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Histone deacetylase 11

Responsible for the deacetylation of lysine residues on the N-terminal part of the core histones (H2A, H2B, H3 and H4). Histone deacetylation gives a tag for epigenetic repression and plays an important role in transcriptional regulation, cell cycle progression and developmental events. Histone deacetylases act via the formation of large multiprotein complexes.

AlphaFold DB , UniProt , Accession A0A077ZCI9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 340 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
1M40.4Very low74.3Confident246 Ų24683 Ų83100%1.21249%0.49SS*.  0124.70-67.6179-174.600107.5
2S49.2Very low75.8Confident89 Ų8976.4 Ų76.462%0.62245%0.451SS*.  trans-65134.2177.655.40000110.4
3N58.9Low76.9Confident101 Ų10180 Ų8054%0.5446%0.457SS..  trans-55.2127.2174.2-175-14.3000109.4T5 S6 S7N3-T5 PolarHBondContact O-N 3.06Å; N3-T5 VanDerWaalsContact O-N 3.1Å; N3-T5 PolarHBondContact OD1-N 3.03Å; N3-S6 PolarHBondContact N-OG 2.9Å; N3-S6 WeakPolarHBondContact O-CB 3.5Å; N3-S6 PolarHBondContact O-N 3.33Å; N3-S6 PolarHBondContact O-OG 3.31Å; N3-S7 PolarHBondContact O-N 3.15Å
4P62.4Low78Confident104 Ų10479.8 Ų79.868%0.67547%0.47SS*.Hα-helixtrans-48.3-40.8-178-29.434.5000113.5S7 A8P4-S7 PolarHBondContact O-N 3.23Å; P4-A8 PolarHBondContact O-N 2.93Å
5T72Confident79Confident89 Ų8975.3 Ų75.355%0.54644%0.444SS..Hα-helixtrans-63.5-43.3177.3-47.20000112.2N3 S7 A8 I9N3-T5 PolarHBondContact O-N 3.06Å; N3-T5 VanDerWaalsContact O-N 3.1Å; N3-T5 PolarHBondContact OD1-N 3.03Å; T5-S7 PolarHBondContact O-N 3.26Å; T5-A8 PolarHBondContact O-N 3.5Å; T5-I9 HydrophobicContact CG2-CD1 4.09Å; T5-I9 VanDerWaalsContact O-CG1 3.3Å; T5-I9 WeakPolarHBondContact O-CG1 3.5Å; T5-I9 PolarHBondContact O-N 2.93Å
6S77.4Confident79.8Confident58 Ų5879.3 Ų79.341%0.40646%0.455SS..Hα-helixtrans-61.4-35176.970.50000112.2N3 A10N3-S6 PolarHBondContact N-OG 2.9Å; N3-S6 WeakPolarHBondContact O-CB 3.5Å; N3-S6 PolarHBondContact O-N 3.33Å; N3-S6 PolarHBondContact O-OG 3.31Å; S6-A10 WeakPolarHBondContact O-CB 3.46Å; S6-A10 PolarHBondContact O-N 3.26Å; S6-A10 VanDerWaalsContact O-N 3.09Å
7S88.3Confident80.4Confident25 Ų2575.1 Ų75.118%0.17543%0.43CS..Hα-helixtrans-74.2-39.1179.2-171.90000112.2N3 P4 T5 A10 R11N3-S7 PolarHBondContact O-N 3.15Å; P4-S7 PolarHBondContact O-N 3.23Å; T5-S7 PolarHBondContact O-N 3.26Å; S7-A10 PolarHBondContact O-N 3.47Å; S7-R11 WeakPolarHBondContact O-CG 3.39Å; S7-R11 PolarHBondContact O-N 3.43Å; S7-R11 PolarHBondContact OG-NH1 2.73Å; S7-R11 PolarHBondContact OG-NH2 3.17Å
8A89.2Confident80.4Confident16 Ų1671.9 Ų71.913%0.13241%0.41CS..Hα-helixtrans-64.4-42.5174.700000111.6P4 T5 A10 R11 C12P4-A8 PolarHBondContact O-N 2.93Å; T5-A8 PolarHBondContact O-N 3.5Å; A8-A10 PolarHBondContact O-N 3.49Å; A8-R11 PolarHBondContact O-N 2.93Å; A8-C12 VanDerWaalsContact O-CB 3.26Å; A8-C12 WeakPolarHBondContact O-CB 3.29Å; A8-C12 PolarHBondContact O-N 3.33Å
9I91.2Very high80.1Confident74 Ų7472.6 Ų72.638%0.37941%0.413SS..Hα-helixtrans-59.1-49.3175.1-66.5166.2000110.6T5 R11 C12 K13 I178T5-I9 HydrophobicContact CG2-CD1 4.09Å; T5-I9 VanDerWaalsContact O-CG1 3.3Å; T5-I9 WeakPolarHBondContact O-CG1 3.5Å; T5-I9 PolarHBondContact O-N 2.93Å; I9-R11 PolarHBondContact O-N 3.3Å; I9-C12 PolarHBondContact O-N 3.34Å; I9-K13 HydrophobicContact CG2-CG 4.28Å; I9-K13 WeakPolarHBondContact O-CB 3.22Å; I9-K13 VanDerWaalsContact O-CG 3.31Å; I9-K13 WeakPolarHBondContact O-CG 3.36Å; I9-K13 PolarHBondContact O-N 3.3Å; I9-I178 HydrophobicContact CB-CG2 4.37Å; I9-I178 HydrophobicContact CG1-CG2 4.07Å; I9-I178 HydrophobicContact CG2-CG2 4.43Å
10A94.1Very high79.2Confident62 Ų6273.3 Ų73.351%0.51242%0.42SS..Hα-helixtrans-60.3-43179.700000112.6S6 S7 A8 K13 A14S6-A10 WeakPolarHBondContact O-CB 3.46Å; S6-A10 PolarHBondContact O-N 3.26Å; S6-A10 VanDerWaalsContact O-N 3.09Å; S7-A10 PolarHBondContact O-N 3.47Å; A8-A10 PolarHBondContact O-N 3.49Å; A10-K13 PolarHBondContact O-N 2.93Å; A10-A14 WeakPolarHBondContact O-CB 3.15Å; A10-A14 PolarHBondContact O-N 3.41Å; A10-A14 VanDerWaalsContact O-N 3.11Å
11R94.5Very high78.6Confident49 Ų4971 Ų7119%0.18541%0.406CS..Hα-helixtrans-63.9-46.2176-70.4-171-169.389.218.4111.9S7 A8 I9 K13 A14 S15 D80 V84S7-R11 WeakPolarHBondContact O-CG 3.39Å; S7-R11 PolarHBondContact O-N 3.43Å; S7-R11 PolarHBondContact OG-NH1 2.73Å; S7-R11 PolarHBondContact OG-NH2 3.17Å; A8-R11 PolarHBondContact O-N 2.93Å; I9-R11 PolarHBondContact O-N 3.3Å; R11-K13 VanDerWaalsContact C-N 3.33Å; R11-K13 PolarHBondContact O-N 2.7Å; R11-A14 PolarHBondContact O-N 2.79Å; R11-A14 VanDerWaalsContact O-N 3.16Å; R11-S15 PolarHBondContact O-N 2.87Å; R11-D80 WeakPolarHBondContact CD-O 3.22Å; R11-D80 HydrophobicContact CG-CB 4.23Å; R11-D80 IonicContact NE-OD1 2.88Å; R11-D80 PolarHBondContact NE-OD1 3.03Å; R11-V84 HydrophobicContact CB-CG2 3.87Å
12C91.5Very high79.2Confident4 Ų468.6 Ų68.63%0.02739%0.389CS..Hα-helixtrans-59-44.1178.1-178.50000111.7A8 I9 A14 S15 V84 F175 I178 N179A8-C12 VanDerWaalsContact O-CB 3.26Å; A8-C12 WeakPolarHBondContact O-CB 3.29Å; A8-C12 PolarHBondContact O-N 3.33Å; I9-C12 PolarHBondContact O-N 3.34Å; C12-A14 VanDerWaalsContact C-N 3.31Å; C12-A14 PolarHBondContact O-N 3.06Å; C12-S15 WeakPolarHBondContact O-CB 3.16Å; C12-S15 PolarHBondContact O-N 3.23Å; C12-V84 HydrophobicContact CB-CG1 4.5Å; C12-V84 HydrophobicContact CB-CG2 4.21Å; C12-F175 HydrophobicContact CB-CD1 4.43Å; C12-F175 HydrophobicContact CB-CE1 4.19Å; C12-F175 WeakPolarHBondContact SG-CD1 3.23Å; C12-I178 HydrophobicContact CB-CB 4.36Å; C12-I178 HydrophobicContact CB-CD1 4.17Å; C12-I178 HydrophobicContact CB-CG2 3.66Å; C12-I178 VanDerWaalsContact SG-CG2 3.52Å; C12-N179 PolarHBondContact SG-ND2 3.01Å
13K90.1Very high79.3Confident123 Ų12373.3 Ų73.354%0.53540%0.398SS..Hα-helixtrans-68.9-24.4177.4-67-64.8-179.4-171.90114.1I9 A10 R11 N179I9-K13 HydrophobicContact CG2-CG 4.28Å; I9-K13 WeakPolarHBondContact O-CB 3.22Å; I9-K13 VanDerWaalsContact O-CG 3.31Å; I9-K13 WeakPolarHBondContact O-CG 3.36Å; I9-K13 PolarHBondContact O-N 3.3Å; A10-K13 PolarHBondContact O-N 2.93Å; R11-K13 VanDerWaalsContact C-N 3.33Å; R11-K13 PolarHBondContact O-N 2.7Å; K13-N179 WeakPolarHBondContact CE-OD1 3.44Å; K13-N179 PolarHBondContact NZ-OD1 3.48Å
14A92.7Very high79Confident77 Ų7773.8 Ų73.864%0.63640%0.397SS*.Hα-helixtrans-90-10.2176.900000113.5A10 R11 C12A10-A14 WeakPolarHBondContact O-CB 3.15Å; A10-A14 PolarHBondContact O-N 3.41Å; A10-A14 VanDerWaalsContact O-N 3.11Å; R11-A14 PolarHBondContact O-N 2.79Å; R11-A14 VanDerWaalsContact O-N 3.16Å; C12-A14 VanDerWaalsContact C-N 3.31Å; C12-A14 PolarHBondContact O-N 3.06Å
15S93.7Very high79.1Confident12 Ų1271.8 Ų71.88%0.08440%0.395CS..  trans-68.3144.1-178-172.10000111.9R11 C12 L17 D81 F175R11-S15 PolarHBondContact O-N 2.87Å; C12-S15 WeakPolarHBondContact O-CB 3.16Å; C12-S15 PolarHBondContact O-N 3.23Å; S15-L17 PolarHBondContact OG-N 3.47Å; S15-D81 WeakPolarHBondContact CB-OD1 3.36Å; S15-D81 PolarHBondContact OG-OD1 3.06Å; S15-F175 VanDerWaalsContact CB-CE1 3.4Å
16K90.9Very high78.9Confident140 Ų14071.6 Ų71.661%0.60940%0.397SS*.SBendtrans-105.40.9173.2-58.8-176.4179.9-177.10113Y18 M75K16-Y18 PolarHBondContact O-N 3.19Å; K16-Y18 VanDerWaalsContact O-N 3.17Å; K16-M75 HydrophobicContact CB-SD 3.96Å
17L91Very high79.2Confident8 Ų870.3 Ų70.34%0.04238%0.384CS..THydrogen-bonded Turntrans-66.6-14.5176.9-59.8-176000112.4S15 M75 A77 D81 I133S15-L17 PolarHBondContact OG-N 3.47Å; L17-M75 HydrophobicContact CD2-CB 3.69Å; L17-A77 HydrophobicContact CD1-CB 3.79Å; L17-D81 HydrophobicContact CD1-CB 3.54Å; L17-D81 VanDerWaalsContact CD1-CG 3.46Å; L17-D81 HydrophobicContact CG-CB 4.39Å; L17-I133 HydrophobicContact CB-CB 4.46Å; L17-I133 HydrophobicContact CB-CG2 3.82Å; L17-I133 HydrophobicContact CD1-CD1 3.58Å
18Y79.4Confident79.4Confident17 Ų1769.1 Ų69.17%0.06738%0.376CS..THydrogen-bonded Turntrans-130.312.9-162.2-157.7-90000112.4K16 I133 R137 F175 L176 L181K16-Y18 PolarHBondContact O-N 3.19Å; K16-Y18 VanDerWaalsContact O-N 3.17Å; Y18-I133 HydrophobicContact CD2-CG2 3.57Å; Y18-I133 HydrophobicContact CE2-CG2 4.48Å; Y18-I133 HydrophobicContact CG-CG2 4.38Å; Y18-R137 HydrophobicContact CD2-CB 4.06Å; Y18-R137 HydrophobicContact CE1-CB 4.26Å; Y18-R137 VanDerWaalsContact CE1-CD 3.48Å; Y18-R137 HydrophobicContact CE1-CG 4.18Å; Y18-R137 HydrophobicContact CE2-CB 3.6Å; Y18-R137 HydrophobicContact CE2-CG 4.4Å; Y18-R137 VanDerWaalsContact CZ-CD 3.44Å; Y18-R137 WeakPolarHBondContact OH-CD 3.41Å; Y18-F175 HydrophobicContact CD2-CB 4.24Å; Y18-F175 HydrophobicContact CE2-CB 4.47Å; Y18-F175 HydrophobicContact CG-CD1 4.4Å; Y18-L176 HydrophobicContact CE2-CD2 3.39Å; Y18-L176 WeakPolarHBondContact OH-CD2 3.45Å; Y18-L181 HydrophobicContact CD1-CD1 4.5Å; Y18-L181 HydrophobicContact CE1-CD1 3.31Å; Y18-L181 WeakPolarHBondContact OH-CD1 3.4Å
19D75.9Confident79.7Confident85 Ų8568.3 Ų68.346%0.45537%0.369SS..  trans-54135.2-178.1-76.6-14.1000110.9I21D19-I21 PolarHBondContact O-N 2.95Å
20P62.1Low79.9Confident86 Ų8664.8 Ų64.856%0.55835%0.351SS*.  trans-58.5128.9-177.7-2331.7000112.4K22P20-K22 VanDerWaalsContact C-N 3.25Å; P20-K22 PolarHBondContact O-N 3.06Å
21I65.3Low80.1Confident27 Ų2762.8 Ų62.814%0.13833%0.331CS..  trans-91.858.5-172.4-47.9171.8000109.2D19 K23 H24 L72 L134 V138D19-I21 PolarHBondContact O-N 2.95Å; I21-K23 PolarHBondContact O-N 3.16Å; I21-H24 HydrophobicContact CG2-CB 3.88Å; I21-L72 HydrophobicContact CD1-CD1 4.18Å; I21-L134 HydrophobicContact CD1-CD1 3.58Å; I21-L134 HydrophobicContact CD1-CG 4.39Å; I21-L134 HydrophobicContact CG1-CD1 4.26Å; I21-V138 HydrophobicContact CD1-CB 4.38Å; I21-V138 HydrophobicContact CD1-CG2 3.2Å
22K53.4Low80.2Confident194 Ų19462.3 Ų62.384%0.84333%0.33SS*.THydrogen-bonded Turntrans-69.3-1.7179.1-80-169.5175.4-175.90114.6P20P20-K22 VanDerWaalsContact C-N 3.25Å; P20-K22 PolarHBondContact O-N 3.06Å
23K51.7Low80.3Confident188 Ų18866.6 Ų66.682%0.81736%0.358SS*.THydrogen-bonded Turntrans-133.35.1-164-78.8-168.8176.5-177.20117.5I21I21-K23 PolarHBondContact O-N 3.16Å
24H53.4Low80.6Confident112 Ų11266.6 Ų66.652%0.51936%0.358SS..SBendtrans-128.474.5-173.6-60.7-70.2000112.1I21 H27 L72I21-H24 HydrophobicContact CG2-CB 3.88Å; H24-H27 PolarHBondContact O-CD2 3.48Å; H24-H27 PolarHBondContact O-NE2 3.42Å; H24-L72 HydrophobicContact CB-CD2 4.11Å
25G62.7Low80.8Confident62 Ų6262.9 Ų62.964%0.63933%0.328SS*.THydrogen-bonded Turntrans47.1-161.9163.200000117H27G25-H27 PolarHBondContact O-N 3.42Å
26C68.6Low80.9Confident85 Ų8564.3 Ų64.357%0.57433%0.334SS*.THydrogen-bonded Turntrans-91.451.6169.3-65.50000110.2A28 P338C26-A28 PolarHBondContact O-N 3.11Å; C26-P338 HydrophobicContact CB-CB 4.06Å; C26-P338 HydrophobicContact CB-CG 4.35Å; C26-P338 VanDerWaalsContact O-CG 3.31Å; C26-P338 WeakPolarHBondContact O-CG 3.43Å
27H83.9Confident80.9Confident30 Ų3058.2 Ų58.214%0.13931%0.308CS..  trans-82.4103.3-176.8-56.6-29.2000110.8H24 G25 C70 L72 V138H24-H27 PolarHBondContact O-CD2 3.48Å; H24-H27 PolarHBondContact O-NE2 3.42Å; G25-H27 PolarHBondContact O-N 3.42Å; H27-C70 WeakPolarHBondContact CB-O 3.12Å; H27-C70 VanDerWaalsContact CE1-SG 3.53Å; H27-C70 VanDerWaalsContact ND1-CA 3.29Å; H27-C70 WeakPolarHBondContact ND1-CA 3.26Å; H27-C70 WeakPolarHBondContact ND1-CB 3.3Å; H27-C70 PolarHBondContact ND1-O 2.92Å; H27-L72 HydrophobicContact CB-CD1 4.05Å; H27-L72 HydrophobicContact CB-CD2 3.95Å; H27-L72 HydrophobicContact CB-CG 3.69Å; H27-L72 WeakPolarHBondContact O-CD1 3.49Å; H27-V138 VanDerWaalsContact O-CG1 3.28Å; H27-V138 WeakPolarHBondContact O-CG1 3.48Å
28A92Very high80.7Confident0 Ų060.5 Ų60.50%033%0.325CS..  trans-93.3-7.2-179.100000114.2C26 I142 A145 V146 L337 P338C26-A28 PolarHBondContact O-N 3.11Å; A28-I142 HydrophobicContact CB-CD1 4.02Å; A28-A145 CarbonylContact O-C 3.58Å; A28-A145 VanDerWaalsContact O-CA 3.22Å; A28-A145 WeakPolarHBondContact O-CA 3.4Å; A28-A145 WeakPolarHBondContact O-CB 3.41Å; A28-V146 PolarHBondContact O-N 3.36Å; A28-L337 HydrophobicContact CB-CD2 4.37Å; A28-P338 HydrophobicContact CB-CG 3.45Å; A28-P338 VanDerWaalsContact CB-CG 3.45Å
29F96.1Very high81Confident0 Ų060 Ų600%032%0.323CS..EExtended strand (participates in β ladder)trans-110.8124.1-172.1-69.6-95.6000111.6L60 L66 L72 V146 L328 I332 L337F29-L60 HydrophobicContact CE1-CD1 4.38Å; F29-L66 HydrophobicContact CB-CD1 4.4Å; F29-L66 HydrophobicContact CB-CD2 4.28Å; F29-L66 HydrophobicContact CD1-CD1 4.13Å; F29-L66 HydrophobicContact CD1-CD2 4.2Å; F29-L66 HydrophobicContact CD2-CD2 3.32Å; F29-L66 HydrophobicContact CE1-CD2 4.39Å; F29-L66 HydrophobicContact CE2-CD2 3.57Å; F29-L66 HydrophobicContact CG-CD1 4.12Å; F29-L66 HydrophobicContact CG-CD2 3.67Å; F29-L66 HydrophobicContact CZ-CD2 4.1Å; F29-L72 PolarHBondContact O-N 2.96Å; F29-V146 HydrophobicContact CD1-CB 3.98Å; F29-V146 HydrophobicContact CD1-CG1 4.43Å; F29-V146 HydrophobicContact CD1-CG2 4.38Å; F29-V146 HydrophobicContact CE1-CB 4.07Å; F29-V146 HydrophobicContact CE1-CG1 4.46Å; F29-V146 HydrophobicContact CE1-CG2 4.01Å; F29-V146 HydrophobicContact CZ-CG2 4.41Å; F29-L328 HydrophobicContact CE1-CB 4.4Å; F29-L328 HydrophobicContact CE1-CD1 4.21Å; F29-L328 HydrophobicContact CE1-CD2 4.14Å; F29-L328 HydrophobicContact CE1-CG 4.48Å; F29-I332 HydrophobicContact CE2-CD1 4.06Å; F29-I332 HydrophobicContact CE2-CG1 4.42Å; F29-I332 HydrophobicContact CZ-CD1 3.8Å; F29-I332 HydrophobicContact CZ-CG1 4.2Å; F29-L337 HydrophobicContact CE1-CD1 4.42Å; F29-L337 HydrophobicContact CE2-CB 4.47Å; F29-L337 HydrophobicContact CZ-CB 4.44Å; F29-L337 HydrophobicContact CZ-CD1 3.79Å
30V95.9Very high81.3Confident0 Ų063 Ų630%033%0.329CS..EExtended strand (participates in β ladder)trans-107.8122.4176.4-176.90000109.4L72 P74 L134 A135 V146 N147 I148V30-L72 WeakPolarHBondContact CA-O 3.32Å; V30-L72 HydrophobicContact CG2-CB 4.03Å; V30-L72 HydrophobicContact CG2-CD1 4.25Å; V30-P74 HydrophobicContact CG1-CB 3.86Å; V30-P74 HydrophobicContact CG1-CG 3.99Å; V30-L134 HydrophobicContact CG1-CB 4.5Å; V30-L134 HydrophobicContact CG1-CD2 4.01Å; V30-L134 HydrophobicContact CG2-CD2 4.22Å; V30-L134 HydrophobicContact CG2-CG 4.22Å; V30-A135 HydrophobicContact CB-CB 4.35Å; V30-A135 HydrophobicContact CG2-CB 3.8Å; V30-V146 PolarHBondContact N-O 3.06Å; V30-N147 PolarHBondContact O-OD1 3.29Å; V30-I148 PolarHBondContact O-N 3.09Å
31Y96.9Very high82.2Confident20 Ų2060.2 Ų60.28%0.07832%0.316CS..  trans-157.1150.7179171.1-105.2000111.4P33 Y35 W53 G54 C57 I71 L72 P74 I148Y31-P33 HydrophobicContact CE1-CG 4.24Å; Y31-P33 WeakPolarHBondContact OH-CA 3.31Å; Y31-Y35 AromaticContact CD2-CD2 3.62Å; Y31-Y35 HydrophobicContact CD2-CD2 3.62Å; Y31-Y35 HydrophobicContact CD2-CE2 4.14Å; Y31-Y35 HydrophobicContact CD2-CG 4.16Å; Y31-Y35 HydrophobicContact CE2-CD2 4.05Å; Y31-Y35 HydrophobicContact CE2-CG 4.24Å; Y31-W53 HydrophobicContact CD2-CB 4.44Å; Y31-W53 HydrophobicContact CE2-CB 3.92Å; Y31-G54 WeakPolarHBondContact OH-CA 3.49Å; Y31-C57 HydrophobicContact CD1-CB 3.95Å; Y31-C57 WeakPolarHBondContact CD1-SG 2.75Å; Y31-C57 HydrophobicContact CD2-CB 4.4Å; Y31-C57 HydrophobicContact CE1-CB 3.84Å; Y31-C57 HydrophobicContact CE2-CB 4.31Å; Y31-C57 HydrophobicContact CG-CB 4.22Å; Y31-I71 HydrophobicContact CD1-CG2 4.46Å; Y31-L72 PolarHBondContact N-O 3.49Å; Y31-P74 WeakPolarHBondContact O-CD 3.34Å; Y31-I148 HydrophobicContact CD2-CB 4.06Å; Y31-I148 HydrophobicContact CD2-CD1 4.31Å; Y31-I148 HydrophobicContact CD2-CG2 4.1Å; Y31-I148 HydrophobicContact CG-CD1 4.12Å
32H96.5Very high82.9Confident38 Ų3860.1 Ų60.118%0.17632%0.315CS..  trans-132.7138.8167.1-165.9-51000109.7K34 Y35 T73 P74 L127H32-K34 PolarHBondContact ND1-N 3.46Å; H32-K34 PolarHBondContact O-N 2.85Å; H32-Y35 HydrophobicContact CB-CD1 3.87Å; H32-Y35 HydrophobicContact CB-CE1 3.93Å; H32-Y35 WeakPolarHBondContact O-CB 3.48Å; H32-Y35 PolarHBondContact O-N 3.33Å; H32-T73 VanDerWaalsContact CD2-CG2 3.46Å; H32-T73 WeakPolarHBondContact CD2-CG2 3.36Å; H32-P74 HydrophobicContact CB-CG 4.04Å; H32-L127 HydrophobicContact CB-CD2 3.71Å; H32-L127 HydrophobicContact CB-CG 4.12Å
33P94.9Very high84.1Confident94 Ų9451.7 Ų51.761%0.6128%0.279SS*.THydrogen-bonded Turntrans-50.8-18.5171.4-32.435.7000116.6Y31Y31-P33 HydrophobicContact CE1-CG 4.24Å; Y31-P33 WeakPolarHBondContact OH-CA 3.31Å
34K96.1Very high85.4Confident123 Ų12351 Ų5154%0.53528%0.276SS..THydrogen-bonded Turntrans-90.61.8178.3-72.8179.3-177.7166.80112.7H32 D36 R124 L127H32-K34 PolarHBondContact ND1-N 3.46Å; H32-K34 PolarHBondContact O-N 2.85Å; K34-D36 PolarHBondContact O-N 2.8Å; K34-R124 VanDerWaalsContact O-CB 3.28Å; K34-R124 WeakPolarHBondContact O-CB 3.46Å; K34-R124 WeakPolarHBondContact O-CG 3.44Å; K34-L127 HydrophobicContact CB-CD2 3.59Å
35Y97.1Very high86.6Confident0 Ų050.3 Ų50.30%028%0.283CS..SBendtrans-59-40.9170.2-80.611.6000110.3Y31 H32 I37 W53 P74 L127 Q128 G131 N147Y31-Y35 AromaticContact CD2-CD2 3.62Å; Y31-Y35 HydrophobicContact CD2-CD2 3.62Å; Y31-Y35 HydrophobicContact CD2-CE2 4.14Å; Y31-Y35 HydrophobicContact CD2-CG 4.16Å; Y31-Y35 HydrophobicContact CE2-CD2 4.05Å; Y31-Y35 HydrophobicContact CE2-CG 4.24Å; H32-Y35 HydrophobicContact CB-CD1 3.87Å; H32-Y35 HydrophobicContact CB-CE1 3.93Å; H32-Y35 WeakPolarHBondContact O-CB 3.48Å; H32-Y35 PolarHBondContact O-N 3.33Å; Y35-I37 PolarHBondContact O-N 3.42Å; Y35-W53 HydrophobicContact CD2-CB 4.21Å; Y35-W53 HydrophobicContact CD2-CG 4.3Å; Y35-W53 VanDerWaalsContact O-CE3 3.26Å; Y35-W53 WeakPolarHBondContact O-CZ3 3.31Å; Y35-P74 HydrophobicContact CE1-CG 3.82Å; Y35-P74 WeakPolarHBondContact OH-CG 3.46Å; Y35-L127 HydrophobicContact CD1-CB 4.49Å; Y35-L127 HydrophobicContact CD1-CD2 4.24Å; Y35-L127 HydrophobicContact CD1-CG 4.17Å; Y35-L127 HydrophobicContact CE1-CB 4.34Å; Y35-L127 HydrophobicContact CE1-CD2 4.45Å; Y35-L127 HydrophobicContact CE1-CG 3.93Å; Y35-Q128 HydrophobicContact CD1-CG 3.49Å; Y35-Q128 VanDerWaalsContact CD1-CG 3.49Å; Y35-Q128 HydrophobicContact CD2-CG 3.79Å; Y35-Q128 HydrophobicContact CE1-CB 4.25Å; Y35-Q128 HydrophobicContact CE1-CG 3.61Å; Y35-Q128 HydrophobicContact CE2-CG 3.92Å; Y35-Q128 HydrophobicContact CG-CG 3.57Å; Y35-Q128 PolarHBondContact O-NE2 3.09Å; Y35-G131 WeakPolarHBondContact OH-CA 3.47Å; Y35-N147 VanDerWaalsContact CE2-OD1 3.26Å; Y35-N147 WeakPolarHBondContact CE2-OD1 3.39Å; Y35-N147 PolarHBondContact OH-OD1 3.29Å
36D94.7Very high87.4Confident41 Ų4148.8 Ų48.822%0.21926%0.259CS..SBendtrans-59.9131.5175.9-72.64.9000111.3K34 S50 R51 G54K34-D36 PolarHBondContact O-N 2.8Å; D36-S50 CarbonylContact C-O 3.6Å; D36-S50 VanDerWaalsContact CA-O 3.26Å; D36-S50 WeakPolarHBondContact CA-O 3.25Å; D36-R51 HydrophobicContact CB-CB 4.49Å; D36-R51 HydrophobicContact CB-CG 4.28Å; D36-R51 WeakPolarHBondContact OD1-CA 3.25Å; D36-G54 PolarHBondContact OD1-N 3.18Å
37I91.1Very high87.9Confident13 Ų1348 Ų487%0.06725%0.253CS..  trans-105.3112.4-179.5-58.2168.7000108.4Y35 S50 W53 V121 R124 F125Y35-I37 PolarHBondContact O-N 3.42Å; I37-S50 PolarHBondContact N-O 3.38Å; I37-S50 WeakPolarHBondContact O-CB 3.46Å; I37-S50 PolarHBondContact O-OG 2.8Å; I37-W53 HydrophobicContact CD1-CZ3 4.47Å; I37-W53 HydrophobicContact CG1-CZ3 4.45Å; I37-V121 HydrophobicContact CD1-CG1 4.4Å; I37-V121 HydrophobicContact CG2-CB 4.43Å; I37-V121 HydrophobicContact CG2-CG1 4.3Å; I37-V121 HydrophobicContact CG2-CG2 4.06Å; I37-R124 HydrophobicContact CD1-CB 4.27Å; I37-R124 HydrophobicContact CG1-CB 3.76Å; I37-R124 HydrophobicContact CG1-CG 4.1Å; I37-F125 HydrophobicContact CD1-CD2 3.88Å; I37-F125 HydrophobicContact CD1-CE2 3.42Å; I37-F125 VanDerWaalsContact CD1-CE2 3.42Å; I37-F125 HydrophobicContact CD1-CZ 3.86Å
38S86.3Confident87.7Confident55 Ų5547.9 Ų47.939%0.38525%0.252SS..  trans-113.1125.7168.566.80000109.8
39F87.2Confident87.4Confident6 Ų648.9 Ų48.93%0.02626%0.257CS..SBendtrans-134.668.8-177.9-161.9-108.2000110.9G41 I42 E43 V109 F112 L116 I117 K120 V121F39-G41 PolarHBondContact O-N 3.09Å; F39-G41 VanDerWaalsContact O-N 3.1Å; F39-I42 HydrophobicContact CD1-CB 4.23Å; F39-I42 HydrophobicContact CD1-CD1 3.89Å; F39-I42 HydrophobicContact CE1-CD1 4.09Å; F39-I42 VanDerWaalsContact O-CB 3.29Å; F39-I42 WeakPolarHBondContact O-CB 3.11Å; F39-I42 PolarHBondContact O-N 2.81Å; F39-E43 PolarHBondContact N-OE2 3.36Å; F39-V109 HydrophobicContact CE1-CG1 4.47Å; F39-F112 HydrophobicContact CE1-CB 4.23Å; F39-F112 AromaticContact CE1-CD1 3.89Å; F39-F112 HydrophobicContact CE1-CD1 3.89Å; F39-F112 AromaticContact CE1-CD2 3.54Å; F39-F112 HydrophobicContact CE1-CD2 3.54Å; F39-F112 HydrophobicContact CE1-CE1 4.1Å; F39-F112 AromaticContact CE1-CE2 3.79Å; F39-F112 HydrophobicContact CE1-CE2 3.79Å; F39-F112 AromaticContact CE1-CG 3.59Å; F39-F112 HydrophobicContact CE1-CG 3.59Å; F39-F112 HydrophobicContact CE1-CZ 4.06Å; F39-F112 HydrophobicContact CZ-CB 3.82Å; F39-F112 AromaticContact CZ-CD1 3.67Å; F39-F112 HydrophobicContact CZ-CD1 3.67Å; F39-F112 AromaticContact CZ-CD2 3.99Å; F39-F112 HydrophobicContact CZ-CD2 3.99Å; F39-F112 HydrophobicContact CZ-CE1 4.22Å; F39-F112 AromaticContact CZ-CG 3.52Å; F39-F112 HydrophobicContact CZ-CG 3.52Å; F39-L116 HydrophobicContact CE2-CG 4.19Å; F39-L116 HydrophobicContact CZ-CG 4.45Å; F39-I117 HydrophobicContact CZ-CG1 4.27Å; F39-K120 HydrophobicContact CD2-CB 3.55Å; F39-K120 HydrophobicContact CD2-CG 4.29Å; F39-K120 HydrophobicContact CE2-CB 3.71Å; F39-K120 HydrophobicContact CE2-CG 4.25Å; F39-V121 HydrophobicContact CD2-CG2 3.94Å; F39-V121 HydrophobicContact CE2-CG2 4.41Å; F39-V121 HydrophobicContact CG-CG2 4.25Å
40Y81.9Confident86.9Confident148 Ų14849.5 Ų49.558%0.5826%0.262SS*.THydrogen-bonded Turntrans57.723.3179.2-48.9-67.7000114.6I42 F112 L116Y40-I42 VanDerWaalsContact C-N 3.29Å; Y40-F112 HydrophobicContact CD2-CD1 4.48Å; Y40-F112 AromaticContact CD2-CE1 3.72Å; Y40-F112 HydrophobicContact CD2-CE1 3.72Å; Y40-F112 HydrophobicContact CD2-CZ 4.22Å; Y40-F112 HydrophobicContact CE2-CD1 4.27Å; Y40-F112 AromaticContact CE2-CE1 3.86Å; Y40-F112 HydrophobicContact CE2-CE1 3.86Å; Y40-L116 HydrophobicContact CE2-CD2 4.12Å
41G81.5Confident86.7Confident28 Ų2854.7 Ų54.729%0.28928%0.282SS..THydrogen-bonded Turntrans87.8-9.6-177.900000114F39 E43 K44F39-G41 PolarHBondContact O-N 3.09Å; F39-G41 VanDerWaalsContact O-N 3.1Å; G41-E43 VanDerWaalsContact C-OE2 3.27Å; G41-E43 WeakPolarHBondContact CA-OE2 3.35Å; G41-E43 PolarHBondContact N-OE2 3.44Å; G41-E43 PolarHBondContact O-N 3.02Å; G41-K44 VanDerWaalsContact O-CB 3.31Å; G41-K44 WeakPolarHBondContact O-CB 3.22Å; G41-K44 WeakPolarHBondContact O-CG 3.5Å; G41-K44 PolarHBondContact O-N 2.83Å
42I80.2Confident86.6Confident25 Ų2553.7 Ų53.713%0.12828%0.278CS..G310 helixtrans-61.2-28.9176.5-65.2170.6000110.7F39 Y40 K44 C45 V106 L108 F112F39-I42 HydrophobicContact CD1-CB 4.23Å; F39-I42 HydrophobicContact CD1-CD1 3.89Å; F39-I42 HydrophobicContact CE1-CD1 4.09Å; F39-I42 VanDerWaalsContact O-CB 3.29Å; F39-I42 WeakPolarHBondContact O-CB 3.11Å; F39-I42 PolarHBondContact O-N 2.81Å; Y40-I42 VanDerWaalsContact C-N 3.29Å; I42-K44 PolarHBondContact O-N 2.84Å; I42-K44 VanDerWaalsContact O-N 3.08Å; I42-C45 WeakPolarHBondContact O-CB 3.45Å; I42-C45 PolarHBondContact O-N 2.76Å; I42-V106 HydrophobicContact CG2-CG1 3.62Å; I42-L108 HydrophobicContact CD1-CB 4.5Å; I42-L108 HydrophobicContact CG2-CB 3.75Å; I42-L108 HydrophobicContact CG2-CD1 3.95Å; I42-L108 HydrophobicContact CG2-CG 4.5Å; I42-F112 HydrophobicContact CD1-CD2 4.27Å; I42-F112 HydrophobicContact CD1-CE2 3.2Å; I42-F112 HydrophobicContact CD1-CZ 3.36Å
43E78.3Confident86.5Confident18 Ų1852 Ų528%0.08427%0.27CS..G310 helixtrans-57.5-24.3176.174.4-86.3-16600113F39 G41 C45 H46 S50 R51F39-E43 PolarHBondContact N-OE2 3.36Å; G41-E43 VanDerWaalsContact C-OE2 3.27Å; G41-E43 WeakPolarHBondContact CA-OE2 3.35Å; G41-E43 PolarHBondContact N-OE2 3.44Å; G41-E43 PolarHBondContact O-N 3.02Å; E43-C45 VanDerWaalsContact C-N 3.26Å; E43-C45 PolarHBondContact O-N 3.28Å; E43-H46 PolarHBondContact O-N 3.26Å; E43-S50 WeakPolarHBondContact CB-OG 3.37Å; E43-S50 WeakPolarHBondContact CG-OG 3.47Å; E43-R51 IonicContact OE1-CZ 3.52Å; E43-R51 IonicContact OE1-NE 2.61Å; E43-R51 IonicContact OE1-NH2 3.16Å; E43-R51 PolarHBondContact OE1-NH2 2.71Å
44K78.9Confident86.6Confident172 Ų17248.1 Ų48.175%0.74825%0.247SC*.G310 helixtrans-75.5-14.6178.8-59.7-179.6178-178.50113.3G41 I42 H46G41-K44 VanDerWaalsContact O-CB 3.31Å; G41-K44 WeakPolarHBondContact O-CB 3.22Å; G41-K44 WeakPolarHBondContact O-CG 3.5Å; G41-K44 PolarHBondContact O-N 2.83Å; I42-K44 PolarHBondContact O-N 2.84Å; I42-K44 VanDerWaalsContact O-N 3.08Å; K44-H46 VanDerWaalsContact C-N 3.26Å
45C78.7Confident86.6Confident98 Ų9846.9 Ų46.966%0.66224%0.239SC*.G310 helixtrans-85.1-3.2175.1-59.90000112.4I42 E43 L108I42-C45 WeakPolarHBondContact O-CB 3.45Å; I42-C45 PolarHBondContact O-N 2.76Å; E43-C45 VanDerWaalsContact C-N 3.26Å; E43-C45 PolarHBondContact O-N 3.28Å; C45-L108 HydrophobicContact CB-CD1 4.45Å
46H79.3Confident86.6Confident30 Ų3046.9 Ų46.914%0.13924%0.239CC..SBendtrans-104.1141.4-177.6-169.2-92.4000110.1E43 K44 F48 L104 V106 F163E43-H46 PolarHBondContact O-N 3.26Å; K44-H46 VanDerWaalsContact C-N 3.26Å; H46-F48 VanDerWaalsContact C-N 3.25Å; H46-F48 VanDerWaalsContact CE1-CB 3.41Å; H46-F48 WeakPolarHBondContact CE1-CB 3.3Å; H46-F48 WeakPolarHBondContact ND1-CB 3.38Å; H46-F48 PolarHBondContact ND1-N 2.95Å; H46-F48 PolarHBondContact O-N 3.25Å; H46-L104 PolarHBondContact NE2-O 3.04Å; H46-L104 VanDerWaalsContact NE2-O 3.09Å; H46-V106 HydrophobicContact CB-CG2 4.02Å; H46-V106 WeakPolarHBondContact CD2-CG2 3.28Å; H46-F163 AromaticContact CE1-CD1 3.37Å; H46-F163 WeakPolarHBondContact CE1-CD1 3.25Å; H46-F163 AromaticContact CE1-CE1 3.33Å; H46-F163 WeakPolarHBondContact CE1-CE1 3.28Å; H46-F163 AromaticContact CE1-CG 3.81Å; H46-F163 AromaticContact CE1-CZ 3.71Å; H46-F163 AromaticContact NE2-CD1 3.21Å; H46-F163 WeakPolarHBondContact NE2-CD1 3.42Å; H46-F163 AromaticContact NE2-CE1 2.98Å; H46-F163 WeakPolarHBondContact NE2-CE1 3.44Å; H46-F163 AromaticContact NE2-CZ 3.72Å
47P78.2Confident86.7Confident70 Ų7045.2 Ų45.246%0.45523%0.23SC..SBendtrans-63.6-30.3-179.324.1-34.5000113.2D49 F163 L278 Y316P47-D49 PolarHBondContact O-N 3.41Å; P47-F163 HydrophobicContact CG-CZ 4.35Å; P47-L278 HydrophobicContact CB-CD1 4.27Å; P47-L278 HydrophobicContact CG-CD1 4.15Å; P47-Y316 HydrophobicContact CB-CD1 4.46Å
