 C244M214-I241 HydrophobicContact CE-CD1 3.79Å; M214-I241 HydrophobicContact SD-CD1 3.66Å; I239-I241 HydrophobicContact CD1-CG1 3.98Å; I239-I241 HydrophobicContact CG1-CG1 3.96Å; I239-I241 HydrophobicContact CG2-CD1 4.28Å; I239-I241 HydrophobicContact CG2-CG1 4.14Å; I241-D243 VanDerWaalsContact CG2-O 3.27Å; I241-D243 WeakPolarHBondContact CG2-O 3.06Å; I241-C244 HydrophobicContact CG2-CB 4.05Å
242D90.9Very high78.7Confident60 Ų6070.6 Ų70.632%0.32139%0.386SS..SBendtrans-77.7-45179-62.6-36000110.8R276 T277 T278D242-R276 PolarHBondContact N-O 3.48Å; D242-T277 WeakPolarHBondContact OD2-CA 3.49Å; D242-T278 PolarHBondContact OD1-OG1 3.15Å; D242-T278 WeakPolarHBondContact OD2-CB 3.22Å; D242-T278 WeakPolarHBondContact OD2-CG2 3.17Å; D242-T278 PolarHBondContact OD2-N 3.09Å; D242-T278 PolarHBondContact OD2-OG1 2.84Å
243D90.6Very high81.2Confident69 Ų6970.5 Ų70.537%0.36939%0.385SS..EExtended strand (participates in β ladder)trans-148.7150.1176.150.8-94.5000110.4I241 Y275 R276I241-D243 VanDerWaalsContact CG2-O 3.27Å; I241-D243 WeakPolarHBondContact CG2-O 3.06Å; D243-Y275 CarbonylContact O-C 3.57Å; D243-Y275 VanDerWaalsContact O-CA 3.26Å; D243-Y275 WeakPolarHBondContact O-CA 3.47Å; D243-R276 PolarHBondContact O-N 2.91Å; D243-R276 IonicContact OD1-CZ 3.39Å; D243-R276 IonicContact OD1-NE 3.13Å; D243-R276 PolarHBondContact OD1-NE 2.9Å; D243-R276 IonicContact OD1-NH2 3.23Å; D243-R276 PolarHBondContact OD1-NH2 2.93Å; D243-R276 VanDerWaalsContact OD2-CB 3.3Å; D243-R276 WeakPolarHBondContact OD2-CB 3.34Å; D243-R276 IonicContact OD2-NE 2.87Å
244C93Very high83.4Confident38 Ų3865.2 Ų65.226%0.25736%0.362SS..EExtended strand (participates in β ladder)trans-141.7147.4174.256.60000110.8I241 F246 M273 R274I241-C244 HydrophobicContact CG2-CB 4.05Å; C244-F246 HydrophobicContact CB-CE2 4.39Å; C244-F246 HydrophobicContact CB-CZ 4.2Å; C244-F246 VanDerWaalsContact SG-CE2 3.57Å; C244-F246 VanDerWaalsContact SG-CZ 3.59Å; C244-M273 HydrophobicContact CB-CE 4.08Å; C244-R274 CarbonylContact C-O 3.59Å; C244-R274 WeakPolarHBondContact CA-O 3.34Å; C244-R274 WeakPolarHBondContact CB-O 3.32Å
245T94.9Very high85.7Confident86 Ų8660.6 Ų60.653%0.52833%0.329SS..EExtended strand (participates in β ladder)trans-125.2143.4173.362.40000108.2M273 R274T245-M273 CarbonylContact O-C 3.56Å; T245-M273 VanDerWaalsContact O-CA 3.23Å; T245-M273 WeakPolarHBondContact O-CA 3.3Å; T245-M273 WeakPolarHBondContact O-CB 3.07Å; T245-R274 PolarHBondContact N-O 2.79Å; T245-R274 PolarHBondContact O-N 2.9Å; T245-R274 WeakPolarHBondContact OG1-CB 3.04Å
246F95.8Very high87.5Confident42 Ų4262.7 Ų62.718%0.18432%0.324CS..EExtended strand (participates in β ladder)trans-115.9154.7-176.2-62.9-75.7000111.3C244 V250 L252 F255 I261 M273C244-F246 HydrophobicContact CB-CE2 4.39Å; C244-F246 HydrophobicContact CB-CZ 4.2Å; C244-F246 VanDerWaalsContact SG-CE2 3.57Å; C244-F246 VanDerWaalsContact SG-CZ 3.59Å; F246-V250 HydrophobicContact CB-CB 3.79Å; F246-V250 HydrophobicContact CB-CG1 4.17Å; F246-V250 HydrophobicContact CB-CG2 3.86Å; F246-V250 HydrophobicContact CD1-CB 4.38Å; F246-V250 HydrophobicContact CD1-CG1 4.1Å; F246-V250 HydrophobicContact CD1-CG2 4.04Å; F246-V250 HydrophobicContact CG-CB 4.19Å; F246-V250 HydrophobicContact CG-CG1 4.03Å; F246-V250 HydrophobicContact CG-CG2 4.25Å; F246-L252 HydrophobicContact CB-CD2 4.19Å; F246-L252 HydrophobicContact CD2-CD2 3.59Å; F246-L252 HydrophobicContact CE2-CD2 4.4Å; F246-L252 HydrophobicContact CG-CD2 4.19Å; F246-F255 AromaticContact CE2-CD1 3.82Å; F246-F255 HydrophobicContact CE2-CD1 3.82Å; F246-F255 HydrophobicContact CE2-CD2 4.4Å; F246-F255 AromaticContact CE2-CE1 3.69Å; F246-F255 HydrophobicContact CE2-CE1 3.69Å; F246-F255 HydrophobicContact CE2-CE2 4.31Å; F246-F255 HydrophobicContact CE2-CG 4.16Å; F246-F255 AromaticContact CE2-CZ 3.96Å; F246-F255 HydrophobicContact CE2-CZ 3.96Å; F246-F255 HydrophobicContact CZ-CD1 4.21Å; F246-F255 HydrophobicContact CZ-CD2 4.02Å; F246-F255 AromaticContact CZ-CE1 3.92Å; F246-F255 HydrophobicContact CZ-CE1 3.92Å; F246-F255 AromaticContact CZ-CE2 3.74Å; F246-F255 HydrophobicContact CZ-CE2 3.74Å; F246-F255 HydrophobicContact CZ-CG 4.24Å; F246-F255 AromaticContact CZ-CZ 3.67Å; F246-F255 HydrophobicContact CZ-CZ 3.67Å; F246-I261 HydrophobicContact CE1-CD1 3.54Å; F246-I261 HydrophobicContact CE1-CG1 3.76Å; F246-I261 HydrophobicContact CE1-CG2 4.47Å; F246-I261 HydrophobicContact CZ-CD1 4.11Å; F246-I261 HydrophobicContact CZ-CG1 4.19Å; F246-M273 HydrophobicContact CD1-CB 3.63Å; F246-M273 HydrophobicContact CE1-CB 3.87Å; F246-M273 HydrophobicContact CE1-CE 4Å; F246-M273 HydrophobicContact CE1-SD 4.01Å; F246-M273 HydrophobicContact CZ-CE 4.48Å
247H94.8Very high88.7Confident52 Ų5257.3 Ų57.324%0.24131%0.309CS..  trans-61.9149.8161.3-165.9-94.5000110C249 V250 E271 L272H247-C249 PolarHBondContact ND1-N 2.79Å; H247-C249 PolarHBondContact ND1-SG 3.27Å; H247-C249 PolarHBondContact O-N 2.92Å; H247-V250 WeakPolarHBondContact O-CB 3.43Å; H247-V250 PolarHBondContact O-N 2.9Å; H247-E271 WeakPolarHBondContact CB-O 3.39Å; H247-L272 WeakPolarHBondContact CB-O 3.24Å; H247-L272 PolarHBondContact N-O 3.41Å
248Q92.6Very high89.2Confident108 Ų10858 Ų5851%0.50531%0.313SS..THydrogen-bonded Turntrans-57.1-16.2177.961.4175.60.100114.5E125 W159 V250E125-Q248 PolarHBondContact OE1-NE2 2.8Å; E125-Q248 PolarHBondContact OE2-NE2 2.91Å; W159-Q248 HydrophobicContact CD2-CG 4.48Å; W159-Q248 HydrophobicContact CE3-CG 3.85Å; W159-Q248 HydrophobicContact CZ3-CG 4.16Å; Q248-V250 PolarHBondContact O-N 2.83Å
249C94.4Very high89.2Confident4 Ų460.4 Ų60.43%0.02732%0.316CS..THydrogen-bonded Turntrans-72.4-14.2177.166.60000113.6W159 H247 F263 I264W159-C249 HydrophobicContact CD2-CB 4.05Å; W159-C249 VanDerWaalsContact CE2-CB 3.46Å; W159-C249 HydrophobicContact CG-CB 4.29Å; W159-C249 VanDerWaalsContact CZ2-CA 3.46Å; W159-C249 HydrophobicContact CZ2-CB 3.84Å; W159-C249 VanDerWaalsContact NE1-CB 3.3Å; H247-C249 PolarHBondContact ND1-N 2.79Å; H247-C249 PolarHBondContact ND1-SG 3.27Å; H247-C249 PolarHBondContact O-N 2.92Å; C249-F263 HydrophobicContact CB-CB 4.33Å; C249-F263 WeakPolarHBondContact O-CA 3.35Å; C249-F263 WeakPolarHBondContact O-CB 3.38Å; C249-I264 WeakPolarHBondContact CB-O 3.48Å
250V96.2Very high89Confident9 Ų960.8 Ų60.86%0.05532%0.319CS..BIsolated β-bridgetrans-83.3129.5179.7179.40000110.8F246 H247 Q248 L252 I261 F263 L272F246-V250 HydrophobicContact CB-CB 3.79Å; F246-V250 HydrophobicContact CB-CG1 4.17Å; F246-V250 HydrophobicContact CB-CG2 3.86Å; F246-V250 HydrophobicContact CD1-CB 4.38Å; F246-V250 HydrophobicContact CD1-CG1 4.1Å; F246-V250 HydrophobicContact CD1-CG2 4.04Å; F246-V250 HydrophobicContact CG-CB 4.19Å; F246-V250 HydrophobicContact CG-CG1 4.03Å; F246-V250 HydrophobicContact CG-CG2 4.25Å; H247-V250 WeakPolarHBondContact O-CB 3.43Å; H247-V250 PolarHBondContact O-N 2.9Å; Q248-V250 PolarHBondContact O-N 2.83Å; V250-L252 HydrophobicContact CG1-CD2 4.47Å; V250-L252 PolarHBondContact O-N 3.29Å; V250-I261 HydrophobicContact CG1-CG2 3.94Å; V250-I261 HydrophobicContact CG2-CG2 3.93Å; V250-F263 HydrophobicContact CG2-CB 4.11Å; V250-L272 HydrophobicContact CG2-CD1 3.78Å
251R93.8Very high89.4Confident95 Ų9560 Ų6036%0.35831%0.312SS..  trans-76.589175.1-64.8174.6172.5170.6-10.4110.1E209 S253 K254 F255 S262E209-R251 IonicContact OE1-NH1 2.87Å; E209-R251 PolarHBondContact OE1-NH1 2.93Å; E209-R251 IonicContact OE2-NH1 3.81Å; E209-R251 PolarHBondContact OE2-NH1 3.35Å; R251-S253 VanDerWaalsContact C-N 3.26Å; R251-S253 PolarHBondContact O-N 2.9Å; R251-K254 HydrophobicContact CB-CB 4.34Å; R251-K254 HydrophobicContact CB-CD 4.31Å; R251-K254 HydrophobicContact CB-CG 4.25Å; R251-K254 PolarHBondContact O-N 3.18Å; R251-F255 PolarHBondContact O-N 2.63Å; R251-S262 PolarHBondContact N-O 2.85Å
252L92.1Very high89.7Confident95 Ų9558.5 Ų58.550%0.49731%0.305SS..Hα-helixtrans-56.3-37.2-176.9-64.1-179.3000113.2F246 V250 K254 F255 D256F246-L252 HydrophobicContact CB-CD2 4.19Å; F246-L252 HydrophobicContact CD2-CD2 3.59Å; F246-L252 HydrophobicContact CE2-CD2 4.4Å; F246-L252 HydrophobicContact CG-CD2 4.19Å; V250-L252 HydrophobicContact CG1-CD2 4.47Å; V250-L252 PolarHBondContact O-N 3.29Å; L252-K254 VanDerWaalsContact C-N 3.27Å; L252-K254 PolarHBondContact O-N 2.95Å; L252-F255 CarbonylContact O-C 3.5Å; L252-F255 WeakPolarHBondContact O-CA 3.41Å; L252-F255 WeakPolarHBondContact O-CB 3.39Å; L252-F255 PolarHBondContact O-N 3.03Å; L252-D256 PolarHBondContact O-N 2.9Å
253S89.3Confident89.9Confident93 Ų9355.7 Ų55.765%0.6529%0.289SS*.Hα-helixtrans-58-36.8176.654.70000113.5R251 S257R251-S253 VanDerWaalsContact C-N 3.26Å; R251-S253 PolarHBondContact O-N 2.9Å; S253-S257 PolarHBondContact O-N 3.42Å; S253-S257 PolarHBondContact O-OG 2.97Å; S253-S257 VanDerWaalsContact O-OG 3.14Å
254K86.8Confident90.2Very high61 Ų6153.2 Ų53.227%0.26528%0.276SS..Hα-helixtrans-74.5-31.8174-67.4-171.1-179.8-1760112.1E209 R251 L252 S257 E258E209-K254 IonicContact OE1-NZ 2.69Å; E209-K254 PolarHBondContact OE1-NZ 3.43Å; R251-K254 HydrophobicContact CB-CB 4.34Å; R251-K254 HydrophobicContact CB-CD 4.31Å; R251-K254 HydrophobicContact CB-CG 4.25Å; R251-K254 PolarHBondContact O-N 3.18Å; L252-K254 VanDerWaalsContact C-N 3.27Å; L252-K254 PolarHBondContact O-N 2.95Å; K254-S257 PolarHBondContact O-OG 2.74Å; K254-E258 WeakPolarHBondContact O-CB 3.4Å; K254-E258 PolarHBondContact O-N 3.19Å
255F88Confident90.4Very high11 Ų1151.4 Ų51.45%0.04826%0.264CS..Hα-helixtrans-68.6-40175.4-179.6-103.4000111.4F246 R251 L252 R259 I261F246-F255 AromaticContact CE2-CD1 3.82Å; F246-F255 HydrophobicContact CE2-CD1 3.82Å; F246-F255 HydrophobicContact CE2-CD2 4.4Å; F246-F255 AromaticContact CE2-CE1 3.69Å; F246-F255 HydrophobicContact CE2-CE1 3.69Å; F246-F255 HydrophobicContact CE2-CE2 4.31Å; F246-F255 HydrophobicContact CE2-CG 4.16Å; F246-F255 AromaticContact CE2-CZ 3.96Å; F246-F255 HydrophobicContact CE2-CZ 3.96Å; F246-F255 HydrophobicContact CZ-CD1 4.21Å; F246-F255 HydrophobicContact CZ-CD2 4.02Å; F246-F255 AromaticContact CZ-CE1 3.92Å; F246-F255 HydrophobicContact CZ-CE1 3.92Å; F246-F255 AromaticContact CZ-CE2 3.74Å; F246-F255 HydrophobicContact CZ-CE2 3.74Å; F246-F255 HydrophobicContact CZ-CG 4.24Å; F246-F255 AromaticContact CZ-CZ 3.67Å; F246-F255 HydrophobicContact CZ-CZ 3.67Å; R251-F255 PolarHBondContact O-N 2.63Å; L252-F255 CarbonylContact O-C 3.5Å; L252-F255 WeakPolarHBondContact O-CA 3.41Å; L252-F255 WeakPolarHBondContact O-CB 3.39Å; L252-F255 PolarHBondContact O-N 3.03Å; F255-R259 WeakPolarHBondContact O-CA 3.1Å; F255-R259 WeakPolarHBondContact O-CD 3.41Å; F255-R259 PolarHBondContact O-N 3.45Å; F255-I261 HydrophobicContact CD2-CG1 3.77Å; F255-I261 HydrophobicContact CE2-CD1 4.41Å; F255-I261 HydrophobicContact CE2-CG1 4.05Å
256D83.7Confident90.3Very high112 Ų11248 Ų4860%0.59924%0.243SC*.Hα-helixtrans-67.6-40.2-180-68.2-25.4000112.3L252L252-D256 PolarHBondContact O-N 2.9Å
257S80.8Confident90.2Very high72 Ų7248.8 Ų48.850%0.50325%0.249SC..Hα-helixtrans-77.3-53.1179.459.40000113S253 K254S253-S257 PolarHBondContact O-N 3.42Å; S253-S257 PolarHBondContact O-OG 2.97Å; S253-S257 VanDerWaalsContact O-OG 3.14Å; K254-S257 PolarHBondContact O-OG 2.74Å
258E76.7Confident90.1Very high124 Ų12447 Ų4758%0.57924%0.244SC*.Hα-helixtrans-105.5-9.3-168.3-64.1170.8-157.600113.4K254 S260K254-E258 WeakPolarHBondContact O-CB 3.4Å; K254-E258 PolarHBondContact O-N 3.19Å; E258-S260 PolarHBondContact O-N 2.82Å
259R77.7Confident90.2Very high85 Ų8547.8 Ų47.832%0.32125%0.248SC..  trans5432.7-168.7-63.4-69.7-174.5179.81.7112.5I218 V219 F255I218-R259 HydrophobicContact CG2-CG 4.49Å; V219-R259 HydrophobicContact CG2-CB 3.48Å; V219-R259 VanDerWaalsContact CG2-CB 3.48Å; V219-R259 HydrophobicContact CG2-CG 4.31Å; F255-R259 WeakPolarHBondContact O-CA 3.1Å; F255-R259 WeakPolarHBondContact O-CD 3.41Å; F255-R259 PolarHBondContact O-N 3.45Å
260S81.5Confident90.2Very high11 Ų1148.5 Ų48.58%0.07725%0.251CS..  trans-108.3124.1-178.9-176.60000110E258 S262E258-S260 PolarHBondContact O-N 2.82Å; S260-S262 PolarHBondContact O-N 2.82Å
261I93.7Very high90.3Very high2 Ų251.4 Ų51.41%0.0126%0.264CS..EExtended strand (participates in β ladder)trans-87.996.1179.3-63162.1000107.8K211 F212 M214 F246 V250 F255 F263 M273K211-I261 CarbonylContact C-O 3.59Å; K211-I261 VanDerWaalsContact CA-O 3.31Å; K211-I261 WeakPolarHBondContact CA-O 3.04Å; F212-I261 HydrophobicContact CB-CB 4.22Å; F212-I261 HydrophobicContact CB-CG2 4.27Å; F212-I261 HydrophobicContact CD1-CB 4.35Å; F212-I261 HydrophobicContact CD1-CD1 3.66Å; F212-I261 HydrophobicContact CE1-CD1 4.17Å; F212-I261 PolarHBondContact N-O 2.75Å; M214-I261 HydrophobicContact CE-CD1 3.52Å; F246-I261 HydrophobicContact CE1-CD1 3.54Å; F246-I261 HydrophobicContact CE1-CG1 3.76Å; F246-I261 HydrophobicContact CE1-CG2 4.47Å; F246-I261 HydrophobicContact CZ-CD1 4.11Å; F246-I261 HydrophobicContact CZ-CG1 4.19Å; V250-I261 HydrophobicContact CG1-CG2 3.94Å; V250-I261 HydrophobicContact CG2-CG2 3.93Å; F255-I261 HydrophobicContact CD2-CG1 3.77Å; F255-I261 HydrophobicContact CE2-CD1 4.41Å; F255-I261 HydrophobicContact CE2-CG1 4.05Å; I261-F263 HydrophobicContact CG2-CD1 3.89Å; I261-F263 HydrophobicContact CG2-CE1 4.13Å; I261-M273 HydrophobicContact CD1-SD 3.86Å
262S95.5Very high90.4Very high0 Ų046.9 Ų46.90%025%0.247CC..EExtended strand (participates in β ladder)trans-106.7128.5178.8166.30000109.9E209 C210 R251 S260E209-S262 PolarHBondContact OE1-OG 2.85Å; C210-S262 WeakPolarHBondContact O-CA 3.4Å; R251-S262 PolarHBondContact N-O 2.85Å; S260-S262 PolarHBondContact O-N 2.82Å
263F96.7Very high90.6Very high0 Ų042.4 Ų42.40%022%0.224CC..EExtended strand (participates in β ladder)trans-157.8160.5-172.860.7-77.9000112.5M200 C210 F212 C249 V250 I261 P265 F270 L272 L402M200-F263 HydrophobicContact CE-CE2 4.2Å; M200-F263 HydrophobicContact CE-CZ 4.41Å; M200-F263 HydrophobicContact SD-CE2 3.71Å; M200-F263 HydrophobicContact SD-CZ 3.88Å; C210-F263 HydrophobicContact CB-CD1 4.24Å; C210-F263 HydrophobicContact CB-CD2 4.11Å; C210-F263 HydrophobicContact CB-CE1 3.85Å; C210-F263 HydrophobicContact CB-CE2 3.72Å; C210-F263 HydrophobicContact CB-CG 4.36Å; C210-F263 HydrophobicContact CB-CZ 3.57Å; C210-F263 PolarHBondContact N-O 3.25Å; C210-F263 PolarHBondContact O-N 2.82Å; F212-F263 HydrophobicContact CB-CE1 3.8Å; F212-F263 HydrophobicContact CB-CZ 4.45Å; C249-F263 HydrophobicContact CB-CB 4.33Å; C249-F263 WeakPolarHBondContact O-CA 3.35Å; C249-F263 WeakPolarHBondContact O-CB 3.38Å; V250-F263 HydrophobicContact CG2-CB 4.11Å; I261-F263 HydrophobicContact CG2-CD1 3.89Å; I261-F263 HydrophobicContact CG2-CE1 4.13Å; F263-P265 HydrophobicContact CD2-CB 4.11Å; F263-P265 HydrophobicContact CE2-CB 3.93Å; F263-P265 HydrophobicContact CE2-CG 4.48Å; F263-F270 HydrophobicContact CE2-CZ 4.22Å; F263-L272 HydrophobicContact CD1-CD1 3.98Å; F263-L272 HydrophobicContact CD2-CD1 3.78Å; F263-L272 HydrophobicContact CE1-CD1 3.95Å; F263-L272 HydrophobicContact CE1-CD2 3.87Å; F263-L272 HydrophobicContact CE2-CD1 3.73Å; F263-L272 HydrophobicContact CE2-CD2 4.26Å; F263-L272 HydrophobicContact CG-CD1 3.91Å; F263-L272 HydrophobicContact CZ-CD1 3.82Å; F263-L272 HydrophobicContact CZ-CD2 3.63Å; F263-L272 HydrophobicContact CZ-CG 4.39Å; F263-L402 HydrophobicContact CZ-CD1 4.45Å