48F80.9Confident87Confident27 Ų2750.3 Ų50.312%0.11825%0.252CS..SBendtrans-72.1127.5179.5-173.6-95.7000113H46 S50 W53 Y316H46-F48 VanDerWaalsContact C-N 3.25Å; H46-F48 VanDerWaalsContact CE1-CB 3.41Å; H46-F48 WeakPolarHBondContact CE1-CB 3.3Å; H46-F48 WeakPolarHBondContact ND1-CB 3.38Å; H46-F48 PolarHBondContact ND1-N 2.95Å; H46-F48 PolarHBondContact O-N 3.25Å; F48-S50 VanDerWaalsContact C-N 3.32Å; F48-S50 PolarHBondContact O-N 2.99Å; F48-W53 AromaticContact CE1-CH2 3.41Å; F48-W53 HydrophobicContact CE1-CH2 3.41Å; F48-W53 VanDerWaalsContact CE1-CH2 3.41Å; F48-W53 AromaticContact CE1-CZ2 3.65Å; F48-W53 HydrophobicContact CE1-CZ2 3.65Å; F48-W53 HydrophobicContact CE1-CZ3 4.18Å; F48-W53 AromaticContact CZ-CH2 3.82Å; F48-W53 HydrophobicContact CZ-CH2 3.82Å; F48-W53 AromaticContact CZ-CZ2 3.52Å; F48-W53 HydrophobicContact CZ-CZ2 3.52Å; F48-Y316 HydrophobicContact CB-CD1 3.94Å; F48-Y316 HydrophobicContact CB-CE1 4Å; F48-Y316 AromaticContact CD2-CD1 3.93Å; F48-Y316 HydrophobicContact CD2-CD1 3.93Å; F48-Y316 AromaticContact CD2-CE1 3.6Å; F48-Y316 HydrophobicContact CD2-CE1 3.6Å; F48-Y316 HydrophobicContact CG-CD1 4.44Å; F48-Y316 HydrophobicContact CG-CE1 4.29Å
49D84.1Confident87.5Confident20 Ų2049.7 Ų49.711%0.10724%0.243CC..  trans-71.186.1171.7178.318.4000111.5P47 R51 K52 R55P47-D49 PolarHBondContact O-N 3.41Å; D49-R51 PolarHBondContact O-N 2.8Å; D49-R51 PolarHBondContact OD1-N 3.04Å; D49-K52 HydrophobicContact CB-CB 4.09Å; D49-K52 VanDerWaalsContact O-CB 3.23Å; D49-K52 WeakPolarHBondContact O-CB 3.35Å; D49-K52 PolarHBondContact O-N 3.44Å; D49-K52 PolarHBondContact OD1-N 3.47Å; D49-K52 VanDerWaalsContact OD2-CA 3.26Å; D49-K52 WeakPolarHBondContact OD2-CA 3.36Å; D49-K52 WeakPolarHBondContact OD2-CB 3.49Å; D49-K52 PolarHBondContact OD2-N 2.92Å; D49-R55 IonicContact OD1-CZ 2.57Å; D49-R55 IonicContact OD1-NE 3.23Å; D49-R55 IonicContact OD1-NH2 3.76Å; D49-R55 PolarHBondContact OD1-NH2 3.16Å; D49-R55 IonicContact OD2-CZ 2.79Å; D49-R55 IonicContact OD2-NE 2.76Å; D49-R55 PolarHBondContact OD2-NE 2.54Å; D49-R55 IonicContact OD2-NH1 3.95Å; D49-R55 IonicContact OD2-NH2 3.57Å; D49-R55 PolarHBondContact OD2-NH2 3.33Å
50S86.6Confident88Confident14 Ų1449.4 Ų49.410%0.09824%0.241CC..THydrogen-bonded Turntrans-61.9-1.9176.154.30000115.5D36 I37 E43 F48 W53D36-S50 CarbonylContact C-O 3.6Å; D36-S50 VanDerWaalsContact CA-O 3.26Å; D36-S50 WeakPolarHBondContact CA-O 3.25Å; I37-S50 PolarHBondContact N-O 3.38Å; I37-S50 WeakPolarHBondContact O-CB 3.46Å; I37-S50 PolarHBondContact O-OG 2.8Å; E43-S50 WeakPolarHBondContact CB-OG 3.37Å; E43-S50 WeakPolarHBondContact CG-OG 3.47Å; F48-S50 VanDerWaalsContact C-N 3.32Å; F48-S50 PolarHBondContact O-N 2.99Å; S50-W53 WeakPolarHBondContact O-CZ3 3.39Å
51R91.3Very high88.7Confident108 Ų10844.4 Ų44.441%0.40823%0.225SC..THydrogen-bonded Turntrans-120.914.2174.5-54.9-171.2-171.8-170.22.5113D36 E43 D49 W53 R55D36-R51 HydrophobicContact CB-CB 4.49Å; D36-R51 HydrophobicContact CB-CG 4.28Å; D36-R51 WeakPolarHBondContact OD1-CA 3.25Å; E43-R51 IonicContact OE1-CZ 3.52Å; E43-R51 IonicContact OE1-NE 2.61Å; E43-R51 IonicContact OE1-NH2 3.16Å; E43-R51 PolarHBondContact OE1-NH2 2.71Å; D49-R51 PolarHBondContact O-N 2.8Å; D49-R51 PolarHBondContact OD1-N 3.04Å; R51-W53 PolarHBondContact O-N 3.35Å; R51-R55 PolarHBondContact O-N 3.02Å
52K94.5Very high89.4Confident0 Ų049.5 Ų49.50%024%0.241CC..Hα-helixtrans-55.6-42.2180-172.4175.969.1177.10111.1D49 R55 I56 T312 S313 G314 N320 A321 I324D49-K52 HydrophobicContact CB-CB 4.09Å; D49-K52 VanDerWaalsContact O-CB 3.23Å; D49-K52 WeakPolarHBondContact O-CB 3.35Å; D49-K52 PolarHBondContact O-N 3.44Å; D49-K52 PolarHBondContact OD1-N 3.47Å; D49-K52 VanDerWaalsContact OD2-CA 3.26Å; D49-K52 WeakPolarHBondContact OD2-CA 3.36Å; D49-K52 WeakPolarHBondContact OD2-CB 3.49Å; D49-K52 PolarHBondContact OD2-N 2.92Å; K52-R55 WeakPolarHBondContact O-CB 3.49Å; K52-R55 PolarHBondContact O-N 3.23Å; K52-I56 HydrophobicContact CG-CD1 3.9Å; K52-I56 HydrophobicContact CG-CG1 4.45Å; K52-I56 VanDerWaalsContact O-CG1 3.29Å; K52-I56 WeakPolarHBondContact O-CG1 3.37Å; K52-I56 PolarHBondContact O-N 2.9Å; K52-T312 PolarHBondContact NZ-O 3.11Å; K52-S313 PolarHBondContact NZ-O 3.08Å; K52-G314 PolarHBondContact NZ-O 2.92Å; K52-N320 HydrophobicContact CD-CB 3.95Å; K52-A321 HydrophobicContact CG-CB 3.97Å; K52-I324 HydrophobicContact CD-CD1 3.76Å; K52-I324 HydrophobicContact CG-CD1 4.34Å
53W95.8Very high90.1Very high2 Ų252.7 Ų52.71%0.00825%0.254CS..Hα-helixtrans-65.4-47.5-174.1-50.9-61.7000113.5Y31 Y35 I37 F48 S50 R51 R55 I56 C57 Q128 I148 G149Y31-W53 HydrophobicContact CD2-CB 4.44Å; Y31-W53 HydrophobicContact CE2-CB 3.92Å; Y35-W53 HydrophobicContact CD2-CB 4.21Å; Y35-W53 HydrophobicContact CD2-CG 4.3Å; Y35-W53 VanDerWaalsContact O-CE3 3.26Å; Y35-W53 WeakPolarHBondContact O-CZ3 3.31Å; I37-W53 HydrophobicContact CD1-CZ3 4.47Å; I37-W53 HydrophobicContact CG1-CZ3 4.45Å; F48-W53 AromaticContact CE1-CH2 3.41Å; F48-W53 HydrophobicContact CE1-CH2 3.41Å; F48-W53 VanDerWaalsContact CE1-CH2 3.41Å; F48-W53 AromaticContact CE1-CZ2 3.65Å; F48-W53 HydrophobicContact CE1-CZ2 3.65Å; F48-W53 HydrophobicContact CE1-CZ3 4.18Å; F48-W53 AromaticContact CZ-CH2 3.82Å; F48-W53 HydrophobicContact CZ-CH2 3.82Å; F48-W53 AromaticContact CZ-CZ2 3.52Å; F48-W53 HydrophobicContact CZ-CZ2 3.52Å; S50-W53 WeakPolarHBondContact O-CZ3 3.39Å; R51-W53 PolarHBondContact O-N 3.35Å; W53-R55 VanDerWaalsContact C-N 3.27Å; W53-R55 PolarHBondContact O-N 2.62Å; W53-I56 PolarHBondContact O-N 2.93Å; W53-C57 PolarHBondContact O-N 3.31Å; W53-Q128 VanDerWaalsContact CZ2-NE2 3.33Å; W53-I148 HydrophobicContact CB-CG2 3.98Å; W53-G149 VanDerWaalsContact CD1-CA 3.48Å; W53-G149 VanDerWaalsContact NE1-CA 3.33Å
54G95.7Very high90.9Very high12 Ų1253.7 Ų53.712%0.12427%0.269CS..Hα-helixtrans-60.9-36.4173.500000112.9Y31 D36 K58Y31-G54 WeakPolarHBondContact OH-CA 3.49Å; D36-G54 PolarHBondContact OD1-N 3.18Å; G54-K58 WeakPolarHBondContact O-CB 3.35Å; G54-K58 PolarHBondContact O-N 3.23Å
55R96.8Very high91.7Very high98 Ų9847.3 Ų47.337%0.3724%0.241SC..Hα-helixtrans-68.2-38.9175.5-72.8-168.7-90.3-178.6-23.1113.4D49 R51 K52 W53 Q59 S318 A321D49-R55 IonicContact OD1-CZ 2.57Å; D49-R55 IonicContact OD1-NE 3.23Å; D49-R55 IonicContact OD1-NH2 3.76Å; D49-R55 PolarHBondContact OD1-NH2 3.16Å; D49-R55 IonicContact OD2-CZ 2.79Å; D49-R55 IonicContact OD2-NE 2.76Å; D49-R55 PolarHBondContact OD2-NE 2.54Å; D49-R55 IonicContact OD2-NH1 3.95Å; D49-R55 IonicContact OD2-NH2 3.57Å; D49-R55 PolarHBondContact OD2-NH2 3.33Å; R51-R55 PolarHBondContact O-N 3.02Å; K52-R55 WeakPolarHBondContact O-CB 3.49Å; K52-R55 PolarHBondContact O-N 3.23Å; W53-R55 VanDerWaalsContact C-N 3.27Å; W53-R55 PolarHBondContact O-N 2.62Å; R55-Q59 WeakPolarHBondContact O-CG 3.44Å; R55-Q59 PolarHBondContact O-N 3.5Å; R55-Q59 VanDerWaalsContact O-N 3.13Å; R55-Q59 PolarHBondContact O-NE2 2.78Å; R55-S318 PolarHBondContact NH1-O 3.21Å; R55-S318 VanDerWaalsContact NH1-O 3.15Å; R55-A321 HydrophobicContact CB-CB 3.6Å
56I97.4Very high92.4Very high0 Ų043.1 Ų43.10%021%0.211CC..Hα-helixtrans-61.5-54.4174.3-66.7158.4000109.6K52 W53 K58 Q59 L60 I148 A321 I324 A325 L328K52-I56 HydrophobicContact CG-CD1 3.9Å; K52-I56 HydrophobicContact CG-CG1 4.45Å; K52-I56 VanDerWaalsContact O-CG1 3.29Å; K52-I56 WeakPolarHBondContact O-CG1 3.37Å; K52-I56 PolarHBondContact O-N 2.9Å; W53-I56 PolarHBondContact O-N 2.93Å; I56-K58 PolarHBondContact O-N 3.38Å; I56-Q59 PolarHBondContact O-N 3.23Å; I56-L60 HydrophobicContact CG2-CD1 3.96Å; I56-L60 PolarHBondContact O-N 3.47Å; I56-L60 VanDerWaalsContact O-N 3.08Å; I56-I148 HydrophobicContact CB-CG2 4.08Å; I56-I148 HydrophobicContact CD1-CG2 4.16Å; I56-I148 HydrophobicContact CG2-CG2 4.08Å; I56-A321 HydrophobicContact CG1-CB 4.02Å; I56-A321 WeakPolarHBondContact CG1-O 3.48Å; I56-I324 HydrophobicContact CD1-CB 3.94Å; I56-I324 HydrophobicContact CD1-CD1 3.74Å; I56-I324 HydrophobicContact CD1-CG1 4.45Å; I56-I324 HydrophobicContact CD1-CG2 3.63Å; I56-I324 HydrophobicContact CG1-CB 4.02Å; I56-I324 HydrophobicContact CG1-CG2 3.97Å; I56-I324 HydrophobicContact CG2-CG2 4.04Å; I56-A325 HydrophobicContact CG2-CB 4.4Å; I56-L328 HydrophobicContact CG2-CD1 3.91Å
57C96.6Very high93Very high5 Ų544.9 Ų44.93%0.03422%0.222CC..Hα-helixtrans-58.1-48-177.6-174.90000111.4Y31 W53 Q59 L60 L61 I71 I148Y31-C57 HydrophobicContact CD1-CB 3.95Å; Y31-C57 WeakPolarHBondContact CD1-SG 2.75Å; Y31-C57 HydrophobicContact CD2-CB 4.4Å; Y31-C57 HydrophobicContact CE1-CB 3.84Å; Y31-C57 HydrophobicContact CE2-CB 4.31Å; Y31-C57 HydrophobicContact CG-CB 4.22Å; W53-C57 PolarHBondContact O-N 3.31Å; C57-Q59 PolarHBondContact O-N 3.21Å; C57-L60 PolarHBondContact O-N 2.9Å; C57-L61 WeakPolarHBondContact O-CG 3.26Å; C57-L61 PolarHBondContact O-N 3.01Å; C57-I71 VanDerWaalsContact SG-CD1 3.56Å; C57-I148 HydrophobicContact CB-CD1 3.9Å
58K96.6Very high93.6Very high121 Ų12148.5 Ų48.553%0.52623%0.233SC..Hα-helixtrans-56.1-47176.7179.8178.3171.5-1790112.4G54 I56 L60 L61 E62G54-K58 WeakPolarHBondContact O-CB 3.35Å; G54-K58 PolarHBondContact O-N 3.23Å; I56-K58 PolarHBondContact O-N 3.38Å; K58-L60 PolarHBondContact O-N 3.31Å; K58-L61 PolarHBondContact O-N 3.5Å; K58-E62 VanDerWaalsContact CE-CD 3.43Å; K58-E62 WeakPolarHBondContact CE-OE1 3.28Å; K58-E62 HydrophobicContact CG-CG 4.33Å; K58-E62 IonicContact NZ-OE1 3.35Å; K58-E62 WeakPolarHBondContact O-CB 3.39Å; K58-E62 WeakPolarHBondContact O-CG 3.47Å; K58-E62 PolarHBondContact O-N 3.2Å
59Q97.3Very high94Very high41 Ų4155.3 Ų55.319%0.19226%0.262CS..Hα-helixtrans-64.6-38.9-179.5-76.9-179.359.700112.7R55 I56 C57 E62 K63 A325R55-Q59 WeakPolarHBondContact O-CG 3.44Å; R55-Q59 PolarHBondContact O-N 3.5Å; R55-Q59 VanDerWaalsContact O-N 3.13Å; R55-Q59 PolarHBondContact O-NE2 2.78Å; I56-Q59 PolarHBondContact O-N 3.23Å; C57-Q59 PolarHBondContact O-N 3.21Å; Q59-E62 PolarHBondContact O-N 2.86Å; Q59-K63 WeakPolarHBondContact O-CB 3.36Å; Q59-K63 VanDerWaalsContact O-CG 3.29Å; Q59-K63 WeakPolarHBondContact O-CG 3.44Å; Q59-K63 PolarHBondContact O-N 2.92Å; Q59-A325 HydrophobicContact CB-CB 3.84Å
60L96.8Very high94.2Very high0 Ų055.2 Ų55.20%026%0.263CS..Hα-helixtrans-66.8-38177.2-71.3170.7000112.3F29 I56 C57 K58 G64 Y65 L66 A325 L328 A329F29-L60 HydrophobicContact CE1-CD1 4.38Å; I56-L60 HydrophobicContact CG2-CD1 3.96Å; I56-L60 PolarHBondContact O-N 3.47Å; I56-L60 VanDerWaalsContact O-N 3.08Å; C57-L60 PolarHBondContact O-N 2.9Å; K58-L60 PolarHBondContact O-N 3.31Å; L60-G64 PolarHBondContact O-N 3.18Å; L60-Y65 PolarHBondContact O-N 3.46Å; L60-L66 HydrophobicContact CB-CB 4.42Å; L60-L66 HydrophobicContact CB-CD1 3.65Å; L60-L66 HydrophobicContact CB-CG 3.84Å; L60-L66 HydrophobicContact CD1-CD1 3.72Å; L60-L66 HydrophobicContact CD1-CG 4.4Å; L60-L66 HydrophobicContact CG-CD1 4.32Å; L60-L66 PolarHBondContact O-N 2.62Å; L60-A325 HydrophobicContact CD2-CB 4.38Å; L60-A325 WeakPolarHBondContact CD2-O 3.45Å; L60-A325 HydrophobicContact CG-CB 4.22Å; L60-L328 HydrophobicContact CD1-CB 4.19Å; L60-L328 HydrophobicContact CD1-CD1 3.82Å; L60-L328 HydrophobicContact CD2-CB 4.12Å; L60-A329 HydrophobicContact CD2-CB 4.46Å
61L96.4Very high94.5Very high44 Ų4455.6 Ų55.623%0.2326%0.264CS..Hα-helixtrans-64.8-49.7172.8-69.1167.3000111.3C57 K58 K63 G64 L66 E68 I71C57-L61 WeakPolarHBondContact O-CG 3.26Å; C57-L61 PolarHBondContact O-N 3.01Å; K58-L61 PolarHBondContact O-N 3.5Å; L61-K63 VanDerWaalsContact C-N 3.26Å; L61-K63 PolarHBondContact O-N 3.05Å; L61-G64 PolarHBondContact O-N 3.3Å; L61-L66 HydrophobicContact CD2-CB 3.94Å; L61-L66 WeakPolarHBondContact CD2-O 3.28Å; L61-L66 HydrophobicContact CG-CB 4.46Å; L61-E68 HydrophobicContact CD1-CG 3.92Å; L61-E68 HydrophobicContact CD2-CB 4.47Å; L61-E68 HydrophobicContact CD2-CG 3.71Å; L61-E68 HydrophobicContact CG-CG 4.5Å; L61-I71 HydrophobicContact CD2-CD1 4.26Å
62E96.9Very high94.6Very high134 Ų13451.3 Ų51.363%0.62625%0.248SC*.Hα-helixtrans-62-32.5-179.1-75.3176.7157.700112.9K58 Q59 G64K58-E62 VanDerWaalsContact CE-CD 3.43Å; K58-E62 WeakPolarHBondContact CE-OE1 3.28Å; K58-E62 HydrophobicContact CG-CG 4.33Å; K58-E62 IonicContact NZ-OE1 3.35Å; K58-E62 WeakPolarHBondContact O-CB 3.39Å; K58-E62 WeakPolarHBondContact O-CG 3.47Å; K58-E62 PolarHBondContact O-N 3.2Å; Q59-E62 PolarHBondContact O-N 2.86Å; E62-G64 VanDerWaalsContact C-N 3.32Å
63K96Very high94.6Very high93 Ų9355.7 Ų55.740%0.40428%0.275SS..THydrogen-bonded Turntrans-83.7-3.2175.5-69.5179.4178.8-171.60113.9Q59 L61 Y65 D326Q59-K63 WeakPolarHBondContact O-CB 3.36Å; Q59-K63 VanDerWaalsContact O-CG 3.29Å; Q59-K63 WeakPolarHBondContact O-CG 3.44Å; Q59-K63 PolarHBondContact O-N 2.92Å; L61-K63 VanDerWaalsContact C-N 3.26Å; L61-K63 PolarHBondContact O-N 3.05Å; K63-Y65 VanDerWaalsContact C-N 3.35Å; K63-Y65 HydrophobicContact CB-CD2 3.59Å; K63-Y65 HydrophobicContact CB-CE2 3.94Å; K63-Y65 HydrophobicContact CD-CD2 4.38Å; K63-Y65 HydrophobicContact CD-CE2 4.3Å; K63-Y65 PolarHBondContact O-N 3.29Å; K63-D326 IonicContact NZ-OD1 2.7Å; K63-D326 PolarHBondContact NZ-OD1 3.23Å
64G95.1Very high94.6Very high39 Ų3955.9 Ų55.940%0.40228%0.277SS..THydrogen-bonded Turntrans69.328.3179.700000114.4L60 L61 E62 R339L60-G64 PolarHBondContact O-N 3.18Å; L61-G64 PolarHBondContact O-N 3.3Å; E62-G64 VanDerWaalsContact C-N 3.32Å; G64-R339 PolarHBondContact O-NH2 2.93Å
65Y95.3Very high94.6Very high38 Ų3860.3 Ų60.315%0.14930%0.296CS..SBendtrans-87.4-26.4170.4-77.9-83.9000112.2L60 K63 A329 I332 D333L60-Y65 PolarHBondContact O-N 3.46Å; K63-Y65 VanDerWaalsContact C-N 3.35Å; K63-Y65 HydrophobicContact CB-CD2 3.59Å; K63-Y65 HydrophobicContact CB-CE2 3.94Å; K63-Y65 HydrophobicContact CD-CD2 4.38Å; K63-Y65 HydrophobicContact CD-CE2 4.3Å; K63-Y65 PolarHBondContact O-N 3.29Å; Y65-A329 HydrophobicContact CD1-CB 4.04Å; Y65-A329 HydrophobicContact CD2-CB 3.87Å; Y65-A329 HydrophobicContact CE1-CB 3.73Å; Y65-A329 HydrophobicContact CE2-CB 3.57Å; Y65-A329 HydrophobicContact CG-CB 4.1Å; Y65-A329 VanDerWaalsContact CZ-CB 3.49Å; Y65-I332 HydrophobicContact CD1-CB 3.97Å; Y65-I332 HydrophobicContact CD1-CD1 3.84Å; Y65-I332 HydrophobicContact CD1-CG2 3.88Å; Y65-I332 HydrophobicContact CE1-CB 4.37Å; Y65-I332 HydrophobicContact CE1-CG2 4.36Å; Y65-I332 HydrophobicContact CG-CD1 4.26Å; Y65-D333 WeakPolarHBondContact CE1-OD1 3.28Å; Y65-D333 WeakPolarHBondContact CE1-OD2 3.2Å; Y65-D333 PolarHBondContact OH-OD2 3.1Å
66L93.1Very high94.6Very high9 Ų959.5 Ų59.55%0.04730%0.296CS..  trans-124.1148.7175.6-61.5-178.9000111F29 L60 L61 I71 C340F29-L66 HydrophobicContact CB-CD1 4.4Å; F29-L66 HydrophobicContact CB-CD2 4.28Å; F29-L66 HydrophobicContact CD1-CD1 4.13Å; F29-L66 HydrophobicContact CD1-CD2 4.2Å; F29-L66 HydrophobicContact CD2-CD2 3.32Å; F29-L66 HydrophobicContact CE1-CD2 4.39Å; F29-L66 HydrophobicContact CE2-CD2 3.57Å; F29-L66 HydrophobicContact CG-CD1 4.12Å; F29-L66 HydrophobicContact CG-CD2 3.67Å; F29-L66 HydrophobicContact CZ-CD2 4.1Å; L60-L66 HydrophobicContact CB-CB 4.42Å; L60-L66 HydrophobicContact CB-CD1 3.65Å; L60-L66 HydrophobicContact CB-CG 3.84Å; L60-L66 HydrophobicContact CD1-CD1 3.72Å; L60-L66 HydrophobicContact CD1-CG 4.4Å; L60-L66 HydrophobicContact CG-CD1 4.32Å; L60-L66 PolarHBondContact O-N 2.62Å; L61-L66 HydrophobicContact CD2-CB 3.94Å; L61-L66 WeakPolarHBondContact CD2-O 3.28Å; L61-L66 HydrophobicContact CG-CB 4.46Å; L66-I71 HydrophobicContact CD1-CD1 4.41Å; L66-C340 HydrophobicContact CD2-CB 4.08Å
67D91.9Very high94.6Very high67 Ų6759.5 Ų59.536%0.35830%0.296SS..  trans-106.3138.8158.5-175-32.7000107.8K69 C70D67-K69 PolarHBondContact O-N 3.48Å; D67-K69 VanDerWaalsContact O-N 3.15Å; D67-K69 WeakPolarHBondContact OD1-CB 3.3Å; D67-K69 WeakPolarHBondContact OD1-CG 3.08Å; D67-K69 PolarHBondContact OD1-N 3.4Å; D67-C70 WeakPolarHBondContact O-CB 3.38Å; D67-C70 PolarHBondContact O-N 3.04Å
68E90.8Very high94.7Very high146 Ų14662.8 Ų62.868%0.68232%0.316SS*.G310 helixtrans-53.2-34176.1-67.5-171.7168.500112.6L61 C70 I71L61-E68 HydrophobicContact CD1-CG 3.92Å; L61-E68 HydrophobicContact CD2-CB 4.47Å; L61-E68 HydrophobicContact CD2-CG 3.71Å; L61-E68 HydrophobicContact CG-CG 4.5Å; E68-C70 PolarHBondContact O-N 2.99Å; E68-I71 PolarHBondContact O-N 3.31Å
69K88.9Confident94.7Very high171 Ų17163.9 Ų63.974%0.74332%0.321SS*.G310 helixtrans-66.1-21.6178.5-65.1171.5-172.8162.60113.2D67D67-K69 PolarHBondContact O-N 3.48Å; D67-K69 VanDerWaalsContact O-N 3.15Å; D67-K69 WeakPolarHBondContact OD1-CB 3.3Å; D67-K69 WeakPolarHBondContact OD1-CG 3.08Å; D67-K69 PolarHBondContact OD1-N 3.4Å
70C88.1Confident94.7Very high17 Ų1766.1 Ų66.112%0.11533%0.334CS..G310 helixtrans-973.2-178.6-66.40000113.1H27 D67 E68 C340H27-C70 WeakPolarHBondContact CB-O 3.12Å; H27-C70 VanDerWaalsContact CE1-SG 3.53Å; H27-C70 VanDerWaalsContact ND1-CA 3.29Å; H27-C70 WeakPolarHBondContact ND1-CA 3.26Å; H27-C70 WeakPolarHBondContact ND1-CB 3.3Å; H27-C70 PolarHBondContact ND1-O 2.92Å; D67-C70 WeakPolarHBondContact O-CB 3.38Å; D67-C70 PolarHBondContact O-N 3.04Å; E68-C70 PolarHBondContact O-N 2.99Å; C70-C340 HydrophobicContact CB-CB 3.41Å; C70-C340 VanDerWaalsContact CB-CB 3.41Å; C70-C340 PolarHBondContact SG-OXT 2.66Å
71I93.4Very high94.7Very high23 Ų2366.5 Ų66.512%0.11834%0.336CS..EExtended strand (participates in β ladder)trans-89.2121.8175.5-61.5177.3000109.2Y31 C57 L61 L66 E68 T73Y31-I71 HydrophobicContact CD1-CG2 4.46Å; C57-I71 VanDerWaalsContact SG-CD1 3.56Å; L61-I71 HydrophobicContact CD2-CD1 4.26Å; L66-I71 HydrophobicContact CD1-CD1 4.41Å; E68-I71 PolarHBondContact O-N 3.31Å; I71-T73 PolarHBondContact O-N 3.29Å
72L93.6Very high94.8Very high17 Ų1764.7 Ų64.79%0.08933%0.327CS..EExtended strand (participates in β ladder)trans-75.4124.6173.5-66.6173.9000110I21 H24 H27 F29 V30 Y31 P74 L134 V138I21-L72 HydrophobicContact CD1-CD1 4.18Å; H24-L72 HydrophobicContact CB-CD2 4.11Å; H27-L72 HydrophobicContact CB-CD1 4.05Å; H27-L72 HydrophobicContact CB-CD2 3.95Å; H27-L72 HydrophobicContact CB-CG 3.69Å; H27-L72 WeakPolarHBondContact O-CD1 3.49Å; F29-L72 PolarHBondContact O-N 2.96Å; V30-L72 WeakPolarHBondContact CA-O 3.32Å; V30-L72 HydrophobicContact CG2-CB 4.03Å; V30-L72 HydrophobicContact CG2-CD1 4.25Å; Y31-L72 PolarHBondContact N-O 3.49Å; L72-P74 WeakPolarHBondContact O-CD 3.46Å; L72-L134 HydrophobicContact CB-CD2 4.19Å; L72-V138 HydrophobicContact CD1-CG1 4.37Å; L72-V138 HydrophobicContact CD1-CG2 3.36Å
73T93.8Very high94.9Very high92 Ų9259.2 Ų59.256%0.56430%0.302SS*.PPolyproline II helixtrans-89.1118.4176-59.60000110.1H32 I71H32-T73 VanDerWaalsContact CD2-CG2 3.46Å; H32-T73 WeakPolarHBondContact CD2-CG2 3.36Å; I71-T73 PolarHBondContact O-N 3.29Å
74P95.1Very high94.9Very high6 Ų655.6 Ų55.64%0.03929%0.287CS..PPolyproline II helixtrans-75.215817833.8-38.9000112.6V30 Y31 H32 Y35 L72 L127 L134V30-P74 HydrophobicContact CG1-CB 3.86Å; V30-P74 HydrophobicContact CG1-CG 3.99Å; Y31-P74 WeakPolarHBondContact O-CD 3.34Å; H32-P74 HydrophobicContact CB-CG 4.04Å; Y35-P74 HydrophobicContact CE1-CG 3.82Å; Y35-P74 WeakPolarHBondContact OH-CG 3.46Å; L72-P74 WeakPolarHBondContact O-CD 3.46Å; P74-L127 HydrophobicContact CG-CD1 4.19Å; P74-L127 HydrophobicContact CG-CG 4.29Å; P74-L127 WeakPolarHBondContact O-CD1 3.44Å; P74-L134 HydrophobicContact CB-CD2 4.36Å
75M96Very high95Very high105 Ų10554.9 Ų54.952%0.51728%0.275SS..PPolyproline II helixtrans-89.3150.2167.7-66.6-169-169.700111.1K16 L17 A77 G130K16-M75 HydrophobicContact CB-SD 3.96Å; L17-M75 HydrophobicContact CD2-CB 3.69Å; M75-A77 PolarHBondContact O-N 2.92Å; M75-G130 WeakPolarHBondContact O-CA 3.49Å
76E97.3Very high95.1Very high81 Ų8153.2 Ų53.238%0.37927%0.269SS..PPolyproline II helixtrans-69.4126.5173.2-173.6179.1158.200109.9T78 S123 R126 L127E76-T78 PolarHBondContact O-N 3.41Å; E76-S123 WeakPolarHBondContact OE1-CA 3.28Å; E76-S123 VanDerWaalsContact OE1-CB 3.29Å; E76-S123 WeakPolarHBondContact OE1-CB 3.42Å; E76-R126 HydrophobicContact CG-CB 3.62Å; E76-R126 IonicContact OE1-CZ 3.94Å; E76-R126 IonicContact OE1-NE 3.76Å; E76-R126 PolarHBondContact OE1-NE 3.29Å; E76-R126 IonicContact OE1-NH2 3.88Å; E76-R126 PolarHBondContact OE1-NH2 2.93Å; E76-L127 HydrophobicContact CB-CD1 4.09Å
77A98.2Very high95.3Very high1 Ų155.9 Ų55.91%0.00829%0.285CS..PPolyproline II helixtrans-58.2124.4174.800000111L17 M75 D81 L82 R126 T129L17-A77 HydrophobicContact CD1-CB 3.79Å; M75-A77 PolarHBondContact O-N 2.92Å; A77-D81 HydrophobicContact CB-CB 4.38Å; A77-L82 HydrophobicContact CB-CD2 4.12Å; A77-L82 HydrophobicContact CB-CG 4.35Å; A77-R126 HydrophobicContact CB-CB 4.21Å; A77-R126 WeakPolarHBondContact CB-O 3.32Å; A77-R126 PolarHBondContact N-O 3.22Å; A77-R126 VanDerWaalsContact O-CD 3.31Å; A77-R126 WeakPolarHBondContact O-CD 3.25Å; A77-T129 HydrophobicContact CB-CG2 4.2Å
78T97.7Very high95.6Very high73 Ų7359.8 Ų59.845%0.44830%0.299SS..PPolyproline II helixtrans-78.8169.1177.271.80000110.8E76 D80 D81 L82E76-T78 PolarHBondContact O-N 3.41Å; T78-D80 PolarHBondContact O-N 2.93Å; T78-D80 PolarHBondContact OG1-N 3.42Å; T78-D81 WeakPolarHBondContact CA-OD2 3.34Å; T78-D81 VanDerWaalsContact CB-OD2 3.26Å; T78-D81 WeakPolarHBondContact CB-OD2 3.46Å; T78-D81 WeakPolarHBondContact CG2-OD2 3.37Å; T78-D81 PolarHBondContact N-OD2 2.92Å; T78-D81 PolarHBondContact O-N 3.47Å; T78-D81 PolarHBondContact OG1-N 3.21Å; T78-D81 PolarHBondContact OG1-OD2 3.05Å; T78-L82 VanDerWaalsContact O-CG 3.32Å; T78-L82 WeakPolarHBondContact O-CG 3.18Å; T78-L82 PolarHBondContact O-N 2.96Å
79K97Very high95.9Very high145 Ų14555.3 Ų55.363%0.6329%0.292SS*.Hα-helixtrans-57.7-37.7172.9-175-176.9176.2-169.90112L82 L83 L91K79-L82 PolarHBondContact O-N 3.48Å; K79-L83 HydrophobicContact CG-CD1 4.19Å; K79-L83 HydrophobicContact CG-CG 4.5Å; K79-L83 WeakPolarHBondContact O-CB 3.14Å; K79-L83 WeakPolarHBondContact O-CG 3.25Å; K79-L83 PolarHBondContact O-N 3.41Å; K79-L91 HydrophobicContact CG-CD1 4.47Å
80D97.1Very high96.4Very high88 Ų8847.6 Ų47.647%0.47126%0.258SS..Hα-helixtrans-71.3-36.8179.2-78.5-47.3000111.9R11 T78 L82 L83 V84R11-D80 WeakPolarHBondContact CD-O 3.22Å; R11-D80 HydrophobicContact CG-CB 4.23Å; R11-D80 IonicContact NE-OD1 2.88Å; R11-D80 PolarHBondContact NE-OD1 3.03Å; T78-D80 PolarHBondContact O-N 2.93Å; T78-D80 PolarHBondContact OG1-N 3.42Å; D80-L82 VanDerWaalsContact C-N 3.34Å; D80-L82 PolarHBondContact O-N 2.91Å; D80-L83 PolarHBondContact O-N 3.48Å; D80-V84 PolarHBondContact O-N 3.34Å
81D97.7Very high96.8Very high8 Ų847.8 Ų47.84%0.04326%0.258CS..Hα-helixtrans-60.1-46.9172.2-57.2-50.7000111S15 L17 A77 T78 L83 V84 L171 F175S15-D81 WeakPolarHBondContact CB-OD1 3.36Å; S15-D81 PolarHBondContact OG-OD1 3.06Å; L17-D81 HydrophobicContact CD1-CB 3.54Å; L17-D81 VanDerWaalsContact CD1-CG 3.46Å; L17-D81 HydrophobicContact CG-CB 4.39Å; A77-D81 HydrophobicContact CB-CB 4.38Å; T78-D81 WeakPolarHBondContact CA-OD2 3.34Å; T78-D81 VanDerWaalsContact CB-OD2 3.26Å; T78-D81 WeakPolarHBondContact CB-OD2 3.46Å; T78-D81 WeakPolarHBondContact CG2-OD2 3.37Å; T78-D81 PolarHBondContact N-OD2 2.92Å; T78-D81 PolarHBondContact O-N 3.47Å; T78-D81 PolarHBondContact OG1-N 3.21Å; T78-D81 PolarHBondContact OG1-OD2 3.05Å; D81-L83 VanDerWaalsContact C-N 3.28Å; D81-L83 PolarHBondContact O-N 2.94Å; D81-V84 VanDerWaalsContact O-CB 3.3Å; D81-V84 WeakPolarHBondContact O-CB 3.43Å; D81-V84 VanDerWaalsContact O-CG2 3.3Å; D81-V84 WeakPolarHBondContact O-CG2 3.41Å; D81-V84 PolarHBondContact O-N 3.38Å; D81-V84 VanDerWaalsContact O-N 3.13Å; D81-L171 WeakPolarHBondContact O-CD2 3.27Å; D81-F175 HydrophobicContact CB-CZ 4.36Å
82L98.3Very high97Very high5 Ų553.2 Ų53.23%0.02628%0.278CS..Hα-helixtrans-62.6-35.3178.2-65.3174.5000112.1A77 T78 K79 D80 V84 V85 H86 L91 R126 T129 Y166 L171A77-L82 HydrophobicContact CB-CD2 4.12Å; A77-L82 HydrophobicContact CB-CG 4.35Å; T78-L82 VanDerWaalsContact O-CG 3.32Å; T78-L82 WeakPolarHBondContact O-CG 3.18Å; T78-L82 PolarHBondContact O-N 2.96Å; K79-L82 PolarHBondContact O-N 3.48Å; D80-L82 VanDerWaalsContact C-N 3.34Å; D80-L82 PolarHBondContact O-N 2.91Å; L82-V84 PolarHBondContact O-N 2.83Å; L82-V85 PolarHBondContact O-N 3.46Å; L82-H86 VanDerWaalsContact O-CB 3.32Å; L82-H86 WeakPolarHBondContact O-CB 3.37Å; L82-H86 PolarHBondContact O-N 3.36Å; L82-L91 HydrophobicContact CB-CD1 3.77Å; L82-L91 HydrophobicContact CB-CD2 4.13Å; L82-L91 HydrophobicContact CD1-CD2 4.11Å; L82-R126 HydrophobicContact CD1-CG 4.13Å; L82-T129 HydrophobicContact CD2-CG2 4.34Å; L82-Y166 HydrophobicContact CD1-CD1 3.85Å; L82-Y166 HydrophobicContact CD1-CE1 3.52Å; L82-Y166 HydrophobicContact CD2-CD1 3.67Å; L82-Y166 HydrophobicContact CD2-CE1 4.24Å; L82-Y166 HydrophobicContact CD2-CG 4.09Å; L82-Y166 HydrophobicContact CG-CD1 4.38Å; L82-L171 HydrophobicContact CD2-CD1 3.75Å
83L97.7Very high97.1Very high20 Ų2054 Ų5411%0.10529%0.285CS..THydrogen-bonded Turntrans-70.5-1.1177.8-77.3172.5000114.3K79 D80 D81 V85 K88 L91K79-L83 HydrophobicContact CG-CD1 4.19Å; K79-L83 HydrophobicContact CG-CG 4.5Å; K79-L83 WeakPolarHBondContact O-CB 3.14Å; K79-L83 WeakPolarHBondContact O-CG 3.25Å; K79-L83 PolarHBondContact O-N 3.41Å; D80-L83 PolarHBondContact O-N 3.48Å; D81-L83 VanDerWaalsContact C-N 3.28Å; D81-L83 PolarHBondContact O-N 2.94Å; L83-V85 VanDerWaalsContact C-N 3.3Å; L83-K88 HydrophobicContact CD2-CB 4.36Å; L83-K88 HydrophobicContact CD2-CG 3.53Å; L83-L91 HydrophobicContact CD2-CD1 3.71Å; L83-L91 HydrophobicContact CG-CD1 3.77Å
84V96.9Very high97.2Very high16 Ų1650 Ų5010%0.09726%0.26CS..THydrogen-bonded Turntrans-66.5-36.7168.2175.50000110.5R11 C12 D80 D81 L82 L171 F175 I178R11-V84 HydrophobicContact CB-CG2 3.87Å; C12-V84 HydrophobicContact CB-CG1 4.5Å; C12-V84 HydrophobicContact CB-CG2 4.21Å; D80-V84 PolarHBondContact O-N 3.34Å; D81-V84 VanDerWaalsContact O-CB 3.3Å; D81-V84 WeakPolarHBondContact O-CB 3.43Å; D81-V84 VanDerWaalsContact O-CG2 3.3Å; D81-V84 WeakPolarHBondContact O-CG2 3.41Å; D81-V84 PolarHBondContact O-N 3.38Å; D81-V84 VanDerWaalsContact O-N 3.13Å; L82-V84 PolarHBondContact O-N 2.83Å; V84-L171 HydrophobicContact CB-CD2 4.18Å; V84-F175 HydrophobicContact CB-CE2 4.13Å; V84-F175 HydrophobicContact CG1-CD2 4.48Å; V84-F175 HydrophobicContact CG1-CE2 4.28Å; V84-F175 HydrophobicContact CG2-CE2 3.94Å; V84-F175 HydrophobicContact CG2-CZ 3.9Å; V84-I178 HydrophobicContact CG1-CD1 3.71Å