264I96.3Very high91Very high17 Ų1744.7 Ų44.79%0.08722%0.218CC..  trans-106.3113.1165.7-67.4167000106.5I157 W159 R160 M207 C249I157-I264 HydrophobicContact CD1-CD1 3.44Å; I157-I264 VanDerWaalsContact CD1-CD1 3.44Å; W159-I264 PolarHBondContact NE1-O 3.29Å; R160-I264 HydrophobicContact CB-CG2 4.37Å; M207-I264 HydrophobicContact CE-CG2 4.29Å; C249-I264 WeakPolarHBondContact CB-O 3.48Å
265P96.3Very high91.4Very high0 Ų042 Ų420%021%0.206CC..PPolyproline II helixtrans-70.8135.8-170.926.2-32.2000111.9R160 M200 L204 P208 F263 F270R160-P265 WeakPolarHBondContact CD-O 3.44Å; R160-P265 PolarHBondContact NH1-O 2.65Å; M200-P265 HydrophobicContact CE-CB 4.14Å; M200-P265 HydrophobicContact CE-CG 4.4Å; M200-P265 HydrophobicContact SD-CB 4.46Å; L204-P265 HydrophobicContact CD1-CG 4.09Å; P208-P265 HydrophobicContact CG-CG 4.41Å; P208-P265 WeakPolarHBondContact O-CD 3.37Å; F263-P265 HydrophobicContact CD2-CB 4.11Å; F263-P265 HydrophobicContact CE2-CB 3.93Å; F263-P265 HydrophobicContact CE2-CG 4.48Å; P265-F270 HydrophobicContact CB-CE1 3.74Å; P265-F270 HydrophobicContact CB-CZ 3.71Å
266P94.4Very high91.8Very high14 Ų1446 Ų469%0.09122%0.221CC..PPolyproline II helixtrans-49152.4157.9-22.631.3000111.4W159 S202 F270W159-P266 HydrophobicContact CB-CG 4.12Å; W159-P266 HydrophobicContact CG-CG 4.21Å; S202-P266 WeakPolarHBondContact CB-O 3.25Å; P266-F270 HydrophobicContact CB-CB 4.39Å; P266-F270 HydrophobicContact CB-CD1 4Å; P266-F270 HydrophobicContact CB-CE1 4.5Å; P266-F270 HydrophobicContact CB-CG 4.1Å; P266-F270 HydrophobicContact CG-CB 4.36Å; P266-F270 HydrophobicContact CG-CD1 4.12Å; P266-F270 HydrophobicContact CG-CD2 3.95Å; P266-F270 HydrophobicContact CG-CE1 4.44Å; P266-F270 HydrophobicContact CG-CE2 4.28Å; P266-F270 HydrophobicContact CG-CG 3.88Å
267D93.2Very high92.4Very high59 Ų5940.7 Ų40.732%0.31619%0.193SC..SBendtrans-78.6140.5176.2-164.661.9000111.3R160 I164 Y166R160-D267 IonicContact NH1-OD1 2.7Å; I164-D267 HydrophobicContact CD1-CB 3.81Å; Y166-D267 WeakPolarHBondContact CE2-OD1 3.38Å; Y166-D267 VanDerWaalsContact OH-CG 3.27Å; Y166-D267 PolarHBondContact OH-OD1 2.85Å; Y166-D267 VanDerWaalsContact OH-OD1 3.07Å; Y166-D267 PolarHBondContact OH-OD2 3.36Å
268G93.5Very high93Very high14 Ų1440.1 Ų40.114%0.14419%0.186CC..EExtended strand (participates in β ladder)trans78.4-148.1-176.200000113.9K201 S202K201-G268 CarbonylContact C-O 3.47Å; K201-G268 VanDerWaalsContact CA-O 3.32Å; K201-G268 WeakPolarHBondContact CA-O 3.44Å; S202-G268 PolarHBondContact N-O 2.85Å; S202-G268 PolarHBondContact O-N 2.81Å
269E94.4Very high93.5Very high125 Ų12540.3 Ų40.358%0.58419%0.185SC*.EExtended strand (participates in β ladder)trans-89.5126.1-173.9-176.7172.7147.300112.1V199 M200 K201V199-E269 HydrophobicContact CG1-CG 3.78Å; M200-E269 CarbonylContact O-C 3.53Å; M200-E269 WeakPolarHBondContact O-CA 3.44Å; K201-E269 HydrophobicContact CD-CB 4.49Å; K201-E269 WeakPolarHBondContact CE-OE2 3.37Å; K201-E269 HydrophobicContact CG-CB 4.06Å; K201-E269 HydrophobicContact CG-CG 4.09Å; K201-E269 IonicContact NZ-OE2 2.71Å; K201-E269 PolarHBondContact NZ-OE2 2.9Å
270F94.4Very high93.9Very high20 Ų2041.9 Ų41.99%0.08820%0.2CC..EExtended strand (participates in β ladder)trans-148.8158.5173.971.9-78000111.7M200 F263 P265 P266 L272M200-F270 HydrophobicContact CB-CD1 4.33Å; M200-F270 HydrophobicContact CB-CE1 3.76Å; M200-F270 HydrophobicContact CB-CZ 3.86Å; M200-F270 HydrophobicContact CG-CE1 3.8Å; M200-F270 HydrophobicContact CG-CZ 4.01Å; M200-F270 PolarHBondContact N-O 2.83Å; M200-F270 PolarHBondContact O-N 3.13Å; M200-F270 HydrophobicContact SD-CE1 3.99Å; M200-F270 HydrophobicContact SD-CZ 3.69Å; F263-F270 HydrophobicContact CE2-CZ 4.22Å; P265-F270 HydrophobicContact CB-CE1 3.74Å; P265-F270 HydrophobicContact CB-CZ 3.71Å; P266-F270 HydrophobicContact CB-CB 4.39Å; P266-F270 HydrophobicContact CB-CD1 4Å; P266-F270 HydrophobicContact CB-CE1 4.5Å; P266-F270 HydrophobicContact CB-CG 4.1Å; P266-F270 HydrophobicContact CG-CB 4.36Å; P266-F270 HydrophobicContact CG-CD1 4.12Å; P266-F270 HydrophobicContact CG-CD2 3.95Å; P266-F270 HydrophobicContact CG-CE1 4.44Å; P266-F270 HydrophobicContact CG-CE2 4.28Å; P266-F270 HydrophobicContact CG-CG 3.88Å; F270-L272 HydrophobicContact CE2-CB 3.89Å; F270-L272 HydrophobicContact CE2-CD1 3.97Å; F270-L272 HydrophobicContact CZ-CB 4.49Å; F270-L272 HydrophobicContact CZ-CD1 4.47Å
271E96.7Very high94.4Very high69 Ų6942.7 Ų42.732%0.32220%0.203SC..EExtended strand (participates in β ladder)trans-87111.9172.4-171174.4123.900109R197 H247R197-E271 HydrophobicContact CB-CG 4.19Å; R197-E271 WeakPolarHBondContact CD-OE2 3.38Å; R197-E271 IonicContact NE-OE2 3.18Å; R197-E271 IonicContact NH1-OE2 2.76Å; R197-E271 PolarHBondContact NH1-OE2 2.87Å; H247-E271 WeakPolarHBondContact CB-O 3.39Å
272L97.1Very high94.4Very high0 Ų045.4 Ų45.40%022%0.217CC..EExtended strand (participates in β ladder)trans-74.1-44.6-178.7173.463.1000111.6V198 F212 H247 V250 F263 F270V198-L272 PolarHBondContact O-N 2.88Å; F212-L272 HydrophobicContact CB-CD2 4.38Å; F212-L272 HydrophobicContact CG-CD2 4.33Å; H247-L272 WeakPolarHBondContact CB-O 3.24Å; H247-L272 PolarHBondContact N-O 3.41Å; V250-L272 HydrophobicContact CG2-CD1 3.78Å; F263-L272 HydrophobicContact CD1-CD1 3.98Å; F263-L272 HydrophobicContact CD2-CD1 3.78Å; F263-L272 HydrophobicContact CE1-CD1 3.95Å; F263-L272 HydrophobicContact CE1-CD2 3.87Å; F263-L272 HydrophobicContact CE2-CD1 3.73Å; F263-L272 HydrophobicContact CE2-CD2 4.26Å; F263-L272 HydrophobicContact CG-CD1 3.91Å; F263-L272 HydrophobicContact CZ-CD1 3.82Å; F263-L272 HydrophobicContact CZ-CD2 3.63Å; F263-L272 HydrophobicContact CZ-CG 4.39Å; F270-L272 HydrophobicContact CE2-CB 3.89Å; F270-L272 HydrophobicContact CE2-CD1 3.97Å; F270-L272 HydrophobicContact CZ-CB 4.49Å; F270-L272 HydrophobicContact CZ-CD1 4.47Å
273M96.8Very high94.3Very high2 Ų247.2 Ų47.21%0.0123%0.226CC..EExtended strand (participates in β ladder)trans-154.4155.3179.865.7174.2-67.700111.9R197 V198 F212 M214 C244 T245 F246 I261 Y275R197-M273 CarbonylContact C-O 3.51Å; R197-M273 VanDerWaalsContact CA-O 3.28Å; R197-M273 WeakPolarHBondContact CA-O 3.39Å; V198-M273 HydrophobicContact CB-CG 3.78Å; V198-M273 HydrophobicContact CG2-CG 3.64Å; V198-M273 HydrophobicContact CG2-SD 4.1Å; V198-M273 PolarHBondContact N-O 2.89Å; F212-M273 HydrophobicContact CD1-SD 4.48Å; F212-M273 HydrophobicContact CE1-SD 3.95Å; M214-M273 HydrophobicContact CE-CE 3.95Å; M214-M273 HydrophobicContact CE-SD 4.21Å; M214-M273 HydrophobicContact SD-CE 4.17Å; M214-M273 HydrophobicContact SD-SD 4.23Å; C244-M273 HydrophobicContact CB-CE 4.08Å; T245-M273 CarbonylContact O-C 3.56Å; T245-M273 VanDerWaalsContact O-CA 3.23Å; T245-M273 WeakPolarHBondContact O-CA 3.3Å; T245-M273 WeakPolarHBondContact O-CB 3.07Å; F246-M273 HydrophobicContact CD1-CB 3.63Å; F246-M273 HydrophobicContact CE1-CB 3.87Å; F246-M273 HydrophobicContact CE1-CE 4Å; F246-M273 HydrophobicContact CE1-SD 4.01Å; F246-M273 HydrophobicContact CZ-CE 4.48Å; I261-M273 HydrophobicContact CD1-SD 3.86Å; M273-Y275 HydrophobicContact CE-CD1 3.95Å; M273-Y275 HydrophobicContact CE-CG 4.35Å
274R97.4Very high94.3Very high140 Ų14047.2 Ų47.253%0.52823%0.226SC..EExtended strand (participates in β ladder)trans-119.2148.2167.7-158.7176.1-172.6178.12.1108.6G196 R197 C244 T245G196-R274 WeakPolarHBondContact O-CA 3.22Å; G196-R274 WeakPolarHBondContact O-CG 3.4Å; R197-R274 HydrophobicContact CB-CG 4.31Å; C244-R274 CarbonylContact C-O 3.59Å; C244-R274 WeakPolarHBondContact CA-O 3.34Å; C244-R274 WeakPolarHBondContact CB-O 3.32Å; T245-R274 PolarHBondContact N-O 2.79Å; T245-R274 PolarHBondContact O-N 2.9Å; T245-R274 WeakPolarHBondContact OG1-CB 3.04Å
275Y95.7Very high94.3Very high4 Ų446.5 Ų46.52%0.01622%0.222CC..EExtended strand (participates in β ladder)trans-147.5157.7178.659.3-83.1000111.1V175 E177 G196 V198 I239 D243 M273 L397V175-Y275 VanDerWaalsContact CG1-OH 3.25Å; V175-Y275 WeakPolarHBondContact CG1-OH 3.28Å; E177-Y275 WeakPolarHBondContact CG-OH 3.21Å; E177-Y275 WeakPolarHBondContact OE1-CE2 3.33Å; E177-Y275 PolarHBondContact OE1-OH 2.92Å; G196-Y275 PolarHBondContact N-O 2.83Å; G196-Y275 PolarHBondContact O-N 2.94Å; G196-Y275 VanDerWaalsContact O-O 3.12Å; V198-Y275 HydrophobicContact CG2-CE1 4.03Å; I239-Y275 HydrophobicContact CD1-CD2 4.39Å; I239-Y275 HydrophobicContact CD1-CE2 4.17Å; D243-Y275 CarbonylContact O-C 3.57Å; D243-Y275 VanDerWaalsContact O-CA 3.26Å; D243-Y275 WeakPolarHBondContact O-CA 3.47Å; M273-Y275 HydrophobicContact CE-CD1 3.95Å; M273-Y275 HydrophobicContact CE-CG 4.35Å; Y275-L397 HydrophobicContact CD1-CD1 4.43Å; Y275-L397 HydrophobicContact CD2-CD1 4.39Å; Y275-L397 HydrophobicContact CE1-CD1 3.89Å; Y275-L397 HydrophobicContact CE2-CD1 3.84Å
276R96Very high94.2Very high97 Ų9752.2 Ų52.237%0.36624%0.244SC..EExtended strand (participates in β ladder)trans-128.9141.6173.6-169.2177.663.4108.75.2110.2V194 D242 D243V194-R276 WeakPolarHBondContact O-CA 3.4Å; D242-R276 PolarHBondContact N-O 3.48Å; D243-R276 PolarHBondContact O-N 2.91Å; D243-R276 IonicContact OD1-CZ 3.39Å; D243-R276 IonicContact OD1-NE 3.13Å; D243-R276 PolarHBondContact OD1-NE 2.9Å; D243-R276 IonicContact OD1-NH2 3.23Å; D243-R276 PolarHBondContact OD1-NH2 2.93Å; D243-R276 VanDerWaalsContact OD2-CB 3.3Å; D243-R276 WeakPolarHBondContact OD2-CB 3.34Å; D243-R276 IonicContact OD2-NE 2.87Å
277T94.8Very high94.2Very high0 Ų051.6 Ų51.60%024%0.24CC..EExtended strand (participates in β ladder)trans-137.9134175.5-70.10000109.6H193 V194 I239 A240 D242 K279 I281H193-T277 CarbonylContact C-O 3.55Å; H193-T277 WeakPolarHBondContact CA-O 3.35Å; V194-T277 PolarHBondContact N-O 3.41Å; V194-T277 PolarHBondContact O-N 3.43Å; I239-T277 HydrophobicContact CG1-CG2 4.47Å; A240-T277 WeakPolarHBondContact O-CB 3.45Å; A240-T277 WeakPolarHBondContact O-CG2 3.33Å; A240-T277 PolarHBondContact O-OG1 3.42Å; D242-T277 WeakPolarHBondContact OD2-CA 3.49Å; T277-K279 WeakPolarHBondContact CG2-O 3.3Å; T277-I281 HydrophobicContact CG2-CG1 4.34Å; T277-I281 WeakPolarHBondContact O-CD1 3.47Å
278T94Very high94.2Very high59 Ų5951.8 Ų51.836%0.36224%0.24SC..  trans-111.4-10.4177.555.80000112.7H193 D242H193-T278 HydrophobicContact CB-CG2 3.81Å; D242-T278 PolarHBondContact OD1-OG1 3.15Å; D242-T278 WeakPolarHBondContact OD2-CB 3.22Å; D242-T278 WeakPolarHBondContact OD2-CG2 3.17Å; D242-T278 PolarHBondContact OD2-N 3.09Å; D242-T278 PolarHBondContact OD2-OG1 2.84Å
279K87.4Confident94.2Very high129 Ų12951.8 Ų51.856%0.56124%0.238SC*.SBendtrans-112.2152-174.8-62.5179.7-176.9174.50111.7T277 I281T277-K279 WeakPolarHBondContact CG2-O 3.3Å; K279-I281 PolarHBondContact O-N 3.31Å; K279-I281 VanDerWaalsContact O-N 3.09Å
280D87.2Confident94.1Very high118 Ų11851.3 Ų51.363%0.63124%0.239SC*.SBendtrans54.830.3172.4-53.7-39.3000114.9
281I91.6Very high94Very high27 Ų2751.6 Ų51.614%0.13824%0.242CC..  trans-77.5131.5-179.3-57.5162.2000110.3A192 H193 V194 T277 K279 L283 P394A192-I281 HydrophobicContact CB-CD1 4.29Å; H193-I281 VanDerWaalsContact CA-CD1 3.47Å; V194-I281 HydrophobicContact CG2-CB 4.34Å; V194-I281 HydrophobicContact CG2-CD1 4.09Å; V194-I281 HydrophobicContact CG2-CG1 3.93Å; V194-I281 HydrophobicContact CG2-CG2 3.48Å; V194-I281 VanDerWaalsContact CG2-CG2 3.48Å; T277-I281 HydrophobicContact CG2-CG1 4.34Å; T277-I281 WeakPolarHBondContact O-CD1 3.47Å; K279-I281 PolarHBondContact O-N 3.31Å; K279-I281 VanDerWaalsContact O-N 3.09Å; I281-L283 HydrophobicContact CG2-CD2 4.1Å; I281-L283 PolarHBondContact O-N 3Å; I281-P394 HydrophobicContact CG2-CB 4.48Å
282I92.3Very high93.8Very high60 Ų6055.1 Ų55.131%0.30825%0.252SS..  trans-82.8109.6170.1-57.1170.3000108.5P284 F392 P394I282-P284 VanDerWaalsContact O-CD 3.22Å; I282-P284 WeakPolarHBondContact O-CD 3.35Å; I282-F392 HydrophobicContact CB-CE2 4.26Å; I282-F392 HydrophobicContact CG2-CE2 4.03Å; I282-F392 HydrophobicContact CG2-CZ 4.3Å; I282-P394 PolarHBondContact N-O 2.49Å
283L94.8Very high93.4Very high37 Ų3759.7 Ų59.719%0.19427%0.274CS..  trans-77.5113.4174.1-60.7-178.1000110V179 L181 V189 A192 I281 F285V179-L283 HydrophobicContact CG1-CD2 4.22Å; L181-L283 HydrophobicContact CD1-CD1 3.42Å; L181-L283 VanDerWaalsContact CD1-CD1 3.42Å; L181-L283 HydrophobicContact CD1-CD2 3.44Å; L181-L283 VanDerWaalsContact CD1-CD2 3.44Å; L181-L283 HydrophobicContact CD1-CG 4.01Å; V189-L283 HydrophobicContact CG2-CD1 3.7Å; A192-L283 HydrophobicContact CB-CD2 4.35Å; I281-L283 HydrophobicContact CG2-CD2 4.1Å; I281-L283 PolarHBondContact O-N 3Å; L283-F285 VanDerWaalsContact C-N 3.28Å; L283-F285 PolarHBondContact O-N 2.95Å
284P95.8Very high93Very high0 Ų062 Ų620%029%0.288CS..SBendtrans-70.9-24.7-171.8-20.734.6000113.5I282 S307 N308 F309 F388 V390 F392 P394I282-P284 VanDerWaalsContact O-CD 3.22Å; I282-P284 WeakPolarHBondContact O-CD 3.35Å; P284-S307 WeakPolarHBondContact O-CA 3.31Å; P284-N308 PolarHBondContact O-N 2.54Å; P284-F309 HydrophobicContact CB-CD1 4.1Å; P284-F309 VanDerWaalsContact O-CD1 3.24Å; P284-F309 WeakPolarHBondContact O-CD1 3.28Å; P284-F388 HydrophobicContact CB-CE2 4.07Å; P284-F388 HydrophobicContact CB-CZ 4.27Å; P284-F388 HydrophobicContact CG-CE2 3.8Å; P284-F388 HydrophobicContact CG-CZ 3.95Å; P284-V390 HydrophobicContact CB-CG1 4.09Å; P284-V390 HydrophobicContact CG-CG2 4.25Å; P284-F392 HydrophobicContact CB-CE1 4.47Å; P284-F392 HydrophobicContact CB-CZ 4.07Å; P284-F392 HydrophobicContact CG-CZ 3.91Å; P284-P394 HydrophobicContact CG-CG 4.35Å