85V96.9Very high97.2Very high24 Ų2456 Ų5615%0.14529%0.285CS..THydrogen-bonded Turntrans-117.9-48.1-179.8169.80000111.5L82 L83 A157 T170 L171 K174L82-V85 PolarHBondContact O-N 3.46Å; L83-V85 VanDerWaalsContact C-N 3.3Å; V85-A157 HydrophobicContact CG1-CB 3.65Å; V85-A157 WeakPolarHBondContact O-CB 3.12Å; V85-T170 HydrophobicContact CB-CG2 4.47Å; V85-T170 HydrophobicContact CG1-CG2 3.55Å; V85-T170 HydrophobicContact CG2-CG2 4.05Å; V85-L171 HydrophobicContact CB-CD2 3.64Å; V85-L171 HydrophobicContact CB-CG 3.91Å; V85-L171 HydrophobicContact CG2-CD2 3.66Å; V85-L171 HydrophobicContact CG2-CG 3.99Å; V85-K174 HydrophobicContact CG2-CB 3.78Å; V85-K174 HydrophobicContact CG2-CG 3.68Å
86H98.2Very high97Very high4 Ų458.1 Ų58.12%0.01929%0.288CS..SBendtrans-71.4140.5-172.6-70.9-66000113.1L82 Y90 L91 S156 A157 A167L82-H86 VanDerWaalsContact O-CB 3.32Å; L82-H86 WeakPolarHBondContact O-CB 3.37Å; L82-H86 PolarHBondContact O-N 3.36Å; H86-Y90 HydrophobicContact CB-CD1 4.15Å; H86-Y90 AromaticContact CE1-CE1 3.76Å; H86-Y90 AromaticContact CG-CD1 3.94Å; H86-Y90 AromaticContact ND1-CD1 3.44Å; H86-Y90 WeakPolarHBondContact ND1-CD1 3.36Å; H86-Y90 AromaticContact ND1-CE1 3.5Å; H86-Y90 WeakPolarHBondContact ND1-CE1 3.44Å; H86-L91 HydrophobicContact CB-CD1 4.04Å; H86-L91 HydrophobicContact CB-CD2 3.74Å; H86-L91 HydrophobicContact CB-CG 3.72Å; H86-S156 PolarHBondContact CE1-O 2.96Å; H86-S156 PolarHBondContact ND1-O 3.36Å; H86-A157 WeakPolarHBondContact CA-O 3.43Å; H86-A157 PolarHBondContact ND1-O 2.92Å; H86-A167 PolarHBondContact CE1-N 2.79Å; H86-A167 PolarHBondContact NE2-N 2.82Å
87T97.5Very high96.8Very high64 Ų6455.4 Ų55.439%0.39328%0.278SS..  trans-67.9146.6173.572.50000110.9G89 Y90 L91 A157T87-G89 PolarHBondContact O-N 2.89Å; T87-Y90 PolarHBondContact O-N 2.86Å; T87-Y90 VanDerWaalsContact OG1-CB 3.23Å; T87-Y90 WeakPolarHBondContact OG1-CB 3.34Å; T87-Y90 PolarHBondContact OG1-N 2.96Å; T87-L91 PolarHBondContact O-N 2.87Å; T87-A157 PolarHBondContact N-O 3.17Å
88K97.2Very high96.5Very high149 Ų14960.3 Ų60.365%0.64830%0.303SS*.Hα-helixtrans-56.2-38.6173.1-71.1179.6-179.7178.80112L83 Y92L83-K88 HydrophobicContact CD2-CB 4.36Å; L83-K88 HydrophobicContact CD2-CG 3.53Å; K88-Y92 VanDerWaalsContact O-CB 3.27Å; K88-Y92 WeakPolarHBondContact O-CB 3.24Å; K88-Y92 PolarHBondContact O-N 2.85Å
89G97.8Very high96.3Very high52 Ų5258.7 Ų58.754%0.53629%0.293SS..Hα-helixtrans-63-45.917900000112T87 Y92 S93T87-G89 PolarHBondContact O-N 2.89Å; G89-Y92 PolarHBondContact O-N 2.87Å; G89-S93 PolarHBondContact O-N 3.08Å
90Y98.2Very high96.2Very high10 Ų1051.8 Ų51.84%0.03926%0.263CS..Hα-helixtrans-62.7-50.8175.3175.1-111000112.3H86 T87 Y92 S93 L94 I103 C155 S158 G160 P165H86-Y90 HydrophobicContact CB-CD1 4.15Å; H86-Y90 AromaticContact CE1-CE1 3.76Å; H86-Y90 AromaticContact CG-CD1 3.94Å; H86-Y90 AromaticContact ND1-CD1 3.44Å; H86-Y90 WeakPolarHBondContact ND1-CD1 3.36Å; H86-Y90 AromaticContact ND1-CE1 3.5Å; H86-Y90 WeakPolarHBondContact ND1-CE1 3.44Å; T87-Y90 PolarHBondContact O-N 2.86Å; T87-Y90 VanDerWaalsContact OG1-CB 3.23Å; T87-Y90 WeakPolarHBondContact OG1-CB 3.34Å; T87-Y90 PolarHBondContact OG1-N 2.96Å; Y90-Y92 PolarHBondContact O-N 2.6Å; Y90-S93 WeakPolarHBondContact O-CB 3.35Å; Y90-S93 PolarHBondContact O-N 2.89Å; Y90-S93 PolarHBondContact O-OG 3.2Å; Y90-L94 HydrophobicContact CE1-CD1 4.19Å; Y90-L94 HydrophobicContact CE2-CD2 4.13Å; Y90-L94 PolarHBondContact O-N 2.9Å; Y90-I103 HydrophobicContact CE2-CD1 4.21Å; Y90-C155 PolarHBondContact OH-SG 3.07Å; Y90-S158 VanDerWaalsContact CD2-O 3.27Å; Y90-S158 WeakPolarHBondContact CD2-O 3.44Å; Y90-G160 WeakPolarHBondContact OH-CA 3.26Å; Y90-G160 PolarHBondContact OH-N 3Å; Y90-P165 PolarHBondContact OH-O 3.45Å
91L97.8Very high96Very high21 Ų2148.7 Ų48.711%0.1125%0.247CC..Hα-helixtrans-62.2-30.1178.6-65.2-176.6000112.7K79 L82 L83 H86 T87 L94 Y166K79-L91 HydrophobicContact CG-CD1 4.47Å; L82-L91 HydrophobicContact CB-CD1 3.77Å; L82-L91 HydrophobicContact CB-CD2 4.13Å; L82-L91 HydrophobicContact CD1-CD2 4.11Å; L83-L91 HydrophobicContact CD2-CD1 3.71Å; L83-L91 HydrophobicContact CG-CD1 3.77Å; H86-L91 HydrophobicContact CB-CD1 4.04Å; H86-L91 HydrophobicContact CB-CD2 3.74Å; H86-L91 HydrophobicContact CB-CG 3.72Å; T87-L91 PolarHBondContact O-N 2.87Å; L91-L94 HydrophobicContact CD2-CD1 4.23Å; L91-Y166 HydrophobicContact CD2-CD1 4.5Å; L91-Y166 HydrophobicContact CD2-CE1 4.16Å
92Y96.9Very high95.9Very high137 Ų13752.3 Ų52.354%0.53727%0.273SS..Hα-helixtrans-71.5-35.1172.6-172.9-97.6000112.1K88 G89 Y90 L94 K95K88-Y92 VanDerWaalsContact O-CB 3.27Å; K88-Y92 WeakPolarHBondContact O-CB 3.24Å; K88-Y92 PolarHBondContact O-N 2.85Å; G89-Y92 PolarHBondContact O-N 2.87Å; Y90-Y92 PolarHBondContact O-N 2.6Å; Y92-L94 VanDerWaalsContact C-N 3.26Å; Y92-L94 PolarHBondContact O-N 2.99Å; Y92-K95 HydrophobicContact CD2-CD 4.12Å; Y92-K95 HydrophobicContact CE2-CD 4.12Å; Y92-K95 WeakPolarHBondContact O-CB 3.34Å; Y92-K95 WeakPolarHBondContact O-CG 3.36Å; Y92-K95 PolarHBondContact O-N 3.22Å
93S96.7Very high95.8Very high32 Ų3252.4 Ų52.422%0.22427%0.273CS..Hα-helixtrans-65.6-29.2179.681.90000112.7G89 Y90 K95 W96G89-S93 PolarHBondContact O-N 3.08Å; Y90-S93 WeakPolarHBondContact O-CB 3.35Å; Y90-S93 PolarHBondContact O-N 2.89Å; Y90-S93 PolarHBondContact O-OG 3.2Å; S93-K95 PolarHBondContact O-N 2.89Å; S93-W96 PolarHBondContact O-N 3.36Å
94L96Very high95.6Very high10 Ų1052 Ų525%0.05227%0.271CS..THydrogen-bonded Turntrans-62-6.8174.3-61.9-178.5000114.4Y90 L91 Y92 W96 V99 L100 I103 L122 Y166Y90-L94 HydrophobicContact CE1-CD1 4.19Å; Y90-L94 HydrophobicContact CE2-CD2 4.13Å; Y90-L94 PolarHBondContact O-N 2.9Å; L91-L94 HydrophobicContact CD2-CD1 4.23Å; Y92-L94 VanDerWaalsContact C-N 3.26Å; Y92-L94 PolarHBondContact O-N 2.99Å; L94-W96 VanDerWaalsContact C-N 3.32Å; L94-V99 HydrophobicContact CD2-CG1 4.37Å; L94-L100 HydrophobicContact CB-CD2 4.29Å; L94-L100 HydrophobicContact CD2-CD2 4.01Å; L94-L100 WeakPolarHBondContact O-CD1 3.44Å; L94-I103 HydrophobicContact CD2-CD1 3.53Å; L94-L122 HydrophobicContact CB-CD1 4.45Å; L94-Y166 HydrophobicContact CD1-CD1 4.42Å; L94-Y166 HydrophobicContact CD1-CE1 3.54Å
95K93.8Very high95.4Very high130 Ų13055.9 Ų55.957%0.56529%0.288SS*.THydrogen-bonded Turntrans-79.7-13.3171.2-63.9-177.4176.4-174.50113.5Y92 S93 A114Y92-K95 HydrophobicContact CD2-CD 4.12Å; Y92-K95 HydrophobicContact CE2-CD 4.12Å; Y92-K95 WeakPolarHBondContact O-CB 3.34Å; Y92-K95 WeakPolarHBondContact O-CG 3.36Å; Y92-K95 PolarHBondContact O-N 3.22Å; S93-K95 PolarHBondContact O-N 2.89Å; K95-A114 WeakPolarHBondContact O-CB 3.37Å
96W93.3Very high95Very high151 Ų15155.7 Ų55.757%0.57229%0.287SS*.SBendtrans-96.2122.6-178.9-61.298.4000110.3S93 L94 I98 V99 L100S93-W96 PolarHBondContact O-N 3.36Å; L94-W96 VanDerWaalsContact C-N 3.32Å; W96-I98 HydrophobicContact CB-CG2 4.24Å; W96-I98 PolarHBondContact O-N 2.68Å; W96-I98 VanDerWaalsContact O-N 3.15Å; W96-V99 HydrophobicContact CB-CB 4.48Å; W96-V99 HydrophobicContact CB-CG2 4.07Å; W96-V99 WeakPolarHBondContact O-CB 3.44Å; W96-V99 PolarHBondContact O-N 2.95Å; W96-L100 PolarHBondContact O-N 2.91Å
97S91.3Very high94.6Very high24 Ų2459.8 Ų59.817%0.16831%0.314CS..Hα-helixtrans-57.4-32.4-179.1-59.60000112.6V99 L100 V101 F112S97-V99 VanDerWaalsContact C-N 3.34Å; S97-V99 PolarHBondContact O-N 2.83Å; S97-L100 PolarHBondContact O-N 3.23Å; S97-V101 VanDerWaalsContact O-CG2 3.25Å; S97-V101 WeakPolarHBondContact O-CG2 3.45Å; S97-V101 PolarHBondContact O-N 2.91Å; S97-F112 PolarHBondContact OG-O 3.46Å
98I92.4Very high94.2Very high104 Ų10460.2 Ų60.253%0.53331%0.314SS..Hα-helixtrans-63.3-38.5177-168.361.5000112.7W96 V101 S102W96-I98 HydrophobicContact CB-CG2 4.24Å; W96-I98 PolarHBondContact O-N 2.68Å; W96-I98 VanDerWaalsContact O-N 3.15Å; I98-V101 PolarHBondContact O-N 2.96Å; I98-S102 PolarHBondContact O-N 3.37Å; I98-S102 VanDerWaalsContact O-N 3.1Å; I98-S102 PolarHBondContact O-OG 3.17Å
99V94.7Very high93.7Very high39 Ų3953.4 Ų53.424%0.23628%0.284CS..Hα-helixtrans-67.3-41.6175.5176.10000109.8L94 W96 S97 S102 I103L94-V99 HydrophobicContact CD2-CG1 4.37Å; W96-V99 HydrophobicContact CB-CB 4.48Å; W96-V99 HydrophobicContact CB-CG2 4.07Å; W96-V99 WeakPolarHBondContact O-CB 3.44Å; W96-V99 PolarHBondContact O-N 2.95Å; S97-V99 VanDerWaalsContact C-N 3.34Å; S97-V99 PolarHBondContact O-N 2.83Å; V99-S102 PolarHBondContact O-N 3.38Å; V99-I103 HydrophobicContact CG1-CD1 3.78Å; V99-I103 HydrophobicContact CG1-CG1 4.46Å; V99-I103 WeakPolarHBondContact O-CG1 2.93Å; V99-I103 PolarHBondContact O-N 3.08Å
100L94.4Very high93.3Very high0 Ų055.1 Ų55.10%028%0.281CS..Hα-helixtrans-65.2-38.7177.2-62179.8000112.3L94 W96 S97 S102 I103 L104 I117 L122L94-L100 HydrophobicContact CB-CD2 4.29Å; L94-L100 HydrophobicContact CD2-CD2 4.01Å; L94-L100 WeakPolarHBondContact O-CD1 3.44Å; W96-L100 PolarHBondContact O-N 2.91Å; S97-L100 PolarHBondContact O-N 3.23Å; L100-S102 VanDerWaalsContact C-N 3.34Å; L100-I103 PolarHBondContact O-N 3.36Å; L100-L104 HydrophobicContact CB-CD1 4.43Å; L100-L104 WeakPolarHBondContact O-CB 3.28Å; L100-L104 VanDerWaalsContact O-CG 3.26Å; L100-L104 WeakPolarHBondContact O-CG 3.42Å; L100-L104 PolarHBondContact O-N 3.03Å; L100-I117 HydrophobicContact CD1-CB 4.02Å; L100-I117 HydrophobicContact CD1-CD1 4.02Å; L100-I117 HydrophobicContact CD1-CG2 3.77Å; L100-L122 HydrophobicContact CD1-CD1 4.3Å; L100-L122 HydrophobicContact CD2-CD1 3.68Å; L100-L122 HydrophobicContact CD2-CD2 4.01Å; L100-L122 HydrophobicContact CD2-CG 4.28Å
101V93.2Very high92.9Very high23 Ų2362.4 Ų62.414%0.13931%0.313CS..Hα-helixtrans-59.4-46.3173168.20000110.4S97 I98 E105 V109 L110S97-V101 VanDerWaalsContact O-CG2 3.25Å; S97-V101 WeakPolarHBondContact O-CG2 3.45Å; S97-V101 PolarHBondContact O-N 2.91Å; I98-V101 PolarHBondContact O-N 2.96Å; V101-E105 WeakPolarHBondContact O-CA 3.38Å; V101-E105 PolarHBondContact O-N 2.97Å; V101-V109 HydrophobicContact CB-CG2 4.4Å; V101-V109 HydrophobicContact CG2-CG2 3.55Å; V101-L110 HydrophobicContact CG2-CB 3.84Å; V101-L110 HydrophobicContact CG2-CD1 4.37Å
102S94.6Very high92.6Very high84 Ų8463.8 Ų63.859%0.58732%0.318SS*.Hα-helixtrans-67-35.3179.8-59.90000113.5I98 V99 L100I98-S102 PolarHBondContact O-N 3.37Å; I98-S102 VanDerWaalsContact O-N 3.1Å; I98-S102 PolarHBondContact O-OG 3.17Å; V99-S102 PolarHBondContact O-N 3.38Å; L100-S102 VanDerWaalsContact C-N 3.34Å
103I95.7Very high92.3Very high6 Ų660.9 Ų60.93%0.03132%0.316CS..Hα-helixtrans-77.2-45179.9-66.7170.6000111.2Y90 L94 V99 L100 F163 P165Y90-I103 HydrophobicContact CE2-CD1 4.21Å; L94-I103 HydrophobicContact CD2-CD1 3.53Å; V99-I103 HydrophobicContact CG1-CD1 3.78Å; V99-I103 HydrophobicContact CG1-CG1 4.46Å; V99-I103 WeakPolarHBondContact O-CG1 2.93Å; V99-I103 PolarHBondContact O-N 3.08Å; L100-I103 PolarHBondContact O-N 3.36Å; I103-F163 VanDerWaalsContact O-CA 3.28Å; I103-F163 WeakPolarHBondContact O-CA 3.28Å; I103-F163 PolarHBondContact O-N 3.22Å; I103-P165 HydrophobicContact CG2-CB 3.97Å
104L93.5Very high91.9Very high12 Ų1260.4 Ų60.46%0.06331%0.314CS..Hα-helixtrans-84.4-14.9-175.5-60.6173.3000112.8H46 L100 V106 I117 V121 F125H46-L104 PolarHBondContact NE2-O 3.04Å; H46-L104 VanDerWaalsContact NE2-O 3.09Å; L100-L104 HydrophobicContact CB-CD1 4.43Å; L100-L104 WeakPolarHBondContact O-CB 3.28Å; L100-L104 VanDerWaalsContact O-CG 3.26Å; L100-L104 WeakPolarHBondContact O-CG 3.42Å; L100-L104 PolarHBondContact O-N 3.03Å; L104-V106 WeakPolarHBondContact O-CG2 3.38Å; L104-V106 PolarHBondContact O-N 3.49Å; L104-V106 VanDerWaalsContact O-N 3.11Å; L104-I117 HydrophobicContact CD1-CG2 4.26Å; L104-V121 HydrophobicContact CD1-CG1 3.9Å; L104-V121 HydrophobicContact CD2-CG1 4.12Å; L104-F125 HydrophobicContact CD2-CE2 3.84Å; L104-F125 HydrophobicContact CD2-CZ 4.18Å
105E92.9Very high91.7Very high97 Ų9764.1 Ų64.145%0.45334%0.34SS..  trans4933.6-173.6-39-171.5165.200114.4V101 P107 F163V101-E105 WeakPolarHBondContact O-CA 3.38Å; V101-E105 PolarHBondContact O-N 2.97Å; E105-P107 WeakPolarHBondContact O-CD 3.39Å; E105-F163 HydrophobicContact CB-CD1 4.39Å; E105-F163 HydrophobicContact CB-CE1 3.82Å; E105-F163 HydrophobicContact CG-CD1 4.14Å; E105-F163 HydrophobicContact CG-CE1 3.73Å; E105-F163 WeakPolarHBondContact OE2-CE1 3.47Å
106V90Very high91.6Very high20 Ų2059.9 Ų59.912%0.12132%0.324CS..  trans-112.592.3172.4-177.70000108.3I42 H46 L104 L108 V109I42-V106 HydrophobicContact CG2-CG1 3.62Å; H46-V106 HydrophobicContact CB-CG2 4.02Å; H46-V106 WeakPolarHBondContact CD2-CG2 3.28Å; L104-V106 WeakPolarHBondContact O-CG2 3.38Å; L104-V106 PolarHBondContact O-N 3.49Å; L104-V106 VanDerWaalsContact O-N 3.11Å; V106-L108 HydrophobicContact CG1-CB 4.16Å; V106-L108 PolarHBondContact O-N 3.13Å; V106-V109 HydrophobicContact CB-CG1 3.84Å; V106-V109 HydrophobicContact CG1-CG1 3.72Å; V106-V109 WeakPolarHBondContact O-CG2 3.36Å; V106-V109 PolarHBondContact O-N 3.47Å
107P89.4Confident91.6Very high91 Ų9152.7 Ų52.759%0.59130%0.296SS*.G310 helixtrans-52.9-33.2-179.8-28.835.5000113.8E105 V109 L110E105-P107 WeakPolarHBondContact O-CD 3.39Å; P107-V109 PolarHBondContact O-N 2.86Å; P107-V109 VanDerWaalsContact O-N 3.16Å; P107-L110 WeakPolarHBondContact O-CB 3.43Å; P107-L110 PolarHBondContact O-N 3.36Å; P107-L110 VanDerWaalsContact O-N 3.08Å
108L88.3Confident91.8Very high73 Ų7354.4 Ų54.438%0.38230%0.303SS..G310 helixtrans-61.5-22.2179.9-65.3176.8000114I42 C45 V106 L110 F111 F112I42-L108 HydrophobicContact CD1-CB 4.5Å; I42-L108 HydrophobicContact CG2-CB 3.75Å; I42-L108 HydrophobicContact CG2-CD1 3.95Å; I42-L108 HydrophobicContact CG2-CG 4.5Å; C45-L108 HydrophobicContact CB-CD1 4.45Å; V106-L108 HydrophobicContact CG1-CB 4.16Å; V106-L108 PolarHBondContact O-N 3.13Å; L108-L110 PolarHBondContact O-N 2.97Å; L108-F111 HydrophobicContact CD2-CE2 4.38Å; L108-F111 PolarHBondContact O-N 2.84Å; L108-F112 WeakPolarHBondContact O-CD2 3.07Å
109V86.7Confident91.8Very high5 Ų558.1 Ų58.13%0.0331%0.311CS..G310 helixtrans-68-17.7176.7-54.70000112.3F39 V101 V106 P107 F111 F112 I117F39-V109 HydrophobicContact CE1-CG1 4.47Å; V101-V109 HydrophobicContact CB-CG2 4.4Å; V101-V109 HydrophobicContact CG2-CG2 3.55Å; V106-V109 HydrophobicContact CB-CG1 3.84Å; V106-V109 HydrophobicContact CG1-CG1 3.72Å; V106-V109 WeakPolarHBondContact O-CG2 3.36Å; V106-V109 PolarHBondContact O-N 3.47Å; P107-V109 PolarHBondContact O-N 2.86Å; P107-V109 VanDerWaalsContact O-N 3.16Å; V109-F111 PolarHBondContact O-N 3.41Å; V109-F112 PolarHBondContact O-N 3.13Å; V109-F112 VanDerWaalsContact O-N 3.07Å; V109-I117 HydrophobicContact CB-CD1 4.02Å; V109-I117 HydrophobicContact CB-CG1 4.46Å; V109-I117 HydrophobicContact CG2-CD1 4.31Å; V109-I117 WeakPolarHBondContact O-CD1 3.46Å
110L90.5Very high91.7Very high89 Ų8960 Ų6047%0.46632%0.316SS..G310 helixtrans-55.4-33.9176.4-174.762.7000112.6V101 P107 L108 F112V101-L110 HydrophobicContact CG2-CB 3.84Å; V101-L110 HydrophobicContact CG2-CD1 4.37Å; P107-L110 WeakPolarHBondContact O-CB 3.43Å; P107-L110 PolarHBondContact O-N 3.36Å; P107-L110 VanDerWaalsContact O-N 3.08Å; L108-L110 PolarHBondContact O-N 2.97Å; L110-F112 PolarHBondContact O-N 3.42Å
111F90Very high91.7Very high162 Ų16260.5 Ų60.571%0.71132%0.319SS*.G310 helixtrans-77.8-0.3-177.4-59.9-70.6000113.9L108 V109L108-F111 HydrophobicContact CD2-CE2 4.38Å; L108-F111 PolarHBondContact O-N 2.84Å; V109-F111 PolarHBondContact O-N 3.41Å
112F90Very high91.9Very high50 Ų5059.4 Ų59.422%0.21931%0.312CS..SBendtrans-111.5145.1-178.9-64.6-94.1000111.6F39 Y40 I42 S97 L108 V109 L110 A114 L116 I117F39-F112 HydrophobicContact CE1-CB 4.23Å; F39-F112 AromaticContact CE1-CD1 3.89Å; F39-F112 HydrophobicContact CE1-CD1 3.89Å; F39-F112 AromaticContact CE1-CD2 3.54Å; F39-F112 HydrophobicContact CE1-CD2 3.54Å; F39-F112 HydrophobicContact CE1-CE1 4.1Å; F39-F112 AromaticContact CE1-CE2 3.79Å; F39-F112 HydrophobicContact CE1-CE2 3.79Å; F39-F112 AromaticContact CE1-CG 3.59Å; F39-F112 HydrophobicContact CE1-CG 3.59Å; F39-F112 HydrophobicContact CE1-CZ 4.06Å; F39-F112 HydrophobicContact CZ-CB 3.82Å; F39-F112 AromaticContact CZ-CD1 3.67Å; F39-F112 HydrophobicContact CZ-CD1 3.67Å; F39-F112 AromaticContact CZ-CD2 3.99Å; F39-F112 HydrophobicContact CZ-CD2 3.99Å; F39-F112 HydrophobicContact CZ-CE1 4.22Å; F39-F112 AromaticContact CZ-CG 3.52Å; F39-F112 HydrophobicContact CZ-CG 3.52Å; Y40-F112 HydrophobicContact CD2-CD1 4.48Å; Y40-F112 AromaticContact CD2-CE1 3.72Å; Y40-F112 HydrophobicContact CD2-CE1 3.72Å; Y40-F112 HydrophobicContact CD2-CZ 4.22Å; Y40-F112 HydrophobicContact CE2-CD1 4.27Å; Y40-F112 AromaticContact CE2-CE1 3.86Å; Y40-F112 HydrophobicContact CE2-CE1 3.86Å; I42-F112 HydrophobicContact CD1-CD2 4.27Å; I42-F112 HydrophobicContact CD1-CE2 3.2Å; I42-F112 HydrophobicContact CD1-CZ 3.36Å; S97-F112 PolarHBondContact OG-O 3.46Å; L108-F112 WeakPolarHBondContact O-CD2 3.07Å; V109-F112 PolarHBondContact O-N 3.13Å; V109-F112 VanDerWaalsContact O-N 3.07Å; L110-F112 PolarHBondContact O-N 3.42Å; F112-A114 PolarHBondContact O-N 3.2Å; F112-L116 HydrophobicContact CD1-CD2 3.83Å; F112-I117 HydrophobicContact CB-CD1 4.39Å; F112-I117 HydrophobicContact CB-CG1 4.05Å
113P90.3Very high92Very high77 Ų7756.1 Ų56.150%0.529%0.289SS..  trans-58.9137.4173.1-23.733.4000111.6C115 L116 I117P113-C115 PolarHBondContact O-N 3.37Å; P113-C115 VanDerWaalsContact O-N 3.1Å; P113-L116 HydrophobicContact CB-CB 4.49Å; P113-L116 WeakPolarHBondContact O-CA 3.36Å; P113-L116 WeakPolarHBondContact O-CB 3.33Å; P113-L116 PolarHBondContact O-N 2.67Å; P113-I117 PolarHBondContact O-N 2.78Å
114A89.2Confident92.1Very high22 Ų2257.6 Ų57.618%0.18229%0.294CS..Hα-helixtrans-56.3-31.5179.800000113.5K95 F112 L116 I117 N118K95-A114 WeakPolarHBondContact O-CB 3.37Å; F112-A114 PolarHBondContact O-N 3.2Å; A114-L116 VanDerWaalsContact C-N 3.29Å; A114-L116 PolarHBondContact O-N 3.09Å; A114-I117 PolarHBondContact O-N 2.79Å; A114-N118 VanDerWaalsContact O-CB 3.22Å; A114-N118 WeakPolarHBondContact O-CB 3.29Å; A114-N118 PolarHBondContact O-N 3.2Å
115C91.7Very high92.3Very high88 Ų8857.7 Ų57.760%0.59529%0.294SS*.Hα-helixtrans-64.1-3417565.90000112.6P113 R119P113-C115 PolarHBondContact O-N 3.37Å; P113-C115 VanDerWaalsContact O-N 3.1Å; C115-R119 WeakPolarHBondContact O-CB 3.43Å; C115-R119 VanDerWaalsContact O-CG 3.3Å; C115-R119 WeakPolarHBondContact O-CG 3.45Å; C115-R119 PolarHBondContact O-N 3.13Å
116L92.9Very high92.6Very high41 Ų4154.2 Ų54.222%0.21528%0.277CS..Hα-helixtrans-74.6-44.5178-17858.9000110.8F39 Y40 F112 P113 A114 N118 R119 K120F39-L116 HydrophobicContact CE2-CG 4.19Å; F39-L116 HydrophobicContact CZ-CG 4.45Å; Y40-L116 HydrophobicContact CE2-CD2 4.12Å; F112-L116 HydrophobicContact CD1-CD2 3.83Å; P113-L116 HydrophobicContact CB-CB 4.49Å; P113-L116 WeakPolarHBondContact O-CA 3.36Å; P113-L116 WeakPolarHBondContact O-CB 3.33Å; P113-L116 PolarHBondContact O-N 2.67Å; A114-L116 VanDerWaalsContact C-N 3.29Å; A114-L116 PolarHBondContact O-N 3.09Å; L116-N118 VanDerWaalsContact C-N 3.3Å; L116-N118 PolarHBondContact O-N 3.1Å; L116-R119 PolarHBondContact O-N 3.42Å; L116-K120 HydrophobicContact CD1-CG 3.79Å; L116-K120 VanDerWaalsContact O-CB 3.32Å; L116-K120 WeakPolarHBondContact O-CB 3.36Å; L116-K120 PolarHBondContact O-N 3.17Å
117I93.2Very high93Very high0 Ų053.7 Ų53.70%027%0.273CS..Hα-helixtrans-59.6-44.3173-53.4166.9000109.7F39 L100 L104 V109 F112 P113 A114 R119 K120 V121 L122F39-I117 HydrophobicContact CZ-CG1 4.27Å; L100-I117 HydrophobicContact CD1-CB 4.02Å; L100-I117 HydrophobicContact CD1-CD1 4.02Å; L100-I117 HydrophobicContact CD1-CG2 3.77Å; L104-I117 HydrophobicContact CD1-CG2 4.26Å; V109-I117 HydrophobicContact CB-CD1 4.02Å; V109-I117 HydrophobicContact CB-CG1 4.46Å; V109-I117 HydrophobicContact CG2-CD1 4.31Å; V109-I117 WeakPolarHBondContact O-CD1 3.46Å; F112-I117 HydrophobicContact CB-CD1 4.39Å; F112-I117 HydrophobicContact CB-CG1 4.05Å; P113-I117 PolarHBondContact O-N 2.78Å; A114-I117 PolarHBondContact O-N 2.79Å; I117-R119 VanDerWaalsContact C-N 3.34Å; I117-R119 PolarHBondContact O-N 3.02Å; I117-K120 PolarHBondContact O-N 3.13Å; I117-V121 HydrophobicContact CG2-CB 4.04Å; I117-V121 HydrophobicContact CG2-CG2 4.13Å; I117-V121 WeakPolarHBondContact O-CA 3.4Å; I117-V121 VanDerWaalsContact O-CB 3.3Å; I117-V121 WeakPolarHBondContact O-CB 3.41Å; I117-V121 PolarHBondContact O-N 3.01Å; I117-L122 PolarHBondContact O-N 2.78Å; I117-L122 VanDerWaalsContact O-N 3.17Å
118N93.9Very high93.4Very high59 Ų5949.4 Ų49.432%0.31625%0.245SC..Iπ-helixtrans-58.7-44.8176.6179.469.7000112.4A114 L116 L122 S123 R126A114-N118 VanDerWaalsContact O-CB 3.22Å; A114-N118 WeakPolarHBondContact O-CB 3.29Å; A114-N118 PolarHBondContact O-N 3.2Å; L116-N118 VanDerWaalsContact C-N 3.3Å; L116-N118 PolarHBondContact O-N 3.1Å; N118-L122 HydrophobicContact CB-CD1 4.31Å; N118-S123 PolarHBondContact O-N 2.61Å; N118-R126 PolarHBondContact OD1-NH1 2.95Å; N118-R126 PolarHBondContact OD1-NH2 2.97Å
119R93.5Very high93.9Very high183 Ų18345.9 Ų45.969%0.69123%0.227SC*.Iπ-helixtrans-71.5-35.2179.6-76.7177.770.2166.33113.1C115 L116 I117 S123 R124C115-R119 WeakPolarHBondContact O-CB 3.43Å; C115-R119 VanDerWaalsContact O-CG 3.3Å; C115-R119 WeakPolarHBondContact O-CG 3.45Å; C115-R119 PolarHBondContact O-N 3.13Å; L116-R119 PolarHBondContact O-N 3.42Å; I117-R119 VanDerWaalsContact C-N 3.34Å; I117-R119 PolarHBondContact O-N 3.02Å; R119-S123 PolarHBondContact O-OG 3.46Å; R119-S123 VanDerWaalsContact O-OG 3.1Å; R119-R124 PolarHBondContact O-NE 3.24Å; R119-R124 VanDerWaalsContact O-NE 3.09Å; R119-R124 PolarHBondContact O-NH2 3.36Å
120K92.8Very high94.4Very high79 Ų7945.7 Ų45.734%0.34323%0.226SC..Iπ-helixtrans-103.7-12.3-170.2-68.8-79-168.8169.80114.8F39 L116 I117 R124F39-K120 HydrophobicContact CD2-CB 3.55Å; F39-K120 HydrophobicContact CD2-CG 4.29Å; F39-K120 HydrophobicContact CE2-CB 3.71Å; F39-K120 HydrophobicContact CE2-CG 4.25Å; L116-K120 HydrophobicContact CD1-CG 3.79Å; L116-K120 VanDerWaalsContact O-CB 3.32Å; L116-K120 WeakPolarHBondContact O-CB 3.36Å; L116-K120 PolarHBondContact O-N 3.17Å; I117-K120 PolarHBondContact O-N 3.13Å; K120-R124 VanDerWaalsContact C-CZ 3.41Å; K120-R124 VanDerWaalsContact C-NE 3.25Å; K120-R124 VanDerWaalsContact C-NH1 3.34Å; K120-R124 WeakPolarHBondContact O-CD 3.31Å; K120-R124 VanDerWaalsContact O-CZ 3.28Å; K120-R124 PolarHBondContact O-NE 3.34Å; K120-R124 PolarHBondContact O-NH1 3.18Å
121V94.4Very high94.8Very high10 Ų1041.5 Ų41.56%0.06120%0.204CC..Iπ-helixtrans-130.4-62.2-178.3-176.80000110.2I37 F39 L104 I117 S123 R124 F125I37-V121 HydrophobicContact CD1-CG1 4.4Å; I37-V121 HydrophobicContact CG2-CB 4.43Å; I37-V121 HydrophobicContact CG2-CG1 4.3Å; I37-V121 HydrophobicContact CG2-CG2 4.06Å; F39-V121 HydrophobicContact CD2-CG2 3.94Å; F39-V121 HydrophobicContact CE2-CG2 4.41Å; F39-V121 HydrophobicContact CG-CG2 4.25Å; L104-V121 HydrophobicContact CD1-CG1 3.9Å; L104-V121 HydrophobicContact CD2-CG1 4.12Å; I117-V121 HydrophobicContact CG2-CB 4.04Å; I117-V121 HydrophobicContact CG2-CG2 4.13Å; I117-V121 WeakPolarHBondContact O-CA 3.4Å; I117-V121 VanDerWaalsContact O-CB 3.3Å; I117-V121 WeakPolarHBondContact O-CB 3.41Å; I117-V121 PolarHBondContact O-N 3.01Å; V121-S123 VanDerWaalsContact C-N 3.31Å; V121-S123 PolarHBondContact O-N 2.57Å; V121-R124 WeakPolarHBondContact O-CB 3.3Å; V121-R124 VanDerWaalsContact O-CD 3.26Å; V121-R124 WeakPolarHBondContact O-CD 3.45Å; V121-R124 PolarHBondContact O-N 3.14Å; V121-R124 VanDerWaalsContact O-N 3.07Å; V121-F125 HydrophobicContact CG1-CD2 4.02Å; V121-F125 HydrophobicContact CG1-CE2 3.69Å; V121-F125 WeakPolarHBondContact O-CD2 3.35Å; V121-F125 PolarHBondContact O-N 2.76Å
122L96.6Very high95.2Very high0 Ų033.8 Ų33.80%017%0.17CC..Iπ-helixtrans-65.3-32.2-173.6-57.9-178.2000113.6L94 L100 I117 N118 R124 F125 R126 P165 Y166L94-L122 HydrophobicContact CB-CD1 4.45Å; L100-L122 HydrophobicContact CD1-CD1 4.3Å; L100-L122 HydrophobicContact CD2-CD1 3.68Å; L100-L122 HydrophobicContact CD2-CD2 4.01Å; L100-L122 HydrophobicContact CD2-CG 4.28Å; I117-L122 PolarHBondContact O-N 2.78Å; I117-L122 VanDerWaalsContact O-N 3.17Å; N118-L122 HydrophobicContact CB-CD1 4.31Å; L122-R124 PolarHBondContact O-N 2.95Å; L122-F125 PolarHBondContact O-N 3.23Å; L122-R126 VanDerWaalsContact CB-NH1 3.27Å; L122-R126 WeakPolarHBondContact O-CG 3.3Å; L122-R126 PolarHBondContact O-N 3.25Å; L122-P165 HydrophobicContact CD2-CB 3.96Å; L122-P165 HydrophobicContact CD2-CG 4.18Å; L122-Y166 HydrophobicContact CB-CE2 4.28Å
123S97.2Very high95.5Very high14 Ų1431.4 Ų31.410%0.09816%0.16CC..Hα-helixtrans-63-24.6177.690.30000113.2E76 N118 R119 V121 R126 L127E76-S123 WeakPolarHBondContact OE1-CA 3.28Å; E76-S123 VanDerWaalsContact OE1-CB 3.29Å; E76-S123 WeakPolarHBondContact OE1-CB 3.42Å; N118-S123 PolarHBondContact O-N 2.61Å; R119-S123 PolarHBondContact O-OG 3.46Å; R119-S123 VanDerWaalsContact O-OG 3.1Å; V121-S123 VanDerWaalsContact C-N 3.31Å; V121-S123 PolarHBondContact O-N 2.57Å; S123-R126 VanDerWaalsContact CB-NH2 3.28Å; S123-L127 WeakPolarHBondContact O-CB 3.32Å; S123-L127 PolarHBondContact O-N 3.4Å; S123-L127 VanDerWaalsContact O-N 3.08Å
124R97.4Very high95.8Very high37 Ų3728.8 Ų28.814%0.1414%0.141CC..Hα-helixtrans-81.7-42.2179.5-58.685-142.5-82.6-12.7109.8K34 I37 R119 K120 V121 L122 R126 L127 Q128K34-R124 VanDerWaalsContact O-CB 3.28Å; K34-R124 WeakPolarHBondContact O-CB 3.46Å; K34-R124 WeakPolarHBondContact O-CG 3.44Å; I37-R124 HydrophobicContact CD1-CB 4.27Å; I37-R124 HydrophobicContact CG1-CB 3.76Å; I37-R124 HydrophobicContact CG1-CG 4.1Å; R119-R124 PolarHBondContact O-NE 3.24Å; R119-R124 VanDerWaalsContact O-NE 3.09Å; R119-R124 PolarHBondContact O-NH2 3.36Å; K120-R124 VanDerWaalsContact C-CZ 3.41Å; K120-R124 VanDerWaalsContact C-NE 3.25Å; K120-R124 VanDerWaalsContact C-NH1 3.34Å; K120-R124 WeakPolarHBondContact O-CD 3.31Å; K120-R124 VanDerWaalsContact O-CZ 3.28Å; K120-R124 PolarHBondContact O-NE 3.34Å; K120-R124 PolarHBondContact O-NH1 3.18Å; V121-R124 WeakPolarHBondContact O-CB 3.3Å; V121-R124 VanDerWaalsContact O-CD 3.26Å; V121-R124 WeakPolarHBondContact O-CD 3.45Å; V121-R124 PolarHBondContact O-N 3.14Å; V121-R124 VanDerWaalsContact O-N 3.07Å; L122-R124 PolarHBondContact O-N 2.95Å; R124-R126 VanDerWaalsContact C-N 3.32Å; R124-R126 PolarHBondContact O-N 3.43Å; R124-L127 WeakPolarHBondContact O-CB 3.22Å; R124-L127 PolarHBondContact O-N 3.45Å; R124-Q128 WeakPolarHBondContact O-CG 3.29Å; R124-Q128 PolarHBondContact O-N 3.44Å