285F96.1Very high92.5Very high3 Ų358.5 Ų58.51%0.01330%0.295CS..EExtended strand (participates in β ladder)trans-132.2163.4179.5-68-81000111.2L283 K306 F309 A315 I318 M356 M386 F388 V390 Y429L283-F285 VanDerWaalsContact C-N 3.28Å; L283-F285 PolarHBondContact O-N 2.95Å; F285-K306 CarbonylContact C-O 3.51Å; F285-K306 VanDerWaalsContact CA-O 3.24Å; F285-K306 WeakPolarHBondContact CA-O 3.32Å; F285-F309 HydrophobicContact CE1-CE1 4.22Å; F285-F309 HydrophobicContact CE2-CE1 4.29Å; F285-F309 AromaticContact CZ-CE1 3.94Å; F285-F309 HydrophobicContact CZ-CE1 3.94Å; F285-F309 HydrophobicContact CZ-CZ 4.45Å; F285-A315 HydrophobicContact CE2-CB 4.08Å; F285-A315 HydrophobicContact CZ-CB 3.54Å; F285-I318 HydrophobicContact CE1-CD1 4.35Å; F285-I318 HydrophobicContact CZ-CD1 3.91Å; F285-I318 HydrophobicContact CZ-CG1 4.29Å; F285-M356 HydrophobicContact CE1-SD 3.9Å; F285-M386 HydrophobicContact CB-CE 4Å; F285-M386 HydrophobicContact CB-SD 3.73Å; F285-M386 HydrophobicContact CD1-CE 3.47Å; F285-M386 VanDerWaalsContact CD1-CE 3.47Å; F285-M386 HydrophobicContact CD1-SD 4.34Å; F285-M386 HydrophobicContact CD2-CE 3.64Å; F285-M386 HydrophobicContact CD2-SD 4.15Å; F285-M386 HydrophobicContact CE1-CE 3.72Å; F285-M386 HydrophobicContact CE2-CE 3.91Å; F285-M386 HydrophobicContact CG-CE 3.41Å; F285-M386 VanDerWaalsContact CG-CE 3.41Å; F285-M386 HydrophobicContact CG-SD 3.82Å; F285-M386 HydrophobicContact CZ-CE 3.93Å; F285-F388 HydrophobicContact CD2-CB 4.34Å; F285-F388 AromaticContact CD2-CD1 3.57Å; F285-F388 HydrophobicContact CD2-CD1 3.57Å; F285-F388 HydrophobicContact CD2-CD2 4.16Å; F285-F388 AromaticContact CD2-CE1 3.81Å; F285-F388 HydrophobicContact CD2-CE1 3.81Å; F285-F388 HydrophobicContact CD2-CE2 4.37Å; F285-F388 AromaticContact CD2-CG 3.76Å; F285-F388 HydrophobicContact CD2-CG 3.76Å; F285-F388 HydrophobicContact CD2-CZ 4.2Å; F285-F388 HydrophobicContact CE2-CB 3.73Å; F285-F388 AromaticContact CE2-CD1 3.85Å; F285-F388 HydrophobicContact CE2-CD1 3.85Å; F285-F388 AromaticContact CE2-CD2 3.89Å; F285-F388 HydrophobicContact CE2-CD2 3.89Å; F285-F388 HydrophobicContact CE2-CE1 4.44Å; F285-F388 HydrophobicContact CE2-CE2 4.47Å; F285-F388 AromaticContact CE2-CG 3.54Å; F285-F388 HydrophobicContact CE2-CG 3.54Å; F285-V390 HydrophobicContact CE2-CG1 4.27Å; F285-Y429 HydrophobicContact CB-CE1 4.49Å; F285-Y429 PolarHBondContact O-OH 2.71Å
286R94.6Very high92Very high119 Ų11968.9 Ų68.945%0.44933%0.334SS..EExtended strand (participates in β ladder)trans-133.4122.5164-174.1175.2-178.1167.70.1107.3M183 G187 I288 I305 K306M183-R286 HydrophobicContact CE-CG 4.24Å; M183-R286 HydrophobicContact SD-CG 4.42Å; G187-R286 PolarHBondContact O-NH2 3.13Å; R286-I288 HydrophobicContact CG-CG1 4.18Å; R286-I305 WeakPolarHBondContact O-CA 3.25Å; R286-K306 PolarHBondContact N-O 3.36Å; R286-K306 PolarHBondContact O-N 3.19Å
287V94.8Very high91.7Very high1 Ų167.9 Ų67.91%0.00634%0.339CS..EExtended strand (participates in β ladder)trans-101.3122.7178.2-175.10000108M183 P289 V303 V304 I305 I384 M386M183-V287 WeakPolarHBondContact CE-O 3.24Å; V287-P289 WeakPolarHBondContact O-CD 3.38Å; V287-V303 HydrophobicContact CG1-CG1 3.74Å; V287-V304 CarbonylContact C-O 3.6Å; V287-I305 HydrophobicContact CG1-CG2 4.29Å; V287-I305 HydrophobicContact CG2-CG2 4.12Å; V287-I384 HydrophobicContact CG1-CG2 4Å; V287-M386 HydrophobicContact CG2-CB 4.37Å; V287-M386 HydrophobicContact CG2-SD 3.75Å
288I93.8Very high91.6Very high63 Ų6370.5 Ų70.532%0.32335%0.351SS..EExtended strand (participates in β ladder)trans-116.998.3-178.7-55172.1000106.9R286 V304 K306R286-I288 HydrophobicContact CG-CG1 4.18Å; I288-V304 HydrophobicContact CB-CB 4.31Å; I288-V304 PolarHBondContact N-O 2.78Å; I288-V304 PolarHBondContact O-N 2.82Å; I288-K306 HydrophobicContact CD1-CD 4.27Å
289P93.7Very high91.5Very high15 Ų1567.8 Ų67.810%0.09733%0.334CS..EExtended strand (participates in β ladder)trans-87.9138.1176.135.5-34000111.6V287 V303 I384 T431 C433V287-P289 WeakPolarHBondContact O-CD 3.38Å; P289-V303 HydrophobicContact CB-CG2 4.47Å; P289-I384 HydrophobicContact CB-CD1 3.36Å; P289-I384 HydrophobicContact CG-CD1 4.17Å; P289-T431 HydrophobicContact CG-CG2 3.86Å; P289-C433 HydrophobicContact CB-CB 4.04Å; P289-C433 HydrophobicContact CG-CB 4.03Å
290L92.6Very high91.9Very high115 Ų11564 Ų6460%0.60232%0.319SS*.EExtended strand (participates in β ladder)trans-124.6115.9170.6-17485.8000107.2V301 K302L290-V301 WeakPolarHBondContact O-CA 3.46Å; L290-K302 HydrophobicContact CB-CB 4.27Å; L290-K302 HydrophobicContact CD2-CB 4.48Å; L290-K302 PolarHBondContact N-O 3.02Å; L290-K302 PolarHBondContact O-N 3.16Å
291V91.5Very high92.2Very high26 Ų2658.8 Ų58.816%0.15829%0.291CS..EExtended strand (participates in β ladder)trans-120120.9-179.2-179.60000108.6L299 E300 V301 C433V291-L299 HydrophobicContact CG1-CD1 3.56Å; V291-L299 HydrophobicContact CG1-CD2 4.34Å; V291-L299 HydrophobicContact CG1-CG 4.13Å; V291-E300 WeakPolarHBondContact CA-O 3.07Å; V291-V301 HydrophobicContact CG1-CG2 4.35Å; V291-V301 HydrophobicContact CG2-CG1 4.31Å; V291-V301 HydrophobicContact CG2-CG2 4.33Å; V291-C433 HydrophobicContact CG2-CB 3.96Å
292R91.4Very high92.4Very high142 Ų14261.4 Ų61.454%0.53630%0.301SS..EExtended strand (participates in β ladder)trans-121.6121.4178.9-173.2178.478.8176.15.1109.9V294 E300R292-V294 HydrophobicContact CG-CG2 4.38Å; R292-E300 HydrophobicContact CB-CB 4.41Å; R292-E300 IonicContact CZ-OE1 2.68Å; R292-E300 IonicContact CZ-OE2 3.19Å; R292-E300 PolarHBondContact N-O 2.79Å; R292-E300 IonicContact NE-OE2 3.41Å; R292-E300 PolarHBondContact NE-OE2 2.91Å; R292-E300 VanDerWaalsContact NE-OE2 3.14Å; R292-E300 IonicContact NH2-OE1 2.65Å; R292-E300 PolarHBondContact NH2-OE1 3.17Å; R292-E300 IonicContact NH2-OE2 3.76Å; R292-E300 PolarHBondContact NH2-OE2 3.28Å; R292-E300 PolarHBondContact O-N 3.14Å
293E88.9Confident92.6Very high96 Ų9658.5 Ų58.545%0.44929%0.286SS..EExtended strand (participates in β ladder)trans-81.7129.5169.8-75.7168.3-150.300109.2L299 R381E293-L299 HydrophobicContact CB-CD1 4.38Å; E293-L299 HydrophobicContact CG-CD1 3.43Å; E293-L299 VanDerWaalsContact CG-CD1 3.43Å; E293-R381 IonicContact OE1-CZ 2.9Å; E293-R381 IonicContact OE1-NE 3.33Å; E293-R381 IonicContact OE1-NH2 3.14Å; E293-R381 PolarHBondContact OE1-NH2 2.8Å
294V89.9Confident92.6Very high52 Ų5257.6 Ų57.632%0.31528%0.282SS..EExtended strand (participates in β ladder)trans-116.598.8177.8-178.60000107.8R292 K298 E300R292-V294 HydrophobicContact CG-CG2 4.38Å; V294-K298 HydrophobicContact CB-CB 4.18Å; V294-K298 PolarHBondContact N-O 2.67Å; V294-K298 PolarHBondContact O-N 3.49Å; V294-E300 HydrophobicContact CG2-CG 4.22Å
295G85.8Confident92.6Very high66 Ų6657.6 Ų57.668%0.6828%0.282SS*.THydrogen-bonded Turntrans65.2-138.6-173.300000112.1
296R84.8Confident92.6Very high221 Ų22161.2 Ų61.283%0.83430%0.298SS*.THydrogen-bonded Turntrans-112-4.9178.9-65.9-172.5178.7173.72.2114.1
297T89.6Confident92.7Very high77 Ų7755.9 Ų55.947%0.47228%0.279SS..THydrogen-bonded Turntrans-119.6-5.3-168.153.50000113.1L370 P372T297-L370 PolarHBondContact O-N 3.45Å; T297-P372 HydrophobicContact CG2-CG 4.08Å
298K92.3Very high92.7Very high55 Ų5560 Ų6024%0.23930%0.301CS..EExtended strand (participates in β ladder)trans-141.3139.4-177.1-170.5179.1-174.5-175.80111.7V294 E300 E367 I368V294-K298 HydrophobicContact CB-CB 4.18Å; V294-K298 PolarHBondContact N-O 2.67Å; V294-K298 PolarHBondContact O-N 3.49Å; K298-E300 IonicContact NZ-OE1 2.76Å; K298-E367 VanDerWaalsContact CE-CD 3.42Å; K298-E367 WeakPolarHBondContact CE-OE2 3.21Å; K298-E367 IonicContact NZ-OE1 3.96Å; K298-E367 PolarHBondContact NZ-OE1 2.77Å; K298-E367 IonicContact NZ-OE2 3.06Å; K298-E367 PolarHBondContact NZ-OE2 2.89Å; K298-I368 CarbonylContact C-O 3.56Å; K298-I368 WeakPolarHBondContact CA-O 3.5Å
299L92.9Very high92.8Very high2 Ų257.7 Ų57.71%0.0129%0.288CS..EExtended strand (participates in β ladder)trans-127.1123.7173.6-176.176.5000108.7V291 E293 V301 P325 I368 L370 W379V291-L299 HydrophobicContact CG1-CD1 3.56Å; V291-L299 HydrophobicContact CG1-CD2 4.34Å; V291-L299 HydrophobicContact CG1-CG 4.13Å; E293-L299 HydrophobicContact CB-CD1 4.38Å; E293-L299 HydrophobicContact CG-CD1 3.43Å; E293-L299 VanDerWaalsContact CG-CD1 3.43Å; L299-V301 HydrophobicContact CD2-CG2 4.03Å; L299-V301 HydrophobicContact CG-CG2 4.07Å; L299-P325 HydrophobicContact CD2-CG 3.92Å; L299-I368 HydrophobicContact CB-CB 4.19Å; L299-I368 HydrophobicContact CD2-CD1 4.13Å; L299-I368 PolarHBondContact N-O 2.8Å; L299-I368 PolarHBondContact O-N 3.05Å; L299-L370 HydrophobicContact CB-CD1 4.15Å; L299-W379 HydrophobicContact CD2-CE3 4.19Å; L299-W379 HydrophobicContact CD2-CH2 4.37Å; L299-W379 HydrophobicContact CD2-CZ3 3.64Å
300E95.1Very high92.9Very high50 Ų5064 Ų6423%0.23431%0.314CS..EExtended strand (participates in β ladder)trans-101.6127.6174.5-70175.2-158.900109.5V291 R292 V294 K298V291-E300 WeakPolarHBondContact CA-O 3.07Å; R292-E300 HydrophobicContact CB-CB 4.41Å; R292-E300 IonicContact CZ-OE1 2.68Å; R292-E300 IonicContact CZ-OE2 3.19Å; R292-E300 PolarHBondContact N-O 2.79Å; R292-E300 IonicContact NE-OE2 3.41Å; R292-E300 PolarHBondContact NE-OE2 2.91Å; R292-E300 VanDerWaalsContact NE-OE2 3.14Å; R292-E300 IonicContact NH2-OE1 2.65Å; R292-E300 PolarHBondContact NH2-OE1 3.17Å; R292-E300 IonicContact NH2-OE2 3.76Å; R292-E300 PolarHBondContact NH2-OE2 3.28Å; R292-E300 PolarHBondContact O-N 3.14Å; V294-E300 HydrophobicContact CG2-CG 4.22Å; K298-E300 IonicContact NZ-OE1 2.76Å
301V94.8Very high93.1Very high8 Ų862.7 Ų62.75%0.04831%0.313CS..EExtended strand (participates in β ladder)trans-124.9122-178.4-178.90000109.1L290 V291 L299 V303 I322 S365 A366 I368L290-V301 WeakPolarHBondContact O-CA 3.46Å; V291-V301 HydrophobicContact CG1-CG2 4.35Å; V291-V301 HydrophobicContact CG2-CG1 4.31Å; V291-V301 HydrophobicContact CG2-CG2 4.33Å; L299-V301 HydrophobicContact CD2-CG2 4.03Å; L299-V301 HydrophobicContact CG-CG2 4.07Å; V301-V303 HydrophobicContact CG1-CG2 3.91Å; V301-I322 HydrophobicContact CG1-CG2 3.89Å; V301-S365 CarbonylContact O-C 3.54Å; V301-S365 WeakPolarHBondContact O-CA 3.41Å; V301-A366 PolarHBondContact N-O 2.95Å; V301-A366 PolarHBondContact O-N 2.76Å; V301-I368 HydrophobicContact CG2-CD1 3.8Å
302K95.5Very high93.3Very high81 Ų8166.4 Ų66.435%0.35234%0.339SS..EExtended strand (participates in β ladder)trans-117.5125.5170.1-178.1177.3-177.9177.20108.9L290 I364L290-K302 HydrophobicContact CB-CB 4.27Å; L290-K302 HydrophobicContact CD2-CB 4.48Å; L290-K302 PolarHBondContact N-O 3.02Å; L290-K302 PolarHBondContact O-N 3.16Å; K302-I364 WeakPolarHBondContact CA-O 3.33Å
303V95.7Very high93.6Very high0 Ų061.9 Ų61.90%033%0.326CS..EExtended strand (participates in β ladder)trans-122121.9177.8-179.60000109V287 P289 V301 I305 I322 Q363 I364 I384V287-V303 HydrophobicContact CG1-CG1 3.74Å; P289-V303 HydrophobicContact CB-CG2 4.47Å; V301-V303 HydrophobicContact CG1-CG2 3.91Å; V303-I305 HydrophobicContact CG1-CG2 4.37Å; V303-I322 HydrophobicContact CB-CD1 3.94Å; V303-I322 HydrophobicContact CG1-CD1 4.38Å; V303-I322 HydrophobicContact CG2-CD1 3.55Å; V303-I322 HydrophobicContact CG2-CG1 3.99Å; V303-I322 HydrophobicContact CG2-CG2 4.48Å; V303-Q363 CarbonylContact O-C 3.6Å; V303-Q363 VanDerWaalsContact O-CA 3.28Å; V303-Q363 WeakPolarHBondContact O-CA 3.45Å; V303-I364 HydrophobicContact CB-CG1 4.09Å; V303-I364 PolarHBondContact N-O 3.02Å; V303-I364 PolarHBondContact O-N 2.86Å; V303-I384 HydrophobicContact CG2-CD1 3.85Å
304V95.6Very high94Very high17 Ų1761 Ų6110%0.10332%0.323CS..EExtended strand (participates in β ladder)trans-107.5127.5174.9179.20000108.4V287 I288 K306 E361 Q363V287-V304 CarbonylContact C-O 3.6Å; I288-V304 HydrophobicContact CB-CB 4.31Å; I288-V304 PolarHBondContact N-O 2.78Å; I288-V304 PolarHBondContact O-N 2.82Å; V304-K306 HydrophobicContact CG1-CG 4.18Å; V304-E361 HydrophobicContact CG1-CG 3.68Å; V304-E361 WeakPolarHBondContact CG1-OE1 3Å; V304-Q363 HydrophobicContact CG2-CB 4.01Å
305I95.8Very high94.3Very high0 Ų058.5 Ų58.50%031%0.308CS..EExtended strand (participates in β ladder)trans-110.7131.5170.664.1175.4000109.7R286 V287 V303 V320 W351 I353 M356 E361 S362 M386R286-I305 WeakPolarHBondContact O-CA 3.25Å; V287-I305 HydrophobicContact CG1-CG2 4.29Å; V287-I305 HydrophobicContact CG2-CG2 4.12Å; V303-I305 HydrophobicContact CG1-CG2 4.37Å; I305-V320 HydrophobicContact CD1-CG2 4.3Å; I305-V320 HydrophobicContact CG2-CG2 4.11Å; I305-W351 HydrophobicContact CB-CZ3 4.44Å; I305-W351 HydrophobicContact CD1-CE3 4.39Å; I305-W351 HydrophobicContact CD1-CH2 3.63Å; I305-W351 HydrophobicContact CD1-CZ2 4.38Å; I305-W351 HydrophobicContact CD1-CZ3 3.63Å; I305-W351 HydrophobicContact CG1-CH2 3.66Å; I305-W351 HydrophobicContact CG1-CZ3 3.72Å; I305-W351 HydrophobicContact CG2-CZ3 3.95Å; I305-I353 HydrophobicContact CD1-CD1 3.55Å; I305-M356 HydrophobicContact CD1-CE 3.76Å; I305-M356 HydrophobicContact CD1-SD 4.32Å; I305-M356 HydrophobicContact CG1-CE 4.09Å; I305-E361 WeakPolarHBondContact O-CA 3.48Å; I305-S362 WeakPolarHBondContact CG1-O 3.48Å; I305-S362 PolarHBondContact N-O 2.8Å; I305-S362 PolarHBondContact O-N 2.86Å; I305-M386 HydrophobicContact CD1-CE 4.25Å
306K96.1Very high94.9Very high80 Ų8060 Ų6035%0.34830%0.298SS..EExtended strand (participates in β ladder)trans-117.4126.9175.2-55.6-168.5-173.4-129.20108.8F285 R286 I288 V304 K360 E361F285-K306 CarbonylContact C-O 3.51Å; F285-K306 VanDerWaalsContact CA-O 3.24Å; F285-K306 WeakPolarHBondContact CA-O 3.32Å; R286-K306 PolarHBondContact N-O 3.36Å; R286-K306 PolarHBondContact O-N 3.19Å; I288-K306 HydrophobicContact CD1-CD 4.27Å; V304-K306 HydrophobicContact CG1-CG 4.18Å; K306-K360 CarbonylContact C-O 3.5Å; K306-K360 WeakPolarHBondContact CA-O 3.31Å; K306-E361 VanDerWaalsContact CE-OE2 3.28Å; K306-E361 WeakPolarHBondContact CE-OE2 3.23Å; K306-E361 HydrophobicContact CG-CB 4.47Å; K306-E361 HydrophobicContact CG-CG 4.05Å; K306-E361 VanDerWaalsContact NZ-CD 3.35Å; K306-E361 IonicContact NZ-OE1 2.71Å; K306-E361 PolarHBondContact NZ-OE1 2.76Å; K306-E361 IonicContact NZ-OE2 3.67Å; K306-E361 PolarHBondContact NZ-OE2 2.87Å
307S96.9Very high95.4Very high6 Ų656.1 Ų56.14%0.04229%0.287CS..EExtended strand (participates in β ladder)trans-84.7133171.855.80000110.4P284 F309 A357 M359 K360P284-S307 WeakPolarHBondContact O-CA 3.31Å; S307-F309 VanDerWaalsContact CB-CE1 3.49Å; S307-A357 PolarHBondContact OG-O 3.47Å; S307-M359 VanDerWaalsContact O-CA 3.24Å; S307-M359 WeakPolarHBondContact O-CA 3.37Å; S307-M359 PolarHBondContact O-N 2.8Å; S307-M359 VanDerWaalsContact O-N 3.1Å; S307-M359 PolarHBondContact OG-N 2.65Å; S307-K360 PolarHBondContact N-O 3.19Å; S307-K360 PolarHBondContact OG-N 3.32Å; S307-K360 PolarHBondContact OG-O 3.34Å; S307-K360 VanDerWaalsContact OG-O 3.12Å
308N94.8Very high95.8Very high88 Ų8852.5 Ų52.547%0.47127%0.265SS..  trans-125.766.3-175.6-173.648000111P284P284-N308 PolarHBondContact O-N 2.54Å
309F95.6Very high96.1Very high15 Ų1552.3 Ų52.37%0.06627%0.265CS..SBendtrans-153.1174.3175.754.7-94.9000109.4P284 F285 S307 L313 A315 G358 M359 V390 F392P284-F309 HydrophobicContact CB-CD1 4.1Å; P284-F309 VanDerWaalsContact O-CD1 3.24Å; P284-F309 WeakPolarHBondContact O-CD1 3.28Å; F285-F309 HydrophobicContact CE1-CE1 4.22Å; F285-F309 HydrophobicContact CE2-CE1 4.29Å; F285-F309 AromaticContact CZ-CE1 3.94Å; F285-F309 HydrophobicContact CZ-CE1 3.94Å; F285-F309 HydrophobicContact CZ-CZ 4.45Å; S307-F309 VanDerWaalsContact CB-CE1 3.49Å; F309-L313 HydrophobicContact CD2-CB 3.92Å; F309-L313 HydrophobicContact CE2-CB 4.1Å; F309-L313 WeakPolarHBondContact CE2-O 3.47Å; F309-A315 HydrophobicContact CE1-CB 4.15Å; F309-A315 HydrophobicContact CZ-CB 3.63Å; F309-G358 VanDerWaalsContact CD2-CA 3.46Å; F309-G358 CarbonylContact O-C 3.49Å; F309-G358 VanDerWaalsContact O-CA 3.23Å; F309-G358 WeakPolarHBondContact O-CA 3.42Å; F309-M359 WeakPolarHBondContact O-CG 3.48Å; F309-M359 PolarHBondContact O-N 3.41Å; F309-V390 HydrophobicContact CE1-CG1 4.37Å; F309-F392 HydrophobicContact CB-CE1 3.77Å; F309-F392 HydrophobicContact CB-CZ 3.91Å; F309-F392 HydrophobicContact CD1-CE1 4.32Å; F309-F392 HydrophobicContact CD2-CE1 4.5Å; F309-F392 AromaticContact CG-CE1 3.97Å; F309-F392 HydrophobicContact CG-CE1 3.97Å; F309-F392 HydrophobicContact CG-CZ 4.46Å
310K95.8Very high96.4Very high148 Ų14852.2 Ų52.264%0.64326%0.264SS*.  trans-51.9131.1-175.4-69.1-175.4178.4-177.30112.1S312 L313K310-S312 PolarHBondContact O-N 3.42Å; K310-S312 VanDerWaalsContact O-N 3.14Å; K310-L313 HydrophobicContact CB-CD1 4.13Å; K310-L313 HydrophobicContact CB-CG 4.1Å; K310-L313 PolarHBondContact O-N 3.21Å
311P96.3Very high96.5Very high87 Ų8753.4 Ų53.457%0.56527%0.267SS*.THydrogen-bonded Turntrans-58.1-27.7-178.9-26.934000115.2L313 M359P311-L313 VanDerWaalsContact C-N 3.28Å; P311-L313 PolarHBondContact O-N 2.89Å; P311-M359 HydrophobicContact CG-CB 4.12Å; P311-M359 HydrophobicContact CG-CG 3.83Å
312S96.3Very high96.6Very high103 Ų10353.2 Ų53.272%0.7227%0.265SS*.THydrogen-bonded Turntrans-71.6-19.5177.955.90000113.8K310K310-S312 PolarHBondContact O-N 3.42Å; K310-S312 VanDerWaalsContact O-N 3.14Å
313L96.4Very high96.6Very high47 Ų4750 Ų5025%0.24625%0.253CS..  trans-86.9148.9178.2-57.2178.7000110.2F309 K310 P311 A357 G358 P391 F392F309-L313 HydrophobicContact CD2-CB 3.92Å; F309-L313 HydrophobicContact CE2-CB 4.1Å; F309-L313 WeakPolarHBondContact CE2-O 3.47Å; K310-L313 HydrophobicContact CB-CD1 4.13Å; K310-L313 HydrophobicContact CB-CG 4.1Å; K310-L313 PolarHBondContact O-N 3.21Å; P311-L313 VanDerWaalsContact C-N 3.28Å; P311-L313 PolarHBondContact O-N 2.89Å; L313-A357 WeakPolarHBondContact O-CA 3.32Å; L313-G358 PolarHBondContact O-N 3.07Å; L313-P391 HydrophobicContact CB-CG 4.24Å; L313-P391 HydrophobicContact CD2-CG 4.23Å; L313-F392 HydrophobicContact CD1-CB 4.27Å; L313-F392 HydrophobicContact CD1-CD1 3.96Å; L313-F392 HydrophobicContact CD1-CG 4.4Å
314L97.4Very high96.6Very high77 Ų7750.3 Ų50.340%0.40326%0.255SS..EExtended strand (participates in β ladder)trans-119.1116.5177.8-62178.8000109.4A357 P391L314-A357 HydrophobicContact CD2-CB 3.7Å; L314-P391 WeakPolarHBondContact O-CD 3.41Å
315A97.6Very high96.4Very high0 Ų049.6 Ų49.60%025%0.251CS..EExtended strand (participates in β ladder)trans-72.1146.7165.600000110.2F285 F309 I318 R355 M356 E389 V390F285-A315 HydrophobicContact CE2-CB 4.08Å; F285-A315 HydrophobicContact CZ-CB 3.54Å; F309-A315 HydrophobicContact CE1-CB 4.15Å; F309-A315 HydrophobicContact CZ-CB 3.63Å; A315-I318 HydrophobicContact CB-CD1 3.92Å; A315-I318 HydrophobicContact CB-CG1 4.3Å; A315-R355 CarbonylContact O-C 3.57Å; A315-R355 WeakPolarHBondContact O-CA 3.3Å; A315-M356 PolarHBondContact N-O 3.33Å; A315-M356 PolarHBondContact O-N 2.81Å; A315-E389 CarbonylContact C-O 3.44Å; A315-E389 VanDerWaalsContact CA-O 3.29Å; A315-E389 WeakPolarHBondContact CA-O 3.48Å; A315-V390 HydrophobicContact CB-CG1 3.78Å
316Q97.4Very high96.1Very high99 Ų9956.4 Ų56.446%0.46329%0.286SS..EExtended strand (participates in β ladder)trans-130.8169.6-178.3-57.7-172.512.300111I318 E389Q316-I318 PolarHBondContact O-N 3.33Å; Q316-I318 VanDerWaalsContact O-N 3.17Å; Q316-E389 PolarHBondContact N-O 2.85Å; Q316-E389 PolarHBondContact O-N 2.7Å
317K96.3Very high95.9Very high138 Ų13854.3 Ų54.360%0.628%0.279SS*.EExtended strand (participates in β ladder)trans50.842.1176.6-58.7177.4-171.7157.80112.5E319 E389K317-E319 PolarHBondContact O-N 3.17Å; K317-E389 IonicContact NZ-OE2 3.55Å; K317-E389 PolarHBondContact NZ-OE2 3.26Å
318I98.1Very high95.7Very high2 Ų255 Ų551%0.0128%0.282CS..EExtended strand (participates in β ladder)trans-80.9123-176.3-54.8167.6000108.5F285 A315 Q316 K352 I353 M356 M386 N387 F388F285-I318 HydrophobicContact CE1-CD1 4.35Å; F285-I318 HydrophobicContact CZ-CD1 3.91Å; F285-I318 HydrophobicContact CZ-CG1 4.29Å; A315-I318 HydrophobicContact CB-CD1 3.92Å; A315-I318 HydrophobicContact CB-CG1 4.3Å; Q316-I318 PolarHBondContact O-N 3.33Å; Q316-I318 VanDerWaalsContact O-N 3.17Å; I318-K352 CarbonylContact O-C 3.44Å; I318-K352 WeakPolarHBondContact O-CA 3.34Å; I318-I353 HydrophobicContact CB-CB 4.13Å; I318-I353 WeakPolarHBondContact CB-O 3.33Å; I318-I353 HydrophobicContact CG2-CB 4.43Å; I318-I353 PolarHBondContact N-O 2.9Å; I318-I353 PolarHBondContact O-N 3.1Å; I318-M356 HydrophobicContact CD1-CB 3.36Å; I318-M386 HydrophobicContact CG2-CE 3.43Å; I318-M386 VanDerWaalsContact CG2-CE 3.43Å; I318-N387 CarbonylContact C-O 3.58Å; I318-N387 VanDerWaalsContact CA-O 3.28Å; I318-N387 WeakPolarHBondContact CA-O 3.47Å; I318-F388 HydrophobicContact CG1-CB 4.29Å
319E98Very high95.6Very high50 Ų5053.9 Ų53.923%0.23428%0.282CS..EExtended strand (participates in β ladder)trans-138.6112.4178.9177.4164.6178.400109.6K317 V350 W351 K352 M386 N387K317-E319 PolarHBondContact O-N 3.17Å; E319-V350 HydrophobicContact CG-CG1 3.84Å; E319-V350 WeakPolarHBondContact OE1-CG1 3.43Å; E319-W351 CarbonylContact C-O 3.57Å; E319-W351 WeakPolarHBondContact CA-O 3.11Å; E319-K352 HydrophobicContact CB-CG 4.44Å; E319-K352 HydrophobicContact CG-CG 4.17Å; E319-K352 WeakPolarHBondContact OE1-CE 3.25Å; E319-K352 IonicContact OE1-NZ 3.4Å; E319-K352 PolarHBondContact OE1-NZ 2.66Å; E319-K352 WeakPolarHBondContact OE2-CE 3.29Å; E319-K352 IonicContact OE2-NZ 2.66Å; E319-K352 PolarHBondContact OE2-NZ 3.29Å; E319-M386 CarbonylContact O-C 3.54Å; E319-M386 WeakPolarHBondContact O-CA 3.46Å; E319-N387 HydrophobicContact CB-CB 4.31Å; E319-N387 PolarHBondContact N-O 2.84Å; E319-N387 PolarHBondContact O-N 2.84Å
320V97.9Very high95.5Very high0 Ų054 Ų540%029%0.287CS..EExtended strand (participates in β ladder)trans-99.3125.9175.2-171.20000108I305 I322 W351 I384 S385 M386I305-V320 HydrophobicContact CD1-CG2 4.3Å; I305-V320 HydrophobicContact CG2-CG2 4.11Å; V320-I322 HydrophobicContact CG1-CD1 4.41Å; V320-I322 HydrophobicContact CG1-CG1 4.08Å; V320-W351 HydrophobicContact CB-CB 4.33Å; V320-W351 HydrophobicContact CB-CE3 4Å; V320-W351 HydrophobicContact CG2-CE3 3.82Å; V320-W351 HydrophobicContact CG2-CZ3 4.35Å; V320-W351 PolarHBondContact N-O 3.06Å; V320-W351 PolarHBondContact O-N 3.14Å; V320-I384 HydrophobicContact CG1-CG2 3.72Å; V320-S385 WeakPolarHBondContact CA-O 3.39Å; V320-M386 HydrophobicContact CG2-CE 4.38Å; V320-M386 HydrophobicContact CG2-CG 4.06Å; V320-M386 HydrophobicContact CG2-SD 4.43Å
321R97.8Very high95.5Very high75 Ų7548.7 Ų48.728%0.28327%0.267SS..EExtended strand (participates in β ladder)trans-106.5119.1176.4179.8-170.7-179.478.33.5108.9E346 A348 I384 S385R321-E346 IonicContact CZ-OE2 2.65Å; R321-E346 IonicContact NH1-OE2 2.67Å; R321-E346 PolarHBondContact NH1-OE2 3.19Å; R321-E346 PolarHBondContact NH2-O 2.92Å; R321-A348 HydrophobicContact CG-CB 3.92Å; R321-I384 WeakPolarHBondContact O-CA 3.46Å; R321-I384 WeakPolarHBondContact O-CG2 3.46Å; R321-S385 PolarHBondContact N-O 2.82Å; R321-S385 PolarHBondContact O-N 2.88Å; R321-S385 VanDerWaalsContact O-N 3.1Å
322I97.1Very high95.5Very high4 Ų450 Ų502%0.02127%0.266CS..EExtended strand (participates in β ladder)trans-113.7107.3-178.8-60.5161.4000108.1V301 V303 V320 A348 I349 I364 I384V301-I322 HydrophobicContact CG1-CG2 3.89Å; V303-I322 HydrophobicContact CB-CD1 3.94Å; V303-I322 HydrophobicContact CG1-CD1 4.38Å; V303-I322 HydrophobicContact CG2-CD1 3.55Å; V303-I322 HydrophobicContact CG2-CG1 3.99Å; V303-I322 HydrophobicContact CG2-CG2 4.48Å; V320-I322 HydrophobicContact CG1-CD1 4.41Å; V320-I322 HydrophobicContact CG1-CG1 4.08Å; I322-A348 CarbonylContact O-C 3.57Å; I322-A348 VanDerWaalsContact O-CA 3.23Å; I322-A348 WeakPolarHBondContact O-CA 3.43Å; I322-I349 HydrophobicContact CB-CB 4.27Å; I322-I349 PolarHBondContact N-O 2.91Å; I322-I349 PolarHBondContact O-N 3.49Å; I322-I364 HydrophobicContact CD1-CD1 3.16Å; I322-I364 HydrophobicContact CD1-CG1 4.01Å; I322-I384 HydrophobicContact CB-CG1 4.42Å; I322-I384 HydrophobicContact CG1-CD1 4.44Å; I322-I384 HydrophobicContact CG1-CG1 4.2Å; I322-I384 HydrophobicContact CG1-CG2 4.1Å; I322-I384 HydrophobicContact CG2-CD1 4.35Å; I322-I384 HydrophobicContact CG2-CG1 4.25Å
323P96.1Very high95.5Very high15 Ų1547.4 Ų47.410%0.09725%0.245CC..EExtended strand (participates in β ladder)trans-60144.7178.2-25.937.3000112W379 P382 P383P323-W379 HydrophobicContact CB-CZ2 4.23Å; P323-W379 WeakPolarHBondContact O-CH2 3.45Å; P323-P382 HydrophobicContact CB-CB 3.96Å; P323-P382 HydrophobicContact CB-CG 3.91Å; P323-P382 HydrophobicContact CG-CB 3.85Å; P323-P382 HydrophobicContact CG-CG 4.37Å; P323-P382 WeakPolarHBondContact CG-O 3.29Å; P323-P383 WeakPolarHBondContact CG-O 3.4Å
324T94.5Very high95.4Very high5 Ų550.5 Ų50.53%0.03126%0.261CS..  trans-118.6155.8172.167.30000109.6T328 Y342 N347 I349 I368 W379T324-T328 PolarHBondContact OG1-OG1 2.85Å; T324-Y342 HydrophobicContact CG2-CD2 4.31Å; T324-Y342 HydrophobicContact CG2-CE2 4.14Å; T324-Y342 WeakPolarHBondContact OG1-CE2 3.4Å; T324-N347 PolarHBondContact N-O 3.24Å; T324-N347 PolarHBondContact OG1-O 2.79Å; T324-I349 HydrophobicContact CG2-CD1 4.19Å; T324-I349 HydrophobicContact CG2-CG1 3.9Å; T324-I368 HydrophobicContact CG2-CD1 3.7Å; T324-I368 HydrophobicContact CG2-CG1 4.44Å; T324-W379 VanDerWaalsContact C-CZ2 3.5Å
325P92.6Very high95.3Very high3 Ų348.7 Ų48.72%0.01925%0.254CS..  trans-59.2154.1173.7-25.936.9000113.1L299 N327 T328 L370 W379L299-P325 HydrophobicContact CD2-CG 3.92Å; P325-N327 VanDerWaalsContact C-N 3.26Å; P325-N327 WeakPolarHBondContact CB-OD1 3.28Å; P325-N327 PolarHBondContact O-N 3.23Å; P325-T328 WeakPolarHBondContact O-CB 3.33Å; P325-T328 PolarHBondContact O-N 2.76Å; P325-T328 PolarHBondContact O-OG1 2.98Å; P325-L370 HydrophobicContact CB-CD2 3.77Å; P325-L370 HydrophobicContact CG-CD1 4.5Å; P325-L370 HydrophobicContact CG-CD2 3.67Å; P325-W379 HydrophobicContact CB-CD2 4.26Å; P325-W379 HydrophobicContact CB-CG 4.38Å; P325-W379 HydrophobicContact CG-CD2 3.71Å; P325-W379 HydrophobicContact CG-CE3 3.75Å; P325-W379 HydrophobicContact CG-CG 4.25Å; P325-W379 HydrophobicContact CG-CH2 4.21Å; P325-W379 HydrophobicContact CG-CZ2 4.13Å; P325-W379 HydrophobicContact CG-CZ3 4.02Å
326L89.6Confident94.6Very high143 Ų14356.2 Ų56.275%0.74929%0.292SS*.THydrogen-bonded Turntrans-67-27.8179.3-65.8177000113T328 N347L326-T328 PolarHBondContact O-N 3.36Å; L326-N347 HydrophobicContact CD2-CB 4.3Å; L326-N347 WeakPolarHBondContact CD2-ND2 3.44Å
327N90.8Very high94.3Very high36 Ų3655.1 Ų55.119%0.19329%0.285CS..THydrogen-bonded Turntrans-87.624.3177.864.5-33.5000112.9P325 S329 L370 L371 T373P325-N327 VanDerWaalsContact C-N 3.26Å; P325-N327 WeakPolarHBondContact CB-OD1 3.28Å; P325-N327 PolarHBondContact O-N 3.23Å; N327-S329 PolarHBondContact O-N 2.9Å; N327-L370 WeakPolarHBondContact O-CA 3.21Å; N327-L371 HydrophobicContact CB-CB 4.43Å; N327-L371 PolarHBondContact ND2-O 2.66Å; N327-L371 PolarHBondContact O-N 2.83Å; N327-T373 HydrophobicContact CB-CG2 3.94Å
328T93.5Very high94.2Very high19 Ų1950.8 Ų50.812%0.11728%0.28CS..EExtended strand (participates in β ladder)trans-67.7120.7177.3-63.30000110.3T324 P325 L326 V331 Y342 I368 E369T324-T328 PolarHBondContact OG1-OG1 2.85Å; P325-T328 WeakPolarHBondContact O-CB 3.33Å; P325-T328 PolarHBondContact O-N 2.76Å; P325-T328 PolarHBondContact O-OG1 2.98Å; L326-T328 PolarHBondContact O-N 3.36Å; T328-V331 HydrophobicContact CG2-CG2 3.53Å; T328-Y342 HydrophobicContact CG2-CE1 4.34Å; T328-Y342 HydrophobicContact CG2-CE2 4.29Å; T328-I368 HydrophobicContact CG2-CG2 3.68Å; T328-E369 CarbonylContact C-O 3.59Å; T328-E369 WeakPolarHBondContact CA-O 3.45Å
329S92.5Very high94.1Very high65 Ų6558.2 Ų58.246%0.45531%0.312SS..EExtended strand (participates in β ladder)trans-93.5-35.3173.551.10000112.9N327 E369N327-S329 PolarHBondContact O-N 2.9Å; S329-E369 PolarHBondContact N-O 2.76Å; S329-E369 VanDerWaalsContact OG-CB 3.28Å; S329-E369 WeakPolarHBondContact OG-CB 3.31Å; S329-E369 PolarHBondContact OG-O 2.97Å
330G93.4Very high94.1Very high18 Ų1857 Ų5719%0.18631%0.311CS..EExtended strand (participates in β ladder)trans-152.5149.7-173.200000111.7I368 E369G330-I368 WeakPolarHBondContact O-CA 3.41Å; G330-E369 PolarHBondContact O-N 3.32Å
331V96.8Very high94Very high36 Ų3663.6 Ų63.622%0.21834%0.339CS..EExtended strand (participates in β ladder)trans-137.9120.7176.4-173.90000109.9T328 V333 Y342 I349 E367 I368T328-V331 HydrophobicContact CG2-CG2 3.53Å; V331-V333 HydrophobicContact CG1-CG2 3.67Å; V331-Y342 HydrophobicContact CB-CD1 4.34Å; V331-Y342 HydrophobicContact CB-CD2 4.47Å; V331-Y342 HydrophobicContact CB-CG 4.02Å; V331-Y342 HydrophobicContact CG2-CD1 3.84Å; V331-Y342 HydrophobicContact CG2-CD2 3.69Å; V331-Y342 HydrophobicContact CG2-CE1 4.15Å; V331-Y342 HydrophobicContact CG2-CE2 4.02Å; V331-Y342 HydrophobicContact CG2-CG 3.59Å; V331-I349 HydrophobicContact CG1-CD1 3.67Å; V331-I349 HydrophobicContact CG1-CG1 3.96Å; V331-E367 CarbonylContact C-O 3.54Å; V331-E367 WeakPolarHBondContact CA-O 3.43Å; V331-I368 HydrophobicContact CG1-CG1 4.2Å; V331-I368 HydrophobicContact CG2-CG1 4.31Å; V331-I368 HydrophobicContact CG2-CG2 4.4Å
332Q96.3Very high94Very high114 Ų11462.8 Ų62.853%0.53334%0.337SS..EExtended strand (participates in β ladder)trans-103.9126.1169.6-58.5-173.4-1.300108.8A366 E367Q332-A366 CarbonylContact O-C 3.54Å; Q332-A366 WeakPolarHBondContact O-CA 3.42Å; Q332-E367 HydrophobicContact CB-CB 4.38Å; Q332-E367 PolarHBondContact N-O 2.93Å; Q332-E367 PolarHBondContact O-N 2.76Å
333V95.8Very high93.9Very high49 Ų4965.6 Ų65.630%0.29735%0.349SS..EExtended strand (participates in β ladder)trans-121.4129.6-177-1770000111.1V331 C335 A340 I349 A366V331-V333 HydrophobicContact CG1-CG2 3.67Å; V333-C335 HydrophobicContact CG1-CB 4.26Å; V333-A340 HydrophobicContact CG1-CB 3.6Å; V333-I349 HydrophobicContact CG2-CD1 4.21Å; V333-I349 HydrophobicContact CG2-CG2 4.26Å; V333-A366 HydrophobicContact CG2-CB 4.13Å