125F97.9Very high96.2Very high15 Ų1527.7 Ų27.77%0.06613%0.133CC..Hα-helixtrans-57.9-43.9168.2-74.3-81.1000111.5I37 L104 V121 L122 L127 Q128 T129 F152 F163 P165 Y166I37-F125 HydrophobicContact CD1-CD2 3.88Å; I37-F125 HydrophobicContact CD1-CE2 3.42Å; I37-F125 VanDerWaalsContact CD1-CE2 3.42Å; I37-F125 HydrophobicContact CD1-CZ 3.86Å; L104-F125 HydrophobicContact CD2-CE2 3.84Å; L104-F125 HydrophobicContact CD2-CZ 4.18Å; V121-F125 HydrophobicContact CG1-CD2 4.02Å; V121-F125 HydrophobicContact CG1-CE2 3.69Å; V121-F125 WeakPolarHBondContact O-CD2 3.35Å; V121-F125 PolarHBondContact O-N 2.76Å; L122-F125 PolarHBondContact O-N 3.23Å; F125-L127 VanDerWaalsContact C-N 3.31Å; F125-L127 PolarHBondContact O-N 3.38Å; F125-Q128 PolarHBondContact O-N 3.39Å; F125-T129 PolarHBondContact O-N 2.78Å; F125-T129 PolarHBondContact O-OG1 3.08Å; F125-F152 HydrophobicContact CB-CE2 4.32Å; F125-F152 HydrophobicContact CD1-CD1 4.22Å; F125-F152 HydrophobicContact CD1-CD2 4.35Å; F125-F152 AromaticContact CD1-CE1 3.6Å; F125-F152 HydrophobicContact CD1-CE1 3.6Å; F125-F152 AromaticContact CD1-CE2 3.75Å; F125-F152 HydrophobicContact CD1-CE2 3.75Å; F125-F152 AromaticContact CD1-CZ 3.35Å; F125-F152 HydrophobicContact CD1-CZ 3.35Å; F125-F152 HydrophobicContact CE1-CD1 4.28Å; F125-F152 AromaticContact CE1-CE1 3.73Å; F125-F152 HydrophobicContact CE1-CE1 3.73Å; F125-F152 AromaticContact CE1-CZ 3.96Å; F125-F152 HydrophobicContact CE1-CZ 3.96Å; F125-F152 HydrophobicContact CG-CZ 4.35Å; F125-F163 VanDerWaalsContact CE1-O 3.28Å; F125-F163 WeakPolarHBondContact CE1-O 3.48Å; F125-F163 WeakPolarHBondContact CZ-O 3.29Å; F125-P165 HydrophobicContact CB-CG 3.65Å; F125-P165 VanDerWaalsContact CD1-CD 3.45Å; F125-P165 HydrophobicContact CD1-CG 3.57Å; F125-P165 HydrophobicContact CD2-CG 3.75Å; F125-P165 HydrophobicContact CE1-CG 4.12Å; F125-P165 HydrophobicContact CE2-CG 4.25Å; F125-P165 HydrophobicContact CG-CG 3.39Å; F125-P165 HydrophobicContact CZ-CG 4.43Å; F125-Y166 HydrophobicContact CB-CD2 3.72Å; F125-Y166 HydrophobicContact CB-CE2 3.91Å
126R98.4Very high96.4Very high23 Ų2323.5 Ų23.59%0.08710%0.104CC..Hα-helixtrans-63.8-33.7175.1-70.8-171.5-59.6-89.42.1113.6E76 A77 L82 N118 L122 S123 R124 T129 G130 Y166E76-R126 HydrophobicContact CG-CB 3.62Å; E76-R126 IonicContact OE1-CZ 3.94Å; E76-R126 IonicContact OE1-NE 3.76Å; E76-R126 PolarHBondContact OE1-NE 3.29Å; E76-R126 IonicContact OE1-NH2 3.88Å; E76-R126 PolarHBondContact OE1-NH2 2.93Å; A77-R126 HydrophobicContact CB-CB 4.21Å; A77-R126 WeakPolarHBondContact CB-O 3.32Å; A77-R126 PolarHBondContact N-O 3.22Å; A77-R126 VanDerWaalsContact O-CD 3.31Å; A77-R126 WeakPolarHBondContact O-CD 3.25Å; L82-R126 HydrophobicContact CD1-CG 4.13Å; N118-R126 PolarHBondContact OD1-NH1 2.95Å; N118-R126 PolarHBondContact OD1-NH2 2.97Å; L122-R126 VanDerWaalsContact CB-NH1 3.27Å; L122-R126 WeakPolarHBondContact O-CG 3.3Å; L122-R126 PolarHBondContact O-N 3.25Å; S123-R126 VanDerWaalsContact CB-NH2 3.28Å; R124-R126 VanDerWaalsContact C-N 3.32Å; R124-R126 PolarHBondContact O-N 3.43Å; R126-T129 PolarHBondContact O-N 3.37Å; R126-G130 PolarHBondContact O-N 3.3Å; R126-Y166 HydrophobicContact CB-CE2 4.44Å; R126-Y166 HydrophobicContact CG-CD2 3.85Å; R126-Y166 HydrophobicContact CG-CE1 4.26Å; R126-Y166 HydrophobicContact CG-CE2 3.31Å; R126-Y166 PolarHBondContact NH1-OH 3.41Å
127L98Very high96.5Very high10 Ų1023.4 Ų23.45%0.05210%0.101CC..Hα-helixtrans-68.9-41.1175.1-167.560.8000111.5H32 K34 Y35 P74 E76 S123 R124 F125 G130 G131H32-L127 HydrophobicContact CB-CD2 3.71Å; H32-L127 HydrophobicContact CB-CG 4.12Å; K34-L127 HydrophobicContact CB-CD2 3.59Å; Y35-L127 HydrophobicContact CD1-CB 4.49Å; Y35-L127 HydrophobicContact CD1-CD2 4.24Å; Y35-L127 HydrophobicContact CD1-CG 4.17Å; Y35-L127 HydrophobicContact CE1-CB 4.34Å; Y35-L127 HydrophobicContact CE1-CD2 4.45Å; Y35-L127 HydrophobicContact CE1-CG 3.93Å; P74-L127 HydrophobicContact CG-CD1 4.19Å; P74-L127 HydrophobicContact CG-CG 4.29Å; P74-L127 WeakPolarHBondContact O-CD1 3.44Å; E76-L127 HydrophobicContact CB-CD1 4.09Å; S123-L127 WeakPolarHBondContact O-CB 3.32Å; S123-L127 PolarHBondContact O-N 3.4Å; S123-L127 VanDerWaalsContact O-N 3.08Å; R124-L127 WeakPolarHBondContact O-CB 3.22Å; R124-L127 PolarHBondContact O-N 3.45Å; F125-L127 VanDerWaalsContact C-N 3.31Å; F125-L127 PolarHBondContact O-N 3.38Å; L127-G130 PolarHBondContact O-N 2.92Å; L127-G131 PolarHBondContact O-N 2.93Å
128Q98.5Very high96.6Very high0 Ų023.6 Ų23.60%010%0.102CC..Hα-helixtrans-64.2-40.6171.9-70.5-17654.400111.8Y35 W53 R124 F125 G130 G131 T132 N147 F152Y35-Q128 HydrophobicContact CD1-CG 3.49Å; Y35-Q128 VanDerWaalsContact CD1-CG 3.49Å; Y35-Q128 HydrophobicContact CD2-CG 3.79Å; Y35-Q128 HydrophobicContact CE1-CB 4.25Å; Y35-Q128 HydrophobicContact CE1-CG 3.61Å; Y35-Q128 HydrophobicContact CE2-CG 3.92Å; Y35-Q128 HydrophobicContact CG-CG 3.57Å; Y35-Q128 PolarHBondContact O-NE2 3.09Å; W53-Q128 VanDerWaalsContact CZ2-NE2 3.33Å; R124-Q128 WeakPolarHBondContact O-CG 3.29Å; R124-Q128 PolarHBondContact O-N 3.44Å; F125-Q128 PolarHBondContact O-N 3.39Å; Q128-G130 PolarHBondContact O-N 3.39Å; Q128-G131 CarbonylContact O-C 3.53Å; Q128-G131 WeakPolarHBondContact O-CA 3.31Å; Q128-G131 PolarHBondContact O-N 2.8Å; Q128-T132 PolarHBondContact O-N 3.03Å; Q128-T132 PolarHBondContact O-OG1 3.29Å; Q128-N147 PolarHBondContact O-ND2 3.49Å; Q128-F152 HydrophobicContact CB-CE2 3.88Å; Q128-F152 HydrophobicContact CB-CZ 3.67Å; Q128-F152 HydrophobicContact CG-CZ 4.35Å
129T98.6Very high96.7Very high0 Ų020.8 Ų20.80%09%0.087CC..Hα-helixtrans-58.6-46.5173-60.20000112A77 L82 F125 R126 G131 T132 I133 D168 L171A77-T129 HydrophobicContact CB-CG2 4.2Å; L82-T129 HydrophobicContact CD2-CG2 4.34Å; F125-T129 PolarHBondContact O-N 2.78Å; F125-T129 PolarHBondContact O-OG1 3.08Å; R126-T129 PolarHBondContact O-N 3.37Å; T129-G131 PolarHBondContact O-N 3.2Å; T129-T132 PolarHBondContact O-N 2.93Å; T129-I133 HydrophobicContact CG2-CD1 4.21Å; T129-I133 WeakPolarHBondContact O-CG1 3.37Å; T129-I133 PolarHBondContact O-N 2.94Å; T129-I133 VanDerWaalsContact O-N 3.13Å; T129-D168 HydrophobicContact CG2-CB 3.89Å; T129-L171 HydrophobicContact CG2-CD1 3.61Å
130G98.1Very high96.7Very high1 Ų114 Ų141%0.017%0.065CC..Hα-helixtrans-60.6-34.3172.800000112.5M75 R126 L127 Q128 I133 L134M75-G130 WeakPolarHBondContact O-CA 3.49Å; R126-G130 PolarHBondContact O-N 3.3Å; L127-G130 PolarHBondContact O-N 2.92Å; Q128-G130 PolarHBondContact O-N 3.39Å; G130-I133 PolarHBondContact O-N 3.49Å; G130-L134 WeakPolarHBondContact O-CB 3.45Å; G130-L134 PolarHBondContact O-N 3.34Å
131G97.6Very high96.7Very high0 Ų013.8 Ų13.80%07%0.065CC..Hα-helixtrans-66.6-39173.200000114.7Y35 L127 Q128 T129 I133 L134 A135Y35-G131 WeakPolarHBondContact OH-CA 3.47Å; L127-G131 PolarHBondContact O-N 2.93Å; Q128-G131 CarbonylContact O-C 3.53Å; Q128-G131 WeakPolarHBondContact O-CA 3.31Å; Q128-G131 PolarHBondContact O-N 2.8Å; T129-G131 PolarHBondContact O-N 3.2Å; G131-I133 VanDerWaalsContact C-N 3.32Å; G131-L134 PolarHBondContact O-N 3.13Å; G131-A135 VanDerWaalsContact O-CB 3.24Å; G131-A135 WeakPolarHBondContact O-CB 3.18Å; G131-A135 PolarHBondContact O-N 3.26Å
132T98.6Very high96.6Very high0 Ų016.3 Ų16.30%08%0.077CC..Hα-helixtrans-65.1-40.7175.7-59.20000110.5Q128 T129 S136 N147 D168 V311Q128-T132 PolarHBondContact O-N 3.03Å; Q128-T132 PolarHBondContact O-OG1 3.29Å; T129-T132 PolarHBondContact O-N 2.93Å; T132-S136 WeakPolarHBondContact O-CB 3.42Å; T132-S136 PolarHBondContact O-N 2.71Å; T132-S136 PolarHBondContact O-OG 3.34Å; T132-N147 PolarHBondContact N-ND2 2.81Å; T132-N147 PolarHBondContact OG1-ND2 3.46Å; T132-D168 WeakPolarHBondContact CB-OD2 3.43Å; T132-D168 HydrophobicContact CG2-CB 4.28Å; T132-D168 PolarHBondContact OG1-OD2 3.49Å; T132-V311 HydrophobicContact CG2-CG1 3.82Å
133I97.6Very high96.5Very high0 Ų016.8 Ų16.80%08%0.082CC..Hα-helixtrans-62.6-48.1174.9-67.7167.2000110.7L17 Y18 T129 G130 G131 S136 R137 L171 F175L17-I133 HydrophobicContact CB-CB 4.46Å; L17-I133 HydrophobicContact CB-CG2 3.82Å; L17-I133 HydrophobicContact CD1-CD1 3.58Å; Y18-I133 HydrophobicContact CD2-CG2 3.57Å; Y18-I133 HydrophobicContact CE2-CG2 4.48Å; Y18-I133 HydrophobicContact CG-CG2 4.38Å; T129-I133 HydrophobicContact CG2-CD1 4.21Å; T129-I133 WeakPolarHBondContact O-CG1 3.37Å; T129-I133 PolarHBondContact O-N 2.94Å; T129-I133 VanDerWaalsContact O-N 3.13Å; G130-I133 PolarHBondContact O-N 3.49Å; G131-I133 VanDerWaalsContact C-N 3.32Å; I133-S136 PolarHBondContact O-N 3.4Å; I133-R137 PolarHBondContact O-N 2.89Å; I133-R137 VanDerWaalsContact O-N 3.16Å; I133-L171 HydrophobicContact CD1-CB 4.19Å; I133-F175 HydrophobicContact CD1-CD2 4.08Å; I133-F175 HydrophobicContact CD1-CE2 4.04Å; I133-F175 HydrophobicContact CG1-CD2 4.45Å; I133-F175 HydrophobicContact CG2-CG 4.32Å
134L96.1Very high96.5Very high22 Ų2216.2 Ų16.212%0.1158%0.078CC..Hα-helixtrans-63.3-48.5178.1-176.763.6000112I21 V30 L72 P74 G130 G131 S136 R137 V138I21-L134 HydrophobicContact CD1-CD1 3.58Å; I21-L134 HydrophobicContact CD1-CG 4.39Å; I21-L134 HydrophobicContact CG1-CD1 4.26Å; V30-L134 HydrophobicContact CG1-CB 4.5Å; V30-L134 HydrophobicContact CG1-CD2 4.01Å; V30-L134 HydrophobicContact CG2-CD2 4.22Å; V30-L134 HydrophobicContact CG2-CG 4.22Å; L72-L134 HydrophobicContact CB-CD2 4.19Å; P74-L134 HydrophobicContact CB-CD2 4.36Å; G130-L134 WeakPolarHBondContact O-CB 3.45Å; G130-L134 PolarHBondContact O-N 3.34Å; G131-L134 PolarHBondContact O-N 3.13Å; L134-S136 VanDerWaalsContact C-N 3.26Å; L134-S136 PolarHBondContact O-N 3.23Å; L134-R137 WeakPolarHBondContact O-CA 3.31Å; L134-R137 WeakPolarHBondContact O-CB 3.32Å; L134-R137 PolarHBondContact O-N 3.33Å; L134-V138 VanDerWaalsContact O-CG2 3.28Å; L134-V138 WeakPolarHBondContact O-CG2 3.37Å; L134-V138 PolarHBondContact O-N 3.11Å
135A96.5Very high96.5Very high0 Ų014.5 Ų14.50%07%0.072CC..Hα-helixtrans-60.6-37.7178.400000111.3V30 G131 R137 V138 A139 A145 N147 V309V30-A135 HydrophobicContact CB-CB 4.35Å; V30-A135 HydrophobicContact CG2-CB 3.8Å; G131-A135 VanDerWaalsContact O-CB 3.24Å; G131-A135 WeakPolarHBondContact O-CB 3.18Å; G131-A135 PolarHBondContact O-N 3.26Å; A135-R137 VanDerWaalsContact C-N 3.31Å; A135-R137 PolarHBondContact O-N 2.61Å; A135-V138 PolarHBondContact O-N 2.99Å; A135-A139 WeakPolarHBondContact O-CB 3.42Å; A135-A139 PolarHBondContact O-N 3.4Å; A135-A145 HydrophobicContact CB-CB 4.19Å; A135-A145 VanDerWaalsContact O-CB 3.25Å; A135-A145 WeakPolarHBondContact O-CB 3.18Å; A135-N147 HydrophobicContact CB-CB 3.93Å; A135-V309 HydrophobicContact CB-CG2 3.71Å
136S97.2Very high96.5Very high0 Ų013.8 Ų13.80%07%0.069CC..Hα-helixtrans-63-38175.1-57.40000111.9T132 I133 L134 L140 S172T132-S136 WeakPolarHBondContact O-CB 3.42Å; T132-S136 PolarHBondContact O-N 2.71Å; T132-S136 PolarHBondContact O-OG 3.34Å; I133-S136 PolarHBondContact O-N 3.4Å; L134-S136 VanDerWaalsContact C-N 3.26Å; L134-S136 PolarHBondContact O-N 3.23Å; S136-L140 PolarHBondContact O-N 2.97Å; S136-S172 WeakPolarHBondContact OG-CB 2.75Å
137R95Very high96.5Very high38 Ų3812.7 Ų12.714%0.1436%0.064CC..Hα-helixtrans-64.1-49.1172.3177.457.5-174.4-177.35111.6Y18 I133 L134 A135 A139 L140 E141Y18-R137 HydrophobicContact CD2-CB 4.06Å; Y18-R137 HydrophobicContact CE1-CB 4.26Å; Y18-R137 VanDerWaalsContact CE1-CD 3.48Å; Y18-R137 HydrophobicContact CE1-CG 4.18Å; Y18-R137 HydrophobicContact CE2-CB 3.6Å; Y18-R137 HydrophobicContact CE2-CG 4.4Å; Y18-R137 VanDerWaalsContact CZ-CD 3.44Å; Y18-R137 WeakPolarHBondContact OH-CD 3.41Å; I133-R137 PolarHBondContact O-N 2.89Å; I133-R137 VanDerWaalsContact O-N 3.16Å; L134-R137 WeakPolarHBondContact O-CA 3.31Å; L134-R137 WeakPolarHBondContact O-CB 3.32Å; L134-R137 PolarHBondContact O-N 3.33Å; A135-R137 VanDerWaalsContact C-N 3.31Å; A135-R137 PolarHBondContact O-N 2.61Å; R137-A139 VanDerWaalsContact C-N 3.32Å; R137-A139 PolarHBondContact O-N 2.81Å; R137-L140 PolarHBondContact O-N 3.48Å; R137-E141 IonicContact CZ-OE1 2.69Å; R137-E141 IonicContact NE-OE1 3.79Å; R137-E141 PolarHBondContact NE-OE1 3.33Å; R137-E141 IonicContact NH2-OE1 2.72Å; R137-E141 PolarHBondContact NH2-OE1 2.89Å; R137-E141 PolarHBondContact O-N 3.36Å
138V94.3Very high96.5Very high4 Ų412.2 Ų12.22%0.0246%0.062CC..Hα-helixtrans-57-48.1179.6177.20000110.2I21 H27 L72 L134 A135 L140 E141 I142 A145I21-V138 HydrophobicContact CD1-CB 4.38Å; I21-V138 HydrophobicContact CD1-CG2 3.2Å; H27-V138 VanDerWaalsContact O-CG1 3.28Å; H27-V138 WeakPolarHBondContact O-CG1 3.48Å; L72-V138 HydrophobicContact CD1-CG1 4.37Å; L72-V138 HydrophobicContact CD1-CG2 3.36Å; L134-V138 VanDerWaalsContact O-CG2 3.28Å; L134-V138 WeakPolarHBondContact O-CG2 3.37Å; L134-V138 PolarHBondContact O-N 3.11Å; A135-V138 PolarHBondContact O-N 2.99Å; V138-L140 VanDerWaalsContact C-N 3.28Å; V138-L140 PolarHBondContact O-N 3.43Å; V138-E141 PolarHBondContact O-N 2.83Å; V138-I142 HydrophobicContact CG1-CD1 3.58Å; V138-I142 HydrophobicContact CG1-CG1 3.87Å; V138-I142 WeakPolarHBondContact O-CG1 3.19Å; V138-I142 PolarHBondContact O-N 2.85Å; V138-A145 HydrophobicContact CB-CB 3.73Å; V138-A145 HydrophobicContact CG1-CB 3.67Å
139A95.8Very high96.4Very high0 Ų012.2 Ų12.20%06%0.062CC..Hα-helixtrans-57.2-40.4-179.100000112.1A135 R137 E141 G143 A145 I263 P307 V308 V309A135-A139 WeakPolarHBondContact O-CB 3.42Å; A135-A139 PolarHBondContact O-N 3.4Å; R137-A139 VanDerWaalsContact C-N 3.32Å; R137-A139 PolarHBondContact O-N 2.81Å; A139-E141 VanDerWaalsContact C-N 3.3Å; A139-E141 PolarHBondContact O-N 2.63Å; A139-G143 CarbonylContact O-C 3.59Å; A139-G143 WeakPolarHBondContact O-CA 3.46Å; A139-G143 PolarHBondContact O-N 2.82Å; A139-A145 HydrophobicContact CB-CB 3.94Å; A139-I263 HydrophobicContact CB-CD1 4.47Å; A139-P307 WeakPolarHBondContact O-CB 3.21Å; A139-V308 WeakPolarHBondContact CB-O 3.14Å; A139-V309 HydrophobicContact CB-CB 3.98Å
140L94.5Very high96.4Very high42 Ų4212.2 Ų12.222%0.226%0.062CC..Hα-helixtrans-63.6-33.9174.3-73.1-179.3000113.3S136 R137 V138 L176 L181 I182 I263 P307S136-L140 PolarHBondContact O-N 2.97Å; R137-L140 PolarHBondContact O-N 3.48Å; V138-L140 VanDerWaalsContact C-N 3.28Å; V138-L140 PolarHBondContact O-N 3.43Å; L140-L176 HydrophobicContact CD1-CD1 4.27Å; L140-L176 HydrophobicContact CD1-CD2 3.75Å; L140-L181 HydrophobicContact CD1-CB 3.94Å; L140-I182 HydrophobicContact CD1-CG2 4.01Å; L140-I182 HydrophobicContact CD2-CG2 3.77Å; L140-I263 HydrophobicContact CD2-CB 4.03Å; L140-I263 HydrophobicContact CD2-CD1 3.96Å; L140-I263 HydrophobicContact CD2-CG1 4.37Å; L140-I263 HydrophobicContact CG-CD1 4.01Å; L140-P307 HydrophobicContact CD2-CB 4.14Å; L140-P307 HydrophobicContact CD2-CG 4.07Å
141E92Very high96.4Very high73 Ų7312.2 Ų12.234%0.3416%0.062SC..Hα-helixtrans-81.7-38.5-176.5-68.9-174.6171.300112.6R137 V138 A139R137-E141 IonicContact CZ-OE1 2.69Å; R137-E141 IonicContact NE-OE1 3.79Å; R137-E141 PolarHBondContact NE-OE1 3.33Å; R137-E141 IonicContact NH2-OE1 2.72Å; R137-E141 PolarHBondContact NH2-OE1 2.89Å; R137-E141 PolarHBondContact O-N 3.36Å; V138-E141 PolarHBondContact O-N 2.83Å; A139-E141 VanDerWaalsContact C-N 3.3Å; A139-E141 PolarHBondContact O-N 2.63Å
142I92.5Very high96.5Very high64 Ų6412.8 Ų12.833%0.3287%0.065SC..Hα-helixtrans-118-0.5-172.874.9175.4000114.2A28 V138 A144 P338A28-I142 HydrophobicContact CB-CD1 4.02Å; V138-I142 HydrophobicContact CG1-CD1 3.58Å; V138-I142 HydrophobicContact CG1-CG1 3.87Å; V138-I142 WeakPolarHBondContact O-CG1 3.19Å; V138-I142 PolarHBondContact O-N 2.85Å; I142-A144 WeakPolarHBondContact CG1-O 3.41Å; I142-P338 HydrophobicContact CD1-CG 4.46Å
143G95.1Very high96.5Very high9 Ų912.9 Ų12.99%0.0937%0.065CC..SBendtrans93-21.8176.200000115.4A139 R300 P307 V308A139-G143 CarbonylContact O-C 3.59Å; A139-G143 WeakPolarHBondContact O-CA 3.46Å; A139-G143 PolarHBondContact O-N 2.82Å; G143-R300 PolarHBondContact O-NH1 2.95Å; G143-P307 VanDerWaalsContact O-CA 3.25Å; G143-P307 WeakPolarHBondContact O-CA 3.29Å; G143-V308 PolarHBondContact O-N 2.8Å; G143-V308 VanDerWaalsContact O-N 3.09Å
144A96.9Very high96.5Very high3 Ų313.3 Ų13.33%0.0257%0.067CC..EExtended strand (participates in β ladder)trans-156.9145.5173.800000112.7I142 F296 V308 L337I142-A144 WeakPolarHBondContact CG1-O 3.41Å; A144-F296 HydrophobicContact CB-CE1 3.98Å; A144-V308 CarbonylContact C-O 3.18Å; A144-V308 VanDerWaalsContact CA-O 3.25Å; A144-V308 WeakPolarHBondContact CA-O 3.29Å; A144-L337 HydrophobicContact CB-CD2 3.75Å
145A96.7Very high96.6Very high0 Ų012.3 Ų12.30%06%0.062CC..EExtended strand (participates in β ladder)trans-151.9159172.700000111.8A28 A135 V138 A139 V308 V309 M310A28-A145 CarbonylContact O-C 3.58Å; A28-A145 VanDerWaalsContact O-CA 3.22Å; A28-A145 WeakPolarHBondContact O-CA 3.4Å; A28-A145 WeakPolarHBondContact O-CB 3.41Å; A135-A145 HydrophobicContact CB-CB 4.19Å; A135-A145 VanDerWaalsContact O-CB 3.25Å; A135-A145 WeakPolarHBondContact O-CB 3.18Å; V138-A145 HydrophobicContact CB-CB 3.73Å; V138-A145 HydrophobicContact CG1-CB 3.67Å; A139-A145 HydrophobicContact CB-CB 3.94Å; A145-V308 PolarHBondContact N-O 3.02Å; A145-V309 CarbonylContact O-C 3.6Å; A145-V309 WeakPolarHBondContact O-CA 3.31Å; A145-M310 PolarHBondContact O-N 3.28Å
146V98.2Very high96.7Very high0 Ų012.7 Ų12.70%06%0.064CC..EExtended strand (participates in β ladder)trans-128.1120.6-179.9-175.10000108.2A28 F29 V30 M310 L328 L337A28-V146 PolarHBondContact O-N 3.36Å; F29-V146 HydrophobicContact CD1-CB 3.98Å; F29-V146 HydrophobicContact CD1-CG1 4.43Å; F29-V146 HydrophobicContact CD1-CG2 4.38Å; F29-V146 HydrophobicContact CE1-CB 4.07Å; F29-V146 HydrophobicContact CE1-CG1 4.46Å; F29-V146 HydrophobicContact CE1-CG2 4.01Å; F29-V146 HydrophobicContact CZ-CG2 4.41Å; V30-V146 PolarHBondContact N-O 3.06Å; V146-M310 WeakPolarHBondContact CA-O 3.38Å; V146-M310 HydrophobicContact CG1-CB 4.36Å; V146-M310 HydrophobicContact CG1-SD 4.41Å; V146-M310 HydrophobicContact CG2-CB 4.15Å; V146-M310 HydrophobicContact CG2-SD 4.3Å; V146-L328 HydrophobicContact CB-CD2 4.47Å; V146-L328 HydrophobicContact CG1-CD1 4.43Å; V146-L328 HydrophobicContact CG1-CD2 3.9Å; V146-L328 HydrophobicContact CG2-CD2 3.86Å; V146-L337 HydrophobicContact CG2-CD1 3.63Å; V146-L337 HydrophobicContact CG2-CD2 3.84Å; V146-L337 HydrophobicContact CG2-CG 4.43Å
147N98.2Very high96.8Very high0 Ų013.5 Ų13.50%07%0.071CC..EExtended strand (participates in β ladder)trans-84.1119.6156.4-176.722.6000107.1V30 Y35 Q128 T132 A135 G149 M310 V311V30-N147 PolarHBondContact O-OD1 3.29Å; Y35-N147 VanDerWaalsContact CE2-OD1 3.26Å; Y35-N147 WeakPolarHBondContact CE2-OD1 3.39Å; Y35-N147 PolarHBondContact OH-OD1 3.29Å; Q128-N147 PolarHBondContact O-ND2 3.49Å; T132-N147 PolarHBondContact N-ND2 2.81Å; T132-N147 PolarHBondContact OG1-ND2 3.46Å; A135-N147 HydrophobicContact CB-CB 3.93Å; N147-G149 PolarHBondContact ND2-O 3.34Å; N147-G149 PolarHBondContact O-N 3.46Å; N147-G149 VanDerWaalsContact O-N 3.11Å; N147-G149 VanDerWaalsContact O-O 3.06Å; N147-M310 PolarHBondContact N-O 3.39Å; N147-V311 HydrophobicContact CB-CG1 4.18Å
148I97.8Very high96.9Very high0 Ų015 Ų150%09%0.088CC..SBendtrans-60.8-26.2-179-66-170.9000110.6V30 Y31 W53 I56 C57 T312V30-I148 PolarHBondContact O-N 3.09Å; Y31-I148 HydrophobicContact CD2-CB 4.06Å; Y31-I148 HydrophobicContact CD2-CD1 4.31Å; Y31-I148 HydrophobicContact CD2-CG2 4.1Å; Y31-I148 HydrophobicContact CG-CD1 4.12Å; W53-I148 HydrophobicContact CB-CG2 3.98Å; I56-I148 HydrophobicContact CB-CG2 4.08Å; I56-I148 HydrophobicContact CD1-CG2 4.16Å; I56-I148 HydrophobicContact CG2-CG2 4.08Å; C57-I148 HydrophobicContact CB-CD1 3.9Å; I148-T312 WeakPolarHBondContact O-CB 3.47Å; I148-T312 WeakPolarHBondContact O-CG2 3.18Å; I148-T312 PolarHBondContact O-OG1 3.46Å
149G97.6Very high97.1Very high0 Ų023.9 Ų23.90%012%0.121CC..SBendtrans-110.3-152.6172.700000114.1W53 N147W53-G149 VanDerWaalsContact CD1-CA 3.48Å; W53-G149 VanDerWaalsContact NE1-CA 3.33Å; N147-G149 PolarHBondContact ND2-O 3.34Å; N147-G149 PolarHBondContact O-N 3.46Å; N147-G149 VanDerWaalsContact O-N 3.11Å; N147-G149 VanDerWaalsContact O-O 3.06Å
150G98.3Very high97.2Very high1 Ų124.3 Ų24.31%0.0113%0.125CC..  trans73.7-161.4-17900000113.4D168 S313G150-D168 WeakPolarHBondContact CA-OD2 3.37Å; G150-S313 WeakPolarHBondContact O-CA 3.26Å; G150-S313 PolarHBondContact O-N 2.99Å; G150-S313 VanDerWaalsContact O-N 3.15Å
151G98.6Very high97.3Very high0 Ų022.8 Ų22.80%012%0.119CC..  trans83.339-174.700000112.3H153 D168 V311 S313G151-H153 PolarHBondContact O-N 3.27Å; G151-D168 PolarHBondContact N-OD2 2.98Å; G151-V311 VanDerWaalsContact CA-CG2 3.46Å; G151-S313 VanDerWaalsContact O-CB 3.25Å; G151-S313 WeakPolarHBondContact O-CB 3.48Å; G151-S313 PolarHBondContact O-OG 3.27Å
152F98.4Very high97.5Very high13 Ų1319.5 Ų19.56%0.05711%0.106CC..  trans-80.458.1-173.8-58-37.5000112F125 Q128 H154 C155 C164 Y166 D168F125-F152 HydrophobicContact CB-CE2 4.32Å; F125-F152 HydrophobicContact CD1-CD1 4.22Å; F125-F152 HydrophobicContact CD1-CD2 4.35Å; F125-F152 AromaticContact CD1-CE1 3.6Å; F125-F152 HydrophobicContact CD1-CE1 3.6Å; F125-F152 AromaticContact CD1-CE2 3.75Å; F125-F152 HydrophobicContact CD1-CE2 3.75Å; F125-F152 AromaticContact CD1-CZ 3.35Å; F125-F152 HydrophobicContact CD1-CZ 3.35Å; F125-F152 HydrophobicContact CE1-CD1 4.28Å; F125-F152 AromaticContact CE1-CE1 3.73Å; F125-F152 HydrophobicContact CE1-CE1 3.73Å; F125-F152 AromaticContact CE1-CZ 3.96Å; F125-F152 HydrophobicContact CE1-CZ 3.96Å; F125-F152 HydrophobicContact CG-CZ 4.35Å; Q128-F152 HydrophobicContact CB-CE2 3.88Å; Q128-F152 HydrophobicContact CB-CZ 3.67Å; Q128-F152 HydrophobicContact CG-CZ 4.35Å; F152-H154 PolarHBondContact O-N 3.04Å; F152-H154 VanDerWaalsContact O-N 3.11Å; F152-C155 PolarHBondContact O-N 3.28Å; F152-C155 VanDerWaalsContact O-N 3.09Å; F152-C164 WeakPolarHBondContact CA-SG 3.32Å; F152-C164 HydrophobicContact CB-CB 3.77Å; F152-Y166 WeakPolarHBondContact CB-O 3.46Å; F152-Y166 WeakPolarHBondContact CD2-O 3.26Å; F152-D168 WeakPolarHBondContact CB-OD1 3.39Å; F152-D168 HydrophobicContact CD2-CB 4.01Å; F152-D168 PolarHBondContact N-OD1 3.2Å
153H98.7Very high97.5Very high2 Ų217.6 Ų17.61%0.00910%0.095CC..THydrogen-bonded Turntrans-66.3-14-166.772.2162.6000115.2G151 I169 D189 D191 H193 G195 G197 N267G151-H153 PolarHBondContact O-N 3.27Å; H153-I169 HydrophobicContact CB-CD1 4.26Å; H153-D189 WeakPolarHBondContact CB-OD2 3.45Å; H153-D189 IonicContact CG-OD2 3.55Å; H153-D189 IonicContact ND1-OD1 3.57Å; H153-D189 IonicContact ND1-OD2 2.94Å; H153-D189 PolarHBondContact ND1-OD2 2.87Å; H153-D191 VanDerWaalsContact CE1-CB 3.46Å; H153-D191 WeakPolarHBondContact CE1-CB 3.4Å; H153-D191 IonicContact CE1-OD1 3.24Å; H153-D191 PolarHBondContact CE1-OD1 2.75Å; H153-D191 VanDerWaalsContact CE1-OD1 3.24Å; H153-D191 IonicContact CE1-OD2 3.89Å; H153-D191 IonicContact NE2-OD1 3.62Å; H153-D191 IonicContact NE2-OD2 3.99Å; H153-H193 PolarHBondContact CE1-O 3.12Å; H153-G195 WeakPolarHBondContact ND1-CA 3.3Å; H153-G195 CarbonylContact O-C 3.46Å; H153-G197 WeakPolarHBondContact O-CA 3.31Å; H153-G197 PolarHBondContact O-N 2.84Å; H153-N267 PolarHBondContact ND1-ND2 2.89Å
154H98.6Very high97.7Very high8 Ų817.5 Ų17.54%0.0379%0.093CC..THydrogen-bonded Turntrans-86-10.8175.8-68-47.4000113.7F152 G161 G162 C164 Q194 N196 Y219F152-H154 PolarHBondContact O-N 3.04Å; F152-H154 VanDerWaalsContact O-N 3.11Å; H154-G161 WeakPolarHBondContact CB-O 3.45Å; H154-G162 PolarHBondContact CD2-O 2.77Å; H154-C164 HydrophobicContact CB-CB 3.9Å; H154-Q194 PolarHBondContact CE1-O 3.01Å; H154-Q194 VanDerWaalsContact CE1-O 3.26Å; H154-Q194 PolarHBondContact ND1-O 3.19Å; H154-N196 WeakPolarHBondContact CA-OD1 3.32Å; H154-N196 PolarHBondContact ND1-OD1 3.32Å; H154-Y219 AromaticContact CD2-CE1 3.82Å; H154-Y219 AromaticContact CE1-CD1 3.72Å; H154-Y219 AromaticContact CE1-CE1 3.51Å; H154-Y219 AromaticContact CG-CE1 3.87Å; H154-Y219 AromaticContact ND1-CE1 3.67Å; H154-Y219 AromaticContact NE2-CD1 3.68Å; H154-Y219 AromaticContact NE2-CE1 3.53Å
155C98.7Very high97.7Very high1 Ų117.3 Ų17.31%0.0079%0.092CC..  trans-90.5124.8176.2-165.80000110.8Y90 F152 R159 C164 P165 Y166 A167 G197Y90-C155 PolarHBondContact OH-SG 3.07Å; F152-C155 PolarHBondContact O-N 3.28Å; F152-C155 VanDerWaalsContact O-N 3.09Å; C155-R159 CarbonylContact C-O 3.53Å; C155-R159 WeakPolarHBondContact CA-O 3.46Å; C155-C164 HydrophobicContact CB-CB 3.83Å; C155-C164 WeakPolarHBondContact CB-O 3.4Å; C155-P165 VanDerWaalsContact SG-C 3.6Å; C155-Y166 VanDerWaalsContact CB-C 3.49Å; C155-Y166 VanDerWaalsContact SG-C 3.53Å; C155-A167 HydrophobicContact CB-CB 4.27Å; C155-A167 WeakPolarHBondContact O-CB 3.26Å; C155-G197 WeakPolarHBondContact O-CA 3.26Å
156S98.6Very high97.8Very high8 Ų817.6 Ų17.66%0.0569%0.092CC..  trans-95.3177.4165.167.30000111.1H86 S158 R159 G197 D201H86-S156 PolarHBondContact CE1-O 2.96Å; H86-S156 PolarHBondContact ND1-O 3.36Å; S156-S158 PolarHBondContact O-N 2.77Å; S156-S158 PolarHBondContact OG-N 2.89Å; S156-R159 PolarHBondContact N-O 3.21Å; S156-R159 PolarHBondContact OG-N 3.08Å; S156-R159 PolarHBondContact OG-O 2.86Å; S156-G197 WeakPolarHBondContact CB-O 3.37Å; S156-D201 WeakPolarHBondContact CA-OD2 3.19Å; S156-D201 WeakPolarHBondContact CB-OD1 3.49Å
157A98Very high97.8Very high17 Ų1717.6 Ų17.614%0.149%0.093CC..SBendtrans-53.8-27172.700000114V85 H86 T87 D201V85-A157 HydrophobicContact CG1-CB 3.65Å; V85-A157 WeakPolarHBondContact O-CB 3.12Å; H86-A157 WeakPolarHBondContact CA-O 3.43Å; H86-A157 PolarHBondContact ND1-O 2.92Å; T87-A157 PolarHBondContact N-O 3.17Å; A157-D201 VanDerWaalsContact CB-OD1 3.26Å; A157-D201 WeakPolarHBondContact CB-OD1 3.2Å; A157-D201 VanDerWaalsContact N-CG 3.33Å; A157-D201 PolarHBondContact N-OD1 3.25Å; A157-D201 PolarHBondContact N-OD2 2.85Å
158S97.9Very high97.9Very high71 Ų7117.6 Ų17.650%0.4979%0.093SC..SBendtrans-120.6-7.2-171.365.20000115Y90 S156Y90-S158 VanDerWaalsContact CD2-O 3.27Å; Y90-S158 WeakPolarHBondContact CD2-O 3.44Å; S156-S158 PolarHBondContact O-N 2.77Å; S156-S158 PolarHBondContact OG-N 2.89Å
159R97.9Very high97.9Very high189 Ų18917.8 Ų17.871%0.7139%0.094SC*.  trans-153.9132.2-175.1-177.4175.9-179-176.20.4111.1C155 S156C155-R159 CarbonylContact C-O 3.53Å; C155-R159 WeakPolarHBondContact CA-O 3.46Å; S156-R159 PolarHBondContact N-O 3.21Å; S156-R159 PolarHBondContact OG-N 3.08Å; S156-R159 PolarHBondContact OG-O 2.86Å