334I95Very high93.7Very high113 Ų11367.8 Ų67.858%0.57937%0.368SS*.EExtended strand (participates in β ladder)trans-105.4111.4170.7-55.8175.1000107.9I364 S365I334-I364 WeakPolarHBondContact O-CA 3.18Å; I334-S365 PolarHBondContact N-O 3.1Å; I334-S365 PolarHBondContact O-N 2.8Å
335C93.3Very high93.7Very high38 Ų3873 Ų7326%0.25740%0.404SS..EExtended strand (participates in β ladder)trans-130.1111.6-176.2173.60000110.6V333 K337 A340 W351 I364V333-C335 HydrophobicContact CG1-CB 4.26Å; C335-K337 PolarHBondContact SG-O 2.88Å; C335-A340 HydrophobicContact CB-CB 3.94Å; C335-W351 PolarHBondContact SG-NE1 2.61Å; C335-W351 VanDerWaalsContact SG-NE1 3.41Å; C335-I364 HydrophobicContact CB-CG2 4.02Å
336M83.8Confident93.7Very high159 Ų15976 Ų7678%0.78342%0.419SS*.SBendtrans-82.5-24.6-178.6-63.1-61-7200113.4
337K91.4Very high93.9Very high75 Ų7571.6 Ų71.633%0.32640%0.396SS..SBendtrans-141.5129.9-176.3-177.2-180-178.2176.20110.9C335 W351 I353 M356 S362C335-K337 PolarHBondContact SG-O 2.88Å; K337-W351 PolarHBondContact O-NE1 2.81Å; K337-I353 HydrophobicContact CG-CG2 4.39Å; K337-M356 HydrophobicContact CD-CE 4.41Å; K337-S362 WeakPolarHBondContact CB-OG 3.14Å
338G94.1Very high94.2Very high48 Ų4869.9 Ų69.950%0.49539%0.386SS..SBendtrans82.4-162.1-174.900000111.8K352G338-K352 CarbonylContact C-O 3.57Å; G338-K352 VanDerWaalsContact CA-O 3.25Å; G338-K352 WeakPolarHBondContact CA-O 3.37Å
339K96.7Very high94.4Very high158 Ų15869 Ų6969%0.68738%0.381SS*.EExtended strand (participates in β ladder)trans-127.2122.7-178.2-175.4175.2-176.7172.90109.2K352K339-K352 PolarHBondContact N-O 3.2Å; K339-K352 PolarHBondContact O-N 2.68Å
340A97.2Very high94.6Very high24 Ų2466.1 Ų66.120%0.19836%0.361CS..EExtended strand (participates in β ladder)trans-109.1137.6173.600000110V333 C335 I349 V350 W351V333-A340 HydrophobicContact CG1-CB 3.6Å; C335-A340 HydrophobicContact CB-CB 3.94Å; A340-I349 HydrophobicContact CB-CG2 4.39Å; A340-V350 WeakPolarHBondContact CA-O 3.32Å; A340-W351 HydrophobicContact CB-CB 4.22Å; A340-W351 HydrophobicContact CB-CG 4.36Å
341K96.2Very high94.8Very high139 Ų13965.2 Ų65.260%0.60435%0.352SS*.EExtended strand (participates in β ladder)trans-142.6134.8176.9-178.3174.8178.7-179.70109.8V350K341-V350 PolarHBondContact N-O 2.85Å; K341-V350 PolarHBondContact O-N 2.82Å
342Y97Very high94.9Very high57 Ų5768.2 Ų68.222%0.22436%0.362CS..EExtended strand (participates in β ladder)trans-73.5131.9167.4175.3-121.9000110.7T324 T328 V331 A344 I349T324-Y342 HydrophobicContact CG2-CD2 4.31Å; T324-Y342 HydrophobicContact CG2-CE2 4.14Å; T324-Y342 WeakPolarHBondContact OG1-CE2 3.4Å; T328-Y342 HydrophobicContact CG2-CE1 4.34Å; T328-Y342 HydrophobicContact CG2-CE2 4.29Å; V331-Y342 HydrophobicContact CB-CD1 4.34Å; V331-Y342 HydrophobicContact CB-CD2 4.47Å; V331-Y342 HydrophobicContact CB-CG 4.02Å; V331-Y342 HydrophobicContact CG2-CD1 3.84Å; V331-Y342 HydrophobicContact CG2-CD2 3.69Å; V331-Y342 HydrophobicContact CG2-CE1 4.15Å; V331-Y342 HydrophobicContact CG2-CE2 4.02Å; V331-Y342 HydrophobicContact CG2-CG 3.59Å; Y342-A344 HydrophobicContact CE1-CB 3.88Å; Y342-I349 HydrophobicContact CD2-CG1 4.35Å
343K95.8Very high95Very high63 Ų6363 Ų6327%0.27434%0.338SS..EExtended strand (participates in β ladder)trans-117.6102.1175-68.8-170.2-179.8178.30109.6S345 E346 N347 A348 V350K343-S345 PolarHBondContact O-N 3.4Å; K343-E346 HydrophobicContact CB-CB 4.03Å; K343-E346 VanDerWaalsContact CD-CD 3.42Å; K343-E346 HydrophobicContact CD-CG 4.36Å; K343-E346 WeakPolarHBondContact CD-OE1 2.86Å; K343-E346 WeakPolarHBondContact CD-OE2 3.22Å; K343-E346 IonicContact NZ-OE1 2.63Å; K343-E346 PolarHBondContact NZ-OE1 2.82Å; K343-E346 IonicContact NZ-OE2 3.88Å; K343-E346 PolarHBondContact NZ-OE2 2.83Å; K343-E346 CarbonylContact O-C 3.59Å; K343-E346 PolarHBondContact O-N 2.84Å; K343-E346 VanDerWaalsContact O-N 3.14Å; K343-N347 PolarHBondContact O-N 3.02Å; K343-N347 VanDerWaalsContact O-N 3.07Å; K343-A348 PolarHBondContact N-O 3.05Å; K343-A348 PolarHBondContact O-N 3.37Å; K343-V350 HydrophobicContact CD-CB 4.48Å; K343-V350 HydrophobicContact CD-CG2 3.71Å; K343-V350 HydrophobicContact CG-CG2 4.12Å
344A92.4Very high95Very high61 Ų6169.1 Ų69.150%0.50436%0.36SS..G310 helixtrans-59.6-43.6-177.900000113.4Y342 E346 N347Y342-A344 HydrophobicContact CE1-CB 3.88Å; A344-E346 PolarHBondContact O-N 3.44Å; A344-N347 PolarHBondContact O-N 3.42Å
345S93.1Very high95.1Very high114 Ų11471.2 Ų71.280%0.79736%0.361SS*.G310 helixtrans-59.8-21.7178.158.50000114K343K343-S345 PolarHBondContact O-N 3.4Å
346E92.6Very high95.2Very high68 Ų6869.5 Ų69.532%0.31835%0.349SS..G310 helixtrans-107.6-5.4-177.6-74.5179-141.600112.2R321 K343 A344 A348R321-E346 IonicContact CZ-OE2 2.65Å; R321-E346 IonicContact NH1-OE2 2.67Å; R321-E346 PolarHBondContact NH1-OE2 3.19Å; R321-E346 PolarHBondContact NH2-O 2.92Å; K343-E346 HydrophobicContact CB-CB 4.03Å; K343-E346 VanDerWaalsContact CD-CD 3.42Å; K343-E346 HydrophobicContact CD-CG 4.36Å; K343-E346 WeakPolarHBondContact CD-OE1 2.86Å; K343-E346 WeakPolarHBondContact CD-OE2 3.22Å; K343-E346 IonicContact NZ-OE1 2.63Å; K343-E346 PolarHBondContact NZ-OE1 2.82Å; K343-E346 IonicContact NZ-OE2 3.88Å; K343-E346 PolarHBondContact NZ-OE2 2.83Å; K343-E346 CarbonylContact O-C 3.59Å; K343-E346 PolarHBondContact O-N 2.84Å; K343-E346 VanDerWaalsContact O-N 3.14Å; A344-E346 PolarHBondContact O-N 3.44Å; E346-A348 HydrophobicContact CB-CB 4.48Å; E346-A348 PolarHBondContact O-N 3.34Å
347N94Very high95.9Very high49 Ų4963 Ų6326%0.26232%0.321SS..THydrogen-bonded Turntrans44.550.3-171.1-61.7-73000112T324 L326 K343 A344T324-N347 PolarHBondContact N-O 3.24Å; T324-N347 PolarHBondContact OG1-O 2.79Å; L326-N347 HydrophobicContact CD2-CB 4.3Å; L326-N347 WeakPolarHBondContact CD2-ND2 3.44Å; K343-N347 PolarHBondContact O-N 3.02Å; K343-N347 VanDerWaalsContact O-N 3.07Å; A344-N347 PolarHBondContact O-N 3.42Å
348A96.5Very high96.1Very high0 Ų059.5 Ų59.50%031%0.305CS..EExtended strand (participates in β ladder)trans-152.4147.6-175.800000113R321 I322 K343 E346R321-A348 HydrophobicContact CG-CB 3.92Å; I322-A348 CarbonylContact O-C 3.57Å; I322-A348 VanDerWaalsContact O-CA 3.23Å; I322-A348 WeakPolarHBondContact O-CA 3.43Å; K343-A348 PolarHBondContact N-O 3.05Å; K343-A348 PolarHBondContact O-N 3.37Å; E346-A348 HydrophobicContact CB-CB 4.48Å; E346-A348 PolarHBondContact O-N 3.34Å
349I97.7Very high96.3Very high0 Ų062.9 Ų62.90%031%0.31CS..EExtended strand (participates in β ladder)trans-85.7125162.6-59.2165.5000107.5I322 T324 V331 V333 A340 Y342 A366 I368I322-I349 HydrophobicContact CB-CB 4.27Å; I322-I349 PolarHBondContact N-O 2.91Å; I322-I349 PolarHBondContact O-N 3.49Å; T324-I349 HydrophobicContact CG2-CD1 4.19Å; T324-I349 HydrophobicContact CG2-CG1 3.9Å; V331-I349 HydrophobicContact CG1-CD1 3.67Å; V331-I349 HydrophobicContact CG1-CG1 3.96Å; V333-I349 HydrophobicContact CG2-CD1 4.21Å; V333-I349 HydrophobicContact CG2-CG2 4.26Å; A340-I349 HydrophobicContact CB-CG2 4.39Å; Y342-I349 HydrophobicContact CD2-CG1 4.35Å; I349-A366 HydrophobicContact CD1-CB 3.47Å; I349-A366 VanDerWaalsContact CD1-CB 3.47Å; I349-I368 HydrophobicContact CD1-CD1 4.27Å; I349-I368 HydrophobicContact CD1-CG1 4.43Å
350V97.9Very high96.3Very high5 Ų560.9 Ų60.93%0.0330%0.301CS..EExtended strand (participates in β ladder)trans-107.4112.8177.1-179.40000108.9E319 A340 K341 K343 K352E319-V350 HydrophobicContact CG-CG1 3.84Å; E319-V350 WeakPolarHBondContact OE1-CG1 3.43Å; A340-V350 WeakPolarHBondContact CA-O 3.32Å; K341-V350 PolarHBondContact N-O 2.85Å; K341-V350 PolarHBondContact O-N 2.82Å; K343-V350 HydrophobicContact CD-CB 4.48Å; K343-V350 HydrophobicContact CD-CG2 3.71Å; K343-V350 HydrophobicContact CG-CG2 4.12Å; V350-K352 HydrophobicContact CG1-CD 4.47Å; V350-K352 HydrophobicContact CG1-CG 4.02Å
351W98.2Very high96.2Very high0 Ų064.6 Ų64.60%031%0.314CS..EExtended strand (participates in β ladder)trans-106.9112.1180177.435.9000111I305 E319 V320 C335 K337 A340 I353 S362 I364I305-W351 HydrophobicContact CB-CZ3 4.44Å; I305-W351 HydrophobicContact CD1-CE3 4.39Å; I305-W351 HydrophobicContact CD1-CH2 3.63Å; I305-W351 HydrophobicContact CD1-CZ2 4.38Å; I305-W351 HydrophobicContact CD1-CZ3 3.63Å; I305-W351 HydrophobicContact CG1-CH2 3.66Å; I305-W351 HydrophobicContact CG1-CZ3 3.72Å; I305-W351 HydrophobicContact CG2-CZ3 3.95Å; E319-W351 CarbonylContact C-O 3.57Å; E319-W351 WeakPolarHBondContact CA-O 3.11Å; V320-W351 HydrophobicContact CB-CB 4.33Å; V320-W351 HydrophobicContact CB-CE3 4Å; V320-W351 HydrophobicContact CG2-CE3 3.82Å; V320-W351 HydrophobicContact CG2-CZ3 4.35Å; V320-W351 PolarHBondContact N-O 3.06Å; V320-W351 PolarHBondContact O-N 3.14Å; C335-W351 PolarHBondContact SG-NE1 2.61Å; C335-W351 VanDerWaalsContact SG-NE1 3.41Å; K337-W351 PolarHBondContact O-NE1 2.81Å; A340-W351 HydrophobicContact CB-CB 4.22Å; A340-W351 HydrophobicContact CB-CG 4.36Å; W351-I353 HydrophobicContact CD2-CD1 4.35Å; W351-I353 HydrophobicContact CD2-CG1 4.44Å; W351-I353 HydrophobicContact CH2-CD1 3.92Å; W351-I353 HydrophobicContact CZ2-CD1 3.39Å; W351-I353 HydrophobicContact CZ2-CG1 4.04Å; W351-S362 VanDerWaalsContact CZ2-OG 3.31Å; W351-S362 WeakPolarHBondContact CZ2-OG 3.23Å; W351-I364 HydrophobicContact CB-CD1 3.84Å; W351-I364 HydrophobicContact CD2-CB 4.43Å; W351-I364 HydrophobicContact CD2-CD1 3.92Å; W351-I364 HydrophobicContact CD2-CG1 4.17Å; W351-I364 HydrophobicContact CD2-CG2 3.42Å; W351-I364 VanDerWaalsContact CD2-CG2 3.42Å; W351-I364 HydrophobicContact CE3-CB 4.44Å; W351-I364 HydrophobicContact CE3-CD1 3.77Å; W351-I364 HydrophobicContact CE3-CG1 3.79Å; W351-I364 HydrophobicContact CE3-CG2 3.79Å; W351-I364 HydrophobicContact CG-CD1 3.98Å; W351-I364 HydrophobicContact CG-CG2 3.88Å; W351-I364 HydrophobicContact CH2-CG2 3.84Å; W351-I364 HydrophobicContact CZ2-CG2 3.49Å; W351-I364 VanDerWaalsContact CZ2-CG2 3.49Å; W351-I364 HydrophobicContact CZ3-CG1 4.06Å; W351-I364 HydrophobicContact CZ3-CG2 3.98Å
352K98.2Very high96.2Very high98 Ų9858.4 Ų58.443%0.42629%0.289SS..EExtended strand (participates in β ladder)trans-108129-177.1-57.9-167.6-174.3-129.30111.4I318 E319 G338 K339 V350I318-K352 CarbonylContact O-C 3.44Å; I318-K352 WeakPolarHBondContact O-CA 3.34Å; E319-K352 HydrophobicContact CB-CG 4.44Å; E319-K352 HydrophobicContact CG-CG 4.17Å; E319-K352 WeakPolarHBondContact OE1-CE 3.25Å; E319-K352 IonicContact OE1-NZ 3.4Å; E319-K352 PolarHBondContact OE1-NZ 2.66Å; E319-K352 WeakPolarHBondContact OE2-CE 3.29Å; E319-K352 IonicContact OE2-NZ 2.66Å; E319-K352 PolarHBondContact OE2-NZ 3.29Å; G338-K352 CarbonylContact C-O 3.57Å; G338-K352 VanDerWaalsContact CA-O 3.25Å; G338-K352 WeakPolarHBondContact CA-O 3.37Å; K339-K352 PolarHBondContact N-O 3.2Å; K339-K352 PolarHBondContact O-N 2.68Å; V350-K352 HydrophobicContact CG1-CD 4.47Å; V350-K352 HydrophobicContact CG1-CG 4.02Å
353I97.8Very high96.2Very high5 Ų559.4 Ų59.43%0.02630%0.295CS..EExtended strand (participates in β ladder)trans-121.8120.2173.9-52174.8000108.1I305 I318 K337 W351 R355 M356I305-I353 HydrophobicContact CD1-CD1 3.55Å; I318-I353 HydrophobicContact CB-CB 4.13Å; I318-I353 WeakPolarHBondContact CB-O 3.33Å; I318-I353 HydrophobicContact CG2-CB 4.43Å; I318-I353 PolarHBondContact N-O 2.9Å; I318-I353 PolarHBondContact O-N 3.1Å; K337-I353 HydrophobicContact CG-CG2 4.39Å; W351-I353 HydrophobicContact CD2-CD1 4.35Å; W351-I353 HydrophobicContact CD2-CG1 4.44Å; W351-I353 HydrophobicContact CH2-CD1 3.92Å; W351-I353 HydrophobicContact CZ2-CD1 3.39Å; W351-I353 HydrophobicContact CZ2-CG1 4.04Å; I353-R355 VanDerWaalsContact C-N 3.32Å; I353-R355 WeakPolarHBondContact CG2-O 3.18Å; I353-R355 PolarHBondContact O-N 3.36Å; I353-M356 HydrophobicContact CD1-CE 3.68Å
354K95.9Very high96.3Very high177 Ų17756.6 Ų56.677%0.7728%0.283SS*.EExtended strand (participates in β ladder)trans-58.6-44.6-177.1-175175.4-178.9176.20112.1
355R96.3Very high96.5Very high158 Ų15855.5 Ų55.560%0.59627%0.272SS*.EExtended strand (participates in β ladder)trans-153.4147.8179.656.1-177.6161.3-166.5-3.5112.9A315 I353A315-R355 CarbonylContact O-C 3.57Å; A315-R355 WeakPolarHBondContact O-CA 3.3Å; I353-R355 VanDerWaalsContact C-N 3.32Å; I353-R355 WeakPolarHBondContact CG2-O 3.18Å; I353-R355 PolarHBondContact O-N 3.36Å
356M97Very high96.7Very high2 Ų250.4 Ų50.41%0.0124%0.237CC..EExtended strand (participates in β ladder)trans-141.8127.8174-176.9173.8-78.400110.3F285 I305 A315 I318 K337 I353 K360F285-M356 HydrophobicContact CE1-SD 3.9Å; I305-M356 HydrophobicContact CD1-CE 3.76Å; I305-M356 HydrophobicContact CD1-SD 4.32Å; I305-M356 HydrophobicContact CG1-CE 4.09Å; A315-M356 PolarHBondContact N-O 3.33Å; A315-M356 PolarHBondContact O-N 2.81Å; I318-M356 HydrophobicContact CD1-CB 3.36Å; K337-M356 HydrophobicContact CD-CE 4.41Å; I353-M356 HydrophobicContact CD1-CE 3.68Å; M356-K360 HydrophobicContact CG-CB 4.23Å
357A97.6Very high96.9Very high23 Ų2350.5 Ų50.519%0.1924%0.237CC..EExtended strand (participates in β ladder)trans-70.7159.7171.900000111.6S307 L313 L314 K360S307-A357 PolarHBondContact OG-O 3.47Å; L313-A357 WeakPolarHBondContact O-CA 3.32Å; L314-A357 HydrophobicContact CD2-CB 3.7Å; A357-K360 HydrophobicContact CB-CG 4.05Å
358G96.7Very high97Very high0 Ų048.2 Ų48.20%023%0.225CC..THydrogen-bonded Turntrans-64.8155.4173.100000112.6F309 L313 K360F309-G358 VanDerWaalsContact CD2-CA 3.46Å; F309-G358 CarbonylContact O-C 3.49Å; F309-G358 VanDerWaalsContact O-CA 3.23Å; F309-G358 WeakPolarHBondContact O-CA 3.42Å; L313-G358 PolarHBondContact O-N 3.07Å; G358-K360 VanDerWaalsContact C-N 3.26Å; G358-K360 PolarHBondContact O-N 2.76Å
359M97.1Very high96.9Very high119 Ų11952.4 Ų52.459%0.58625%0.245SC*.THydrogen-bonded Turntrans55.239.2-178.8-52.6-58.9-75.500113.4S307 F309 P311S307-M359 VanDerWaalsContact O-CA 3.24Å; S307-M359 WeakPolarHBondContact O-CA 3.37Å; S307-M359 PolarHBondContact O-N 2.8Å; S307-M359 VanDerWaalsContact O-N 3.1Å; S307-M359 PolarHBondContact OG-N 2.65Å; F309-M359 WeakPolarHBondContact O-CG 3.48Å; F309-M359 PolarHBondContact O-N 3.41Å; P311-M359 HydrophobicContact CG-CB 4.12Å; P311-M359 HydrophobicContact CG-CG 3.83Å
360K96.5Very high96.6Very high117 Ų11753.6 Ų53.651%0.50925%0.251SS..  trans-120156175.5-64.7-59.6179.2-1730110.5K306 S307 M356 A357 G358K306-K360 CarbonylContact C-O 3.5Å; K306-K360 WeakPolarHBondContact CA-O 3.31Å; S307-K360 PolarHBondContact N-O 3.19Å; S307-K360 PolarHBondContact OG-N 3.32Å; S307-K360 PolarHBondContact OG-O 3.34Å; S307-K360 VanDerWaalsContact OG-O 3.12Å; M356-K360 HydrophobicContact CG-CB 4.23Å; A357-K360 HydrophobicContact CB-CG 4.05Å; G358-K360 VanDerWaalsContact C-N 3.26Å; G358-K360 PolarHBondContact O-N 2.76Å
361E96Very high96.2Very high101 Ų10158.1 Ų58.147%0.47227%0.274SS..EExtended strand (participates in β ladder)trans-119.9147.1176.8-175164.1166.100109.9V304 I305 K306V304-E361 HydrophobicContact CG1-CG 3.68Å; V304-E361 WeakPolarHBondContact CG1-OE1 3Å; I305-E361 WeakPolarHBondContact O-CA 3.48Å; K306-E361 VanDerWaalsContact CE-OE2 3.28Å; K306-E361 WeakPolarHBondContact CE-OE2 3.23Å; K306-E361 HydrophobicContact CG-CB 4.47Å; K306-E361 HydrophobicContact CG-CG 4.05Å; K306-E361 VanDerWaalsContact NZ-CD 3.35Å; K306-E361 IonicContact NZ-OE1 2.71Å; K306-E361 PolarHBondContact NZ-OE1 2.76Å; K306-E361 IonicContact NZ-OE2 3.67Å; K306-E361 PolarHBondContact NZ-OE2 2.87Å
362S96.7Very high95.4Very high10 Ų1062.8 Ų62.87%0.0731%0.305CS..EExtended strand (participates in β ladder)trans-147.2149.3169.7-163.80000109.4I305 K337 W351I305-S362 WeakPolarHBondContact CG1-O 3.48Å; I305-S362 PolarHBondContact N-O 2.8Å; I305-S362 PolarHBondContact O-N 2.86Å; K337-S362 WeakPolarHBondContact CB-OG 3.14Å; W351-S362 VanDerWaalsContact CZ2-OG 3.31Å; W351-S362 WeakPolarHBondContact CZ2-OG 3.23Å
363Q96.1Very high94.3Very high78 Ų7861.8 Ų61.836%0.36431%0.306SS..EExtended strand (participates in β ladder)trans-135.4152.6-177.866.5178.31.100111V303 V304V303-Q363 CarbonylContact O-C 3.6Å; V303-Q363 VanDerWaalsContact O-CA 3.28Å; V303-Q363 WeakPolarHBondContact O-CA 3.45Å; V304-Q363 HydrophobicContact CG2-CB 4.01Å
364I97.3Very high92.9Very high3 Ų369.8 Ų69.82%0.01535%0.349CS..EExtended strand (participates in β ladder)trans-129.4147.8164.359.7167.4000109.6K302 V303 I322 I334 C335 W351K302-I364 WeakPolarHBondContact CA-O 3.33Å; V303-I364 HydrophobicContact CB-CG1 4.09Å; V303-I364 PolarHBondContact N-O 3.02Å; V303-I364 PolarHBondContact O-N 2.86Å; I322-I364 HydrophobicContact CD1-CD1 3.16Å; I322-I364 HydrophobicContact CD1-CG1 4.01Å; I334-I364 WeakPolarHBondContact O-CA 3.18Å; C335-I364 HydrophobicContact CB-CG2 4.02Å; W351-I364 HydrophobicContact CB-CD1 3.84Å; W351-I364 HydrophobicContact CD2-CB 4.43Å; W351-I364 HydrophobicContact CD2-CD1 3.92Å; W351-I364 HydrophobicContact CD2-CG1 4.17Å; W351-I364 HydrophobicContact CD2-CG2 3.42Å; W351-I364 VanDerWaalsContact CD2-CG2 3.42Å; W351-I364 HydrophobicContact CE3-CB 4.44Å; W351-I364 HydrophobicContact CE3-CD1 3.77Å; W351-I364 HydrophobicContact CE3-CG1 3.79Å; W351-I364 HydrophobicContact CE3-CG2 3.79Å; W351-I364 HydrophobicContact CG-CD1 3.98Å; W351-I364 HydrophobicContact CG-CG2 3.88Å; W351-I364 HydrophobicContact CH2-CG2 3.84Å; W351-I364 HydrophobicContact CZ2-CG2 3.49Å; W351-I364 VanDerWaalsContact CZ2-CG2 3.49Å; W351-I364 HydrophobicContact CZ3-CG1 4.06Å; W351-I364 HydrophobicContact CZ3-CG2 3.98Å
365S97.3Very high91.5Very high38 Ų3867.1 Ų67.127%0.26634%0.344SS..EExtended strand (participates in β ladder)trans-123.2140.8171.1-50.50000108.2V301 I334V301-S365 CarbonylContact O-C 3.54Å; V301-S365 WeakPolarHBondContact O-CA 3.41Å; I334-S365 PolarHBondContact N-O 3.1Å; I334-S365 PolarHBondContact O-N 2.8Å
366A97.1Very high90Very high7 Ų769.8 Ų69.86%0.05836%0.359CS..EExtended strand (participates in β ladder)trans-138.3138.8178.200000110.4V301 Q332 V333 I349V301-A366 PolarHBondContact N-O 2.95Å; V301-A366 PolarHBondContact O-N 2.76Å; Q332-A366 CarbonylContact O-C 3.54Å; Q332-A366 WeakPolarHBondContact O-CA 3.42Å; V333-A366 HydrophobicContact CG2-CB 4.13Å; I349-A366 HydrophobicContact CD1-CB 3.47Å; I349-A366 VanDerWaalsContact CD1-CB 3.47Å
367E97Very high88.7Confident71 Ų7178.8 Ų78.833%0.33240%0.399SS..EExtended strand (participates in β ladder)trans-106.3124167.8-54.9-163.7155.500107.9K298 V331 Q332K298-E367 VanDerWaalsContact CE-CD 3.42Å; K298-E367 WeakPolarHBondContact CE-OE2 3.21Å; K298-E367 IonicContact NZ-OE1 3.96Å; K298-E367 PolarHBondContact NZ-OE1 2.77Å; K298-E367 IonicContact NZ-OE2 3.06Å; K298-E367 PolarHBondContact NZ-OE2 2.89Å; V331-E367 CarbonylContact C-O 3.54Å; V331-E367 WeakPolarHBondContact CA-O 3.43Å; Q332-E367 HydrophobicContact CB-CB 4.38Å; Q332-E367 PolarHBondContact N-O 2.93Å; Q332-E367 PolarHBondContact O-N 2.76Å
368I96.2Very high87.6Confident0 Ų086.5 Ų86.50%043%0.428CS..EExtended strand (participates in β ladder)trans-115.5116.9-177-59.3165.9000107.1K298 L299 V301 T324 T328 G330 V331 I349 L370K298-I368 CarbonylContact C-O 3.56Å; K298-I368 WeakPolarHBondContact CA-O 3.5Å; L299-I368 HydrophobicContact CB-CB 4.19Å; L299-I368 HydrophobicContact CD2-CD1 4.13Å; L299-I368 PolarHBondContact N-O 2.8Å; L299-I368 PolarHBondContact O-N 3.05Å; V301-I368 HydrophobicContact CG2-CD1 3.8Å; T324-I368 HydrophobicContact CG2-CD1 3.7Å; T324-I368 HydrophobicContact CG2-CG1 4.44Å; T328-I368 HydrophobicContact CG2-CG2 3.68Å; G330-I368 WeakPolarHBondContact O-CA 3.41Å; V331-I368 HydrophobicContact CG1-CG1 4.2Å; V331-I368 HydrophobicContact CG2-CG1 4.31Å; V331-I368 HydrophobicContact CG2-CG2 4.4Å; I349-I368 HydrophobicContact CD1-CD1 4.27Å; I349-I368 HydrophobicContact CD1-CG1 4.43Å; I368-L370 HydrophobicContact CG2-CD2 3.85Å
369E94.6Very high86.9Confident89 Ų8989.6 Ų89.642%0.41644%0.44SS..EExtended strand (participates in β ladder)trans-83136.3173.3-65174.1-170.500109.4T328 S329 G330T328-E369 CarbonylContact C-O 3.59Å; T328-E369 WeakPolarHBondContact CA-O 3.45Å; S329-E369 PolarHBondContact N-O 2.76Å; S329-E369 VanDerWaalsContact OG-CB 3.28Å; S329-E369 WeakPolarHBondContact OG-CB 3.31Å; S329-E369 PolarHBondContact OG-O 2.97Å; G330-E369 PolarHBondContact O-N 3.32Å
370L91.8Very high85.8Confident24 Ų2488.1 Ų88.113%0.12645%0.446CS..EExtended strand (participates in β ladder)trans-119.3135.5-176.1-56179.8000109.8T297 L299 P325 N327 I368T297-L370 PolarHBondContact O-N 3.45Å; L299-L370 HydrophobicContact CB-CD1 4.15Å; P325-L370 HydrophobicContact CB-CD2 3.77Å; P325-L370 HydrophobicContact CG-CD1 4.5Å; P325-L370 HydrophobicContact CG-CD2 3.67Å; N327-L370 WeakPolarHBondContact O-CA 3.21Å; I368-L370 HydrophobicContact CG2-CD2 3.85Å
371L88.8Confident85.4Confident101 Ų10186.4 Ų86.453%0.52944%0.437SS..  trans-70.8133166.1-66.3172000109.3N327 T373N327-L371 HydrophobicContact CB-CB 4.43Å; N327-L371 PolarHBondContact ND2-O 2.66Å; N327-L371 PolarHBondContact O-N 2.83Å; L371-T373 PolarHBondContact O-N 2.89Å
372P81.1Confident85.2Confident98 Ų9884.2 Ų84.264%0.63643%0.431SS*.  trans-54.2127.7173.2-21.830.4000110.5T297T297-P372 HydrophobicContact CG2-CG 4.08Å
373T75.8Confident85.1Confident76 Ų7685.6 Ų85.647%0.46644%0.44SS..  trans-113.4143.2173.244.40000109.2N327 L371 D375N327-T373 HydrophobicContact CB-CG2 3.94Å; L371-T373 PolarHBondContact O-N 2.89Å; T373-D375 PolarHBondContact O-N 2.88Å
374N67.8Low85.1Confident173 Ų17382 Ų8293%0.92542%0.423SS*.  trans-75.9-3.7174.5-72.3-20.4000112.3K376N374-K376 PolarHBondContact O-N 3.36Å
375D67.1Low85.1Confident122 Ų12283 Ų8365%0.65243%0.43SS*.  trans-73.6122.8-178.3-74.3-39.1000111.7T373 K377T373-D375 PolarHBondContact O-N 2.88Å; D375-K377 PolarHBondContact O-N 3.22Å
376K65.6Low85.1Confident213 Ų21381.3 Ų81.393%0.92642%0.418SS*.  trans-74.5-5.1171.2-64.8-177.2-179.3178.80113.1N374 K378N374-K376 PolarHBondContact O-N 3.36Å; K376-K378 PolarHBondContact O-N 3.3Å
377K69.6Low85.2Confident191 Ų19184.5 Ų84.583%0.8343%0.434SS*.SBendtrans-79.2117.4-177.5-75.4-176.3180177.60109.7D375D375-K377 PolarHBondContact O-N 3.22Å
378K72.9Confident85.2Confident186 Ų18681.4 Ų81.481%0.80942%0.42SS*.PPolyproline II helixtrans-58.9138.9171.7-69.3-174.4175.9-177.30109.8K376 A380K376-K378 PolarHBondContact O-N 3.3Å; K378-A380 PolarHBondContact O-N 3.44Å
379W81.8Confident85.3Confident65 Ų6584.3 Ų84.325%0.24643%0.433CS..PPolyproline II helixtrans-56.9122.6176.1175.349.4000110L299 P323 T324 P325 R381 P382L299-W379 HydrophobicContact CD2-CE3 4.19Å; L299-W379 HydrophobicContact CD2-CH2 4.37Å; L299-W379 HydrophobicContact CD2-CZ3 3.64Å; P323-W379 HydrophobicContact CB-CZ2 4.23Å; P323-W379 WeakPolarHBondContact O-CH2 3.45Å; T324-W379 VanDerWaalsContact C-CZ2 3.5Å; P325-W379 HydrophobicContact CB-CD2 4.26Å; P325-W379 HydrophobicContact CB-CG 4.38Å; P325-W379 HydrophobicContact CG-CD2 3.71Å; P325-W379 HydrophobicContact CG-CE3 3.75Å; P325-W379 HydrophobicContact CG-CG 4.25Å; P325-W379 HydrophobicContact CG-CH2 4.21Å; P325-W379 HydrophobicContact CG-CZ2 4.13Å; P325-W379 HydrophobicContact CG-CZ3 4.02Å; W379-R381 HydrophobicContact CD2-CG 4.03Å; W379-R381 HydrophobicContact CE3-CB 4.36Å; W379-R381 HydrophobicContact CE3-CG 3.47Å; W379-R381 VanDerWaalsContact CE3-CG 3.47Å; W379-R381 HydrophobicContact CH2-CG 4.43Å; W379-R381 HydrophobicContact CZ3-CB 4.35Å; W379-R381 HydrophobicContact CZ3-CG 3.69Å; W379-R381 PolarHBondContact O-N 2.78Å; W379-P382 HydrophobicContact CZ2-CG 4.46Å
380A75.5Confident85.5Confident87 Ų8780.1 Ų80.172%0.71941%0.414SS*.  trans-75.479.2175.100000108.3K378 P382K378-A380 PolarHBondContact O-N 3.44Å; A380-P382 WeakPolarHBondContact O-CD 3.28Å; A380-P382 WeakPolarHBondContact O-CG 3.4Å
381R86.6Confident85.7Confident82 Ų8282.2 Ų82.231%0.30943%0.429SS..  trans-44.9101.7-177.5-65.4176.9-173.9-178.72.1111.2E293 W379 C433E293-R381 IonicContact OE1-CZ 2.9Å; E293-R381 IonicContact OE1-NE 3.33Å; E293-R381 IonicContact OE1-NH2 3.14Å; E293-R381 PolarHBondContact OE1-NH2 2.8Å; W379-R381 HydrophobicContact CD2-CG 4.03Å; W379-R381 HydrophobicContact CE3-CB 4.36Å; W379-R381 HydrophobicContact CE3-CG 3.47Å; W379-R381 VanDerWaalsContact CE3-CG 3.47Å; W379-R381 HydrophobicContact CH2-CG 4.43Å; W379-R381 HydrophobicContact CZ3-CB 4.35Å; W379-R381 HydrophobicContact CZ3-CG 3.69Å; W379-R381 PolarHBondContact O-N 2.78Å; R381-C433 WeakPolarHBondContact CB-O 3.41Å; R381-C433 VanDerWaalsContact CD-O 3.23Å; R381-C433 WeakPolarHBondContact CD-O 3.42Å; R381-C433 VanDerWaalsContact CD-OXT 3.31Å; R381-C433 WeakPolarHBondContact CD-OXT 3.24Å; R381-C433 PolarHBondContact NH1-OXT 3.41Å
382P91.6Very high86.1Confident54 Ų5478.8 Ų78.835%0.35141%0.41SS..PPolyproline II helixtrans-67.8148.2178.4-13.629.1000108.8P323 W379 A380 C433P323-P382 HydrophobicContact CB-CB 3.96Å; P323-P382 HydrophobicContact CB-CG 3.91Å; P323-P382 HydrophobicContact CG-CB 3.85Å; P323-P382 HydrophobicContact CG-CG 4.37Å; P323-P382 WeakPolarHBondContact CG-O 3.29Å; W379-P382 HydrophobicContact CZ2-CG 4.46Å; A380-P382 WeakPolarHBondContact O-CD 3.28Å; A380-P382 WeakPolarHBondContact O-CG 3.4Å; P382-C433 PolarHBondContact O-SG 3.48Å; P382-C433 VanDerWaalsContact O-SG 3.33Å
383P95.3Very high86.8Confident40 Ų4074.6 Ų74.626%0.2638%0.383SS..PPolyproline II helixtrans-63.7147.3-177.526.9-34.1000111.7P323 E430 T431P323-P383 WeakPolarHBondContact CG-O 3.4Å; P383-E430 HydrophobicContact CB-CB 4.01Å; P383-E430 HydrophobicContact CB-CG 4.44Å; P383-E430 HydrophobicContact CG-CB 4.32Å; P383-E430 HydrophobicContact CG-CG 4.35Å; P383-E430 WeakPolarHBondContact CG-OE2 3.28Å; P383-T431 CarbonylContact C-O 3.56Å; P383-T431 VanDerWaalsContact CA-O 3.32Å; P383-T431 WeakPolarHBondContact CA-O 3.31Å; P383-T431 WeakPolarHBondContact CB-O 3.43Å
384I96.9Very high87.7Confident2 Ų271 Ų711%0.0136%0.361CS..EExtended strand (participates in β ladder)trans-73.7126.6169.3-70159.7000107.8V287 P289 V303 V320 R321 I322 E430 T431 C433V287-I384 HydrophobicContact CG1-CG2 4Å; P289-I384 HydrophobicContact CB-CD1 3.36Å; P289-I384 HydrophobicContact CG-CD1 4.17Å; V303-I384 HydrophobicContact CG2-CD1 3.85Å; V320-I384 HydrophobicContact CG1-CG2 3.72Å; R321-I384 WeakPolarHBondContact O-CA 3.46Å; R321-I384 WeakPolarHBondContact O-CG2 3.46Å; I322-I384 HydrophobicContact CB-CG1 4.42Å; I322-I384 HydrophobicContact CG1-CD1 4.44Å; I322-I384 HydrophobicContact CG1-CG1 4.2Å; I322-I384 HydrophobicContact CG1-CG2 4.1Å; I322-I384 HydrophobicContact CG2-CD1 4.35Å; I322-I384 HydrophobicContact CG2-CG1 4.25Å; I384-E430 CarbonylContact O-C 3.52Å; I384-E430 WeakPolarHBondContact O-CA 3.24Å; I384-T431 PolarHBondContact N-O 3.06Å; I384-T431 PolarHBondContact O-N 2.85Å; I384-C433 HydrophobicContact CD1-CB 4.23Å
385S97.4Very high89Confident24 Ų2463 Ų6317%0.16832%0.319CS..EExtended strand (participates in β ladder)trans-107.8148.917865.50000111.6V320 R321 Y429V320-S385 WeakPolarHBondContact CA-O 3.39Å; R321-S385 PolarHBondContact N-O 2.82Å; R321-S385 PolarHBondContact O-N 2.88Å; R321-S385 VanDerWaalsContact O-N 3.1Å; S385-Y429 WeakPolarHBondContact CA-O 3.41Å
386M97.4Very high90.2Very high2 Ų257.8 Ų57.81%0.0129%0.294CS..EExtended strand (participates in β ladder)trans-131124.8-179.5-173.1178.1-176.200110.7F285 V287 I305 I318 E319 V320 F388 S426 Y429F285-M386 HydrophobicContact CB-CE 4Å; F285-M386 HydrophobicContact CB-SD 3.73Å; F285-M386 HydrophobicContact CD1-CE 3.47Å; F285-M386 VanDerWaalsContact CD1-CE 3.47Å; F285-M386 HydrophobicContact CD1-SD 4.34Å; F285-M386 HydrophobicContact CD2-CE 3.64Å; F285-M386 HydrophobicContact CD2-SD 4.15Å; F285-M386 HydrophobicContact CE1-CE 3.72Å; F285-M386 HydrophobicContact CE2-CE 3.91Å; F285-M386 HydrophobicContact CG-CE 3.41Å; F285-M386 VanDerWaalsContact CG-CE 3.41Å; F285-M386 HydrophobicContact CG-SD 3.82Å; F285-M386 HydrophobicContact CZ-CE 3.93Å; V287-M386 HydrophobicContact CG2-CB 4.37Å; V287-M386 HydrophobicContact CG2-SD 3.75Å; I305-M386 HydrophobicContact CD1-CE 4.25Å; I318-M386 HydrophobicContact CG2-CE 3.43Å; I318-M386 VanDerWaalsContact CG2-CE 3.43Å; E319-M386 CarbonylContact O-C 3.54Å; E319-M386 WeakPolarHBondContact O-CA 3.46Å; V320-M386 HydrophobicContact CG2-CE 4.38Å; V320-M386 HydrophobicContact CG2-CG 4.06Å; V320-M386 HydrophobicContact CG2-SD 4.43Å; M386-F388 HydrophobicContact CE-CD1 4.43Å; M386-F388 HydrophobicContact CG-CD1 4.07Å; M386-F388 HydrophobicContact SD-CD1 4.32Å; M386-S426 VanDerWaalsContact O-CB 3.28Å; M386-S426 WeakPolarHBondContact O-CB 3.38Å; M386-Y429 HydrophobicContact CB-CD1 3.94Å; M386-Y429 PolarHBondContact N-O 2.8Å; M386-Y429 WeakPolarHBondContact O-CB 3.25Å
387N98.2Very high91.6Very high75 Ų7547.8 Ų47.840%0.40125%0.25SS..EExtended strand (participates in β ladder)trans-101.8139.9169.9-67.4-60.8000110.8I318 E319 S426I318-N387 CarbonylContact C-O 3.58Å; I318-N387 VanDerWaalsContact CA-O 3.28Å; I318-N387 WeakPolarHBondContact CA-O 3.47Å; E319-N387 HydrophobicContact CB-CB 4.31Å; E319-N387 PolarHBondContact N-O 2.84Å; E319-N387 PolarHBondContact O-N 2.84Å; N387-S426 WeakPolarHBondContact CA-OG 3.15Å; N387-S426 PolarHBondContact OD1-OG 3.18Å