160G97.9Very high98Very high9 Ų917.9 Ų17.99%0.0939%0.094CC..  trans-95.8164.2165.300000111.2Y90 C164Y90-G160 WeakPolarHBondContact OH-CA 3.26Å; Y90-G160 PolarHBondContact OH-N 3Å; G160-C164 WeakPolarHBondContact CA-O 3.08Å
161G97.1Very high98Very high10 Ų1017.9 Ų17.910%0.1039%0.094CC..BIsolated β-bridgetrans178.4169179.900000110H154 F163 C164H154-G161 WeakPolarHBondContact CB-O 3.45Å; G161-F163 VanDerWaalsContact C-N 3.32Å; G161-F163 PolarHBondContact O-N 3.02Å; G161-C164 PolarHBondContact N-O 3.17Å; G161-C164 WeakPolarHBondContact O-CA 3.42Å; G161-C164 VanDerWaalsContact O-CB 3.24Å; G161-C164 WeakPolarHBondContact O-CB 3.48Å; G161-C164 PolarHBondContact O-N 3.37Å
162G95.1Very high97.9Very high5 Ų517.9 Ų17.95%0.0529%0.094CC..THydrogen-bonded Turntrans49.649.717500000113.2H154 C164 Y219H154-G162 PolarHBondContact CD2-O 2.77Å; G162-C164 PolarHBondContact O-N 3.16Å; G162-C164 VanDerWaalsContact O-N 3.1Å; G162-C164 PolarHBondContact O-SG 3.45Å; G162-Y219 PolarHBondContact N-OH 3.2Å
163F94.5Very high97.9Very high23 Ų2317.3 Ų17.310%0.1019%0.092CC..THydrogen-bonded Turntrans67.75.6-178.8-35.3-47.5000116H46 P47 I103 E105 F125 G161 P165 L278 Y316H46-F163 AromaticContact CE1-CD1 3.37Å; H46-F163 WeakPolarHBondContact CE1-CD1 3.25Å; H46-F163 AromaticContact CE1-CE1 3.33Å; H46-F163 WeakPolarHBondContact CE1-CE1 3.28Å; H46-F163 AromaticContact CE1-CG 3.81Å; H46-F163 AromaticContact CE1-CZ 3.71Å; H46-F163 AromaticContact NE2-CD1 3.21Å; H46-F163 WeakPolarHBondContact NE2-CD1 3.42Å; H46-F163 AromaticContact NE2-CE1 2.98Å; H46-F163 WeakPolarHBondContact NE2-CE1 3.44Å; H46-F163 AromaticContact NE2-CZ 3.72Å; P47-F163 HydrophobicContact CG-CZ 4.35Å; I103-F163 VanDerWaalsContact O-CA 3.28Å; I103-F163 WeakPolarHBondContact O-CA 3.28Å; I103-F163 PolarHBondContact O-N 3.22Å; E105-F163 HydrophobicContact CB-CD1 4.39Å; E105-F163 HydrophobicContact CB-CE1 3.82Å; E105-F163 HydrophobicContact CG-CD1 4.14Å; E105-F163 HydrophobicContact CG-CE1 3.73Å; E105-F163 WeakPolarHBondContact OE2-CE1 3.47Å; F125-F163 VanDerWaalsContact CE1-O 3.28Å; F125-F163 WeakPolarHBondContact CE1-O 3.48Å; F125-F163 WeakPolarHBondContact CZ-O 3.29Å; G161-F163 VanDerWaalsContact C-N 3.32Å; G161-F163 PolarHBondContact O-N 3.02Å; F163-P165 VanDerWaalsContact O-CD 3.24Å; F163-P165 WeakPolarHBondContact O-CD 3.34Å; F163-L278 HydrophobicContact CE2-CD1 4.21Å; F163-L278 HydrophobicContact CZ-CD1 4.38Å; F163-Y316 AromaticContact CD2-CE1 3.76Å; F163-Y316 HydrophobicContact CD2-CE1 3.76Å; F163-Y316 HydrophobicContact CE2-CD1 4.39Å; F163-Y316 AromaticContact CE2-CE1 3.42Å; F163-Y316 HydrophobicContact CE2-CE1 3.42Å; F163-Y316 VanDerWaalsContact CE2-CE1 3.42Å; F163-Y316 AromaticContact CE2-CZ 3.84Å
164C97.7Very high97.9Very high7 Ų719.9 Ų19.95%0.04710%0.103CC..BIsolated β-bridgetrans-108.1102.7-173.9-620000111.6F152 H154 C155 G160 G161 G162F152-C164 WeakPolarHBondContact CA-SG 3.32Å; F152-C164 HydrophobicContact CB-CB 3.77Å; H154-C164 HydrophobicContact CB-CB 3.9Å; C155-C164 HydrophobicContact CB-CB 3.83Å; C155-C164 WeakPolarHBondContact CB-O 3.4Å; G160-C164 WeakPolarHBondContact CA-O 3.08Å; G161-C164 PolarHBondContact N-O 3.17Å; G161-C164 WeakPolarHBondContact O-CA 3.42Å; G161-C164 VanDerWaalsContact O-CB 3.24Å; G161-C164 WeakPolarHBondContact O-CB 3.48Å; G161-C164 PolarHBondContact O-N 3.37Å; G162-C164 PolarHBondContact O-N 3.16Å; G162-C164 VanDerWaalsContact O-N 3.1Å; G162-C164 PolarHBondContact O-SG 3.45Å
165P97.7Very high97.8Very high0 Ų019.5 Ų19.50%010%0.101CC..  trans-93.5-8.2179.235.3-36.4000115.1Y90 I103 L122 F125 C155 F163Y90-P165 PolarHBondContact OH-O 3.45Å; I103-P165 HydrophobicContact CG2-CB 3.97Å; L122-P165 HydrophobicContact CD2-CB 3.96Å; L122-P165 HydrophobicContact CD2-CG 4.18Å; F125-P165 HydrophobicContact CB-CG 3.65Å; F125-P165 VanDerWaalsContact CD1-CD 3.45Å; F125-P165 HydrophobicContact CD1-CG 3.57Å; F125-P165 HydrophobicContact CD2-CG 3.75Å; F125-P165 HydrophobicContact CE1-CG 4.12Å; F125-P165 HydrophobicContact CE2-CG 4.25Å; F125-P165 HydrophobicContact CG-CG 3.39Å; F125-P165 HydrophobicContact CZ-CG 4.43Å; C155-P165 VanDerWaalsContact SG-C 3.6Å; F163-P165 VanDerWaalsContact O-CD 3.24Å; F163-P165 WeakPolarHBondContact O-CD 3.34Å
166Y98.7Very high97.7Very high5 Ų519.5 Ų19.52%0.0210%0.101CC..SBendtrans-142.9139.9178.9-59-65.3000110.2L82 L91 L94 L122 F125 R126 F152 C155 D168L82-Y166 HydrophobicContact CD1-CD1 3.85Å; L82-Y166 HydrophobicContact CD1-CE1 3.52Å; L82-Y166 HydrophobicContact CD2-CD1 3.67Å; L82-Y166 HydrophobicContact CD2-CE1 4.24Å; L82-Y166 HydrophobicContact CD2-CG 4.09Å; L82-Y166 HydrophobicContact CG-CD1 4.38Å; L91-Y166 HydrophobicContact CD2-CD1 4.5Å; L91-Y166 HydrophobicContact CD2-CE1 4.16Å; L94-Y166 HydrophobicContact CD1-CD1 4.42Å; L94-Y166 HydrophobicContact CD1-CE1 3.54Å; L122-Y166 HydrophobicContact CB-CE2 4.28Å; F125-Y166 HydrophobicContact CB-CD2 3.72Å; F125-Y166 HydrophobicContact CB-CE2 3.91Å; R126-Y166 HydrophobicContact CB-CE2 4.44Å; R126-Y166 HydrophobicContact CG-CD2 3.85Å; R126-Y166 HydrophobicContact CG-CE1 4.26Å; R126-Y166 HydrophobicContact CG-CE2 3.31Å; R126-Y166 PolarHBondContact NH1-OH 3.41Å; F152-Y166 WeakPolarHBondContact CB-O 3.46Å; F152-Y166 WeakPolarHBondContact CD2-O 3.26Å; C155-Y166 VanDerWaalsContact CB-C 3.49Å; C155-Y166 VanDerWaalsContact SG-C 3.53Å; Y166-D168 VanDerWaalsContact C-N 3.33Å; Y166-D168 PolarHBondContact O-N 2.87Å; Y166-D168 VanDerWaalsContact O-N 3.08Å
167A98.6Very high97.6Very high1 Ų121 Ų211%0.00811%0.106CC..  trans-86.471.2-176.300000109.8H86 C155 I169 T170 L171H86-A167 PolarHBondContact CE1-N 2.79Å; H86-A167 PolarHBondContact NE2-N 2.82Å; C155-A167 HydrophobicContact CB-CB 4.27Å; C155-A167 WeakPolarHBondContact O-CB 3.26Å; A167-I169 PolarHBondContact O-N 3.01Å; A167-T170 PolarHBondContact O-N 3.43Å; A167-L171 WeakPolarHBondContact O-CB 3.28Å; A167-L171 WeakPolarHBondContact O-CG 3.37Å; A167-L171 PolarHBondContact O-N 3.18Å
168D98.7Very high97.5Very high0 Ų022 Ų220%011%0.109CC..Hα-helixtrans-65.8-38.2-171.470.6-36.4000113.7T129 T132 G150 G151 F152 Y166 L171 S172T129-D168 HydrophobicContact CG2-CB 3.89Å; T132-D168 WeakPolarHBondContact CB-OD2 3.43Å; T132-D168 HydrophobicContact CG2-CB 4.28Å; T132-D168 PolarHBondContact OG1-OD2 3.49Å; G150-D168 WeakPolarHBondContact CA-OD2 3.37Å; G151-D168 PolarHBondContact N-OD2 2.98Å; F152-D168 WeakPolarHBondContact CB-OD1 3.39Å; F152-D168 HydrophobicContact CD2-CB 4.01Å; F152-D168 PolarHBondContact N-OD1 3.2Å; Y166-D168 VanDerWaalsContact C-N 3.33Å; Y166-D168 PolarHBondContact O-N 2.87Å; Y166-D168 VanDerWaalsContact O-N 3.08Å; D168-L171 PolarHBondContact O-N 2.97Å; D168-S172 WeakPolarHBondContact O-CB 3.34Å; D168-S172 PolarHBondContact O-N 3.34Å; D168-S172 PolarHBondContact O-OG 3.28Å
169I98.9Very high97.3Very high3 Ų320.3 Ų20.32%0.0159%0.094CC..Hα-helixtrans-62.3-49173.2-64.3171.9000110.6H153 A167 L171 S172 L173 I187 H198 V265 N267H153-I169 HydrophobicContact CB-CD1 4.26Å; A167-I169 PolarHBondContact O-N 3.01Å; I169-L171 VanDerWaalsContact C-N 3.34Å; I169-L171 PolarHBondContact O-N 3.35Å; I169-S172 PolarHBondContact O-N 2.96Å; I169-S172 PolarHBondContact O-OG 3.24Å; I169-L173 PolarHBondContact O-N 2.61Å; I169-L173 VanDerWaalsContact O-N 3.13Å; I169-I187 HydrophobicContact CG2-CD1 3.86Å; I169-I187 HydrophobicContact CG2-CG1 4.3Å; I169-H198 HydrophobicContact CG2-CB 4.29Å; I169-V265 HydrophobicContact CD1-CG1 4.47Å; I169-V265 HydrophobicContact CG1-CG1 4.09Å; I169-V265 HydrophobicContact CG2-CB 4.49Å; I169-V265 HydrophobicContact CG2-CG1 4.01Å; I169-N267 HydrophobicContact CD1-CB 4.32Å
170T98.7Very high97.2Very high3 Ų319.7 Ų19.72%0.01810%0.1CC..Hα-helixtrans-61.5-45.4177.6-53.20000110.9V85 A167 K174 D201 F202V85-T170 HydrophobicContact CB-CG2 4.47Å; V85-T170 HydrophobicContact CG1-CG2 3.55Å; V85-T170 HydrophobicContact CG2-CG2 4.05Å; A167-T170 PolarHBondContact O-N 3.43Å; T170-K174 HydrophobicContact CG2-CG 4.24Å; T170-K174 WeakPolarHBondContact O-CB 3.21Å; T170-K174 VanDerWaalsContact O-CG 3.28Å; T170-K174 WeakPolarHBondContact O-CG 3.26Å; T170-K174 PolarHBondContact O-N 3.47Å; T170-D201 WeakPolarHBondContact CB-OD2 3.37Å; T170-D201 HydrophobicContact CG2-CB 3.66Å; T170-D201 VanDerWaalsContact CG2-OD2 3.28Å; T170-D201 WeakPolarHBondContact CG2-OD2 3.18Å; T170-D201 PolarHBondContact OG1-OD2 3.1Å; T170-F202 HydrophobicContact CG2-CE2 3.91Å; T170-F202 HydrophobicContact CG2-CZ 3.82Å
171L98.3Very high97.1Very high1 Ų122.5 Ų22.51%0.00511%0.112CC..Hα-helixtrans-58.9-52.3177.6-82.9163000110.9D81 L82 V84 V85 T129 I133 A167 D168 I169 L173 K174 F175D81-L171 WeakPolarHBondContact O-CD2 3.27Å; L82-L171 HydrophobicContact CD2-CD1 3.75Å; V84-L171 HydrophobicContact CB-CD2 4.18Å; V85-L171 HydrophobicContact CB-CD2 3.64Å; V85-L171 HydrophobicContact CB-CG 3.91Å; V85-L171 HydrophobicContact CG2-CD2 3.66Å; V85-L171 HydrophobicContact CG2-CG 3.99Å; T129-L171 HydrophobicContact CG2-CD1 3.61Å; I133-L171 HydrophobicContact CD1-CB 4.19Å; A167-L171 WeakPolarHBondContact O-CB 3.28Å; A167-L171 WeakPolarHBondContact O-CG 3.37Å; A167-L171 PolarHBondContact O-N 3.18Å; D168-L171 PolarHBondContact O-N 2.97Å; I169-L171 VanDerWaalsContact C-N 3.34Å; I169-L171 PolarHBondContact O-N 3.35Å; L171-L173 VanDerWaalsContact C-N 3.35Å; L171-L173 PolarHBondContact O-N 2.97Å; L171-K174 PolarHBondContact O-N 3.35Å; L171-F175 HydrophobicContact CD2-CE2 4.27Å; L171-F175 VanDerWaalsContact O-CD2 3.28Å; L171-F175 WeakPolarHBondContact O-CD2 3.38Å; L171-F175 PolarHBondContact O-N 3.2Å
172S98.3Very high97.1Very high0 Ų022.4 Ų22.40%011%0.109CC..Hα-helixtrans-55.6-50.2-178.470.90000111.3S136 D168 I169 K174 F175 L176S136-S172 WeakPolarHBondContact OG-CB 2.75Å; D168-S172 WeakPolarHBondContact O-CB 3.34Å; D168-S172 PolarHBondContact O-N 3.34Å; D168-S172 PolarHBondContact O-OG 3.28Å; I169-S172 PolarHBondContact O-N 2.96Å; I169-S172 PolarHBondContact O-OG 3.24Å; S172-K174 PolarHBondContact O-N 3.04Å; S172-F175 WeakPolarHBondContact O-CB 3.47Å; S172-F175 PolarHBondContact O-N 3.07Å; S172-L176 WeakPolarHBondContact O-CG 3.27Å; S172-L176 PolarHBondContact O-N 2.88Å; S172-L176 VanDerWaalsContact O-N 3.11Å
173L98.5Very high97.3Very high0 Ų026.1 Ų26.10%013%0.134CC..Hα-helixtrans-62.1-43.7178.2-69.7-175.5000112.9I169 L171 F175 L176 F177 I182 A185 I187 F202 I263 V265I169-L173 PolarHBondContact O-N 2.61Å; I169-L173 VanDerWaalsContact O-N 3.13Å; L171-L173 VanDerWaalsContact C-N 3.35Å; L171-L173 PolarHBondContact O-N 2.97Å; L173-F175 VanDerWaalsContact C-N 3.28Å; L173-F175 PolarHBondContact O-N 2.85Å; L173-L176 HydrophobicContact CD2-CD1 4.18Å; L173-L176 WeakPolarHBondContact O-CB 3.49Å; L173-L176 PolarHBondContact O-N 3.27Å; L173-L176 VanDerWaalsContact O-N 3.08Å; L173-F177 HydrophobicContact CB-CD2 4.31Å; L173-F177 HydrophobicContact CB-CE2 4.05Å; L173-F177 WeakPolarHBondContact O-CD2 3.22Å; L173-F177 PolarHBondContact O-N 3.39Å; L173-I182 HydrophobicContact CD2-CD1 4.32Å; L173-A185 HydrophobicContact CD1-CB 3.97Å; L173-A185 HydrophobicContact CD2-CB 3.53Å; L173-A185 HydrophobicContact CG-CB 4.35Å; L173-I187 HydrophobicContact CD1-CD1 3.87Å; L173-I187 HydrophobicContact CD1-CG1 3.88Å; L173-F202 HydrophobicContact CB-CZ 3.92Å; L173-F202 HydrophobicContact CD1-CE2 3.98Å; L173-F202 HydrophobicContact CD1-CZ 3.94Å; L173-I263 HydrophobicContact CD2-CG2 4.26Å; L173-V265 HydrophobicContact CD1-CG2 4.32Å; L173-V265 HydrophobicContact CD2-CG2 3.63Å; L173-V265 HydrophobicContact CG-CG2 3.98Å
174K97.4Very high97.5Very high57 Ų5729.2 Ų29.225%0.24815%0.148CC..Hα-helixtrans-63.8-34.6177.3-69.4-64.4-174.9-164.70111.9V85 T170 L171 S172 I178 F202 D205V85-K174 HydrophobicContact CG2-CB 3.78Å; V85-K174 HydrophobicContact CG2-CG 3.68Å; T170-K174 HydrophobicContact CG2-CG 4.24Å; T170-K174 WeakPolarHBondContact O-CB 3.21Å; T170-K174 VanDerWaalsContact O-CG 3.28Å; T170-K174 WeakPolarHBondContact O-CG 3.26Å; T170-K174 PolarHBondContact O-N 3.47Å; L171-K174 PolarHBondContact O-N 3.35Å; S172-K174 PolarHBondContact O-N 3.04Å; K174-I178 VanDerWaalsContact O-CB 3.28Å; K174-I178 WeakPolarHBondContact O-CB 3.5Å; K174-I178 WeakPolarHBondContact O-CD1 3.38Å; K174-I178 WeakPolarHBondContact O-CG1 3.44Å; K174-I178 PolarHBondContact O-N 3.13Å; K174-F202 HydrophobicContact CD-CE1 4.3Å; K174-D205 IonicContact NZ-OD2 3.86Å; K174-D205 PolarHBondContact NZ-OD2 3.17Å; K174-D205 VanDerWaalsContact NZ-OD2 3.16Å
175F96.4Very high97.5Very high0 Ų028.9 Ų28.90%015%0.145CC..Hα-helixtrans-61-42.5170.9-93.8-89.6000112C12 S15 Y18 D81 V84 I133 L171 S172 L173 N179C12-F175 HydrophobicContact CB-CD1 4.43Å; C12-F175 HydrophobicContact CB-CE1 4.19Å; C12-F175 WeakPolarHBondContact SG-CD1 3.23Å; S15-F175 VanDerWaalsContact CB-CE1 3.4Å; Y18-F175 HydrophobicContact CD2-CB 4.24Å; Y18-F175 HydrophobicContact CE2-CB 4.47Å; Y18-F175 HydrophobicContact CG-CD1 4.4Å; D81-F175 HydrophobicContact CB-CZ 4.36Å; V84-F175 HydrophobicContact CB-CE2 4.13Å; V84-F175 HydrophobicContact CG1-CD2 4.48Å; V84-F175 HydrophobicContact CG1-CE2 4.28Å; V84-F175 HydrophobicContact CG2-CE2 3.94Å; V84-F175 HydrophobicContact CG2-CZ 3.9Å; I133-F175 HydrophobicContact CD1-CD2 4.08Å; I133-F175 HydrophobicContact CD1-CE2 4.04Å; I133-F175 HydrophobicContact CG1-CD2 4.45Å; I133-F175 HydrophobicContact CG2-CG 4.32Å; L171-F175 HydrophobicContact CD2-CE2 4.27Å; L171-F175 VanDerWaalsContact O-CD2 3.28Å; L171-F175 WeakPolarHBondContact O-CD2 3.38Å; L171-F175 PolarHBondContact O-N 3.2Å; S172-F175 WeakPolarHBondContact O-CB 3.47Å; S172-F175 PolarHBondContact O-N 3.07Å; L173-F175 VanDerWaalsContact C-N 3.28Å; L173-F175 PolarHBondContact O-N 2.85Å; F175-N179 WeakPolarHBondContact O-CB 3.48Å; F175-N179 PolarHBondContact O-N 3.43Å; F175-N179 PolarHBondContact O-ND2 3.23Å
176L96.5Very high97.6Very high0 Ų028.9 Ų28.90%015%0.145CC..Hα-helixtrans-64.7-49.1176.7-54.5-174.1000112Y18 L140 S172 L173 N179 Q180 L181 I182 I263Y18-L176 HydrophobicContact CE2-CD2 3.39Å; Y18-L176 WeakPolarHBondContact OH-CD2 3.45Å; L140-L176 HydrophobicContact CD1-CD1 4.27Å; L140-L176 HydrophobicContact CD1-CD2 3.75Å; S172-L176 WeakPolarHBondContact O-CG 3.27Å; S172-L176 PolarHBondContact O-N 2.88Å; S172-L176 VanDerWaalsContact O-N 3.11Å; L173-L176 HydrophobicContact CD2-CD1 4.18Å; L173-L176 WeakPolarHBondContact O-CB 3.49Å; L173-L176 PolarHBondContact O-N 3.27Å; L173-L176 VanDerWaalsContact O-N 3.08Å; L176-N179 PolarHBondContact O-N 2.55Å; L176-Q180 PolarHBondContact O-N 2.98Å; L176-L181 PolarHBondContact O-N 3.41Å; L176-I182 HydrophobicContact CB-CD1 3.52Å; L176-I182 HydrophobicContact CB-CG1 3.6Å; L176-I182 HydrophobicContact CB-CG2 4.43Å; L176-I182 HydrophobicContact CD1-CD1 3.71Å; L176-I182 HydrophobicContact CD1-CG1 4.48Å; L176-I182 HydrophobicContact CD1-CG2 4.36Å; L176-I182 HydrophobicContact CG-CD1 4.21Å; L176-I263 HydrophobicContact CD1-CD1 3.72Å; L176-I263 HydrophobicContact CD1-CG2 3.87Å
177F97.2Very high97.6Very high40 Ų4028.6 Ų28.618%0.17515%0.145CC..Hα-helixtrans-63.1-47.1-179.5-71.4-56.4000112.3L173 N179 Q180 I182 S183 A185 F202 N207 V208L173-F177 HydrophobicContact CB-CD2 4.31Å; L173-F177 HydrophobicContact CB-CE2 4.05Å; L173-F177 WeakPolarHBondContact O-CD2 3.22Å; L173-F177 PolarHBondContact O-N 3.39Å; F177-N179 PolarHBondContact O-N 3.37Å; F177-Q180 PolarHBondContact O-N 2.88Å; F177-I182 HydrophobicContact CD1-CD1 3.98Å; F177-I182 HydrophobicContact CD1-CG1 3.61Å; F177-I182 HydrophobicContact CE1-CD1 3.69Å; F177-I182 HydrophobicContact CE1-CG1 3.66Å; F177-I182 HydrophobicContact CE2-CD1 4.32Å; F177-I182 HydrophobicContact CG-CD1 4.4Å; F177-I182 HydrophobicContact CG-CG1 4.26Å; F177-I182 HydrophobicContact CZ-CD1 3.87Å; F177-I182 HydrophobicContact CZ-CG1 4.36Å; F177-S183 WeakPolarHBondContact CE1-O 3.23Å; F177-A185 HydrophobicContact CE2-CB 4.4Å; F177-A185 HydrophobicContact CZ-CB 3.85Å; F177-F202 HydrophobicContact CE2-CE1 4.49Å; F177-N207 HydrophobicContact CE1-CB 4.3Å; F177-N207 HydrophobicContact CZ-CB 4.35Å; F177-V208 HydrophobicContact CE2-CG2 3.8Å; F177-V208 HydrophobicContact CZ-CG2 3.85Å
178I95.4Very high97.6Very high38 Ų3828.6 Ų28.620%0.19514%0.144CC..Hα-helixtrans-63-33.7179.7-71.5167.8000111.4I9 C12 V84 K174 Q180I9-I178 HydrophobicContact CB-CG2 4.37Å; I9-I178 HydrophobicContact CG1-CG2 4.07Å; I9-I178 HydrophobicContact CG2-CG2 4.43Å; C12-I178 HydrophobicContact CB-CB 4.36Å; C12-I178 HydrophobicContact CB-CD1 4.17Å; C12-I178 HydrophobicContact CB-CG2 3.66Å; C12-I178 VanDerWaalsContact SG-CG2 3.52Å; V84-I178 HydrophobicContact CG1-CD1 3.71Å; K174-I178 VanDerWaalsContact O-CB 3.28Å; K174-I178 WeakPolarHBondContact O-CB 3.5Å; K174-I178 WeakPolarHBondContact O-CD1 3.38Å; K174-I178 WeakPolarHBondContact O-CG1 3.44Å; K174-I178 PolarHBondContact O-N 3.13Å; I178-Q180 PolarHBondContact O-N 3.22Å
179N93.6Very high97.6Very high35 Ų3528.6 Ų28.619%0.18714%0.144CC..THydrogen-bonded Turntrans-82.31.2175.2-75.4-64.8000114C12 K13 F175 L176 F177 L181C12-N179 PolarHBondContact SG-ND2 3.01Å; K13-N179 WeakPolarHBondContact CE-OD1 3.44Å; K13-N179 PolarHBondContact NZ-OD1 3.48Å; F175-N179 WeakPolarHBondContact O-CB 3.48Å; F175-N179 PolarHBondContact O-N 3.43Å; F175-N179 PolarHBondContact O-ND2 3.23Å; L176-N179 PolarHBondContact O-N 2.55Å; F177-N179 PolarHBondContact O-N 3.37Å; N179-L181 HydrophobicContact CB-CD1 3.72Å; N179-L181 HydrophobicContact CB-CG 3.89Å; N179-L181 PolarHBondContact O-N 3.45Å
180Q95.4Very high97.6Very high176 Ų17628.4 Ų28.482%0.82214%0.143SC*.THydrogen-bonded Turntrans57.134.9-179.9-55.2175.213.900112.7L176 F177 I178L176-Q180 PolarHBondContact O-N 2.98Å; F177-Q180 PolarHBondContact O-N 2.88Å; I178-Q180 PolarHBondContact O-N 3.22Å
181L95.5Very high97.6Very high68 Ų6828.3 Ų28.336%0.35614%0.143SC..SBendtrans-90.8-20.4179.9-65.8169.3000112.6Y18 L140 L176 N179Y18-L181 HydrophobicContact CD1-CD1 4.5Å; Y18-L181 HydrophobicContact CE1-CD1 3.31Å; Y18-L181 WeakPolarHBondContact OH-CD1 3.4Å; L140-L181 HydrophobicContact CD1-CB 3.94Å; L176-L181 PolarHBondContact O-N 3.41Å; N179-L181 HydrophobicContact CB-CD1 3.72Å; N179-L181 HydrophobicContact CB-CG 3.89Å; N179-L181 PolarHBondContact O-N 3.45Å
182I98.1Very high97.6Very high8 Ų828.3 Ų28.34%0.04114%0.143CC..  trans-138.9156.5172.866.8174.8000108.5L140 L173 L176 F177 A185 D262 I263L140-I182 HydrophobicContact CD1-CG2 4.01Å; L140-I182 HydrophobicContact CD2-CG2 3.77Å; L173-I182 HydrophobicContact CD2-CD1 4.32Å; L176-I182 HydrophobicContact CB-CD1 3.52Å; L176-I182 HydrophobicContact CB-CG1 3.6Å; L176-I182 HydrophobicContact CB-CG2 4.43Å; L176-I182 HydrophobicContact CD1-CD1 3.71Å; L176-I182 HydrophobicContact CD1-CG1 4.48Å; L176-I182 HydrophobicContact CD1-CG2 4.36Å; L176-I182 HydrophobicContact CG-CD1 4.21Å; F177-I182 HydrophobicContact CD1-CD1 3.98Å; F177-I182 HydrophobicContact CD1-CG1 3.61Å; F177-I182 HydrophobicContact CE1-CD1 3.69Å; F177-I182 HydrophobicContact CE1-CG1 3.66Å; F177-I182 HydrophobicContact CE2-CD1 4.32Å; F177-I182 HydrophobicContact CG-CD1 4.4Å; F177-I182 HydrophobicContact CG-CG1 4.26Å; F177-I182 HydrophobicContact CZ-CD1 3.87Å; F177-I182 HydrophobicContact CZ-CG1 4.36Å; I182-A185 HydrophobicContact CD1-CB 4Å; I182-D262 HydrophobicContact CB-CB 3.85Å; I182-D262 HydrophobicContact CG2-CB 3.81Å; I182-I263 HydrophobicContact CD1-CG2 3.59Å; I182-I263 HydrophobicContact CG2-CB 4.38Å; I182-I263 HydrophobicContact CG2-CG2 3.97Å
183S98.6Very high97.7Very high83 Ų8328.8 Ų28.858%0.5815%0.145SC*.SBendtrans-108.8-27168-58.20000112F177 N207 D262F177-S183 WeakPolarHBondContact CE1-O 3.23Å; S183-N207 WeakPolarHBondContact O-CB 3.4Å; S183-D262 WeakPolarHBondContact CA-OD2 3.17Å; S183-D262 PolarHBondContact N-OD2 3.49Å
184K98.8Very high97.7Very high88 Ų8828.8 Ų28.838%0.38315%0.145SC..  trans-137.9137.5-177.6-70.4-179.1-168.5177.20111.6N207 F259 K260 D262K184-N207 CarbonylContact C-O 3.56Å; K184-N207 WeakPolarHBondContact CA-O 3.27Å; K184-F259 HydrophobicContact CB-CE1 3.81Å; K184-F259 HydrophobicContact CB-CE2 4.49Å; K184-F259 HydrophobicContact CB-CZ 3.56Å; K184-F259 HydrophobicContact CD-CE1 4.43Å; K184-F259 HydrophobicContact CD-CE2 4.02Å; K184-F259 HydrophobicContact CD-CZ 3.88Å; K184-F259 HydrophobicContact CG-CE1 4.45Å; K184-F259 HydrophobicContact CG-CE2 4.29Å; K184-F259 HydrophobicContact CG-CZ 3.79Å; K184-K260 WeakPolarHBondContact CD-O 3.3Å; K184-D262 PolarHBondContact N-OD2 2.87Å; K184-D262 WeakPolarHBondContact O-CB 3.15Å; K184-D262 PolarHBondContact O-N 3.35Å
185A98.9Very high97.7Very high0 Ų026.1 Ų26.10%013%0.133CC..EExtended strand (participates in β ladder)trans-125148174.100000110.9L173 F177 I182 N207 V208 Y209 F259 I263L173-A185 HydrophobicContact CD1-CB 3.97Å; L173-A185 HydrophobicContact CD2-CB 3.53Å; L173-A185 HydrophobicContact CG-CB 4.35Å; F177-A185 HydrophobicContact CE2-CB 4.4Å; F177-A185 HydrophobicContact CZ-CB 3.85Å; I182-A185 HydrophobicContact CD1-CB 4Å; A185-N207 PolarHBondContact N-O 3.32Å; A185-V208 WeakPolarHBondContact O-CA 3.35Å; A185-Y209 PolarHBondContact O-N 3.06Å; A185-F259 VanDerWaalsContact O-CE1 3.29Å; A185-F259 WeakPolarHBondContact O-CE1 3.26Å; A185-I263 WeakPolarHBondContact CA-O 3.47Å; A185-I263 HydrophobicContact CB-CG2 4.05Å
186M98.9Very high97.8Very high0 Ų027 Ų270%014%0.138CC..EExtended strand (participates in β ladder)trans-113.8134.4166.1-177.1177.6-69.300109.1V188 Y209 A255 F259 P261 I263 V264 V265 F299M186-V188 HydrophobicContact CG-CG2 4.01Å; M186-V188 HydrophobicContact SD-CG2 3.97Å; M186-Y209 CarbonylContact C-O 3.38Å; M186-Y209 VanDerWaalsContact CA-O 3.28Å; M186-Y209 WeakPolarHBondContact CA-O 3.41Å; M186-Y209 HydrophobicContact CE-CD1 3.86Å; M186-Y209 HydrophobicContact CE-CE1 4.41Å; M186-Y209 HydrophobicContact CE-CG 4Å; M186-Y209 HydrophobicContact CG-CD1 4.13Å; M186-Y209 HydrophobicContact SD-CD1 4.39Å; M186-A255 HydrophobicContact CE-CB 3.97Å; M186-A255 HydrophobicContact SD-CB 4.29Å; M186-F259 HydrophobicContact CE-CB 4.13Å; M186-F259 HydrophobicContact CE-CD1 4.02Å; M186-P261 HydrophobicContact CB-CB 3.74Å; M186-P261 HydrophobicContact CB-CG 3.81Å; M186-P261 HydrophobicContact CE-CG 4.25Å; M186-I263 PolarHBondContact N-O 3.35Å; M186-V264 HydrophobicContact CB-CG2 4.14Å; M186-V264 CarbonylContact O-C 3.52Å; M186-V264 VanDerWaalsContact O-CA 3.26Å; M186-V264 WeakPolarHBondContact O-CA 3.48Å; M186-V265 PolarHBondContact O-N 2.74Å; M186-F299 HydrophobicContact SD-CE1 3.83Å; M186-F299 HydrophobicContact SD-CZ 3.58Å; M186-F299 VanDerWaalsContact SD-CZ 3.58Å
187I99Very high97.9Very high0 Ų027 Ų270%014%0.139CC..EExtended strand (participates in β ladder)trans-101.5122.2167.1-57.8173.8000106I169 L173 D189 H198 F202 V208 Y209 I210 L211 V265I169-I187 HydrophobicContact CG2-CD1 3.86Å; I169-I187 HydrophobicContact CG2-CG1 4.3Å; L173-I187 HydrophobicContact CD1-CD1 3.87Å; L173-I187 HydrophobicContact CD1-CG1 3.88Å; I187-D189 HydrophobicContact CG2-CB 4.42Å; I187-H198 HydrophobicContact CD1-CB 3.98Å; I187-F202 HydrophobicContact CD1-CD2 4.04Å; I187-F202 HydrophobicContact CD1-CE2 4.16Å; I187-V208 HydrophobicContact CD1-CG1 3.95Å; I187-V208 HydrophobicContact CG1-CG1 4.17Å; I187-Y209 PolarHBondContact N-O 2.72Å; I187-I210 HydrophobicContact CD1-CG1 4.4Å; I187-L211 PolarHBondContact O-N 2.63Å; I187-V265 WeakPolarHBondContact CA-O 3.38Å
188V99Very high98Very high0 Ų025.2 Ų25.20%013%0.131CC..EExtended strand (participates in β ladder)trans-109.5101.4169.8175.90000105.7M186 L190 L211 L252 V264 V265 Y266 N267 V295 F299M186-V188 HydrophobicContact CG-CG2 4.01Å; M186-V188 HydrophobicContact SD-CG2 3.97Å; V188-L190 HydrophobicContact CG1-CD1 4.3Å; V188-L190 HydrophobicContact CG1-CD2 4.23Å; V188-L190 HydrophobicContact CG1-CG 3.99Å; V188-L211 WeakPolarHBondContact CA-O 3.17Å; V188-L211 HydrophobicContact CG1-CD2 4.33Å; V188-L252 HydrophobicContact CG1-CD2 4.37Å; V188-L252 HydrophobicContact CG2-CD2 4.25Å; V188-V264 HydrophobicContact CB-CG1 4.3Å; V188-V264 HydrophobicContact CG2-CG1 3.9Å; V188-V265 PolarHBondContact N-O 2.92Å; V188-Y266 HydrophobicContact CB-CD2 4.38Å; V188-Y266 HydrophobicContact CG1-CD2 4.12Å; V188-Y266 HydrophobicContact CG1-CE2 4.5Å; V188-Y266 WeakPolarHBondContact O-CA 3.48Å; V188-Y266 WeakPolarHBondContact O-CD2 3.31Å; V188-N267 PolarHBondContact O-N 3.11Å; V188-V295 HydrophobicContact CG1-CG2 4.43Å; V188-F299 HydrophobicContact CG2-CE2 3.89Å; V188-F299 HydrophobicContact CG2-CZ 3.88Å
189D98.9Very high98.2Very high0 Ų023.4 Ų23.40%012%0.121CC..EExtended strand (participates in β ladder)trans-100.6113.8179-156.4-18.4000109.8H153 I187 D191 H198 L211 D212 M213 N267H153-D189 WeakPolarHBondContact CB-OD2 3.45Å; H153-D189 IonicContact CG-OD2 3.55Å; H153-D189 IonicContact ND1-OD1 3.57Å; H153-D189 IonicContact ND1-OD2 2.94Å; H153-D189 PolarHBondContact ND1-OD2 2.87Å; I187-D189 HydrophobicContact CG2-CB 4.42Å; D189-D191 VanDerWaalsContact OD1-CB 3.32Å; D189-D191 WeakPolarHBondContact OD1-CB 3.31Å; D189-D191 PolarHBondContact OD1-N 3.01Å; D189-H198 IonicContact OD2-CD2 3.81Å; D189-H198 IonicContact OD2-CE1 3.7Å; D189-H198 IonicContact OD2-NE2 2.79Å; D189-H198 PolarHBondContact OD2-NE2 3.24Å; D189-L211 PolarHBondContact N-O 2.76Å; D189-D212 HydrophobicContact CB-CB 4.45Å; D189-M213 PolarHBondContact O-N 3.11Å; D189-N267 HydrophobicContact CB-CB 4.36Å; D189-N267 WeakPolarHBondContact OD1-CB 3.41Å; D189-N267 PolarHBondContact OD1-ND2 3.35Å; D189-N267 PolarHBondContact OD2-ND2 3.21Å
190L98.9Very high98.4Very high0 Ų024.5 Ų24.50%013%0.129CC..  trans-120.918178.6-55.5-175.6000111.7V188 L211 M213 L248 Y266 N267 R291 V295V188-L190 HydrophobicContact CG1-CD1 4.3Å; V188-L190 HydrophobicContact CG1-CD2 4.23Å; V188-L190 HydrophobicContact CG1-CG 3.99Å; L190-L211 HydrophobicContact CD2-CD2 4.28Å; L190-M213 HydrophobicContact CD2-CB 3.77Å; L190-M213 HydrophobicContact CD2-CE 4.5Å; L190-L248 HydrophobicContact CD1-CD1 3.72Å; L190-L248 HydrophobicContact CD1-CD2 3.99Å; L190-L248 HydrophobicContact CD2-CD1 3.78Å; L190-L248 HydrophobicContact CG-CD1 4.44Å; L190-Y266 HydrophobicContact CB-CE2 4.07Å; L190-Y266 HydrophobicContact CD1-CE2 3.59Å; L190-Y266 HydrophobicContact CG-CE2 3.83Å; L190-N267 PolarHBondContact N-O 2.87Å; L190-R291 HydrophobicContact CD1-CG 3.59Å; L190-R291 PolarHBondContact O-NH1 3.3Å; L190-R291 VanDerWaalsContact O-NH1 3.15Å; L190-V295 HydrophobicContact CD1-CG2 3.79Å