388F98Very high92.6Very high6 Ų643.4 Ų43.43%0.02623%0.231CC..EExtended strand (participates in β ladder)trans-161.4165.7177.659.6-98.7000112.3P284 F285 I318 M386 V390 R425 S426 Y429P284-F388 HydrophobicContact CB-CE2 4.07Å; P284-F388 HydrophobicContact CB-CZ 4.27Å; P284-F388 HydrophobicContact CG-CE2 3.8Å; P284-F388 HydrophobicContact CG-CZ 3.95Å; F285-F388 HydrophobicContact CD2-CB 4.34Å; F285-F388 AromaticContact CD2-CD1 3.57Å; F285-F388 HydrophobicContact CD2-CD1 3.57Å; F285-F388 HydrophobicContact CD2-CD2 4.16Å; F285-F388 AromaticContact CD2-CE1 3.81Å; F285-F388 HydrophobicContact CD2-CE1 3.81Å; F285-F388 HydrophobicContact CD2-CE2 4.37Å; F285-F388 AromaticContact CD2-CG 3.76Å; F285-F388 HydrophobicContact CD2-CG 3.76Å; F285-F388 HydrophobicContact CD2-CZ 4.2Å; F285-F388 HydrophobicContact CE2-CB 3.73Å; F285-F388 AromaticContact CE2-CD1 3.85Å; F285-F388 HydrophobicContact CE2-CD1 3.85Å; F285-F388 AromaticContact CE2-CD2 3.89Å; F285-F388 HydrophobicContact CE2-CD2 3.89Å; F285-F388 HydrophobicContact CE2-CE1 4.44Å; F285-F388 HydrophobicContact CE2-CE2 4.47Å; F285-F388 AromaticContact CE2-CG 3.54Å; F285-F388 HydrophobicContact CE2-CG 3.54Å; I318-F388 HydrophobicContact CG1-CB 4.29Å; M386-F388 HydrophobicContact CE-CD1 4.43Å; M386-F388 HydrophobicContact CG-CD1 4.07Å; M386-F388 HydrophobicContact SD-CD1 4.32Å; F388-V390 HydrophobicContact CD2-CG1 3.95Å; F388-V390 HydrophobicContact CE2-CG1 4.35Å; F388-V390 HydrophobicContact CE2-CG2 4.46Å; F388-R425 WeakPolarHBondContact O-CA 3.1Å; F388-S426 PolarHBondContact N-OG 2.81Å; F388-S426 VanDerWaalsContact N-OG 3.1Å; F388-S426 PolarHBondContact O-N 2.94Å; F388-Y429 HydrophobicContact CE1-CD1 4.14Å; F388-Y429 AromaticContact CE1-CD2 3.75Å; F388-Y429 HydrophobicContact CE1-CD2 3.75Å; F388-Y429 HydrophobicContact CE1-CE1 4.27Å; F388-Y429 AromaticContact CE1-CE2 3.92Å; F388-Y429 HydrophobicContact CE1-CE2 3.92Å; F388-Y429 AromaticContact CE1-CG 3.86Å; F388-Y429 HydrophobicContact CE1-CG 3.86Å; F388-Y429 AromaticContact CZ-CD2 3.95Å; F388-Y429 HydrophobicContact CZ-CD2 3.95Å; F388-Y429 AromaticContact CZ-CE2 3.98Å; F388-Y429 HydrophobicContact CZ-CE2 3.98Å
389E98.3Very high93.6Very high61 Ų6136 Ų3629%0.28520%0.201SC..EExtended strand (participates in β ladder)trans-129.5134.1168.6-166.6179.5122.100109.4A315 Q316 K317 I423 G424A315-E389 CarbonylContact C-O 3.44Å; A315-E389 VanDerWaalsContact CA-O 3.29Å; A315-E389 WeakPolarHBondContact CA-O 3.48Å; Q316-E389 PolarHBondContact N-O 2.85Å; Q316-E389 PolarHBondContact O-N 2.7Å; K317-E389 IonicContact NZ-OE2 3.55Å; K317-E389 PolarHBondContact NZ-OE2 3.26Å; E389-I423 HydrophobicContact CG-CG2 3.8Å; E389-G424 CarbonylContact C-O 3.57Å; E389-G424 WeakPolarHBondContact CA-O 3.4Å
390V97.8Very high94Very high1 Ų138.5 Ų38.51%0.00621%0.211CC..EExtended strand (participates in β ladder)trans-130.3138.7179.1-64.10000111.1P284 F285 F309 A315 F388 F392 P394 G424P284-V390 HydrophobicContact CB-CG1 4.09Å; P284-V390 HydrophobicContact CG-CG2 4.25Å; F285-V390 HydrophobicContact CE2-CG1 4.27Å; F309-V390 HydrophobicContact CE1-CG1 4.37Å; A315-V390 HydrophobicContact CB-CG1 3.78Å; F388-V390 HydrophobicContact CD2-CG1 3.95Å; F388-V390 HydrophobicContact CE2-CG1 4.35Å; F388-V390 HydrophobicContact CE2-CG2 4.46Å; V390-F392 HydrophobicContact CB-CD1 3.68Å; V390-F392 HydrophobicContact CB-CE1 3.49Å; V390-F392 VanDerWaalsContact CB-CE1 3.49Å; V390-F392 HydrophobicContact CB-CZ 4.44Å; V390-F392 HydrophobicContact CG1-CE1 4.05Å; V390-F392 HydrophobicContact CG2-CD1 3.65Å; V390-F392 HydrophobicContact CG2-CE1 3.39Å; V390-F392 HydrophobicContact CG2-CG 4.38Å; V390-F392 HydrophobicContact CG2-CZ 3.93Å; V390-F392 PolarHBondContact O-N 2.84Å; V390-P394 HydrophobicContact CG2-CG 4.5Å; V390-G424 PolarHBondContact N-O 3.41Å; V390-G424 PolarHBondContact O-N 3.01Å
391P96.7Very high94.7Very high67 Ų6738.3 Ų38.344%0.43519%0.192SC..SBendtrans-85.448.8-174.336.3-38.1000112.3L313 L314 Y422L313-P391 HydrophobicContact CB-CG 4.24Å; L313-P391 HydrophobicContact CD2-CG 4.23Å; L314-P391 WeakPolarHBondContact O-CD 3.41Å; P391-Y422 CarbonylContact C-O 3.55Å
392F96.3Very high95.1Very high30 Ų3035.2 Ų35.213%0.13218%0.182CC..SBendtrans-153.6169.9174.371.1-85.8000110.3I282 P284 F309 L313 V390 P394 Y422 G424I282-F392 HydrophobicContact CB-CE2 4.26Å; I282-F392 HydrophobicContact CG2-CE2 4.03Å; I282-F392 HydrophobicContact CG2-CZ 4.3Å; P284-F392 HydrophobicContact CB-CE1 4.47Å; P284-F392 HydrophobicContact CB-CZ 4.07Å; P284-F392 HydrophobicContact CG-CZ 3.91Å; F309-F392 HydrophobicContact CB-CE1 3.77Å; F309-F392 HydrophobicContact CB-CZ 3.91Å; F309-F392 HydrophobicContact CD1-CE1 4.32Å; F309-F392 HydrophobicContact CD2-CE1 4.5Å; F309-F392 AromaticContact CG-CE1 3.97Å; F309-F392 HydrophobicContact CG-CE1 3.97Å; F309-F392 HydrophobicContact CG-CZ 4.46Å; L313-F392 HydrophobicContact CD1-CB 4.27Å; L313-F392 HydrophobicContact CD1-CD1 3.96Å; L313-F392 HydrophobicContact CD1-CG 4.4Å; V390-F392 HydrophobicContact CB-CD1 3.68Å; V390-F392 HydrophobicContact CB-CE1 3.49Å; V390-F392 VanDerWaalsContact CB-CE1 3.49Å; V390-F392 HydrophobicContact CB-CZ 4.44Å; V390-F392 HydrophobicContact CG1-CE1 4.05Å; V390-F392 HydrophobicContact CG2-CD1 3.65Å; V390-F392 HydrophobicContact CG2-CE1 3.39Å; V390-F392 HydrophobicContact CG2-CG 4.38Å; V390-F392 HydrophobicContact CG2-CZ 3.93Å; V390-F392 PolarHBondContact O-N 2.84Å; F392-P394 HydrophobicContact CE2-CG 4.31Å; F392-P394 WeakPolarHBondContact O-CD 3.47Å; F392-Y422 PolarHBondContact N-O 2.76Å; F392-G424 WeakPolarHBondContact O-CA 3.37Å; F392-G424 PolarHBondContact O-N 2.91Å
393A96.3Very high95.2Very high9 Ų937.9 Ų37.97%0.07419%0.188CC..  trans-92107171.500000110.6V175 E177 S395 G396 Y422V175-A393 HydrophobicContact CG1-CB 4.38Å; E177-A393 HydrophobicContact CG-CB 4.47Å; E177-A393 WeakPolarHBondContact OE2-CA 3.45Å; E177-A393 WeakPolarHBondContact OE2-CB 3.15Å; A393-S395 PolarHBondContact O-N 3.48Å; A393-S395 VanDerWaalsContact O-N 3.15Å; A393-G396 PolarHBondContact O-N 2.83Å; A393-Y422 HydrophobicContact CB-CD1 3.89Å
394P95.6Very high95.3Very high0 Ų036.1 Ų36.10%018%0.176CC..THydrogen-bonded Turntrans-46.2-31.5171.4-32.835.9000116.3E177 V179 V194 I281 I282 P284 V390 F392 G396E177-P394 WeakPolarHBondContact OE2-CD 3.19Å; V179-P394 HydrophobicContact CG2-CB 3.43Å; V179-P394 VanDerWaalsContact CG2-CB 3.43Å; V179-P394 HydrophobicContact CG2-CG 3.28Å; V194-P394 HydrophobicContact CG2-CB 3.99Å; I281-P394 HydrophobicContact CG2-CB 4.48Å; I282-P394 PolarHBondContact N-O 2.49Å; P284-P394 HydrophobicContact CG-CG 4.35Å; V390-P394 HydrophobicContact CG2-CG 4.5Å; F392-P394 HydrophobicContact CE2-CG 4.31Å; F392-P394 WeakPolarHBondContact O-CD 3.47Å; P394-G396 VanDerWaalsContact C-N 3.25Å; P394-G396 PolarHBondContact O-N 2.82Å
395S94.7Very high95.2Very high6 Ų641.2 Ų41.24%0.04220%0.199CC..THydrogen-bonded Turntrans-74.8-14.4177.172.70000113.9E177 I239 A393 L397E177-S395 VanDerWaalsContact CD-OG 3.27Å; E177-S395 VanDerWaalsContact OE1-CB 3.28Å; E177-S395 WeakPolarHBondContact OE1-CB 3.39Å; E177-S395 PolarHBondContact OE1-OG 2.86Å; E177-S395 PolarHBondContact OE2-N 2.85Å; E177-S395 PolarHBondContact OE2-OG 2.78Å; I239-S395 WeakPolarHBondContact CD1-OG 3.37Å; A393-S395 PolarHBondContact O-N 3.48Å; A393-S395 VanDerWaalsContact O-N 3.15Å; S395-L397 VanDerWaalsContact C-N 3.29Å; S395-L397 WeakPolarHBondContact OG-CB 3.5Å; S395-L397 PolarHBondContact OG-N 2.98Å
396G92.4Very high95.1Very high13 Ų1340.1 Ų40.113%0.13419%0.191CC..  trans77.58.7-168.600000114.6N215 A393 P394 K398N215-G396 PolarHBondContact ND2-O 3.17Å; A393-G396 PolarHBondContact O-N 2.83Å; P394-G396 VanDerWaalsContact C-N 3.25Å; P394-G396 PolarHBondContact O-N 2.82Å; G396-K398 PolarHBondContact O-N 3.24Å
397L93.4Very high94.8Very high2 Ų243.8 Ų43.81%0.0122%0.215CC..  trans-56.5131.6173.5-170.3143.2000110.6V175 M214 I239 Y275 S395 Y422V175-L397 HydrophobicContact CG1-CD2 3.86Å; V175-L397 HydrophobicContact CG2-CD2 4.03Å; M214-L397 HydrophobicContact SD-CD1 3.99Å; I239-L397 HydrophobicContact CD1-CB 3.84Å; I239-L397 HydrophobicContact CD1-CD1 4.15Å; I239-L397 HydrophobicContact CD1-CG 4.45Å; Y275-L397 HydrophobicContact CD1-CD1 4.43Å; Y275-L397 HydrophobicContact CD2-CD1 4.39Å; Y275-L397 HydrophobicContact CE1-CD1 3.89Å; Y275-L397 HydrophobicContact CE2-CD1 3.84Å; S395-L397 VanDerWaalsContact C-N 3.29Å; S395-L397 WeakPolarHBondContact OG-CB 3.5Å; S395-L397 PolarHBondContact OG-N 2.98Å; L397-Y422 HydrophobicContact CD2-CE1 4.43Å; L397-Y422 VanDerWaalsContact O-CE1 3.3Å; L397-Y422 WeakPolarHBondContact O-CE1 3.39Å
398K92.6Very high94.4Very high99 Ų9947.3 Ų47.343%0.4323%0.227SC..  trans-133132.3173.4-66.3177.5-169.2166.10109.4M214 N215 G396 R400M214-K398 WeakPolarHBondContact CA-O 3.33Å; N215-K398 PolarHBondContact N-O 2.86Å; N215-K398 PolarHBondContact OD1-N 2.9Å; N215-K398 PolarHBondContact OD1-O 3.37Å; G396-K398 PolarHBondContact O-N 3.24Å; K398-R400 PolarHBondContact O-N 2.92Å
399V92.4Very high94.1Very high30 Ų3051.1 Ų51.118%0.18225%0.247CC..EExtended strand (participates in β ladder)trans-68.6114.9167.5-176.30000107.8L173 V175 F212 V420 Y422L173-V399 HydrophobicContact CD1-CG1 4.27Å; L173-V399 HydrophobicContact CD1-CG2 4.4Å; V175-V399 HydrophobicContact CG2-CG2 4.16Å; F212-V399 HydrophobicContact CD2-CG1 4.15Å; F212-V399 HydrophobicContact CE2-CB 4.18Å; F212-V399 HydrophobicContact CE2-CG1 3.64Å; F212-V399 HydrophobicContact CE2-CG2 3.63Å; F212-V399 HydrophobicContact CZ-CG2 4.01Å; V399-V420 HydrophobicContact CB-CG2 4.45Å; V399-V420 HydrophobicContact CG2-CG2 3.85Å; V399-Y422 PolarHBondContact N-OH 2.99Å
400R90.6Very high93.7Very high119 Ų11955.1 Ų55.145%0.44927%0.27SS..EExtended strand (participates in β ladder)trans-81-42.2176.6-73-176.266.6-171.7-0.5111.1G213 M214 N215 K398G213-R400 PolarHBondContact O-N 3.15Å; M214-R400 WeakPolarHBondContact O-CD 3.39Å; N215-R400 HydrophobicContact CB-CG 4.28Å; K398-R400 PolarHBondContact O-N 2.92Å
401Y91.3Very high93.5Very high83 Ų8356 Ų5633%0.32527%0.273SS..EExtended strand (participates in β ladder)trans-157.5153.8177.360.3-98.7000110.9K211 G213 K403K211-Y401 HydrophobicContact CB-CE2 4.46Å; G213-Y401 PolarHBondContact N-O 2.84Å; G213-Y401 PolarHBondContact O-N 3.39Å; Y401-K403 HydrophobicContact CD2-CG 4Å
402L93.9Very high93.3Very high17 Ų1754.7 Ų54.79%0.08927%0.266CS..EExtended strand (participates in β ladder)trans-132.4110.8164.5176.666.1000106.5L171 L173 K211 F212 F263 K418L171-L402 HydrophobicContact CB-CD2 4.2Å; L171-L402 HydrophobicContact CD1-CD2 3.64Å; L171-L402 HydrophobicContact CD1-CG 4.32Å; L173-L402 HydrophobicContact CD1-CD2 3.81Å; L173-L402 HydrophobicContact CG-CD2 4.16Å; K211-L402 CarbonylContact O-C 3.53Å; K211-L402 WeakPolarHBondContact O-CA 3.34Å; F212-L402 HydrophobicContact CB-CD1 4.24Å; F212-L402 HydrophobicContact CD2-CD1 4.38Å; F263-L402 HydrophobicContact CZ-CD1 4.45Å; L402-K418 HydrophobicContact CD2-CD 4.49Å; L402-K418 HydrophobicContact CD2-CG 4.43Å; L402-K418 WeakPolarHBondContact O-CE 3.03Å; L402-K418 PolarHBondContact O-NZ 2.71Å
403K94.9Very high93Very high109 Ų10955.6 Ų55.647%0.47427%0.273SS..EExtended strand (participates in β ladder)trans-99.3146.5176.5-57.3-169.7177.7-172.50110.6C210 K211 Y401 D413C210-K403 CarbonylContact C-O 3.52Å; C210-K403 WeakPolarHBondContact CA-O 3.41Å; K211-K403 HydrophobicContact CB-CB 4.24Å; K211-K403 PolarHBondContact N-O 3Å; K211-K403 PolarHBondContact O-N 3.18Å; Y401-K403 HydrophobicContact CD2-CG 4Å; K403-D413 VanDerWaalsContact C-OD1 3.28Å; K403-D413 WeakPolarHBondContact CA-OD1 3.46Å; K403-D413 WeakPolarHBondContact CB-OD2 3.43Å; K403-D413 WeakPolarHBondContact CG-OD2 3.38Å
404V96.1Very high92.7Very high3 Ų363.7 Ų63.72%0.01831%0.308CS..EExtended strand (participates in β ladder)trans-139.4130.3-177.4-171.50000107.4L171 L204 P208 Y411 S412 D413 V416L171-V404 HydrophobicContact CD1-CG2 3.42Å; L171-V404 VanDerWaalsContact CD1-CG2 3.42Å; L204-V404 HydrophobicContact CD1-CG1 3.97Å; P208-V404 HydrophobicContact CB-CG1 3.95Å; V404-Y411 HydrophobicContact CG1-CE2 4.1Å; V404-S412 CarbonylContact O-C 3.56Å; V404-D413 PolarHBondContact N-OD1 3.1Å; V404-D413 PolarHBondContact O-N 3.42Å; V404-V416 HydrophobicContact CB-CG2 4.21Å; V404-V416 HydrophobicContact CG1-CG2 4.02Å; V404-V416 HydrophobicContact CG2-CG1 4.36Å
405F95.4Very high92.6Very high109 Ų10968 Ų6848%0.47833%0.331SS..EExtended strand (participates in β ladder)trans-142.1122.6178.7179.2-108.6000109.4P208 E209 P407P208-F405 CarbonylContact C-O 3.58Å; P208-F405 WeakPolarHBondContact CA-O 3.38Å; E209-F405 PolarHBondContact N-O 3.18Å; E209-F405 PolarHBondContact O-N 2.88Å; F405-P407 HydrophobicContact CD1-CB 4.49Å; F405-P407 HydrophobicContact CD1-CG 4.48Å; F405-P407 HydrophobicContact CE1-CB 3.68Å; F405-P407 HydrophobicContact CE1-CG 4.08Å; F405-P407 HydrophobicContact CZ-CB 4.03Å
406E95.1Very high92.6Very high2 Ų268.2 Ų68.21%0.00933%0.332CS..BIsolated β-bridgetrans-117.199.5174.4174.649.2-11200109.8M207 P208 K408 L409 N410 Y411M207-E406 VanDerWaalsContact CA-OE2 3.24Å; M207-E406 WeakPolarHBondContact CA-OE2 3.44Å; M207-E406 PolarHBondContact N-OE2 2.69Å; P208-E406 WeakPolarHBondContact CA-OE2 3.28Å; P208-E406 HydrophobicContact CB-CB 4.24Å; E406-K408 PolarHBondContact O-N 3.12Å; E406-K408 WeakPolarHBondContact OE1-CB 3.24Å; E406-K408 PolarHBondContact OE1-N 2.86Å; E406-L409 HydrophobicContact CG-CB 3.69Å; E406-L409 HydrophobicContact CG-CD1 4.32Å; E406-L409 HydrophobicContact CG-CG 4.07Å; E406-N410 WeakPolarHBondContact O-CA 3.23Å; E406-N410 PolarHBondContact O-N 2.85Å; E406-Y411 HydrophobicContact CB-CD1 3.69Å; E406-Y411 HydrophobicContact CB-CD2 4.16Å; E406-Y411 HydrophobicContact CB-CE1 3.4Å; E406-Y411 VanDerWaalsContact CB-CE1 3.4Å; E406-Y411 HydrophobicContact CB-CE2 3.87Å; E406-Y411 HydrophobicContact CB-CG 4.04Å; E406-Y411 VanDerWaalsContact CB-CZ 3.48Å; E406-Y411 HydrophobicContact CG-CD1 3.87Å; E406-Y411 HydrophobicContact CG-CE1 3.51Å; E406-Y411 PolarHBondContact N-O 3.02Å; E406-Y411 PolarHBondContact O-N 3.22Å
407P90.3Very high92.8Very high79 Ų7971.1 Ų71.151%0.51334%0.344SS..THydrogen-bonded Turntrans-68.3-33.5-175.424.6-31.8000113.6F405F405-P407 HydrophobicContact CD1-CB 4.49Å; F405-P407 HydrophobicContact CD1-CG 4.48Å; F405-P407 HydrophobicContact CE1-CB 3.68Å; F405-P407 HydrophobicContact CE1-CG 4.08Å; F405-P407 HydrophobicContact CZ-CB 4.03Å
408K91.4Very high93Very high148 Ų14874.5 Ų74.564%0.64336%0.359SS*.THydrogen-bonded Turntrans-77.2-37-173.8-64.5-176.9178.7-178.90112.3E162 E406E162-K408 IonicContact OE1-NZ 2.76Å; E162-K408 PolarHBondContact OE1-NZ 2.75Å; E406-K408 PolarHBondContact O-N 3.12Å; E406-K408 WeakPolarHBondContact OE1-CB 3.24Å; E406-K408 PolarHBondContact OE1-N 2.86Å
409L90.9Very high93.2Very high87 Ų8777.2 Ų77.246%0.45537%0.366SS..THydrogen-bonded Turntrans-98.82.7179.5-56.1177.1000113E406 Y411E406-L409 HydrophobicContact CG-CB 3.69Å; E406-L409 HydrophobicContact CG-CD1 4.32Å; E406-L409 HydrophobicContact CG-CG 4.07Å; L409-Y411 VanDerWaalsContact C-N 3.31Å; L409-Y411 HydrophobicContact CB-CD1 4Å; L409-Y411 HydrophobicContact CB-CE1 4.36Å; L409-Y411 HydrophobicContact CD1-CE1 4.39Å; L409-Y411 PolarHBondContact O-N 3.45Å