191D98.8Very high98.6Very high0 Ų018 Ų180%010%0.1CC..SBendtrans-61146.8159.4-168.7-71.7000109.2H153 D189 H193 S313 G314H153-D191 VanDerWaalsContact CE1-CB 3.46Å; H153-D191 WeakPolarHBondContact CE1-CB 3.4Å; H153-D191 IonicContact CE1-OD1 3.24Å; H153-D191 PolarHBondContact CE1-OD1 2.75Å; H153-D191 VanDerWaalsContact CE1-OD1 3.24Å; H153-D191 IonicContact CE1-OD2 3.89Å; H153-D191 IonicContact NE2-OD1 3.62Å; H153-D191 IonicContact NE2-OD2 3.99Å; D189-D191 VanDerWaalsContact OD1-CB 3.32Å; D189-D191 WeakPolarHBondContact OD1-CB 3.31Å; D189-D191 PolarHBondContact OD1-N 3.01Å; D191-H193 PolarHBondContact O-N 3.24Å; D191-H193 VanDerWaalsContact O-N 3.17Å; D191-H193 IonicContact OD1-CG 3.77Å; D191-H193 PolarHBondContact OD1-N 3.37Å; D191-H193 IonicContact OD1-ND1 3.17Å; D191-H193 PolarHBondContact OD1-ND1 3.21Å; D191-H193 VanDerWaalsContact OD1-ND1 3.17Å; D191-S313 VanDerWaalsContact OD2-CB 3.27Å; D191-S313 WeakPolarHBondContact OD2-CB 3.42Å; D191-S313 PolarHBondContact OD2-OG 3.38Å; D191-G314 WeakPolarHBondContact OD2-CA 3.4Å; D191-G314 PolarHBondContact OD2-N 3.46Å
192A98.7Very high98.7Very high1 Ų115 Ų151%0.0088%0.084CC..SBendtrans-65-20.1-176.500000112.9Y214 N215 I218 D271 C272 G279 L281A192-Y214 WeakPolarHBondContact O-CA 3.33Å; A192-Y214 WeakPolarHBondContact O-CB 3.49Å; A192-N215 PolarHBondContact O-N 3.04Å; A192-I218 HydrophobicContact CB-CD1 4.43Å; A192-D271 HydrophobicContact CB-CB 4.28Å; A192-D271 WeakPolarHBondContact CB-OD1 3.21Å; A192-D271 PolarHBondContact N-OD1 2.66Å; A192-C272 HydrophobicContact CB-CB 4.23Å; A192-G279 VanDerWaalsContact CB-CA 3.47Å; A192-L281 HydrophobicContact CB-CD1 4.2Å
193H98.6Very high98.6Very high10 Ų1017.8 Ų17.85%0.04610%0.096CC..SBendtrans-99.1149.8-179.2-52.979.4000111.5H153 D191 G195 Y219 D271 Y316H153-H193 PolarHBondContact CE1-O 3.12Å; D191-H193 PolarHBondContact O-N 3.24Å; D191-H193 VanDerWaalsContact O-N 3.17Å; D191-H193 IonicContact OD1-CG 3.77Å; D191-H193 PolarHBondContact OD1-N 3.37Å; D191-H193 IonicContact OD1-ND1 3.17Å; D191-H193 PolarHBondContact OD1-ND1 3.21Å; D191-H193 VanDerWaalsContact OD1-ND1 3.17Å; H193-G195 PolarHBondContact O-N 2.76Å; H193-Y219 PolarHBondContact CD2-O 3.12Å; H193-D271 IonicContact CE1-OD2 3.12Å; H193-D271 PolarHBondContact CE1-OD2 3.33Å; H193-D271 IonicContact ND1-OD2 2.86Å; H193-D271 PolarHBondContact ND1-OD2 3.49Å; H193-Y316 AromaticContact CE1-CE2 3.89Å
194Q98.7Very high98.5Very high1 Ų121 Ų211%0.00511%0.106CC..  trans-60.3129173.3-178.1-166.2-19.900111H154 N196 E199 Y214 P220 D222 I229H154-Q194 PolarHBondContact CE1-O 3.01Å; H154-Q194 VanDerWaalsContact CE1-O 3.26Å; H154-Q194 PolarHBondContact ND1-O 3.19Å; Q194-N196 PolarHBondContact O-N 2.95Å; Q194-E199 WeakPolarHBondContact CG-OE1 3.4Å; Q194-E199 PolarHBondContact NE2-OE2 3.45Å; Q194-Y214 HydrophobicContact CB-CD1 4.36Å; Q194-Y214 HydrophobicContact CB-CD2 3.7Å; Q194-Y214 HydrophobicContact CB-CE1 4.46Å; Q194-Y214 HydrophobicContact CB-CE2 3.8Å; Q194-Y214 HydrophobicContact CB-CG 4.01Å; Q194-Y214 HydrophobicContact CG-CE1 4.35Å; Q194-Y214 HydrophobicContact CG-CE2 4.2Å; Q194-P220 HydrophobicContact CB-CG 4.05Å; Q194-D222 PolarHBondContact NE2-O 3.1Å; Q194-I229 HydrophobicContact CG-CD1 4.36Å
195G98.6Very high98.4Very high0 Ų018.5 Ų18.50%010%0.098CC..  trans-76.549.5-179.600000115H153 H193 G197 H198 E199 D212H153-G195 WeakPolarHBondContact ND1-CA 3.3Å; H153-G195 CarbonylContact O-C 3.46Å; H193-G195 PolarHBondContact O-N 2.76Å; G195-G197 PolarHBondContact O-N 3.33Å; G195-H198 PolarHBondContact O-CD2 2.72Å; G195-H198 PolarHBondContact O-CE1 2.74Å; G195-H198 VanDerWaalsContact O-CE1 3.28Å; G195-H198 PolarHBondContact O-N 3.37Å; G195-H198 PolarHBondContact O-ND1 2.89Å; G195-H198 PolarHBondContact O-NE2 3.5Å; G195-E199 WeakPolarHBondContact O-CG 3.29Å; G195-E199 PolarHBondContact O-N 3.28Å; G195-D212 PolarHBondContact N-OD2 3.15Å
196N98.6Very high98.4Very high19 Ų1927 Ų2710%0.10214%0.137CC..Hα-helixtrans-56.2-22.1-168.569.6-44.1000116.3H154 Q194 E199 T200 P220 D222H154-N196 WeakPolarHBondContact CA-OD1 3.32Å; H154-N196 PolarHBondContact ND1-OD1 3.32Å; Q194-N196 PolarHBondContact O-N 2.95Å; N196-E199 WeakPolarHBondContact CA-OE2 3.42Å; N196-T200 WeakPolarHBondContact O-CB 3.5Å; N196-T200 PolarHBondContact O-N 3.41Å; N196-T200 PolarHBondContact O-OG1 3.01Å; N196-P220 HydrophobicContact CB-CG 3.85Å; N196-D222 HydrophobicContact CB-CB 3.98Å
197G98.7Very high98.3Very high1 Ų130.5 Ų30.51%0.0116%0.156CC..Hα-helixtrans-67-57.6178.300000112.7H153 C155 S156 G195 T200 D201H153-G197 WeakPolarHBondContact O-CA 3.31Å; H153-G197 PolarHBondContact O-N 2.84Å; C155-G197 WeakPolarHBondContact O-CA 3.26Å; S156-G197 WeakPolarHBondContact CB-O 3.37Å; G195-G197 PolarHBondContact O-N 3.33Å; G197-T200 WeakPolarHBondContact O-CB 3.5Å; G197-T200 PolarHBondContact O-N 2.69Å; G197-D201 PolarHBondContact O-N 2.98Å
198H98.7Very high98.3Very high2 Ų231.2 Ų31.21%0.00916%0.16CC..Hα-helixtrans-71.3-31.6178.860.470000111.8I169 I187 D189 G195 T200 D201 F202I169-H198 HydrophobicContact CG2-CB 4.29Å; I187-H198 HydrophobicContact CD1-CB 3.98Å; D189-H198 IonicContact OD2-CD2 3.81Å; D189-H198 IonicContact OD2-CE1 3.7Å; D189-H198 IonicContact OD2-NE2 2.79Å; D189-H198 PolarHBondContact OD2-NE2 3.24Å; G195-H198 PolarHBondContact O-CD2 2.72Å; G195-H198 PolarHBondContact O-CE1 2.74Å; G195-H198 VanDerWaalsContact O-CE1 3.28Å; G195-H198 PolarHBondContact O-N 3.37Å; G195-H198 PolarHBondContact O-ND1 2.89Å; G195-H198 PolarHBondContact O-NE2 3.5Å; H198-T200 VanDerWaalsContact C-N 3.34Å; H198-T200 PolarHBondContact O-N 3.05Å; H198-D201 PolarHBondContact O-N 2.86Å; H198-F202 HydrophobicContact CB-CD2 4.26Å; H198-F202 HydrophobicContact CB-CE2 4.46Å; H198-F202 VanDerWaalsContact O-CD2 3.27Å; H198-F202 WeakPolarHBondContact O-CD2 3.36Å; H198-F202 PolarHBondContact O-N 3.32Å
199E98.7Very high98.3Very high0 Ų031.2 Ų31.20%016%0.16CC..Hα-helixtrans-56-46.2168.8-72.1173.2-169.300112.6Q194 G195 N196 D201 K203 I210 S225 R226 A228 I229Q194-E199 WeakPolarHBondContact CG-OE1 3.4Å; Q194-E199 PolarHBondContact NE2-OE2 3.45Å; G195-E199 WeakPolarHBondContact O-CG 3.29Å; G195-E199 PolarHBondContact O-N 3.28Å; N196-E199 WeakPolarHBondContact CA-OE2 3.42Å; E199-D201 VanDerWaalsContact C-N 3.31Å; E199-D201 PolarHBondContact O-N 3.37Å; E199-K203 WeakPolarHBondContact O-CA 3.39Å; E199-K203 WeakPolarHBondContact O-CB 3.46Å; E199-K203 PolarHBondContact O-N 2.98Å; E199-I210 HydrophobicContact CG-CD1 4.28Å; E199-I210 HydrophobicContact CG-CG2 4.47Å; E199-S225 WeakPolarHBondContact OE2-CB 3.49Å; E199-R226 PolarHBondContact OE2-N 2.83Å; E199-R226 VanDerWaalsContact OE2-N 3.17Å; E199-A228 HydrophobicContact CB-CB 3.97Å; E199-A228 HydrophobicContact CG-CB 4.46Å; E199-A228 WeakPolarHBondContact O-CB 3.43Å; E199-I229 VanDerWaalsContact CD-CG1 3.5Å; E199-I229 HydrophobicContact CG-CG1 3.85Å; E199-I229 WeakPolarHBondContact OE1-CD1 3.26Å; E199-I229 WeakPolarHBondContact OE1-CG1 3.23Å
200T98.6Very high98.3Very high58 Ų5831.4 Ų31.436%0.35616%0.161SC..Hα-helixtrans-60.1-44.9177.1-66.10000110.8N196 G197 H198 S225N196-T200 WeakPolarHBondContact O-CB 3.5Å; N196-T200 PolarHBondContact O-N 3.41Å; N196-T200 PolarHBondContact O-OG1 3.01Å; G197-T200 WeakPolarHBondContact O-CB 3.5Å; G197-T200 PolarHBondContact O-N 2.69Å; H198-T200 VanDerWaalsContact C-N 3.34Å; H198-T200 PolarHBondContact O-N 3.05Å; T200-S225 PolarHBondContact OG1-OG 3.44Å
201D98.5Very high98.3Very high38 Ų3831.4 Ų31.420%0.20316%0.161CC..Hα-helixtrans-72-30-173.7-71.4-21.4000112.9S156 A157 T170 G197 H198 E199S156-D201 WeakPolarHBondContact CA-OD2 3.19Å; S156-D201 WeakPolarHBondContact CB-OD1 3.49Å; A157-D201 VanDerWaalsContact CB-OD1 3.26Å; A157-D201 WeakPolarHBondContact CB-OD1 3.2Å; A157-D201 VanDerWaalsContact N-CG 3.33Å; A157-D201 PolarHBondContact N-OD1 3.25Å; A157-D201 PolarHBondContact N-OD2 2.85Å; T170-D201 WeakPolarHBondContact CB-OD2 3.37Å; T170-D201 HydrophobicContact CG2-CB 3.66Å; T170-D201 VanDerWaalsContact CG2-OD2 3.28Å; T170-D201 WeakPolarHBondContact CG2-OD2 3.18Å; T170-D201 PolarHBondContact OG1-OD2 3.1Å; G197-D201 PolarHBondContact O-N 2.98Å; H198-D201 PolarHBondContact O-N 2.86Å; E199-D201 VanDerWaalsContact C-N 3.31Å; E199-D201 PolarHBondContact O-N 3.37Å
202F98.5Very high98.3Very high5 Ų531.4 Ų31.42%0.02216%0.161CC..Hα-helixtrans-111.46.7-175.4-65.3-66.7000115T170 L173 K174 F177 I187 H198 N204 D205 V208 I210T170-F202 HydrophobicContact CG2-CE2 3.91Å; T170-F202 HydrophobicContact CG2-CZ 3.82Å; L173-F202 HydrophobicContact CB-CZ 3.92Å; L173-F202 HydrophobicContact CD1-CE2 3.98Å; L173-F202 HydrophobicContact CD1-CZ 3.94Å; K174-F202 HydrophobicContact CD-CE1 4.3Å; F177-F202 HydrophobicContact CE2-CE1 4.49Å; I187-F202 HydrophobicContact CD1-CD2 4.04Å; I187-F202 HydrophobicContact CD1-CE2 4.16Å; H198-F202 HydrophobicContact CB-CD2 4.26Å; H198-F202 HydrophobicContact CB-CE2 4.46Å; H198-F202 VanDerWaalsContact O-CD2 3.27Å; H198-F202 WeakPolarHBondContact O-CD2 3.36Å; H198-F202 PolarHBondContact O-N 3.32Å; F202-N204 PolarHBondContact O-N 2.66Å; F202-D205 HydrophobicContact CB-CB 4.35Å; F202-D205 HydrophobicContact CD1-CB 4.04Å; F202-D205 PolarHBondContact O-N 3.45Å; F202-V208 HydrophobicContact CB-CB 4.07Å; F202-V208 HydrophobicContact CB-CG1 4.05Å; F202-V208 HydrophobicContact CB-CG2 4.48Å; F202-V208 HydrophobicContact CD1-CB 4.03Å; F202-V208 HydrophobicContact CD1-CG1 4.31Å; F202-V208 HydrophobicContact CD1-CG2 3.48Å; F202-V208 VanDerWaalsContact CD1-CG2 3.48Å; F202-V208 HydrophobicContact CD2-CG1 4.13Å; F202-V208 HydrophobicContact CE1-CG2 3.73Å; F202-V208 HydrophobicContact CG-CB 4.04Å; F202-V208 HydrophobicContact CG-CG1 3.92Å; F202-V208 HydrophobicContact CG-CG2 3.97Å; F202-V208 HydrophobicContact CZ-CG2 4.43Å; F202-I210 HydrophobicContact CB-CD1 4.25Å
203K96.8Very high98.3Very high68 Ų6831.4 Ų31.430%0.29616%0.161SC..THydrogen-bonded Turntrans-45.9-32-176-178.9169.7178.51610117.1E199 R224 A228E199-K203 WeakPolarHBondContact O-CA 3.39Å; E199-K203 WeakPolarHBondContact O-CB 3.46Å; E199-K203 PolarHBondContact O-N 2.98Å; K203-R224 PolarHBondContact NZ-O 3.09Å; K203-A228 HydrophobicContact CB-CB 3.88Å; K203-A228 HydrophobicContact CG-CB 4.07Å
204N94.7Very high98.4Very high149 Ų14931 Ų3180%0.79716%0.159SC*.THydrogen-bonded Turntrans-120.418.8-179.2-57.6-35.7000112.3F202F202-N204 PolarHBondContact O-N 2.66Å
205D97.8Very high98.4Very high37 Ų3731 Ų3120%0.19816%0.159CC..  trans-100.996.6-179.6-162-21.8000109.4K174 F202 N207 V208K174-D205 IonicContact NZ-OD2 3.86Å; K174-D205 PolarHBondContact NZ-OD2 3.17Å; K174-D205 VanDerWaalsContact NZ-OD2 3.16Å; F202-D205 HydrophobicContact CB-CB 4.35Å; F202-D205 HydrophobicContact CD1-CB 4.04Å; F202-D205 PolarHBondContact O-N 3.45Å; D205-N207 PolarHBondContact O-N 3.04Å; D205-N207 WeakPolarHBondContact OD1-CB 3.42Å; D205-N207 PolarHBondContact OD1-N 2.88Å; D205-N207 PolarHBondContact OD1-ND2 3.19Å; D205-N207 VanDerWaalsContact OD1-ND2 3.13Å; D205-V208 PolarHBondContact O-N 2.95Å
206E97.9Very high98.3Very high177 Ų17732.5 Ų32.583%0.82717%0.17SC*.THydrogen-bonded Turntrans-62.9-12.5-179.2-63.1-177.1173.800113.5V208E206-V208 VanDerWaalsContact C-N 3.28Å
207N98.6Very high98.3Very high75 Ų7532.6 Ų32.640%0.40118%0.175SC..THydrogen-bonded Turntrans-83.5-3.4175.4-55-62.3000113F177 S183 K184 A185 D205 F259F177-N207 HydrophobicContact CE1-CB 4.3Å; F177-N207 HydrophobicContact CZ-CB 4.35Å; S183-N207 WeakPolarHBondContact O-CB 3.4Å; K184-N207 CarbonylContact C-O 3.56Å; K184-N207 WeakPolarHBondContact CA-O 3.27Å; A185-N207 PolarHBondContact N-O 3.32Å; D205-N207 PolarHBondContact O-N 3.04Å; D205-N207 WeakPolarHBondContact OD1-CB 3.42Å; D205-N207 PolarHBondContact OD1-N 2.88Å; D205-N207 PolarHBondContact OD1-ND2 3.19Å; D205-N207 VanDerWaalsContact OD1-ND2 3.13Å; N207-F259 WeakPolarHBondContact O-CZ 3.18Å
208V98.8Very high98.3Very high14 Ų1433.3 Ų33.39%0.08518%0.179CC..EExtended strand (participates in β ladder)trans-120.2118.4176.8-177.70000110.1F177 A185 I187 F202 D205 E206 I210F177-V208 HydrophobicContact CE2-CG2 3.8Å; F177-V208 HydrophobicContact CZ-CG2 3.85Å; A185-V208 WeakPolarHBondContact O-CA 3.35Å; I187-V208 HydrophobicContact CD1-CG1 3.95Å; I187-V208 HydrophobicContact CG1-CG1 4.17Å; F202-V208 HydrophobicContact CB-CB 4.07Å; F202-V208 HydrophobicContact CB-CG1 4.05Å; F202-V208 HydrophobicContact CB-CG2 4.48Å; F202-V208 HydrophobicContact CD1-CB 4.03Å; F202-V208 HydrophobicContact CD1-CG1 4.31Å; F202-V208 HydrophobicContact CD1-CG2 3.48Å; F202-V208 VanDerWaalsContact CD1-CG2 3.48Å; F202-V208 HydrophobicContact CD2-CG1 4.13Å; F202-V208 HydrophobicContact CE1-CG2 3.73Å; F202-V208 HydrophobicContact CG-CB 4.04Å; F202-V208 HydrophobicContact CG-CG1 3.92Å; F202-V208 HydrophobicContact CG-CG2 3.97Å; F202-V208 HydrophobicContact CZ-CG2 4.43Å; D205-V208 PolarHBondContact O-N 2.95Å; E206-V208 VanDerWaalsContact C-N 3.28Å; V208-I210 HydrophobicContact CG1-CG1 4.09Å
209Y98.8Very high98.2Very high1 Ų137.3 Ų37.30%0.00419%0.194CC..EExtended strand (participates in β ladder)trans-96.2121.3172.2-168.4-72.5000109.6A185 M186 I187 L211 R230 K231 A255 E258 F259A185-Y209 PolarHBondContact O-N 3.06Å; M186-Y209 CarbonylContact C-O 3.38Å; M186-Y209 VanDerWaalsContact CA-O 3.28Å; M186-Y209 WeakPolarHBondContact CA-O 3.41Å; M186-Y209 HydrophobicContact CE-CD1 3.86Å; M186-Y209 HydrophobicContact CE-CE1 4.41Å; M186-Y209 HydrophobicContact CE-CG 4Å; M186-Y209 HydrophobicContact CG-CD1 4.13Å; M186-Y209 HydrophobicContact SD-CD1 4.39Å; I187-Y209 PolarHBondContact N-O 2.72Å; Y209-L211 HydrophobicContact CE1-CB 4.34Å; Y209-R230 HydrophobicContact CD1-CB 4.48Å; Y209-R230 HydrophobicContact CD2-CB 4.32Å; Y209-R230 VanDerWaalsContact CD2-CD 3.44Å; Y209-R230 HydrophobicContact CD2-CG 4.07Å; Y209-R230 HydrophobicContact CE1-CB 4.19Å; Y209-R230 HydrophobicContact CE1-CG 4.4Å; Y209-R230 HydrophobicContact CE2-CB 4.1Å; Y209-R230 HydrophobicContact CE2-CG 3.54Å; Y209-K231 HydrophobicContact CE1-CB 3.81Å; Y209-K231 WeakPolarHBondContact OH-CE 3.2Å; Y209-A255 HydrophobicContact CD1-CB 4.35Å; Y209-A255 HydrophobicContact CE1-CB 3.56Å; Y209-E258 HydrophobicContact CE2-CB 3.96Å; Y209-E258 WeakPolarHBondContact CE2-OE2 3.4Å; Y209-E258 PolarHBondContact OH-OE2 2.87Å; Y209-F259 VanDerWaalsContact CB-CD1 3.48Å; Y209-F259 HydrophobicContact CD2-CB 3.27Å; Y209-F259 HydrophobicContact CD2-CD1 4.3Å; Y209-F259 AromaticContact CD2-CD2 3.93Å; Y209-F259 HydrophobicContact CD2-CD2 3.93Å; Y209-F259 AromaticContact CD2-CG 3.61Å; Y209-F259 HydrophobicContact CD2-CG 3.61Å; Y209-F259 HydrophobicContact CE2-CB 3.83Å; Y209-F259 HydrophobicContact CG-CB 3.9Å; Y209-F259 HydrophobicContact CG-CD1 4.18Å; Y209-F259 HydrophobicContact CG-CD2 4.45Å; Y209-F259 AromaticContact CG-CG 3.95Å; Y209-F259 HydrophobicContact CG-CG 3.95Å
210I98.9Very high98.1Very high3 Ų338.3 Ų38.32%0.01520%0.201CC..EExtended strand (participates in β ladder)trans-105.1115.2177.1-53.9178.1000108.9I187 E199 F202 V208 D212 A228 I229 R230 K231I187-I210 HydrophobicContact CD1-CG1 4.4Å; E199-I210 HydrophobicContact CG-CD1 4.28Å; E199-I210 HydrophobicContact CG-CG2 4.47Å; F202-I210 HydrophobicContact CB-CD1 4.25Å; V208-I210 HydrophobicContact CG1-CG1 4.09Å; I210-D212 HydrophobicContact CG2-CB 4.37Å; I210-A228 HydrophobicContact CD1-CB 4.32Å; I210-I229 HydrophobicContact CG2-CG2 4.28Å; I210-R230 PolarHBondContact O-N 2.88Å; I210-K231 PolarHBondContact O-N 3.46Å
211L98.9Very high98.1Very high0 Ų042.4 Ų42.40%021%0.211CC..EExtended strand (participates in β ladder)trans-100.8120.7160.5-176.9169000106.7I187 V188 D189 L190 Y209 M213 K231 A251 L252 A255I187-L211 PolarHBondContact O-N 2.63Å; V188-L211 WeakPolarHBondContact CA-O 3.17Å; V188-L211 HydrophobicContact CG1-CD2 4.33Å; D189-L211 PolarHBondContact N-O 2.76Å; L190-L211 HydrophobicContact CD2-CD2 4.28Å; Y209-L211 HydrophobicContact CE1-CB 4.34Å; L211-M213 HydrophobicContact CD2-CB 4.38Å; L211-K231 WeakPolarHBondContact CA-O 3.29Å; L211-K231 HydrophobicContact CB-CB 3.96Å; L211-K231 HydrophobicContact CD1-CB 4.4Å; L211-K231 HydrophobicContact CD1-CG 4.14Å; L211-K231 HydrophobicContact CG-CB 3.84Å; L211-K231 HydrophobicContact CG-CG 3.88Å; L211-A251 HydrophobicContact CD1-CB 4.01Å; L211-L252 HydrophobicContact CD1-CD2 3.99Å; L211-L252 HydrophobicContact CD1-CG 4.42Å; L211-A255 HydrophobicContact CD1-CB 4.02Å
212D98.9Very high98Very high0 Ų042.7 Ų42.70%021%0.212CC..EExtended strand (participates in β ladder)trans-129.2127.6175.7-162.6-20.1000108.7D189 G195 I210 Y214 I229 K231 I233D189-D212 HydrophobicContact CB-CB 4.45Å; G195-D212 PolarHBondContact N-OD2 3.15Å; I210-D212 HydrophobicContact CG2-CB 4.37Å; D212-Y214 HydrophobicContact CB-CD1 4.12Å; D212-Y214 HydrophobicContact CB-CE1 4.34Å; D212-Y214 VanDerWaalsContact OD1-CD1 3.27Å; D212-Y214 WeakPolarHBondContact OD1-CD1 3.42Å; D212-I229 HydrophobicContact CB-CD1 4.07Å; D212-I229 HydrophobicContact CB-CG1 4.28Å; D212-I229 HydrophobicContact CB-CG2 3.7Å; D212-K231 PolarHBondContact N-O 3.2Å; D212-I233 PolarHBondContact O-N 2.96Å
213M98.9Very high97.9Very high1 Ų148 Ų481%0.00524%0.24CC..EExtended strand (participates in β ladder)trans-128.6100.7-179.7-175.7169.5104.800110.1D189 L190 L211 I233 L235 Y244 L247 L248D189-M213 PolarHBondContact O-N 3.11Å; L190-M213 HydrophobicContact CD2-CB 3.77Å; L190-M213 HydrophobicContact CD2-CE 4.5Å; L211-M213 HydrophobicContact CD2-CB 4.38Å; M213-I233 WeakPolarHBondContact CA-O 3.27Å; M213-I233 HydrophobicContact CB-CB 3.93Å; M213-I233 HydrophobicContact CB-CG2 4.44Å; M213-I233 HydrophobicContact CG-CB 3.7Å; M213-I233 HydrophobicContact CG-CG2 3.65Å; M213-I233 HydrophobicContact SD-CB 4.2Å; M213-I233 HydrophobicContact SD-CG2 3.83Å; M213-L235 HydrophobicContact CE-CD1 4.23Å; M213-L235 HydrophobicContact CG-CD1 3.91Å; M213-L235 HydrophobicContact CG-CD2 4.16Å; M213-L235 HydrophobicContact CG-CG 4.02Å; M213-L235 HydrophobicContact SD-CD2 4.48Å; M213-Y244 HydrophobicContact CE-CD1 3.71Å; M213-Y244 HydrophobicContact CE-CD2 3.39Å; M213-Y244 HydrophobicContact CE-CE1 3.47Å; M213-Y244 VanDerWaalsContact CE-CE1 3.47Å; M213-Y244 HydrophobicContact CE-CE2 3.15Å; M213-Y244 HydrophobicContact CE-CG 3.65Å; M213-L247 HydrophobicContact SD-CB 4.21Å; M213-L248 HydrophobicContact CE-CB 4.05Å; M213-L248 HydrophobicContact SD-CB 4.28Å
214Y98.8Very high97.9Very high3 Ų353.9 Ų53.91%0.01226%0.26CS..EExtended strand (participates in β ladder)trans-139.4160.6-165.361.3-80.9000111.4A192 Q194 D212 S216 R226 I229 N232 I233 Q234 L235A192-Y214 WeakPolarHBondContact O-CA 3.33Å; A192-Y214 WeakPolarHBondContact O-CB 3.49Å; Q194-Y214 HydrophobicContact CB-CD1 4.36Å; Q194-Y214 HydrophobicContact CB-CD2 3.7Å; Q194-Y214 HydrophobicContact CB-CE1 4.46Å; Q194-Y214 HydrophobicContact CB-CE2 3.8Å; Q194-Y214 HydrophobicContact CB-CG 4.01Å; Q194-Y214 HydrophobicContact CG-CE1 4.35Å; Q194-Y214 HydrophobicContact CG-CE2 4.2Å; D212-Y214 HydrophobicContact CB-CD1 4.12Å; D212-Y214 HydrophobicContact CB-CE1 4.34Å; D212-Y214 VanDerWaalsContact OD1-CD1 3.27Å; D212-Y214 WeakPolarHBondContact OD1-CD1 3.42Å; Y214-S216 PolarHBondContact O-N 3.48Å; Y214-R226 VanDerWaalsContact OH-CD 3.3Å; Y214-R226 WeakPolarHBondContact OH-CD 3.28Å; Y214-R226 PolarHBondContact OH-NE 3.28Å; Y214-I229 HydrophobicContact CE1-CD1 3.84Å; Y214-N232 VanDerWaalsContact CE1-OD1 3.26Å; Y214-N232 WeakPolarHBondContact CE1-OD1 3.25Å; Y214-N232 PolarHBondContact OH-OD1 3.29Å; Y214-I233 PolarHBondContact N-O 2.79Å; Y214-Q234 HydrophobicContact CE2-CG 4.4Å; Y214-L235 WeakPolarHBondContact O-CB 3.24Å; Y214-L235 PolarHBondContact O-N 3.01Å
215N98.7Very high98.1Very high1 Ų147 Ų471%0.00522%0.224CC..EExtended strand (participates in β ladder)trans-72.1114.8170.4-179.6-16.3000109.4A192 G217 I218 G279 C280 L281A192-N215 PolarHBondContact O-N 3.04Å; N215-G217 PolarHBondContact O-N 2.87Å; N215-G217 PolarHBondContact OD1-N 2.87Å; N215-I218 HydrophobicContact CB-CD1 3.79Å; N215-I218 HydrophobicContact CB-CG1 3.86Å; N215-I218 VanDerWaalsContact O-CG1 3.27Å; N215-I218 WeakPolarHBondContact O-CG1 3.38Å; N215-G279 PolarHBondContact ND2-O 2.8Å; N215-C280 PolarHBondContact ND2-O 2.94Å; N215-L281 HydrophobicContact CB-CD1 4.48Å; N215-L281 HydrophobicContact CB-CD2 4Å; N215-L281 HydrophobicContact CB-CG 4.2Å
216S97.9Very high98.1Very high31 Ų3147.1 Ų47.122%0.21722%0.222CC..THydrogen-bonded Turntrans-74.9-12.4-174.9690000114.1Y214 L235Y214-S216 PolarHBondContact O-N 3.48Å; S216-L235 PolarHBondContact N-O 2.97Å; S216-L235 PolarHBondContact OG-O 3.43Å
217G98Very high98Very high21 Ų2148.2 Ų48.222%0.21622%0.218CC..THydrogen-bonded Turntrans-86.4-1.4-178.900000115.3N215 Y221N215-G217 PolarHBondContact O-N 2.87Å; N215-G217 PolarHBondContact OD1-N 2.87Å; G217-Y221 WeakPolarHBondContact O-CE1 3.35Å; G217-Y221 PolarHBondContact O-OH 2.71Å
218I98.1Very high98Very high16 Ų1645.4 Ų45.48%0.08221%0.206CC..SBendtrans-121.1177.4-175.363.1173.4000112.9A192 N215 Y221 F237 L278A192-I218 HydrophobicContact CB-CD1 4.43Å; N215-I218 HydrophobicContact CB-CD1 3.79Å; N215-I218 HydrophobicContact CB-CG1 3.86Å; N215-I218 VanDerWaalsContact O-CG1 3.27Å; N215-I218 WeakPolarHBondContact O-CG1 3.38Å; I218-Y221 WeakPolarHBondContact CA-OH 2.95Å; I218-Y221 WeakPolarHBondContact O-CE1 3.47Å; I218-F237 HydrophobicContact CG2-CE1 3.91Å; I218-F237 HydrophobicContact CG2-CZ 4.19Å; I218-L278 VanDerWaalsContact CD1-O 3.25Å; I218-L278 WeakPolarHBondContact CD1-O 3.33Å
219Y97.1Very high98Very high85 Ų8545.4 Ų45.433%0.33321%0.205SC..THydrogen-bonded Turntrans-47.2139.5176.7176-90.7000111.1H154 G162 H193H154-Y219 AromaticContact CD2-CE1 3.82Å; H154-Y219 AromaticContact CE1-CD1 3.72Å; H154-Y219 AromaticContact CE1-CE1 3.51Å; H154-Y219 AromaticContact CG-CE1 3.87Å; H154-Y219 AromaticContact ND1-CE1 3.67Å; H154-Y219 AromaticContact NE2-CD1 3.68Å; H154-Y219 AromaticContact NE2-CE1 3.53Å; G162-Y219 PolarHBondContact N-OH 3.2Å; H193-Y219 PolarHBondContact CD2-O 3.12Å
220P97.7Very high98Very high22 Ų2251.5 Ų51.514%0.14323%0.228CC..THydrogen-bonded Turncis-103.7-1.715.537.4-31.3000116.6Q194 N196 D222Q194-P220 HydrophobicContact CB-CG 4.05Å; N196-P220 HydrophobicContact CB-CG 3.85Å; P220-D222 HydrophobicContact CB-CB 4.41Å; P220-D222 HydrophobicContact CG-CB 4.08Å; P220-D222 PolarHBondContact O-N 3.35Å
221Y96.9Very high97.9Very high144 Ų14452.4 Ų52.457%0.56523%0.232SC*.  trans5431-171.7-48.6-73.7000114.4G217 I218 L223G217-Y221 WeakPolarHBondContact O-CE1 3.35Å; G217-Y221 PolarHBondContact O-OH 2.71Å; I218-Y221 WeakPolarHBondContact CA-OH 2.95Å; I218-Y221 WeakPolarHBondContact O-CE1 3.47Å; Y221-L223 PolarHBondContact O-N 3.11Å
222D97.4Very high97.9Very high44 Ų4455 Ų5524%0.23525%0.246CC..  trans-85.681.5-175.3-169.1-15.9000111.9Q194 N196 P220 R224 S225 R226Q194-D222 PolarHBondContact NE2-O 3.1Å; N196-D222 HydrophobicContact CB-CB 3.98Å; P220-D222 HydrophobicContact CB-CB 4.41Å; P220-D222 HydrophobicContact CG-CB 4.08Å; P220-D222 PolarHBondContact O-N 3.35Å; D222-R224 PolarHBondContact O-N 2.93Å; D222-R224 VanDerWaalsContact O-N 3.14Å; D222-R224 PolarHBondContact OD1-N 3.23Å; D222-R224 VanDerWaalsContact OD1-N 3.12Å; D222-S225 VanDerWaalsContact CG-CB 3.5Å; D222-S225 PolarHBondContact O-N 2.8Å; D222-S225 PolarHBondContact OD1-N 2.82Å; D222-S225 PolarHBondContact OD1-OG 3.46Å; D222-S225 WeakPolarHBondContact OD2-CB 3.16Å; D222-S225 PolarHBondContact OD2-OG 3.24Å; D222-R226 WeakPolarHBondContact O-CB 3.49Å; D222-R226 PolarHBondContact O-N 3.1Å
223L96.7Very high97.9Very high117 Ų11756.4 Ų56.461%0.61325%0.253SS*.THydrogen-bonded Turntrans-61.6-20.3178.9-58.2-178.6000113.9Y221Y221-L223 PolarHBondContact O-N 3.11Å
224R97.5Very high97.9Very high190 Ų19060.7 Ų60.772%0.71727%0.273SS*.THydrogen-bonded Turntrans-80.2-45.3-178.6179.2-178.2176.2174.30.8110.7K203 D222K203-R224 PolarHBondContact NZ-O 3.09Å; D222-R224 PolarHBondContact O-N 2.93Å; D222-R224 VanDerWaalsContact O-N 3.14Å; D222-R224 PolarHBondContact OD1-N 3.23Å; D222-R224 VanDerWaalsContact OD1-N 3.12Å
225S97.6Very high97.9Very high5 Ų560.6 Ų60.64%0.03527%0.273CS..THydrogen-bonded Turntrans-70.5-36.9178.8-56.30000110.5E199 T200 D222 R227 A228E199-S225 WeakPolarHBondContact OE2-CB 3.49Å; T200-S225 PolarHBondContact OG1-OG 3.44Å; D222-S225 VanDerWaalsContact CG-CB 3.5Å; D222-S225 PolarHBondContact O-N 2.8Å; D222-S225 PolarHBondContact OD1-N 2.82Å; D222-S225 PolarHBondContact OD1-OG 3.46Å; D222-S225 WeakPolarHBondContact OD2-CB 3.16Å; D222-S225 PolarHBondContact OD2-OG 3.24Å; S225-R227 PolarHBondContact O-N 3.32Å; S225-A228 WeakPolarHBondContact O-CB 3.24Å; S225-A228 PolarHBondContact O-N 3.28Å
226R97Very high97.9Very high40 Ų4066 Ų6615%0.15130%0.302CS..G310 helixtrans-49.8-28.6176.2-169.3-179.4-63.7-173.7-3114.6E199 Y214 D222 A228 I229E199-R226 PolarHBondContact OE2-N 2.83Å; E199-R226 VanDerWaalsContact OE2-N 3.17Å; Y214-R226 VanDerWaalsContact OH-CD 3.3Å; Y214-R226 WeakPolarHBondContact OH-CD 3.28Å; Y214-R226 PolarHBondContact OH-NE 3.28Å; D222-R226 WeakPolarHBondContact O-CB 3.49Å; D222-R226 PolarHBondContact O-N 3.1Å; R226-A228 PolarHBondContact O-N 3.47Å; R226-I229 HydrophobicContact CB-CD1 4.27Å; R226-I229 HydrophobicContact CG-CD1 3.74Å; R226-I229 WeakPolarHBondContact O-CB 3.39Å; R226-I229 WeakPolarHBondContact O-CG1 3.08Å; R226-I229 PolarHBondContact O-N 2.83Å; R226-I229 VanDerWaalsContact O-N 3.12Å
227R97.2Very high97.9Very high199 Ų19969.3 Ų69.375%0.75131%0.312SS*.G310 helixtrans-66.7-14.3177.3-59.2-173-168.6174.70.3114.1S225S225-R227 PolarHBondContact O-N 3.32Å
228A98Very high97.9Very high16 Ų1674.9 Ų74.913%0.13233%0.331CS..G310 helixtrans-80-19.9174.200000112.6E199 K203 I210 S225 R226 R230E199-A228 HydrophobicContact CB-CB 3.97Å; E199-A228 HydrophobicContact CG-CB 4.46Å; E199-A228 WeakPolarHBondContact O-CB 3.43Å; K203-A228 HydrophobicContact CB-CB 3.88Å; K203-A228 HydrophobicContact CG-CB 4.07Å; I210-A228 HydrophobicContact CD1-CB 4.32Å; S225-A228 WeakPolarHBondContact O-CB 3.24Å; S225-A228 PolarHBondContact O-N 3.28Å; R226-A228 PolarHBondContact O-N 3.47Å; A228-R230 PolarHBondContact O-N 3Å
229I98.5Very high98Very high14 Ų1474.3 Ų74.37%0.07233%0.328CS..  trans-74.7114.8-176.4-46.7168.4000108.5Q194 E199 I210 D212 Y214 R226 K231 N232Q194-I229 HydrophobicContact CG-CD1 4.36Å; E199-I229 VanDerWaalsContact CD-CG1 3.5Å; E199-I229 HydrophobicContact CG-CG1 3.85Å; E199-I229 WeakPolarHBondContact OE1-CD1 3.26Å; E199-I229 WeakPolarHBondContact OE1-CG1 3.23Å; I210-I229 HydrophobicContact CG2-CG2 4.28Å; D212-I229 HydrophobicContact CB-CD1 4.07Å; D212-I229 HydrophobicContact CB-CG1 4.28Å; D212-I229 HydrophobicContact CB-CG2 3.7Å; Y214-I229 HydrophobicContact CE1-CD1 3.84Å; R226-I229 HydrophobicContact CB-CD1 4.27Å; R226-I229 HydrophobicContact CG-CD1 3.74Å; R226-I229 WeakPolarHBondContact O-CB 3.39Å; R226-I229 WeakPolarHBondContact O-CG1 3.08Å; R226-I229 PolarHBondContact O-N 2.83Å; R226-I229 VanDerWaalsContact O-N 3.12Å; I229-K231 WeakPolarHBondContact CG2-O 3.3Å; I229-N232 HydrophobicContact CB-CB 3.95Å; I229-N232 HydrophobicContact CG2-CB 3.72Å
230R98.5Very high98.1Very high130 Ų13076.5 Ų76.549%0.49134%0.341SS..SBendtrans-81.5-36.8-179.5-173.9162.6165.5-174.1-0.4111.9Y209 I210 A228 E258Y209-R230 HydrophobicContact CD1-CB 4.48Å; Y209-R230 HydrophobicContact CD2-CB 4.32Å; Y209-R230 VanDerWaalsContact CD2-CD 3.44Å; Y209-R230 HydrophobicContact CD2-CG 4.07Å; Y209-R230 HydrophobicContact CE1-CB 4.19Å; Y209-R230 HydrophobicContact CE1-CG 4.4Å; Y209-R230 HydrophobicContact CE2-CB 4.1Å; Y209-R230 HydrophobicContact CE2-CG 3.54Å; I210-R230 PolarHBondContact O-N 2.88Å; A228-R230 PolarHBondContact O-N 3Å; R230-E258 IonicContact CZ-OE2 3.76Å; R230-E258 IonicContact NE-OE2 3.66Å; R230-E258 PolarHBondContact NE-OE2 3.21Å; R230-E258 IonicContact NH2-OE2 3Å
231K98.7Very high98.1Very high21 Ų2177 Ų779%0.09134%0.343CS..EExtended strand (participates in β ladder)trans-114.388.6168.5-168.666.863.3-168.80109.4Y209 I210 L211 D212 I229 I233 A251 E254 E258Y209-K231 HydrophobicContact CE1-CB 3.81Å; Y209-K231 WeakPolarHBondContact OH-CE 3.2Å; I210-K231 PolarHBondContact O-N 3.46Å; L211-K231 WeakPolarHBondContact CA-O 3.29Å; L211-K231 HydrophobicContact CB-CB 3.96Å; L211-K231 HydrophobicContact CD1-CB 4.4Å; L211-K231 HydrophobicContact CD1-CG 4.14Å; L211-K231 HydrophobicContact CG-CB 3.84Å; L211-K231 HydrophobicContact CG-CG 3.88Å; D212-K231 PolarHBondContact N-O 3.2Å; I229-K231 WeakPolarHBondContact CG2-O 3.3Å; K231-I233 HydrophobicContact CD-CD1 4.23Å; K231-I233 HydrophobicContact CG-CD1 4.27Å; K231-I233 HydrophobicContact CG-CG1 4.36Å; K231-A251 HydrophobicContact CD-CB 4.33Å; K231-A251 HydrophobicContact CG-CB 3.89Å; K231-E254 WeakPolarHBondContact CE-OE2 3.34Å; K231-E254 VanDerWaalsContact NZ-CB 3.29Å; K231-E254 IonicContact NZ-OE2 2.66Å; K231-E254 PolarHBondContact NZ-OE2 3.21Å; K231-E258 IonicContact NZ-OE1 2.82Å; K231-E258 PolarHBondContact NZ-OE1 3.39Å
232N98.5Very high98.2Very high55 Ų5578.5 Ų78.529%0.29436%0.355SS..EExtended strand (participates in β ladder)trans-96.4100.5-174.9177.831.7000110.3Y214 I229Y214-N232 VanDerWaalsContact CE1-OD1 3.26Å; Y214-N232 WeakPolarHBondContact CE1-OD1 3.25Å; Y214-N232 PolarHBondContact OH-OD1 3.29Å; I229-N232 HydrophobicContact CB-CB 3.95Å; I229-N232 HydrophobicContact CG2-CB 3.72Å
233I98.7Very high98.3Very high30 Ų3081.2 Ų81.215%0.15437%0.366CS..EExtended strand (participates in β ladder)trans-104.1111.1177.7-51.2-57.6000108.3D212 M213 Y214 K231 L235 L247 A251D212-I233 PolarHBondContact O-N 2.96Å; M213-I233 WeakPolarHBondContact CA-O 3.27Å; M213-I233 HydrophobicContact CB-CB 3.93Å; M213-I233 HydrophobicContact CB-CG2 4.44Å; M213-I233 HydrophobicContact CG-CB 3.7Å; M213-I233 HydrophobicContact CG-CG2 3.65Å; M213-I233 HydrophobicContact SD-CB 4.2Å; M213-I233 HydrophobicContact SD-CG2 3.83Å; Y214-I233 PolarHBondContact N-O 2.79Å; K231-I233 HydrophobicContact CD-CD1 4.23Å; K231-I233 HydrophobicContact CG-CD1 4.27Å; K231-I233 HydrophobicContact CG-CG1 4.36Å; I233-L235 HydrophobicContact CG2-CD2 4.17Å; I233-L247 HydrophobicContact CG2-CB 4.3Å; I233-L247 HydrophobicContact CG2-CD1 4.27Å; I233-A251 HydrophobicContact CD1-CB 4.13Å; I233-A251 HydrophobicContact CG1-CB 3.87Å
234Q98.5Very high98.4Very high91 Ų9175.7 Ų75.743%0.42534%0.337SS..EExtended strand (participates in β ladder)trans-95.1121.7177.6-73.3175.3101.300108.5Y214Y214-Q234 HydrophobicContact CE2-CG 4.4Å
235L98.8Very high98.4Very high1 Ų167.5 Ų67.51%0.00531%0.308CS..EExtended strand (participates in β ladder)trans-96.6151.2174.8-56.1177000110.1M213 Y214 S216 I233 T239 Y244 L247 L281M213-L235 HydrophobicContact CE-CD1 4.23Å; M213-L235 HydrophobicContact CG-CD1 3.91Å; M213-L235 HydrophobicContact CG-CD2 4.16Å; M213-L235 HydrophobicContact CG-CG 4.02Å; M213-L235 HydrophobicContact SD-CD2 4.48Å; Y214-L235 WeakPolarHBondContact O-CB 3.24Å; Y214-L235 PolarHBondContact O-N 3.01Å; S216-L235 PolarHBondContact N-O 2.97Å; S216-L235 PolarHBondContact OG-O 3.43Å; I233-L235 HydrophobicContact CG2-CD2 4.17Å; L235-T239 HydrophobicContact CD2-CG2 4.34Å; L235-Y244 HydrophobicContact CD1-CD2 3.61Å; L235-Y244 HydrophobicContact CD1-CE2 3.69Å; L235-L247 HydrophobicContact CD2-CD1 3.57Å; L235-L281 HydrophobicContact CB-CD2 4.13Å; L235-L281 HydrophobicContact CD1-CD1 3.83Å; L235-L281 HydrophobicContact CD1-CD2 4.3Å
236D98.5Very high98.5Very high114 Ų11469.5 Ų69.561%0.6133%0.325SS*.PPolyproline II helixtrans-88166171.1-74.1-36.1000110.7F238 T239 L281D236-F238 PolarHBondContact O-N 2.88Å; D236-T239 PolarHBondContact O-N 2.9Å; D236-T239 PolarHBondContact O-OG1 3.26Å; D236-T239 VanDerWaalsContact O-OG1 3.12Å; D236-L281 VanDerWaalsContact O-CD2 3.28Å; D236-L281 WeakPolarHBondContact O-CD2 3.42Å
237F98.4Very high98.6Very high101 Ų10170.2 Ų70.244%0.44333%0.331SS..THydrogen-bonded Turntrans-55.6138.8172.6-72.4-87.7000110.7I218 T239 C280I218-F237 HydrophobicContact CG2-CE1 3.91Å; I218-F237 HydrophobicContact CG2-CZ 4.19Å; F237-T239 PolarHBondContact O-N 2.78Å; F237-C280 HydrophobicContact CD1-CB 3.63Å; F237-C280 HydrophobicContact CE1-CB 3.91Å
238F98.4Very high98.7Very high137 Ų13760.8 Ų60.860%0.60130%0.295SS*.THydrogen-bonded Turntrans64.318.5173.9-45.4-66.5000115.7D236 E240 C280 S282D236-F238 PolarHBondContact O-N 2.88Å; F238-E240 PolarHBondContact O-N 3.31Å; F238-C280 PolarHBondContact N-O 3.03Å; F238-S282 VanDerWaalsContact CA-OG 3.31Å; F238-S282 WeakPolarHBondContact CA-OG 3.47Å; F238-S282 WeakPolarHBondContact CB-OG 3.06Å; F238-S282 WeakPolarHBondContact O-CB 3.18Å; F238-S282 PolarHBondContact O-OG 2.94Å
239T98.8Very high98.7Very high5 Ų565.2 Ų65.23%0.03131%0.312CS..  trans-49.6132.8169-63.10000110.5L235 D236 F237 E243 S282 I283L235-T239 HydrophobicContact CD2-CG2 4.34Å; D236-T239 PolarHBondContact O-N 2.9Å; D236-T239 PolarHBondContact O-OG1 3.26Å; D236-T239 VanDerWaalsContact O-OG1 3.12Å; F237-T239 PolarHBondContact O-N 2.78Å; T239-E243 HydrophobicContact CG2-CB 3.99Å; T239-E243 HydrophobicContact CG2-CG 3.93Å; T239-S282 WeakPolarHBondContact O-CA 3.13Å; T239-S282 PolarHBondContact O-N 3.02Å; T239-I283 WeakPolarHBondContact O-CD1 3.43Å
240E98.8Very high98.7Very high131 Ų13169.1 Ų69.161%0.61233%0.333SS*.BIsolated β-bridgetrans-102.6174.1-175.9-62-174.6172.300112.2F238 E242 E243 Y244F238-E240 PolarHBondContact O-N 3.31Å; E240-E242 PolarHBondContact O-N 3.22Å; E240-E243 PolarHBondContact O-N 3.44Å; E240-Y244 VanDerWaalsContact O-CB 3.22Å; E240-Y244 WeakPolarHBondContact O-CB 3.48Å; E240-Y244 PolarHBondContact O-N 3.07Å
241D98.8Very high98.7Very high33 Ų3363 Ų6318%0.17631%0.31CS..Hα-helixtrans-51.2-46.8-173.3-71.4-4.8000114.5L245 I283 T284D241-L245 HydrophobicContact CB-CD1 4.45Å; D241-L245 VanDerWaalsContact O-CB 3.23Å; D241-L245 WeakPolarHBondContact O-CB 3.41Å; D241-L245 WeakPolarHBondContact O-CG 3.44Å; D241-L245 PolarHBondContact O-N 3.45Å; D241-I283 VanDerWaalsContact OD1-CA 3.25Å; D241-I283 WeakPolarHBondContact OD1-CA 3.47Å; D241-I283 WeakPolarHBondContact OD1-CG2 3.44Å; D241-T284 PolarHBondContact OD1-N 3.04Å; D241-T284 WeakPolarHBondContact OD2-CB 3.33Å; D241-T284 VanDerWaalsContact OD2-CG2 3.29Å; D241-T284 WeakPolarHBondContact OD2-CG2 3.49Å; D241-T284 PolarHBondContact OD2-OG1 3.24Å
242E98.7Very high98.7Very high174 Ų17462.1 Ų62.181%0.81331%0.306SS*.Hα-helixtrans-64.3-51.1-172.3-175.5173-173.700111.5E240 A246E240-E242 PolarHBondContact O-N 3.22Å; E242-A246 VanDerWaalsContact O-CB 3.26Å; E242-A246 WeakPolarHBondContact O-CB 3.48Å; E242-A246 PolarHBondContact O-N 3.03Å
243E98.8Very high98.7Very high102 Ų10263.9 Ų63.948%0.47732%0.319SS..Hα-helixtrans-62.9-49.1176.7179.9-177.9-177.400110.9T239 E240 L245 A246 L247T239-E243 HydrophobicContact CG2-CB 3.99Å; T239-E243 HydrophobicContact CG2-CG 3.93Å; E240-E243 PolarHBondContact O-N 3.44Å; E243-L245 PolarHBondContact O-N 3.45Å; E243-A246 PolarHBondContact O-N 2.97Å; E243-L247 HydrophobicContact CG-CD1 3.9Å; E243-L247 HydrophobicContact CG-CG 4.44Å; E243-L247 WeakPolarHBondContact O-CB 3.22Å; E243-L247 WeakPolarHBondContact O-CG 3.47Å; E243-L247 PolarHBondContact O-N 2.81Å
244Y98.9Very high98.7Very high0 Ų066.9 Ų66.90%033%0.333CS..Hα-helixtrans-57.2-49.7-178.6-176.3-84.6000112.1M213 L235 E240 L247 L248 L281 I283 R291M213-Y244 HydrophobicContact CE-CD1 3.71Å; M213-Y244 HydrophobicContact CE-CD2 3.39Å; M213-Y244 HydrophobicContact CE-CE1 3.47Å; M213-Y244 VanDerWaalsContact CE-CE1 3.47Å; M213-Y244 HydrophobicContact CE-CE2 3.15Å; M213-Y244 HydrophobicContact CE-CG 3.65Å; L235-Y244 HydrophobicContact CD1-CD2 3.61Å; L235-Y244 HydrophobicContact CD1-CE2 3.69Å; E240-Y244 VanDerWaalsContact O-CB 3.22Å; E240-Y244 WeakPolarHBondContact O-CB 3.48Å; E240-Y244 PolarHBondContact O-N 3.07Å; Y244-L247 PolarHBondContact O-N 2.86Å; Y244-L248 HydrophobicContact CE1-CD2 4.5Å; Y244-L248 WeakPolarHBondContact O-CB 3.33Å; Y244-L248 PolarHBondContact O-N 2.93Å; Y244-L281 HydrophobicContact CE2-CD1 4.43Å; Y244-I283 HydrophobicContact CD1-CD1 4.08Å; Y244-I283 HydrophobicContact CD1-CG1 4.43Å; Y244-I283 HydrophobicContact CD2-CD1 3.48Å; Y244-I283 VanDerWaalsContact CD2-CD1 3.48Å; Y244-I283 HydrophobicContact CD2-CG1 3.82Å; Y244-I283 HydrophobicContact CE2-CD1 4.28Å; Y244-I283 HydrophobicContact CE2-CG1 4.11Å; Y244-I283 HydrophobicContact CG-CD1 3.37Å; Y244-I283 HydrophobicContact CG-CG1 4.01Å; Y244-R291 HydrophobicContact CE1-CB 4.21Å; Y244-R291 HydrophobicContact CE1-CG 3.81Å; Y244-R291 WeakPolarHBondContact OH-CD 3.2Å
245L98.9Very high98.7Very high19 Ų1962.5 Ų62.510%0.09931%0.312CS..Hα-helixtrans-72.1-31.3-177.3-63.6173.6000111.8D241 E243 K249 K290 R291 I294D241-L245 HydrophobicContact CB-CD1 4.45Å; D241-L245 VanDerWaalsContact O-CB 3.23Å; D241-L245 WeakPolarHBondContact O-CB 3.41Å; D241-L245 WeakPolarHBondContact O-CG 3.44Å; D241-L245 PolarHBondContact O-N 3.45Å; E243-L245 PolarHBondContact O-N 3.45Å; L245-K249 VanDerWaalsContact O-CG 3.26Å; L245-K249 WeakPolarHBondContact O-CG 3.48Å; L245-K249 PolarHBondContact O-N 3.15Å; L245-K249 VanDerWaalsContact O-N 3.1Å; L245-K290 HydrophobicContact CD1-CB 3.97Å; L245-K290 HydrophobicContact CD1-CD 4.11Å; L245-K290 HydrophobicContact CD2-CB 4.25Å; L245-R291 HydrophobicContact CD2-CB 4Å; L245-I294 HydrophobicContact CB-CD1 4.43Å; L245-I294 HydrophobicContact CD2-CD1 3.85Å
246A98.8Very high98.7Very high47 Ų4764 Ų6439%0.38832%0.321SS..Hα-helixtrans-66.2-48.4173.500000111.4E242 E243 L248 K249 N250E242-A246 VanDerWaalsContact O-CB 3.26Å; E242-A246 WeakPolarHBondContact O-CB 3.48Å; E242-A246 PolarHBondContact O-N 3.03Å; E243-A246 PolarHBondContact O-N 2.97Å; A246-L248 VanDerWaalsContact C-N 3.35Å; A246-L248 PolarHBondContact O-N 2.98Å; A246-K249 PolarHBondContact O-N 3.19Å; A246-N250 PolarHBondContact O-N 3.36Å; A246-N250 VanDerWaalsContact O-N 3.11Å; A246-N250 PolarHBondContact O-ND2 3.26Å
247L98.9Very high98.7Very high55 Ų5562.7 Ų62.729%0.28832%0.321SS..Hα-helixtrans-59.5-44.9175.9-72.7172.9000111.5M213 I233 L235 E243 Y244 K249 N250 A251M213-L247 HydrophobicContact SD-CB 4.21Å; I233-L247 HydrophobicContact CG2-CB 4.3Å; I233-L247 HydrophobicContact CG2-CD1 4.27Å; L235-L247 HydrophobicContact CD2-CD1 3.57Å; E243-L247 HydrophobicContact CG-CD1 3.9Å; E243-L247 HydrophobicContact CG-CG 4.44Å; E243-L247 WeakPolarHBondContact O-CB 3.22Å; E243-L247 WeakPolarHBondContact O-CG 3.47Å; E243-L247 PolarHBondContact O-N 2.81Å; Y244-L247 PolarHBondContact O-N 2.86Å; L247-K249 PolarHBondContact O-N 3Å; L247-N250 PolarHBondContact O-N 3.41Å; L247-A251 VanDerWaalsContact O-CB 3.26Å; L247-A251 WeakPolarHBondContact O-CB 3.41Å; L247-A251 PolarHBondContact O-N 3.12Å
248L98.9Very high98.6Very high0 Ų061.6 Ų61.60%032%0.317CS..Hα-helixtrans-59.1-49.1177.8177.760.5000112.5L190 M213 Y244 A246 N250 A251 L252 R291 I294 V295L190-L248 HydrophobicContact CD1-CD1 3.72Å; L190-L248 HydrophobicContact CD1-CD2 3.99Å; L190-L248 HydrophobicContact CD2-CD1 3.78Å; L190-L248 HydrophobicContact CG-CD1 4.44Å; M213-L248 HydrophobicContact CE-CB 4.05Å; M213-L248 HydrophobicContact SD-CB 4.28Å; Y244-L248 HydrophobicContact CE1-CD2 4.5Å; Y244-L248 WeakPolarHBondContact O-CB 3.33Å; Y244-L248 PolarHBondContact O-N 2.93Å; A246-L248 VanDerWaalsContact C-N 3.35Å; A246-L248 PolarHBondContact O-N 2.98Å; L248-N250 VanDerWaalsContact C-N 3.31Å; L248-N250 PolarHBondContact O-N 2.92Å; L248-A251 PolarHBondContact O-N 3.33Å; L248-L252 HydrophobicContact CD1-CD1 3.71Å; L248-L252 HydrophobicContact CD1-CG 3.9Å; L248-L252 HydrophobicContact CG-CD1 3.82Å; L248-L252 HydrophobicContact CG-CG 4.39Å; L248-L252 WeakPolarHBondContact O-CB 3.4Å; L248-L252 WeakPolarHBondContact O-CG 3.06Å; L248-L252 PolarHBondContact O-N 3.5Å; L248-R291 HydrophobicContact CD2-CB 4.25Å; L248-R291 HydrophobicContact CD2-CG 3.63Å; L248-I294 HydrophobicContact CD2-CG2 4.25Å; L248-I294 HydrophobicContact CG-CG2 4.33Å; L248-V295 HydrophobicContact CD2-CG2 4.48Å
249K98.8Very high98.6Very high109 Ų10955.6 Ų55.647%0.47429%0.291SS..Hα-helixtrans-60.2-43.1179.8-74.7171.5-175.9177.10111.6L245 A246 L247 T253 I294L245-K249 VanDerWaalsContact O-CG 3.26Å; L245-K249 WeakPolarHBondContact O-CG 3.48Å; L245-K249 PolarHBondContact O-N 3.15Å; L245-K249 VanDerWaalsContact O-N 3.1Å; A246-K249 PolarHBondContact O-N 3.19Å; L247-K249 PolarHBondContact O-N 3Å; K249-T253 WeakPolarHBondContact O-CB 3.48Å; K249-T253 PolarHBondContact O-N 2.82Å; K249-T253 PolarHBondContact O-OG1 3.1Å; K249-I294 HydrophobicContact CD-CD1 4.36Å; K249-I294 HydrophobicContact CG-CD1 4.08Å; K249-I294 HydrophobicContact CG-CG1 4.46Å; K249-I294 HydrophobicContact CG-CG2 3.96Å
250N98.8Very high98.6Very high97 Ų9762 Ų6252%0.51932%0.318SS..Hα-helixtrans-64.8-48.3177.4-68.5-16.5000110.9A246 L247 L248 L252 T253 E254A246-N250 PolarHBondContact O-N 3.36Å; A246-N250 VanDerWaalsContact O-N 3.11Å; A246-N250 PolarHBondContact O-ND2 3.26Å; L247-N250 PolarHBondContact O-N 3.41Å; L248-N250 VanDerWaalsContact C-N 3.31Å; L248-N250 PolarHBondContact O-N 2.92Å; N250-L252 VanDerWaalsContact C-N 3.35Å; N250-L252 PolarHBondContact O-N 3.29Å; N250-T253 WeakPolarHBondContact O-CB 3.48Å; N250-T253 PolarHBondContact O-N 3.01Å; N250-E254 WeakPolarHBondContact O-CG 3.35Å; N250-E254 PolarHBondContact O-N 3.32Å
251A98.9Very high98.6Very high2 Ų256.3 Ų56.32%0.01729%0.293CS..Hα-helixtrans-59.6-43.1179.500000112.4L211 K231 I233 L247 L248 E254 A255L211-A251 HydrophobicContact CD1-CB 4.01Å; K231-A251 HydrophobicContact CD-CB 4.33Å; K231-A251 HydrophobicContact CG-CB 3.89Å; I233-A251 HydrophobicContact CD1-CB 4.13Å; I233-A251 HydrophobicContact CG1-CB 3.87Å; L247-A251 VanDerWaalsContact O-CB 3.26Å; L247-A251 WeakPolarHBondContact O-CB 3.41Å; L247-A251 PolarHBondContact O-N 3.12Å; L248-A251 PolarHBondContact O-N 3.33Å; A251-E254 PolarHBondContact O-N 3.15Å; A251-A255 WeakPolarHBondContact O-CB 3.27Å; A251-A255 PolarHBondContact O-N 3.28Å
252L98.8Very high98.6Very high1 Ų158 Ų581%0.00530%0.302CS..Hα-helixtrans-66.5-40.4176.3-75.2172.7000112.4V188 L211 L248 N250 T256 I294 V295 T298 F299V188-L252 HydrophobicContact CG1-CD2 4.37Å; V188-L252 HydrophobicContact CG2-CD2 4.25Å; L211-L252 HydrophobicContact CD1-CD2 3.99Å; L211-L252 HydrophobicContact CD1-CG 4.42Å; L248-L252 HydrophobicContact CD1-CD1 3.71Å; L248-L252 HydrophobicContact CD1-CG 3.9Å; L248-L252 HydrophobicContact CG-CD1 3.82Å; L248-L252 HydrophobicContact CG-CG 4.39Å; L248-L252 WeakPolarHBondContact O-CB 3.4Å; L248-L252 WeakPolarHBondContact O-CG 3.06Å; L248-L252 PolarHBondContact O-N 3.5Å; N250-L252 VanDerWaalsContact C-N 3.35Å; N250-L252 PolarHBondContact O-N 3.29Å; L252-T256 WeakPolarHBondContact O-CB 3.32Å; L252-T256 VanDerWaalsContact O-CG2 3.31Å; L252-T256 WeakPolarHBondContact O-CG2 3.39Å; L252-T256 PolarHBondContact O-N 2.97Å; L252-T256 PolarHBondContact O-OG1 2.7Å; L252-I294 HydrophobicContact CD1-CG2 3.67Å; L252-V295 HydrophobicContact CD1-CG2 4.18Å; L252-T298 HydrophobicContact CB-CG2 4.13Å; L252-F299 HydrophobicContact CD2-CE2 3.88Å; L252-F299 HydrophobicContact CD2-CZ 3.92Å
253T98.5Very high98.6Very high93 Ų9349.7 Ų49.757%0.57126%0.263SS*.Hα-helixtrans-61.3-47.5176-600000110.7K249 N250 T256 S257K249-T253 WeakPolarHBondContact O-CB 3.48Å; K249-T253 PolarHBondContact O-N 2.82Å; K249-T253 PolarHBondContact O-OG1 3.1Å; N250-T253 WeakPolarHBondContact O-CB 3.48Å; N250-T253 PolarHBondContact O-N 3.01Å; T253-T256 PolarHBondContact O-OG1 3.15Å; T253-T256 VanDerWaalsContact O-OG1 3.12Å; T253-S257 WeakPolarHBondContact O-CB 3.32Å; T253-S257 PolarHBondContact O-N 3.03Å; T253-S257 VanDerWaalsContact O-N 3.1Å
254E98.6Very high98.6Very high92 Ų9244.9 Ų44.943%0.4324%0.241SC..Hα-helixtrans-66.2-47.9178-67.7175.2179.500111.6K231 N250 A251 T256 S257 E258K231-E254 WeakPolarHBondContact CE-OE2 3.34Å; K231-E254 VanDerWaalsContact NZ-CB 3.29Å; K231-E254 IonicContact NZ-OE2 2.66Å; K231-E254 PolarHBondContact NZ-OE2 3.21Å; N250-E254 WeakPolarHBondContact O-CG 3.35Å; N250-E254 PolarHBondContact O-N 3.32Å; A251-E254 PolarHBondContact O-N 3.15Å; E254-T256 VanDerWaalsContact C-N 3.34Å; E254-T256 PolarHBondContact O-N 3.4Å; E254-S257 WeakPolarHBondContact O-CB 3.4Å; E254-S257 PolarHBondContact O-N 3.49Å; E254-S257 PolarHBondContact O-OG 3.31Å; E254-E258 WeakPolarHBondContact O-CG 3.13Å; E254-E258 PolarHBondContact O-N 3.42Å
255A98.6Very high98.6Very high0 Ų044.9 Ų44.90%024%0.241CC..Hα-helixtrans-59.5-43.5-179.400000112.4M186 Y209 L211 A251 S257 E258 F259M186-A255 HydrophobicContact CE-CB 3.97Å; M186-A255 HydrophobicContact SD-CB 4.29Å; Y209-A255 HydrophobicContact CD1-CB 4.35Å; Y209-A255 HydrophobicContact CE1-CB 3.56Å; L211-A255 HydrophobicContact CD1-CB 4.02Å; A251-A255 WeakPolarHBondContact O-CB 3.27Å; A251-A255 PolarHBondContact O-N 3.28Å; A255-S257 VanDerWaalsContact C-N 3.29Å; A255-S257 PolarHBondContact O-N 2.89Å; A255-E258 PolarHBondContact O-N 2.95Å; A255-F259 PolarHBondContact O-N 2.86Å
256T98Very high98.6Very high32 Ų3244 Ų4420%0.19624%0.236CC..Hα-helixtrans-71-23.5176.555.70000113L252 T253 E254 K260 T298 F299L252-T256 WeakPolarHBondContact O-CB 3.32Å; L252-T256 VanDerWaalsContact O-CG2 3.31Å; L252-T256 WeakPolarHBondContact O-CG2 3.39Å; L252-T256 PolarHBondContact O-N 2.97Å; L252-T256 PolarHBondContact O-OG1 2.7Å; T253-T256 PolarHBondContact O-OG1 3.15Å; T253-T256 VanDerWaalsContact O-OG1 3.12Å; E254-T256 VanDerWaalsContact C-N 3.34Å; E254-T256 PolarHBondContact O-N 3.4Å; T256-K260 VanDerWaalsContact O-CE 3.3Å; T256-K260 WeakPolarHBondContact O-CE 3.37Å; T256-K260 PolarHBondContact O-NZ 2.94Å; T256-T298 HydrophobicContact CG2-CG2 3.77Å; T256-F299 HydrophobicContact CG2-CD1 4.28Å; T256-F299 HydrophobicContact CG2-CE1 3.65Å; T256-F299 HydrophobicContact CG2-CZ 4.3Å
257S97.6Very high98.6Very high86 Ų8641.7 Ų41.760%0.60122%0.217SC*.Hα-helixtrans-73.5-38.1171.580.80000112.2T253 E254 A255T253-S257 WeakPolarHBondContact O-CB 3.32Å; T253-S257 PolarHBondContact O-N 3.03Å; T253-S257 VanDerWaalsContact O-N 3.1Å; E254-S257 WeakPolarHBondContact O-CB 3.4Å; E254-S257 PolarHBondContact O-N 3.49Å; E254-S257 PolarHBondContact O-OG 3.31Å; A255-S257 VanDerWaalsContact C-N 3.29Å; A255-S257 PolarHBondContact O-N 2.89Å
258E98.1Very high98.6Very high78 Ų7839.1 Ų39.136%0.36420%0.204SC..Hα-helixtrans-81.5-27.1-176.4-71.6172.7-146.700113.6Y209 R230 K231 E254 A255Y209-E258 HydrophobicContact CE2-CB 3.96Å; Y209-E258 WeakPolarHBondContact CE2-OE2 3.4Å; Y209-E258 PolarHBondContact OH-OE2 2.87Å; R230-E258 IonicContact CZ-OE2 3.76Å; R230-E258 IonicContact NE-OE2 3.66Å; R230-E258 PolarHBondContact NE-OE2 3.21Å; R230-E258 IonicContact NH2-OE2 3Å; K231-E258 IonicContact NZ-OE1 2.82Å; K231-E258 PolarHBondContact NZ-OE1 3.39Å; E254-E258 WeakPolarHBondContact O-CG 3.13Å; E254-E258 PolarHBondContact O-N 3.42Å; A255-E258 PolarHBondContact O-N 2.95Å
259F98.5Very high98.6Very high12 Ų1239.1 Ų39.15%0.05320%0.204CC..  trans-147.2134.8-170.4-166.5-95.7000112K184 A185 M186 N207 Y209 A255 P261K184-F259 HydrophobicContact CB-CE1 3.81Å; K184-F259 HydrophobicContact CB-CE2 4.49Å; K184-F259 HydrophobicContact CB-CZ 3.56Å; K184-F259 HydrophobicContact CD-CE1 4.43Å; K184-F259 HydrophobicContact CD-CE2 4.02Å; K184-F259 HydrophobicContact CD-CZ 3.88Å; K184-F259 HydrophobicContact CG-CE1 4.45Å; K184-F259 HydrophobicContact CG-CE2 4.29Å; K184-F259 HydrophobicContact CG-CZ 3.79Å; A185-F259 VanDerWaalsContact O-CE1 3.29Å; A185-F259 WeakPolarHBondContact O-CE1 3.26Å; M186-F259 HydrophobicContact CE-CB 4.13Å; M186-F259 HydrophobicContact CE-CD1 4.02Å; N207-F259 WeakPolarHBondContact O-CZ 3.18Å; Y209-F259 VanDerWaalsContact CB-CD1 3.48Å; Y209-F259 HydrophobicContact CD2-CB 3.27Å; Y209-F259 HydrophobicContact CD2-CD1 4.3Å; Y209-F259 AromaticContact CD2-CD2 3.93Å; Y209-F259 HydrophobicContact CD2-CD2 3.93Å; Y209-F259 AromaticContact CD2-CG 3.61Å; Y209-F259 HydrophobicContact CD2-CG 3.61Å; Y209-F259 HydrophobicContact CE2-CB 3.83Å; Y209-F259 HydrophobicContact CG-CB 3.9Å; Y209-F259 HydrophobicContact CG-CD1 4.18Å; Y209-F259 HydrophobicContact CG-CD2 4.45Å; Y209-F259 AromaticContact CG-CG 3.95Å; Y209-F259 HydrophobicContact CG-CG 3.95Å; A255-F259 PolarHBondContact O-N 2.86Å; F259-P261 HydrophobicContact CD1-CB 4.09Å; F259-P261 HydrophobicContact CD1-CG 4.42Å; F259-P261 HydrophobicContact CE1-CB 3.91Å; F259-P261 VanDerWaalsContact O-CD 3.31Å; F259-P261 WeakPolarHBondContact O-CD 3.41Å
260K98Very high98.5Very high139 Ų13934 Ų3460%0.60418%0.182SC*.  trans-111.694.4178.4-57.4-57.2-177.7-174.80108.6K184 T256K184-K260 WeakPolarHBondContact CD-O 3.3Å; T256-K260 VanDerWaalsContact O-CE 3.3Å; T256-K260 WeakPolarHBondContact O-CE 3.37Å; T256-K260 PolarHBondContact O-NZ 2.94Å
261P98.6Very high98.5Very high12 Ų1229.4 Ų29.48%0.07816%0.157CC..  trans-78.515217931-33.1000111.7M186 F259 I263 V264 V306M186-P261 HydrophobicContact CB-CB 3.74Å; M186-P261 HydrophobicContact CB-CG 3.81Å; M186-P261 HydrophobicContact CE-CG 4.25Å; F259-P261 HydrophobicContact CD1-CB 4.09Å; F259-P261 HydrophobicContact CD1-CG 4.42Å; F259-P261 HydrophobicContact CE1-CB 3.91Å; F259-P261 VanDerWaalsContact O-CD 3.31Å; F259-P261 WeakPolarHBondContact O-CD 3.41Å; P261-I263 WeakPolarHBondContact CB-O 3.41Å; P261-V264 HydrophobicContact CG-CG2 4.04Å; P261-V306 HydrophobicContact CG-CG1 4.13Å
262D98.7Very high98.5Very high68 Ų6829.3 Ų29.336%0.36416%0.156SC..SBendtrans-85.3-17.6168-53.1-52.8000111.6I182 S183 K184 P307I182-D262 HydrophobicContact CB-CB 3.85Å; I182-D262 HydrophobicContact CG2-CB 3.81Å; S183-D262 WeakPolarHBondContact CA-OD2 3.17Å; S183-D262 PolarHBondContact N-OD2 3.49Å; K184-D262 PolarHBondContact N-OD2 2.87Å; K184-D262 WeakPolarHBondContact O-CB 3.15Å; K184-D262 PolarHBondContact O-N 3.35Å; D262-P307 VanDerWaalsContact O-CD 3.3Å; D262-P307 WeakPolarHBondContact O-CD 3.43Å
263I98.8Very high98.4Very high0 Ų029.4 Ų29.40%016%0.157CC..EExtended strand (participates in β ladder)trans-154.1149.5174.3-171.7166.5000111A139 L140 L173 L176 I182 A185 M186 P261 P307 V309A139-I263 HydrophobicContact CB-CD1 4.47Å; L140-I263 HydrophobicContact CD2-CB 4.03Å; L140-I263 HydrophobicContact CD2-CD1 3.96Å; L140-I263 HydrophobicContact CD2-CG1 4.37Å; L140-I263 HydrophobicContact CG-CD1 4.01Å; L173-I263 HydrophobicContact CD2-CG2 4.26Å; L176-I263 HydrophobicContact CD1-CD1 3.72Å; L176-I263 HydrophobicContact CD1-CG2 3.87Å; I182-I263 HydrophobicContact CD1-CG2 3.59Å; I182-I263 HydrophobicContact CG2-CB 4.38Å; I182-I263 HydrophobicContact CG2-CG2 3.97Å; A185-I263 WeakPolarHBondContact CA-O 3.47Å; A185-I263 HydrophobicContact CB-CG2 4.05Å; M186-I263 PolarHBondContact N-O 3.35Å; P261-I263 WeakPolarHBondContact CB-O 3.41Å; I263-P307 HydrophobicContact CB-CB 4.43Å; I263-P307 HydrophobicContact CG1-CB 4.09Å; I263-V309 HydrophobicContact CD1-CG1 4.07Å; I263-V309 HydrophobicContact CG1-CG1 4.44Å
264V98.9Very high98.4Very high0 Ų028.6 Ų28.60%015%0.151CC..EExtended strand (participates in β ladder)trans-112.3126.3170.1175.70000110M186 V188 P261 F299 V306 P307 V309M186-V264 HydrophobicContact CB-CG2 4.14Å; M186-V264 CarbonylContact O-C 3.52Å; M186-V264 VanDerWaalsContact O-CA 3.26Å; M186-V264 WeakPolarHBondContact O-CA 3.48Å; V188-V264 HydrophobicContact CB-CG1 4.3Å; V188-V264 HydrophobicContact CG2-CG1 3.9Å; P261-V264 HydrophobicContact CG-CG2 4.04Å; V264-F299 HydrophobicContact CB-CD2 4.28Å; V264-F299 HydrophobicContact CB-CE2 4.37Å; V264-F299 HydrophobicContact CB-CG 4.43Å; V264-F299 HydrophobicContact CG1-CD2 4.05Å; V264-F299 HydrophobicContact CG1-CE2 3.8Å; V264-F299 HydrophobicContact CG1-CZ 4.18Å; V264-F299 HydrophobicContact CG2-CB 4.49Å; V264-F299 HydrophobicContact CG2-CD1 3.46Å; V264-F299 VanDerWaalsContact CG2-CD1 3.46Å; V264-F299 HydrophobicContact CG2-CD2 3.86Å; V264-F299 HydrophobicContact CG2-CE1 3.44Å; V264-F299 VanDerWaalsContact CG2-CE1 3.44Å; V264-F299 HydrophobicContact CG2-CE2 3.87Å; V264-F299 HydrophobicContact CG2-CG 3.67Å; V264-F299 HydrophobicContact CG2-CZ 3.66Å; V264-V306 HydrophobicContact CG2-CG1 3.87Å; V264-P307 PolarHBondContact N-O 3.44Å; V264-V309 WeakPolarHBondContact O-CG1 3.4Å; V264-V309 PolarHBondContact O-N 2.57Å
265V99Very high98.3Very high0 Ų026.7 Ų26.70%016%0.157CC..EExtended strand (participates in β ladder)trans-90.5110.4161-176.90000107.4I169 L173 M186 I187 V188 V309I169-V265 HydrophobicContact CD1-CG1 4.47Å; I169-V265 HydrophobicContact CG1-CG1 4.09Å; I169-V265 HydrophobicContact CG2-CB 4.49Å; I169-V265 HydrophobicContact CG2-CG1 4.01Å; L173-V265 HydrophobicContact CD1-CG2 4.32Å; L173-V265 HydrophobicContact CD2-CG2 3.63Å; L173-V265 HydrophobicContact CG-CG2 3.98Å; M186-V265 PolarHBondContact O-N 2.74Å; I187-V265 WeakPolarHBondContact CA-O 3.38Å; V188-V265 PolarHBondContact N-O 2.92Å; V265-V309 HydrophobicContact CB-CG1 4.16Å; V265-V309 HydrophobicContact CG1-CG1 4.33Å; V265-V309 HydrophobicContact CG2-CG1 3.73Å