410N89.4Confident93.4Very high145 Ų14579 Ų7978%0.77538%0.378SS*.THydrogen-bonded Turntrans52.342.6175.1-162.336.5000114.2E406E406-N410 WeakPolarHBondContact O-CA 3.23Å; E406-N410 PolarHBondContact O-N 2.85Å
411Y93.8Very high93.7Very high18 Ų1879.6 Ų79.67%0.07138%0.38CS..BIsolated β-bridgetrans-117151.4170.781-105.5000110.9S205 V404 E406 L409 D415 V416S205-Y411 PolarHBondContact N-OH 3.13Å; S205-Y411 WeakPolarHBondContact O-CE1 3.2Å; S205-Y411 PolarHBondContact O-OH 3.14Å; V404-Y411 HydrophobicContact CG1-CE2 4.1Å; E406-Y411 HydrophobicContact CB-CD1 3.69Å; E406-Y411 HydrophobicContact CB-CD2 4.16Å; E406-Y411 HydrophobicContact CB-CE1 3.4Å; E406-Y411 VanDerWaalsContact CB-CE1 3.4Å; E406-Y411 HydrophobicContact CB-CE2 3.87Å; E406-Y411 HydrophobicContact CB-CG 4.04Å; E406-Y411 VanDerWaalsContact CB-CZ 3.48Å; E406-Y411 HydrophobicContact CG-CD1 3.87Å; E406-Y411 HydrophobicContact CG-CE1 3.51Å; E406-Y411 PolarHBondContact N-O 3.02Å; E406-Y411 PolarHBondContact O-N 3.22Å; L409-Y411 VanDerWaalsContact C-N 3.31Å; L409-Y411 HydrophobicContact CB-CD1 4Å; L409-Y411 HydrophobicContact CB-CE1 4.36Å; L409-Y411 HydrophobicContact CD1-CE1 4.39Å; L409-Y411 PolarHBondContact O-N 3.45Å; Y411-D415 HydrophobicContact CD2-CB 4.35Å; Y411-V416 HydrophobicContact CD2-CG2 3.84Å; Y411-V416 HydrophobicContact CE2-CG2 3.65Å
412S92.8Very high94Very high41 Ų4178.3 Ų78.329%0.28738%0.375SS..  trans-134.2-168.1-167.5730000111.9V404 H414 D415V404-S412 CarbonylContact O-C 3.56Å; S412-H414 PolarHBondContact O-N 2.83Å; S412-H414 VanDerWaalsContact O-N 3.14Å; S412-D415 PolarHBondContact N-OD2 2.81Å; S412-D415 PolarHBondContact O-N 2.84Å; S412-D415 PolarHBondContact OG-OD2 2.86Å
413D89.1Confident94.2Very high49 Ų4979.2 Ų79.226%0.26238%0.379SS..G310 helixtrans-53.2-33.3-179.5-85.7-29.8000115.1K403 V404 D415 K418K403-D413 VanDerWaalsContact C-OD1 3.28Å; K403-D413 WeakPolarHBondContact CA-OD1 3.46Å; K403-D413 WeakPolarHBondContact CB-OD2 3.43Å; K403-D413 WeakPolarHBondContact CG-OD2 3.38Å; V404-D413 PolarHBondContact N-OD1 3.1Å; V404-D413 PolarHBondContact O-N 3.42Å; D413-D415 VanDerWaalsContact C-N 3.31Å; D413-K418 PolarHBondContact O-NZ 2.98Å; D413-K418 IonicContact OD1-NZ 2.75Å; D413-K418 PolarHBondContact OD1-NZ 2.82Å
414H89.9Confident94.3Very high179 Ų17974 Ų7483%0.82936%0.356SS*.G310 helixtrans-78.2-19.5-177-62.4-72.7000112.8S412 V416S412-H414 PolarHBondContact O-N 2.83Å; S412-H414 VanDerWaalsContact O-N 3.14Å; H414-V416 VanDerWaalsContact C-N 3.35Å
415D93.6Very high94.4Very high89 Ų8979.4 Ų79.448%0.47638%0.377SS..G310 helixtrans-93.92.3-176.5-51.1-62.8000112.4Y411 S412 D413Y411-D415 HydrophobicContact CD2-CB 4.35Å; S412-D415 PolarHBondContact N-OD2 2.81Å; S412-D415 PolarHBondContact O-N 2.84Å; S412-D415 PolarHBondContact OG-OD2 2.86Å; D413-D415 VanDerWaalsContact C-N 3.31Å
416V96Very high94.4Very high11 Ų1175 Ų757%0.06736%0.359CS..EExtended strand (participates in β ladder)trans-122.2123.6-174.6-177.30000110.5N169 L171 L204 V404 Y411 H414 K418N169-V416 HydrophobicContact CB-CB 4.5Å; N169-V416 HydrophobicContact CB-CG1 4.48Å; N169-V416 HydrophobicContact CB-CG2 3.94Å; N169-V416 WeakPolarHBondContact O-CA 3.45Å; L171-V416 HydrophobicContact CD1-CG1 4.06Å; L171-V416 HydrophobicContact CG-CG1 3.96Å; L204-V416 HydrophobicContact CD2-CG1 3.77Å; L204-V416 HydrophobicContact CD2-CG2 4.14Å; V404-V416 HydrophobicContact CB-CG2 4.21Å; V404-V416 HydrophobicContact CG1-CG2 4.02Å; V404-V416 HydrophobicContact CG2-CG1 4.36Å; Y411-V416 HydrophobicContact CD2-CG2 3.84Å; Y411-V416 HydrophobicContact CE2-CG2 3.65Å; H414-V416 VanDerWaalsContact C-N 3.35Å; V416-K418 HydrophobicContact CG1-CG 4.15Å
417I96.8Very high94.5Very high75 Ų7576 Ų7639%0.38537%0.37SS..EExtended strand (participates in β ladder)trans-80.2128.1173.6-56.7175.2000108.7N169 E170 L171 W419N169-I417 PolarHBondContact O-N 2.84Å; E170-I417 CarbonylContact C-O 3.6Å; E170-I417 WeakPolarHBondContact CA-O 3.42Å; E170-I417 HydrophobicContact CG-CB 4.26Å; L171-I417 PolarHBondContact N-O 2.85Å; I417-W419 VanDerWaalsContact CG2-NE1 3.33Å
418K96.2Very high94.7Very high73 Ų7377.6 Ų77.632%0.31737%0.373SS..EExtended strand (participates in β ladder)trans-123128.2-174.6-60.2165.3-167.7174.40110.3L171 L402 D413 V416L171-K418 HydrophobicContact CB-CG 4.47Å; L171-K418 CarbonylContact O-C 3.57Å; L171-K418 WeakPolarHBondContact O-CA 3.44Å; L402-K418 HydrophobicContact CD2-CD 4.49Å; L402-K418 HydrophobicContact CD2-CG 4.43Å; L402-K418 WeakPolarHBondContact O-CE 3.03Å; L402-K418 PolarHBondContact O-NZ 2.71Å; D413-K418 PolarHBondContact O-NZ 2.98Å; D413-K418 IonicContact OD1-NZ 2.75Å; D413-K418 PolarHBondContact OD1-NZ 2.82Å; V416-K418 HydrophobicContact CG1-CG 4.15Å
419W97.1Very high94.9Very high155 Ų15570.8 Ų70.859%0.58734%0.343SS*.EExtended strand (participates in β ladder)trans-118.8144.7176.1-63.490.4000110.2L171 F172 L173 I417L171-W419 PolarHBondContact O-N 2.63Å; F172-W419 HydrophobicContact CD1-CB 3.61Å; F172-W419 AromaticContact CD1-CD1 3.55Å; F172-W419 AromaticContact CD1-CG 3.71Å; F172-W419 HydrophobicContact CD1-CG 3.71Å; F172-W419 HydrophobicContact CE1-CB 4.14Å; F172-W419 AromaticContact CE1-CD1 3.2Å; F172-W419 HydrophobicContact CE1-CD2 4.48Å; F172-W419 AromaticContact CE1-CG 3.7Å; F172-W419 HydrophobicContact CE1-CG 3.7Å; F172-W419 AromaticContact CE1-NE1 3.72Å; F172-W419 HydrophobicContact CG-CB 4.38Å; F172-W419 AromaticContact CZ-CD1 3.84Å; L173-W419 PolarHBondContact N-O 2.84Å; I417-W419 VanDerWaalsContact CG2-NE1 3.33Å
420V96.9Very high95.2Very high69 Ų6969.6 Ų69.642%0.41834%0.336SS..EExtended strand (participates in β ladder)trans-135.7134.8170.662.20000109.7L173 V175 V399 Y422L173-V420 HydrophobicContact CB-CB 4.34Å; L173-V420 HydrophobicContact CB-CG2 4.17Å; L173-V420 CarbonylContact O-C 3.43Å; L173-V420 VanDerWaalsContact O-CA 3.29Å; L173-V420 WeakPolarHBondContact O-CA 3.23Å; V175-V420 HydrophobicContact CG2-CG2 4.48Å; V399-V420 HydrophobicContact CB-CG2 4.45Å; V399-V420 HydrophobicContact CG2-CG2 3.85Å; V420-Y422 HydrophobicContact CG1-CE2 4.13Å; V420-Y422 HydrophobicContact CG2-CD2 4.38Å; V420-Y422 HydrophobicContact CG2-CE1 4.41Å; V420-Y422 HydrophobicContact CG2-CE2 3.71Å
421R96.6Very high95.5Very high131 Ų13162.8 Ų62.849%0.49430%0.299SS..EExtended strand (participates in β ladder)trans-129147.7168.864.8177.4-176.9173.51.1110.8L173 D174 V175L173-R421 PolarHBondContact O-N 2.88Å; D174-R421 HydrophobicContact CB-CG 4.4Å; D174-R421 WeakPolarHBondContact OD1-CD 3.49Å; D174-R421 WeakPolarHBondContact OD1-CG 3.28Å; D174-R421 IonicContact OD1-CZ 3.22Å; D174-R421 IonicContact OD1-NE 2.74Å; D174-R421 PolarHBondContact OD1-NE 2.9Å; D174-R421 IonicContact OD1-NH2 3.63Å; D174-R421 IonicContact OD2-CZ 2.7Å; D174-R421 IonicContact OD2-NE 3.07Å; D174-R421 PolarHBondContact OD2-NE 2.8Å; D174-R421 IonicContact OD2-NH2 3.97Å; D174-R421 PolarHBondContact OD2-NH2 3.14Å; V175-R421 PolarHBondContact N-O 2.8Å
422Y97.7Very high95.5Very high56 Ų5668 Ų6822%0.2232%0.319CS..EExtended strand (participates in β ladder)trans-117.8125.1179.8-59.5-92.4000109V175 P391 F392 A393 L397 V399 V420V175-Y422 HydrophobicContact CB-CD1 3.57Å; V175-Y422 HydrophobicContact CB-CE1 4Å; V175-Y422 HydrophobicContact CB-CG 4.38Å; V175-Y422 HydrophobicContact CG1-CD1 3.87Å; V175-Y422 HydrophobicContact CG1-CE1 4.29Å; V175-Y422 HydrophobicContact CG2-CD1 3.85Å; V175-Y422 HydrophobicContact CG2-CE1 3.72Å; P391-Y422 CarbonylContact C-O 3.55Å; F392-Y422 PolarHBondContact N-O 2.76Å; A393-Y422 HydrophobicContact CB-CD1 3.89Å; L397-Y422 HydrophobicContact CD2-CE1 4.43Å; L397-Y422 VanDerWaalsContact O-CE1 3.3Å; L397-Y422 WeakPolarHBondContact O-CE1 3.39Å; V399-Y422 PolarHBondContact N-OH 2.99Å; V420-Y422 HydrophobicContact CG1-CE2 4.13Å; V420-Y422 HydrophobicContact CG2-CD2 4.38Å; V420-Y422 HydrophobicContact CG2-CE1 4.41Å; V420-Y422 HydrophobicContact CG2-CE2 3.71Å
423I97.8Very high95Very high35 Ų3567.4 Ų67.418%0.17932%0.315CS..EExtended strand (participates in β ladder)trans-133.8110.8-178.4-52.1177.8000108.7V175 L176 E177 E389V175-I423 PolarHBondContact O-N 2.78Å; L176-I423 WeakPolarHBondContact CA-O 3.33Å; L176-I423 HydrophobicContact CD2-CB 3.81Å; L176-I423 HydrophobicContact CD2-CD1 3.88Å; L176-I423 HydrophobicContact CD2-CG1 4.14Å; E177-I423 PolarHBondContact N-O 3.44Å; E389-I423 HydrophobicContact CG-CG2 3.8Å
424G97.8Very high95.3Very high0 Ų068.4 Ų68.40%032%0.317CS..EExtended strand (participates in β ladder)trans-91.3138.4167.900000109.8E177 E389 V390 F392E177-G424 CarbonylContact O-C 3.5Å; E177-G424 WeakPolarHBondContact O-CA 3.47Å; E389-G424 CarbonylContact C-O 3.57Å; E389-G424 WeakPolarHBondContact CA-O 3.4Å; V390-G424 PolarHBondContact N-O 3.41Å; V390-G424 PolarHBondContact O-N 3.01Å; F392-G424 WeakPolarHBondContact O-CA 3.37Å; F392-G424 PolarHBondContact O-N 2.91Å
425R97.8Very high95.6Very high117 Ų11762.5 Ų62.544%0.44229%0.29SS..EExtended strand (participates in β ladder)trans-135.1160.2172.659.6179.4179.9-171.42.1110.1E177 S178 V179 F388E177-R425 VanDerWaalsContact O-CG 3.31Å; E177-R425 WeakPolarHBondContact O-CG 3.19Å; E177-R425 PolarHBondContact O-N 2.78Å; S178-R425 CarbonylContact C-O 3.54Å; S178-R425 WeakPolarHBondContact CA-O 3.46Å; V179-R425 PolarHBondContact N-O 2.86Å; F388-R425 WeakPolarHBondContact O-CA 3.1Å
426S96.7Very high95.7Very high16 Ų1661.1 Ų61.111%0.11228%0.28CS..EExtended strand (participates in β ladder)trans-64.3133.2164.951.90000110.5M386 N387 F388M386-S426 VanDerWaalsContact O-CB 3.28Å; M386-S426 WeakPolarHBondContact O-CB 3.38Å; N387-S426 WeakPolarHBondContact CA-OG 3.15Å; N387-S426 PolarHBondContact OD1-OG 3.18Å; F388-S426 PolarHBondContact N-OG 2.81Å; F388-S426 VanDerWaalsContact N-OG 3.1Å; F388-S426 PolarHBondContact O-N 2.94Å
427G95.2Very high95.7Very high24 Ų2464 Ų6425%0.24729%0.293CS..EExtended strand (participates in β ladder)trans-92.9-119.1155.500000109.3S178 V179 N180 Y429S178-G427 WeakPolarHBondContact OG-CA 3.38Å; S178-G427 PolarHBondContact OG-N 2.71Å; V179-G427 PolarHBondContact O-N 2.86Å; N180-G427 VanDerWaalsContact OD1-CA 3.3Å; N180-G427 WeakPolarHBondContact OD1-CA 3.27Å; G427-Y429 PolarHBondContact O-N 3.35Å
428I94.7Very high95.7Very high111 Ų11163.3 Ų63.357%0.56929%0.287SS*.EExtended strand (participates in β ladder)trans-81.597.3168.4-57.4173.3000107.6N180 L181 E430N180-I428 CarbonylContact C-O 3.55Å; N180-I428 VanDerWaalsContact CA-O 3.24Å; N180-I428 WeakPolarHBondContact CA-O 3.47Å; N180-I428 PolarHBondContact OD1-N 3.4Å; L181-I428 PolarHBondContact N-O 3.31Å; L181-I428 VanDerWaalsContact O-O 3.09Å; I428-E430 HydrophobicContact CG2-CG 3.99Å
429Y97.2Very high95.6Very high5 Ų562.7 Ų62.72%0.0229%0.285CS..EExtended strand (participates in β ladder)trans-117.592.9-176.5-160.2-79.5000110.3V179 L181 F285 S385 M386 F388 G427V179-Y429 HydrophobicContact CB-CD2 4.33Å; V179-Y429 HydrophobicContact CG1-CD2 4.1Å; V179-Y429 HydrophobicContact CG1-CE2 3.95Å; L181-Y429 HydrophobicContact CB-CD2 3.59Å; L181-Y429 HydrophobicContact CB-CE2 3.61Å; L181-Y429 HydrophobicContact CB-CG 4.09Å; L181-Y429 HydrophobicContact CD1-CE2 4.41Å; L181-Y429 HydrophobicContact CD2-CD1 4.15Å; L181-Y429 HydrophobicContact CD2-CD2 4.45Å; L181-Y429 HydrophobicContact CD2-CE1 3.73Å; L181-Y429 HydrophobicContact CD2-CE2 4.04Å; L181-Y429 HydrophobicContact CG-CE2 4.23Å; F285-Y429 HydrophobicContact CB-CE1 4.49Å; F285-Y429 PolarHBondContact O-OH 2.71Å; S385-Y429 WeakPolarHBondContact CA-O 3.41Å; M386-Y429 HydrophobicContact CB-CD1 3.94Å; M386-Y429 PolarHBondContact N-O 2.8Å; M386-Y429 WeakPolarHBondContact O-CB 3.25Å; F388-Y429 HydrophobicContact CE1-CD1 4.14Å; F388-Y429 AromaticContact CE1-CD2 3.75Å; F388-Y429 HydrophobicContact CE1-CD2 3.75Å; F388-Y429 HydrophobicContact CE1-CE1 4.27Å; F388-Y429 AromaticContact CE1-CE2 3.92Å; F388-Y429 HydrophobicContact CE1-CE2 3.92Å; F388-Y429 AromaticContact CE1-CG 3.86Å; F388-Y429 HydrophobicContact CE1-CG 3.86Å; F388-Y429 AromaticContact CZ-CD2 3.95Å; F388-Y429 HydrophobicContact CZ-CD2 3.95Å; F388-Y429 AromaticContact CZ-CE2 3.98Å; F388-Y429 HydrophobicContact CZ-CE2 3.98Å; G427-Y429 PolarHBondContact O-N 3.35Å
430E96.9Very high95.5Very high63 Ų6356.1 Ų56.129%0.29426%0.263SS..EExtended strand (participates in β ladder)trans-129.2141.2-163.6-72.6-173.3171.900112.6L181 L182 M183 P383 I384 I428L181-E430 PolarHBondContact O-N 2.81Å; L182-E430 CarbonylContact C-O 3.41Å; L182-E430 WeakPolarHBondContact CA-O 3.34Å; L182-E430 HydrophobicContact CD1-CB 4.32Å; M183-E430 PolarHBondContact N-O 3.19Å; P383-E430 HydrophobicContact CB-CB 4.01Å; P383-E430 HydrophobicContact CB-CG 4.44Å; P383-E430 HydrophobicContact CG-CB 4.32Å; P383-E430 HydrophobicContact CG-CG 4.35Å; P383-E430 WeakPolarHBondContact CG-OE2 3.28Å; I384-E430 CarbonylContact O-C 3.52Å; I384-E430 WeakPolarHBondContact O-CA 3.24Å; I428-E430 HydrophobicContact CG2-CG 3.99Å
431T95.8Very high95.4Very high1 Ų155.1 Ų55.11%0.00625%0.251CS..EExtended strand (participates in β ladder)trans-127.4122.9174.6-55.90000109.2M183 P289 P383 I384M183-T431 HydrophobicContact CB-CG2 4.1Å; M183-T431 HydrophobicContact CE-CG2 3.53Å; M183-T431 WeakPolarHBondContact CE-OG1 3.38Å; M183-T431 HydrophobicContact CG-CG2 4.41Å; P289-T431 HydrophobicContact CG-CG2 3.86Å; P383-T431 CarbonylContact C-O 3.56Å; P383-T431 VanDerWaalsContact CA-O 3.32Å; P383-T431 WeakPolarHBondContact CA-O 3.31Å; P383-T431 WeakPolarHBondContact CB-O 3.43Å; I384-T431 PolarHBondContact N-O 3.06Å; I384-T431 PolarHBondContact O-N 2.85Å
432R92.7Very high95.3Very high127 Ų12748.8 Ų48.848%0.47923%0.231SC..  trans-68151.6176.2-66179.7176.9175.3-1.5110.4L182 M183 P185L182-R432 HydrophobicContact CD1-CG 4.19Å; M183-R432 PolarHBondContact O-N 3.28Å; P185-R432 VanDerWaalsContact CA-O 3.25Å; P185-R432 WeakPolarHBondContact CA-O 3.18Å; P185-R432 HydrophobicContact CG-CB 3.9Å
433C83.9Confident95.1Very high30 Ų3048.1 Ų48.120%0.20323%0.232CC..  trans-138.40-178.354.50000113P289 V291 R381 P382 I384P289-C433 HydrophobicContact CB-CB 4.04Å; P289-C433 HydrophobicContact CG-CB 4.03Å; V291-C433 HydrophobicContact CG2-CB 3.96Å; R381-C433 WeakPolarHBondContact CB-O 3.41Å; R381-C433 VanDerWaalsContact CD-O 3.23Å; R381-C433 WeakPolarHBondContact CD-O 3.42Å; R381-C433 VanDerWaalsContact CD-OXT 3.31Å; R381-C433 WeakPolarHBondContact CD-OXT 3.24Å; R381-C433 PolarHBondContact NH1-OXT 3.41Å; P382-C433 PolarHBondContact O-SG 3.48Å; P382-C433 VanDerWaalsContact O-SG 3.33Å; I384-C433 HydrophobicContact CD1-CB 4.23Å

Retrieved 433 of 433 residues in 1742.1 ms (Link to these results)