266Y98.9Very high98.2Very high0 Ų026.9 Ų26.90%016%0.158CC..EExtended strand (participates in β ladder)trans-97.4106.3176.2176-150.9000109.7V188 L190 A268 R291 D292 V295 F296 V309 M310 V311V188-Y266 HydrophobicContact CB-CD2 4.38Å; V188-Y266 HydrophobicContact CG1-CD2 4.12Å; V188-Y266 HydrophobicContact CG1-CE2 4.5Å; V188-Y266 WeakPolarHBondContact O-CA 3.48Å; V188-Y266 WeakPolarHBondContact O-CD2 3.31Å; L190-Y266 HydrophobicContact CB-CE2 4.07Å; L190-Y266 HydrophobicContact CD1-CE2 3.59Å; L190-Y266 HydrophobicContact CG-CE2 3.83Å; Y266-A268 HydrophobicContact CD1-CB 4.09Å; Y266-A268 HydrophobicContact CD2-CB 4.32Å; Y266-A268 HydrophobicContact CE1-CB 3.64Å; Y266-A268 HydrophobicContact CE2-CB 3.84Å; Y266-A268 HydrophobicContact CG-CB 4.42Å; Y266-A268 VanDerWaalsContact CZ-CB 3.5Å; Y266-A268 PolarHBondContact O-N 2.88Å; Y266-R291 PolarHBondContact OH-NE 2.85Å; Y266-D292 HydrophobicContact CE1-CB 4.31Å; Y266-D292 PolarHBondContact OH-OD1 2.89Å; Y266-V295 HydrophobicContact CD1-CB 4.21Å; Y266-V295 HydrophobicContact CD1-CG1 3.67Å; Y266-V295 HydrophobicContact CD2-CG1 4.04Å; Y266-V295 HydrophobicContact CD2-CG2 4.46Å; Y266-V295 HydrophobicContact CE1-CB 3.99Å; Y266-V295 HydrophobicContact CE1-CG1 3.97Å; Y266-V295 HydrophobicContact CE1-CG2 4.22Å; Y266-V295 HydrophobicContact CE2-CG1 4.37Å; Y266-V295 HydrophobicContact CE2-CG2 4.04Å; Y266-V295 HydrophobicContact CG-CG1 3.71Å; Y266-F296 HydrophobicContact CD1-CD2 4.49Å; Y266-F296 HydrophobicContact CD1-CE2 4.1Å; Y266-F296 HydrophobicContact CE1-CE2 4.46Å; Y266-V309 PolarHBondContact N-O 2.77Å; Y266-M310 HydrophobicContact CD1-CB 4.43Å; Y266-M310 HydrophobicContact CD1-CG 3.99Å; Y266-M310 HydrophobicContact CE1-CE 4.43Å; Y266-M310 HydrophobicContact CE1-CG 4.47Å; Y266-M310 WeakPolarHBondContact O-CA 3.4Å; Y266-V311 PolarHBondContact O-N 2.77Å
267N98.9Very high98Very high0 Ų036 Ų360%019%0.188CC..EExtended strand (participates in β ladder)trans-85.8101.8171.4-170.625.4000109.9H153 I169 V188 D189 L190 G269 V311 S313H153-N267 PolarHBondContact ND1-ND2 2.89Å; I169-N267 HydrophobicContact CD1-CB 4.32Å; V188-N267 PolarHBondContact O-N 3.11Å; D189-N267 HydrophobicContact CB-CB 4.36Å; D189-N267 WeakPolarHBondContact OD1-CB 3.41Å; D189-N267 PolarHBondContact OD1-ND2 3.35Å; D189-N267 PolarHBondContact OD2-ND2 3.21Å; L190-N267 PolarHBondContact N-O 2.87Å; N267-G269 PolarHBondContact O-N 3.07Å; N267-V311 HydrophobicContact CB-CG2 4.06Å; N267-V311 WeakPolarHBondContact OD1-CG2 3.37Å; N267-S313 WeakPolarHBondContact OD1-CB 3.5Å
268A98.8Very high98Very high1 Ų134.8 Ų34.81%0.00818%0.175CC..  trans-99.543.8-169.900000112.4Y266 R291 M310 V311Y266-A268 HydrophobicContact CD1-CB 4.09Å; Y266-A268 HydrophobicContact CD2-CB 4.32Å; Y266-A268 HydrophobicContact CE1-CB 3.64Å; Y266-A268 HydrophobicContact CE2-CB 3.84Å; Y266-A268 HydrophobicContact CG-CB 4.42Å; Y266-A268 VanDerWaalsContact CZ-CB 3.5Å; Y266-A268 PolarHBondContact O-N 2.88Å; A268-R291 PolarHBondContact O-NH2 3.12Å; A268-M310 HydrophobicContact CB-CE 3.36Å; A268-M310 HydrophobicContact CB-CG 3.91Å; A268-M310 HydrophobicContact CB-SD 4.43Å; A268-V311 WeakPolarHBondContact CB-O 3.41Å; A268-V311 PolarHBondContact N-O 2.89Å
269G98.2Very high97.9Very high0 Ų031.1 Ų31.10%016%0.158CC..  trans-49.2141.1175.200000111.6N267 R291N267-G269 PolarHBondContact O-N 3.07Å; G269-R291 PolarHBondContact O-NH1 3.32Å; G269-R291 PolarHBondContact O-NH2 3.11Å
270T98Very high97.9Very high1 Ų131.9 Ų31.91%0.00617%0.165CC..  trans-113.714.3-175.8550000113.1C272 L273 I288 G314 N320 I324T270-C272 PolarHBondContact O-N 2.82Å; T270-L273 WeakPolarHBondContact O-CB 3.27Å; T270-L273 PolarHBondContact O-N 2.95Å; T270-L273 VanDerWaalsContact O-N 3.14Å; T270-I288 HydrophobicContact CG2-CG2 4.16Å; T270-G314 PolarHBondContact N-O 3.11Å; T270-G314 PolarHBondContact OG1-O 3.42Å; T270-G314 VanDerWaalsContact OG1-O 3.11Å; T270-N320 WeakPolarHBondContact CB-ND2 3.34Å; T270-N320 PolarHBondContact O-ND2 3.49Å; T270-N320 PolarHBondContact OG1-ND2 3.14Å; T270-I324 HydrophobicContact CG2-CD1 4.01Å; T270-I324 HydrophobicContact CG2-CG1 3.49Å; T270-I324 VanDerWaalsContact CG2-CG1 3.49Å
271D97.9Very high97.9Very high0 Ų025.4 Ų25.40%014%0.136CC..THydrogen-bonded Turntrans-72.6-3.717149.2-1.2000113.7A192 H193 L273 D276 G279 Y316A192-D271 HydrophobicContact CB-CB 4.28Å; A192-D271 WeakPolarHBondContact CB-OD1 3.21Å; A192-D271 PolarHBondContact N-OD1 2.66Å; H193-D271 IonicContact CE1-OD2 3.12Å; H193-D271 PolarHBondContact CE1-OD2 3.33Å; H193-D271 IonicContact ND1-OD2 2.86Å; H193-D271 PolarHBondContact ND1-OD2 3.49Å; D271-L273 PolarHBondContact O-N 3.16Å; D271-D276 WeakPolarHBondContact CA-OD2 3.41Å; D271-D276 VanDerWaalsContact O-CB 3.22Å; D271-D276 WeakPolarHBondContact O-CB 3.33Å; D271-G279 VanDerWaalsContact O-CA 3.32Å; D271-G279 WeakPolarHBondContact O-CA 3.37Å; D271-Y316 HydrophobicContact CB-CD2 3.64Å; D271-Y316 HydrophobicContact CB-CE2 3.55Å; D271-Y316 VanDerWaalsContact OD2-CE2 3.29Å; D271-Y316 WeakPolarHBondContact OD2-CE2 3.45Å
272C98.2Very high97.9Very high0 Ų026 Ų260%014%0.14CC..THydrogen-bonded Turntrans-77-6.7164.160.20000113.6A192 T270 L281 I283 I288 R291A192-C272 HydrophobicContact CB-CB 4.23Å; T270-C272 PolarHBondContact O-N 2.82Å; C272-L281 HydrophobicContact CB-CB 4.14Å; C272-L281 HydrophobicContact CB-CD1 3.55Å; C272-L281 HydrophobicContact CB-CG 4.41Å; C272-L281 WeakPolarHBondContact O-CB 3.37Å; C272-I283 HydrophobicContact CB-CG1 4.1Å; C272-I283 VanDerWaalsContact O-CB 3.31Å; C272-I283 WeakPolarHBondContact O-CB 3.32Å; C272-I283 WeakPolarHBondContact O-CG1 3.46Å; C272-I283 PolarHBondContact O-N 3.08Å; C272-I283 VanDerWaalsContact O-N 3.17Å; C272-I288 WeakPolarHBondContact SG-CD1 3.17Å; C272-R291 PolarHBondContact SG-NH1 3.26Å; C272-R291 VanDerWaalsContact SG-NH1 3.4Å
273L98.5Very high97.9Very high3 Ų322.7 Ų22.72%0.01612%0.123CC..BIsolated β-bridgetrans-63138.9178.8-175.167.2000111.2T270 D271 G275 D276 I283 A285 I288 V323T270-L273 WeakPolarHBondContact O-CB 3.27Å; T270-L273 PolarHBondContact O-N 2.95Å; T270-L273 VanDerWaalsContact O-N 3.14Å; D271-L273 PolarHBondContact O-N 3.16Å; L273-G275 PolarHBondContact O-N 3.35Å; L273-D276 VanDerWaalsContact O-CB 3.25Å; L273-D276 WeakPolarHBondContact O-CB 3.41Å; L273-D276 PolarHBondContact O-N 3.24Å; L273-I283 CarbonylContact C-O 3.03Å; L273-I283 WeakPolarHBondContact CA-O 3.07Å; L273-I283 WeakPolarHBondContact CD1-O 3.19Å; L273-A285 HydrophobicContact CD1-CB 4.39Å; L273-I288 HydrophobicContact CD1-CG1 4.21Å; L273-V323 HydrophobicContact CD1-CG2 4.38Å; L273-V323 HydrophobicContact CD2-CB 4.5Å; L273-V323 HydrophobicContact CD2-CG2 3.86Å
274V98.3Very high97.9Very high76 Ų7625.4 Ų25.446%0.46114%0.139SC..THydrogen-bonded Turntrans-51.3127.6179.662.20000111.9D276 I283 Q317V274-D276 VanDerWaalsContact C-N 3.35Å; V274-I283 PolarHBondContact N-O 3.03Å; V274-Q317 PolarHBondContact O-NE2 3.06Å
275G96.3Very high97.9Very high52 Ų5227.3 Ų27.354%0.53616%0.156SC..THydrogen-bonded Turntrans83.92.4-178.700000115L273 R277 Q317L273-G275 PolarHBondContact O-N 3.35Å; G275-R277 PolarHBondContact O-N 3.17Å; G275-Q317 PolarHBondContact O-NE2 3.14Å; G275-Q317 VanDerWaalsContact O-NE2 3.14Å
276D96.8Very high97.9Very high4 Ų432.5 Ų32.52%0.02118%0.18CC..  trans-66.5125.8166.6-167.5-60.9000109.5D271 L273 V274 L278 G279 C280 Y316 Q317D271-D276 WeakPolarHBondContact CA-OD2 3.41Å; D271-D276 VanDerWaalsContact O-CB 3.22Å; D271-D276 WeakPolarHBondContact O-CB 3.33Å; L273-D276 VanDerWaalsContact O-CB 3.25Å; L273-D276 WeakPolarHBondContact O-CB 3.41Å; L273-D276 PolarHBondContact O-N 3.24Å; V274-D276 VanDerWaalsContact C-N 3.35Å; D276-L278 PolarHBondContact OD1-N 3.03Å; D276-G279 PolarHBondContact OD1-N 3.17Å; D276-G279 VanDerWaalsContact OD1-N 3.1Å; D276-C280 PolarHBondContact O-N 2.79Å; D276-Y316 WeakPolarHBondContact OD1-CD2 3.41Å; D276-Y316 WeakPolarHBondContact OD2-CB 2.98Å; D276-Y316 WeakPolarHBondContact OD2-CD2 3.21Å; D276-Y316 PolarHBondContact OD2-N 3.06Å; D276-Q317 HydrophobicContact CB-CG 4.12Å
277R93.9Very high97.9Very high224 Ų22432.5 Ų32.585%0.84518%0.18SC*.THydrogen-bonded Turntrans-81.2-15.7-171.3-63.5178.364.7-171.70.1113.6G275G275-R277 PolarHBondContact O-N 3.17Å
278L96Very high97.9Very high61 Ų6132.5 Ų32.532%0.31918%0.18SC..THydrogen-bonded Turntrans-101.1-41.9-179.8-60.5-172.1000110.5P47 F163 I218 D276 Y316P47-L278 HydrophobicContact CB-CD1 4.27Å; P47-L278 HydrophobicContact CG-CD1 4.15Å; F163-L278 HydrophobicContact CE2-CD1 4.21Å; F163-L278 HydrophobicContact CZ-CD1 4.38Å; I218-L278 VanDerWaalsContact CD1-O 3.25Å; I218-L278 WeakPolarHBondContact CD1-O 3.33Å; D276-L278 PolarHBondContact OD1-N 3.03Å; L278-Y316 HydrophobicContact CB-CD2 3.78Å; L278-Y316 HydrophobicContact CB-CE2 3.94Å; L278-Y316 HydrophobicContact CB-CG 4.43Å; L278-Y316 HydrophobicContact CD1-CD1 3.78Å; L278-Y316 HydrophobicContact CD1-CD2 3.85Å; L278-Y316 HydrophobicContact CD1-CE1 3.89Å; L278-Y316 HydrophobicContact CD1-CE2 3.94Å; L278-Y316 HydrophobicContact CD1-CG 3.77Å; L278-Y316 HydrophobicContact CG-CD2 4.1Å; L278-Y316 HydrophobicContact CG-CE2 4.45Å; L278-Y316 HydrophobicContact CG-CG 4.25Å
279G97.6Very high97.9Very high0 Ų034 Ų340%019%0.187CC..THydrogen-bonded Turntrans-76.8-28.8178.900000115.1A192 N215 D271 D276 L281A192-G279 VanDerWaalsContact CB-CA 3.47Å; N215-G279 PolarHBondContact ND2-O 2.8Å; D271-G279 VanDerWaalsContact O-CA 3.32Å; D271-G279 WeakPolarHBondContact O-CA 3.37Å; D276-G279 PolarHBondContact OD1-N 3.17Å; D276-G279 VanDerWaalsContact OD1-N 3.1Å; G279-L281 PolarHBondContact O-N 2.96Å; G279-L281 VanDerWaalsContact O-N 3.16Å
280C97.8Very high97.9Very high29 Ų2938.3 Ų38.320%0.19621%0.206CC..  trans50.637.8175.8-56.20000115.2N215 F237 F238 D276N215-C280 PolarHBondContact ND2-O 2.94Å; F237-C280 HydrophobicContact CD1-CB 3.63Å; F237-C280 HydrophobicContact CE1-CB 3.91Å; F238-C280 PolarHBondContact N-O 3.03Å; D276-C280 PolarHBondContact O-N 2.79Å
281L98.5Very high97.9Very high3 Ų338.3 Ų38.32%0.01621%0.206CC..  trans-110.1171.3169-62.7175.7000109.9A192 N215 L235 D236 Y244 C272 G279 I283A192-L281 HydrophobicContact CB-CD1 4.2Å; N215-L281 HydrophobicContact CB-CD1 4.48Å; N215-L281 HydrophobicContact CB-CD2 4Å; N215-L281 HydrophobicContact CB-CG 4.2Å; L235-L281 HydrophobicContact CB-CD2 4.13Å; L235-L281 HydrophobicContact CD1-CD1 3.83Å; L235-L281 HydrophobicContact CD1-CD2 4.3Å; D236-L281 VanDerWaalsContact O-CD2 3.28Å; D236-L281 WeakPolarHBondContact O-CD2 3.42Å; Y244-L281 HydrophobicContact CE2-CD1 4.43Å; C272-L281 HydrophobicContact CB-CB 4.14Å; C272-L281 HydrophobicContact CB-CD1 3.55Å; C272-L281 HydrophobicContact CB-CG 4.41Å; C272-L281 WeakPolarHBondContact O-CB 3.37Å; G279-L281 PolarHBondContact O-N 2.96Å; G279-L281 VanDerWaalsContact O-N 3.16Å; L281-I283 HydrophobicContact CB-CG1 4.43Å
282S98.5Very high98Very high23 Ų2338.4 Ų38.416%0.16121%0.206CC..BIsolated β-bridgetrans-120.933.4-173.4-62.60000112.6F238 T239F238-S282 VanDerWaalsContact CA-OG 3.31Å; F238-S282 WeakPolarHBondContact CA-OG 3.47Å; F238-S282 WeakPolarHBondContact CB-OG 3.06Å; F238-S282 WeakPolarHBondContact O-CB 3.18Å; F238-S282 PolarHBondContact O-OG 2.94Å; T239-S282 WeakPolarHBondContact O-CA 3.13Å; T239-S282 PolarHBondContact O-N 3.02Å
283I98.7Very high98Very high0 Ų040.1 Ų40.10%022%0.215CC..BIsolated β-bridgetrans-75.3130.9-178.6-49.3-50.7000109.5T239 D241 Y244 C272 L273 V274 L281 I288T239-I283 WeakPolarHBondContact O-CD1 3.43Å; D241-I283 VanDerWaalsContact OD1-CA 3.25Å; D241-I283 WeakPolarHBondContact OD1-CA 3.47Å; D241-I283 WeakPolarHBondContact OD1-CG2 3.44Å; Y244-I283 HydrophobicContact CD1-CD1 4.08Å; Y244-I283 HydrophobicContact CD1-CG1 4.43Å; Y244-I283 HydrophobicContact CD2-CD1 3.48Å; Y244-I283 VanDerWaalsContact CD2-CD1 3.48Å; Y244-I283 HydrophobicContact CD2-CG1 3.82Å; Y244-I283 HydrophobicContact CE2-CD1 4.28Å; Y244-I283 HydrophobicContact CE2-CG1 4.11Å; Y244-I283 HydrophobicContact CG-CD1 3.37Å; Y244-I283 HydrophobicContact CG-CG1 4.01Å; C272-I283 HydrophobicContact CB-CG1 4.1Å; C272-I283 VanDerWaalsContact O-CB 3.31Å; C272-I283 WeakPolarHBondContact O-CB 3.32Å; C272-I283 WeakPolarHBondContact O-CG1 3.46Å; C272-I283 PolarHBondContact O-N 3.08Å; C272-I283 VanDerWaalsContact O-N 3.17Å; L273-I283 CarbonylContact C-O 3.03Å; L273-I283 WeakPolarHBondContact CA-O 3.07Å; L273-I283 WeakPolarHBondContact CD1-O 3.19Å; V274-I283 PolarHBondContact N-O 3.03Å; L281-I283 HydrophobicContact CB-CG1 4.43Å; I283-I288 HydrophobicContact CB-CD1 4.3Å; I283-I288 HydrophobicContact CG2-CD1 3.81Å; I283-I288 HydrophobicContact CG2-CG1 4.14Å
284T98.7Very high98Very high56 Ų5640.8 Ų40.834%0.34422%0.218SC..  trans-77.9165.3178.476.10000111.1D241 E286 G287 I288D241-T284 PolarHBondContact OD1-N 3.04Å; D241-T284 WeakPolarHBondContact OD2-CB 3.33Å; D241-T284 VanDerWaalsContact OD2-CG2 3.29Å; D241-T284 WeakPolarHBondContact OD2-CG2 3.49Å; D241-T284 PolarHBondContact OD2-OG1 3.24Å; T284-E286 PolarHBondContact O-N 3.44Å; T284-E286 PolarHBondContact OG1-N 2.99Å; T284-G287 WeakPolarHBondContact O-CA 3.26Å; T284-G287 PolarHBondContact O-N 3.26Å; T284-G287 PolarHBondContact OG1-N 3.4Å; T284-I288 WeakPolarHBondContact O-CG1 3.44Å; T284-I288 PolarHBondContact O-N 2.88Å
285A98.5Very high98.1Very high41 Ų4137.1 Ų37.134%0.33920%0.196SC..Hα-helixtrans-57.7-39173.200000111.9L273 G287 I288 L289 V323L273-A285 HydrophobicContact CD1-CB 4.39Å; A285-G287 VanDerWaalsContact C-N 3.33Å; A285-I288 PolarHBondContact O-N 3.08Å; A285-L289 VanDerWaalsContact O-CD1 3.23Å; A285-L289 WeakPolarHBondContact O-CD1 3.4Å; A285-L289 PolarHBondContact O-N 3.33Å; A285-L289 VanDerWaalsContact O-N 3.12Å; A285-V323 HydrophobicContact CB-CG1 4.19Å; A285-V323 HydrophobicContact CB-CG2 3.81Å
286E98.7Very high98.2Very high109 Ų10934.7 Ų34.751%0.50917%0.17SC..Hα-helixtrans-63.5-39.8173.7-176.476.3-16700111.3T284 I288 L289 K290T284-E286 PolarHBondContact O-N 3.44Å; T284-E286 PolarHBondContact OG1-N 2.99Å; E286-I288 VanDerWaalsContact C-N 3.35Å; E286-I288 PolarHBondContact O-N 3.09Å; E286-L289 PolarHBondContact O-N 3.38Å; E286-K290 HydrophobicContact CG-CD 4.32Å; E286-K290 WeakPolarHBondContact O-CG 3.2Å; E286-K290 PolarHBondContact O-N 3.1Å; E286-K290 VanDerWaalsContact OE1-CE 3.32Å; E286-K290 WeakPolarHBondContact OE1-CE 3.45Å; E286-K290 IonicContact OE1-NZ 3.33Å
287G98.8Very high98.3Very high0 Ų038.7 Ų38.70%019%0.189CC..Hα-helixtrans-58.6-42.8173.100000112.7T284 A285 K290 R291T284-G287 WeakPolarHBondContact O-CA 3.26Å; T284-G287 PolarHBondContact O-N 3.26Å; T284-G287 PolarHBondContact OG1-N 3.4Å; A285-G287 VanDerWaalsContact C-N 3.33Å; G287-K290 PolarHBondContact O-N 3.17Å; G287-R291 VanDerWaalsContact O-CB 3.32Å; G287-R291 WeakPolarHBondContact O-CB 3.22Å; G287-R291 PolarHBondContact O-N 2.88Å
288I98.8Very high98.5Very high0 Ų029.9 Ų29.90%016%0.16CC..Hα-helixtrans-63.5-45.7175.1-60.9-63000111.6T270 C272 L273 I283 T284 A285 E286 K290 R291 D292 V323T270-I288 HydrophobicContact CG2-CG2 4.16Å; C272-I288 WeakPolarHBondContact SG-CD1 3.17Å; L273-I288 HydrophobicContact CD1-CG1 4.21Å; I283-I288 HydrophobicContact CB-CD1 4.3Å; I283-I288 HydrophobicContact CG2-CD1 3.81Å; I283-I288 HydrophobicContact CG2-CG1 4.14Å; T284-I288 WeakPolarHBondContact O-CG1 3.44Å; T284-I288 PolarHBondContact O-N 2.88Å; A285-I288 PolarHBondContact O-N 3.08Å; E286-I288 VanDerWaalsContact C-N 3.35Å; E286-I288 PolarHBondContact O-N 3.09Å; I288-K290 VanDerWaalsContact C-N 3.3Å; I288-K290 PolarHBondContact O-N 2.95Å; I288-R291 WeakPolarHBondContact O-CB 3.28Å; I288-R291 PolarHBondContact O-N 2.79Å; I288-D292 PolarHBondContact O-N 2.95Å; I288-V323 HydrophobicContact CB-CG1 3.85Å; I288-V323 HydrophobicContact CG1-CG1 4.12Å; I288-V323 HydrophobicContact CG2-CG1 3.82Å
289L98.8Very high98.6Very high31 Ų3127 Ų2716%0.16215%0.145CC..Hα-helixtrans-57.1-46.2176.3-93.564.2000111.1A285 E286 E293 D326 N330A285-L289 VanDerWaalsContact O-CD1 3.23Å; A285-L289 WeakPolarHBondContact O-CD1 3.4Å; A285-L289 PolarHBondContact O-N 3.33Å; A285-L289 VanDerWaalsContact O-N 3.12Å; E286-L289 PolarHBondContact O-N 3.38Å; L289-E293 WeakPolarHBondContact O-CB 3.4Å; L289-E293 PolarHBondContact O-N 2.72Å; L289-D326 HydrophobicContact CD1-CB 4.09Å; L289-N330 HydrophobicContact CD2-CB 4.28Å; L289-N330 HydrophobicContact CG-CB 4.34Å
290K98.9Very high98.6Very high92 Ų9230 Ų3040%0.416%0.156SC..Hα-helixtrans-65.8-41.2177.6-73.2170.9-177.4165.10112.3L245 E286 G287 I288 E293 I294L245-K290 HydrophobicContact CD1-CB 3.97Å; L245-K290 HydrophobicContact CD1-CD 4.11Å; L245-K290 HydrophobicContact CD2-CB 4.25Å; E286-K290 HydrophobicContact CG-CD 4.32Å; E286-K290 WeakPolarHBondContact O-CG 3.2Å; E286-K290 PolarHBondContact O-N 3.1Å; E286-K290 VanDerWaalsContact OE1-CE 3.32Å; E286-K290 WeakPolarHBondContact OE1-CE 3.45Å; E286-K290 IonicContact OE1-NZ 3.33Å; G287-K290 PolarHBondContact O-N 3.17Å; I288-K290 VanDerWaalsContact C-N 3.3Å; I288-K290 PolarHBondContact O-N 2.95Å; K290-E293 PolarHBondContact O-N 2.88Å; K290-I294 WeakPolarHBondContact O-CB 3.29Å; K290-I294 VanDerWaalsContact O-CD1 3.31Å; K290-I294 WeakPolarHBondContact O-CD1 3.38Å; K290-I294 WeakPolarHBondContact O-CG1 3.39Å; K290-I294 PolarHBondContact O-N 3.06Å
291R98.9Very high98.6Very high0 Ų034.6 Ų34.60%018%0.175CC..Hα-helixtrans-56.2-54.4175.9174.9-164.676.1168.50.8110.5L190 Y244 L245 L248 Y266 A268 G269 C272 G287 I288 E293 I294 V295L190-R291 HydrophobicContact CD1-CG 3.59Å; L190-R291 PolarHBondContact O-NH1 3.3Å; L190-R291 VanDerWaalsContact O-NH1 3.15Å; Y244-R291 HydrophobicContact CE1-CB 4.21Å; Y244-R291 HydrophobicContact CE1-CG 3.81Å; Y244-R291 WeakPolarHBondContact OH-CD 3.2Å; L245-R291 HydrophobicContact CD2-CB 4Å; L248-R291 HydrophobicContact CD2-CB 4.25Å; L248-R291 HydrophobicContact CD2-CG 3.63Å; Y266-R291 PolarHBondContact OH-NE 2.85Å; A268-R291 PolarHBondContact O-NH2 3.12Å; G269-R291 PolarHBondContact O-NH1 3.32Å; G269-R291 PolarHBondContact O-NH2 3.11Å; C272-R291 PolarHBondContact SG-NH1 3.26Å; C272-R291 VanDerWaalsContact SG-NH1 3.4Å; G287-R291 VanDerWaalsContact O-CB 3.32Å; G287-R291 WeakPolarHBondContact O-CB 3.22Å; G287-R291 PolarHBondContact O-N 2.88Å; I288-R291 WeakPolarHBondContact O-CB 3.28Å; I288-R291 PolarHBondContact O-N 2.79Å; R291-E293 VanDerWaalsContact C-N 3.31Å; R291-E293 PolarHBondContact O-N 3.42Å; R291-I294 PolarHBondContact O-N 2.77Å; R291-V295 WeakPolarHBondContact O-CG2 3.46Å; R291-V295 PolarHBondContact O-N 2.83Å; R291-V295 VanDerWaalsContact O-N 3.12Å
292D98.9Very high98.5Very high2 Ų236.2 Ų36.21%0.01119%0.188CC..Hα-helixtrans-63.9-41.2-177.2-63.38.5000110Y266 I288 I294 V295 F296 M310 S327 L331Y266-D292 HydrophobicContact CE1-CB 4.31Å; Y266-D292 PolarHBondContact OH-OD1 2.89Å; I288-D292 PolarHBondContact O-N 2.95Å; D292-I294 PolarHBondContact O-N 2.89Å; D292-V295 PolarHBondContact O-N 3.22Å; D292-F296 WeakPolarHBondContact O-CD2 3.25Å; D292-F296 PolarHBondContact O-N 2.85Å; D292-M310 WeakPolarHBondContact OD2-CE 3.31Å; D292-S327 VanDerWaalsContact CB-OG 3.27Å; D292-S327 WeakPolarHBondContact CB-OG 3.2Å; D292-S327 WeakPolarHBondContact OD2-CB 3.4Å; D292-S327 PolarHBondContact OD2-OG 3.14Å; D292-L331 HydrophobicContact CB-CD1 4.34Å
293E98.8Very high98.4Very high37 Ų3741.1 Ų41.117%0.17322%0.223CC..Hα-helixtrans-59-44.8173.9179166.516900112.4L289 K290 R291 V295 F296 Q297 N330 K334 Y336L289-E293 WeakPolarHBondContact O-CB 3.4Å; L289-E293 PolarHBondContact O-N 2.72Å; K290-E293 PolarHBondContact O-N 2.88Å; R291-E293 VanDerWaalsContact C-N 3.31Å; R291-E293 PolarHBondContact O-N 3.42Å; E293-V295 VanDerWaalsContact C-N 3.34Å; E293-V295 PolarHBondContact O-N 2.68Å; E293-F296 PolarHBondContact O-N 3.22Å; E293-Q297 WeakPolarHBondContact O-CB 3.33Å; E293-Q297 PolarHBondContact O-N 2.92Å; E293-N330 PolarHBondContact OE2-ND2 3.12Å; E293-K334 IonicContact OE1-NZ 2.73Å; E293-K334 PolarHBondContact OE1-NZ 3.43Å; E293-K334 IonicContact OE2-NZ 3.2Å; E293-K334 PolarHBondContact OE2-NZ 3.4Å; E293-Y336 HydrophobicContact CG-CE2 4.04Å
294I98.9Very high98.2Very high16 Ų1646.5 Ų46.58%0.08226%0.258CS..Hα-helixtrans-60.8-42.7178.4-73.1158.7000111.2L245 L248 K249 L252 K290 R291 D292 T298L245-I294 HydrophobicContact CB-CD1 4.43Å; L245-I294 HydrophobicContact CD2-CD1 3.85Å; L248-I294 HydrophobicContact CD2-CG2 4.25Å; L248-I294 HydrophobicContact CG-CG2 4.33Å; K249-I294 HydrophobicContact CD-CD1 4.36Å; K249-I294 HydrophobicContact CG-CD1 4.08Å; K249-I294 HydrophobicContact CG-CG1 4.46Å; K249-I294 HydrophobicContact CG-CG2 3.96Å; L252-I294 HydrophobicContact CD1-CG2 3.67Å; K290-I294 WeakPolarHBondContact O-CB 3.29Å; K290-I294 VanDerWaalsContact O-CD1 3.31Å; K290-I294 WeakPolarHBondContact O-CD1 3.38Å; K290-I294 WeakPolarHBondContact O-CG1 3.39Å; K290-I294 PolarHBondContact O-N 3.06Å; R291-I294 PolarHBondContact O-N 2.77Å; D292-I294 PolarHBondContact O-N 2.89Å; I294-T298 WeakPolarHBondContact O-CB 3.5Å; I294-T298 PolarHBondContact O-N 3.16Å; I294-T298 PolarHBondContact O-OG1 3.05Å
295V98.9Very high98.1Very high0 Ų046 Ų460%026%0.259CS..Hα-helixtrans-63.4-51.3178.6174.40000110.2V188 L190 L248 L252 Y266 R291 D292 E293 Q297 T298 F299V188-V295 HydrophobicContact CG1-CG2 4.43Å; L190-V295 HydrophobicContact CD1-CG2 3.79Å; L248-V295 HydrophobicContact CD2-CG2 4.48Å; L252-V295 HydrophobicContact CD1-CG2 4.18Å; Y266-V295 HydrophobicContact CD1-CB 4.21Å; Y266-V295 HydrophobicContact CD1-CG1 3.67Å; Y266-V295 HydrophobicContact CD2-CG1 4.04Å; Y266-V295 HydrophobicContact CD2-CG2 4.46Å; Y266-V295 HydrophobicContact CE1-CB 3.99Å; Y266-V295 HydrophobicContact CE1-CG1 3.97Å; Y266-V295 HydrophobicContact CE1-CG2 4.22Å; Y266-V295 HydrophobicContact CE2-CG1 4.37Å; Y266-V295 HydrophobicContact CE2-CG2 4.04Å; Y266-V295 HydrophobicContact CG-CG1 3.71Å; R291-V295 WeakPolarHBondContact O-CG2 3.46Å; R291-V295 PolarHBondContact O-N 2.83Å; R291-V295 VanDerWaalsContact O-N 3.12Å; D292-V295 PolarHBondContact O-N 3.22Å; E293-V295 VanDerWaalsContact C-N 3.34Å; E293-V295 PolarHBondContact O-N 2.68Å; V295-Q297 PolarHBondContact O-N 3.18Å; V295-T298 PolarHBondContact O-N 3.02Å; V295-F299 HydrophobicContact CG1-CD2 4Å; V295-F299 HydrophobicContact CG1-CE2 4.01Å; V295-F299 WeakPolarHBondContact O-CD2 3.25Å; V295-F299 PolarHBondContact O-N 2.82Å
296F98.8Very high98.1Very high0 Ų044.8 Ų44.80%025%0.247CC..Hα-helixtrans-62.5-44.9178.3-88-96.3000112A144 Y266 D292 E293 T298 F299 R300 V308 M310 L331 Y336 L337A144-F296 HydrophobicContact CB-CE1 3.98Å; Y266-F296 HydrophobicContact CD1-CD2 4.49Å; Y266-F296 HydrophobicContact CD1-CE2 4.1Å; Y266-F296 HydrophobicContact CE1-CE2 4.46Å; D292-F296 WeakPolarHBondContact O-CD2 3.25Å; D292-F296 PolarHBondContact O-N 2.85Å; E293-F296 PolarHBondContact O-N 3.22Å; F296-T298 VanDerWaalsContact C-N 3.31Å; F296-T298 PolarHBondContact O-N 3.39Å; F296-F299 PolarHBondContact O-N 3.24Å; F296-R300 HydrophobicContact CD1-CG 4.11Å; F296-R300 WeakPolarHBondContact O-CB 3.23Å; F296-R300 WeakPolarHBondContact O-CG 3.39Å; F296-R300 PolarHBondContact O-N 3.08Å; F296-V308 HydrophobicContact CD1-CB 4.45Å; F296-V308 HydrophobicContact CE1-CB 4.14Å; F296-V308 HydrophobicContact CE1-CG1 4.11Å; F296-V308 HydrophobicContact CE2-CG1 4.23Å; F296-V308 HydrophobicContact CZ-CB 4.47Å; F296-V308 HydrophobicContact CZ-CG1 3.96Å; F296-M310 HydrophobicContact CE2-CB 4.39Å; F296-M310 HydrophobicContact CE2-SD 3.91Å; F296-M310 HydrophobicContact CZ-CB 4.22Å; F296-M310 HydrophobicContact CZ-SD 4.28Å; F296-L331 HydrophobicContact CB-CD2 3.85Å; F296-L331 HydrophobicContact CD2-CD1 3.65Å; F296-L331 HydrophobicContact CD2-CD2 3.64Å; F296-L331 HydrophobicContact CD2-CG 4.3Å; F296-L331 HydrophobicContact CE2-CD1 3.44Å; F296-L331 VanDerWaalsContact CE2-CD1 3.44Å; F296-L331 HydrophobicContact CE2-CD2 4.31Å; F296-L331 HydrophobicContact CE2-CG 4.49Å; F296-L331 HydrophobicContact CG-CD1 4.36Å; F296-L331 HydrophobicContact CG-CD2 3.76Å; F296-L331 HydrophobicContact CZ-CD1 3.97Å; F296-Y336 HydrophobicContact CB-CD1 4.16Å; F296-Y336 HydrophobicContact CB-CD2 3.98Å; F296-Y336 HydrophobicContact CB-CG 3.79Å; F296-Y336 HydrophobicContact CD1-CG 4.41Å; F296-Y336 HydrophobicContact CG-CG 4.46Å; F296-L337 HydrophobicContact CE1-CD2 3.91Å; F296-L337 HydrophobicContact CE1-CG 4.12Å; F296-L337 HydrophobicContact CZ-CD1 4.48Å; F296-L337 HydrophobicContact CZ-CD2 4.21Å; F296-L337 HydrophobicContact CZ-CG 4.39Å
297Q98.6Very high98.1Very high88 Ų8840.6 Ų40.641%0.41123%0.23SC..Hα-helixtrans-55.1-47.8175.8-175.8-179.9-1.900111.3E293 V295 F299 H301 Y336E293-Q297 WeakPolarHBondContact O-CB 3.33Å; E293-Q297 PolarHBondContact O-N 2.92Å; V295-Q297 PolarHBondContact O-N 3.18Å; Q297-F299 PolarHBondContact O-N 3.07Å; Q297-H301 WeakPolarHBondContact O-CB 3.02Å; Q297-H301 PolarHBondContact O-N 3.4Å; Q297-Y336 HydrophobicContact CB-CE1 4.46Å; Q297-Y336 VanDerWaalsContact CB-OH 3.31Å; Q297-Y336 WeakPolarHBondContact CB-OH 3.41Å; Q297-Y336 WeakPolarHBondContact CG-OH 3.49Å
298T98.7Very high98.1Very high39 Ų3940.6 Ų40.624%0.23923%0.23CC..Hα-helixtrans-56.7-48-178.2-63.80000111.7L252 T256 I294 V295 F296 A302L252-T298 HydrophobicContact CB-CG2 4.13Å; T256-T298 HydrophobicContact CG2-CG2 3.77Å; I294-T298 WeakPolarHBondContact O-CB 3.5Å; I294-T298 PolarHBondContact O-N 3.16Å; I294-T298 PolarHBondContact O-OG1 3.05Å; V295-T298 PolarHBondContact O-N 3.02Å; F296-T298 VanDerWaalsContact C-N 3.31Å; F296-T298 PolarHBondContact O-N 3.39Å; T298-A302 PolarHBondContact O-N 3.28Å
299F98.7Very high98.1Very high1 Ų140.6 Ų40.60%0.00423%0.23CC..Hα-helixtrans-89.2-36.7-172.9-66.2-62.9000113.3M186 V188 L252 T256 V264 V295 F296 Q297 H301 A302 V306 V308M186-F299 HydrophobicContact SD-CE1 3.83Å; M186-F299 HydrophobicContact SD-CZ 3.58Å; M186-F299 VanDerWaalsContact SD-CZ 3.58Å; V188-F299 HydrophobicContact CG2-CE2 3.89Å; V188-F299 HydrophobicContact CG2-CZ 3.88Å; L252-F299 HydrophobicContact CD2-CE2 3.88Å; L252-F299 HydrophobicContact CD2-CZ 3.92Å; T256-F299 HydrophobicContact CG2-CD1 4.28Å; T256-F299 HydrophobicContact CG2-CE1 3.65Å; T256-F299 HydrophobicContact CG2-CZ 4.3Å; V264-F299 HydrophobicContact CB-CD2 4.28Å; V264-F299 HydrophobicContact CB-CE2 4.37Å; V264-F299 HydrophobicContact CB-CG 4.43Å; V264-F299 HydrophobicContact CG1-CD2 4.05Å; V264-F299 HydrophobicContact CG1-CE2 3.8Å; V264-F299 HydrophobicContact CG1-CZ 4.18Å; V264-F299 HydrophobicContact CG2-CB 4.49Å; V264-F299 HydrophobicContact CG2-CD1 3.46Å; V264-F299 VanDerWaalsContact CG2-CD1 3.46Å; V264-F299 HydrophobicContact CG2-CD2 3.86Å; V264-F299 HydrophobicContact CG2-CE1 3.44Å; V264-F299 VanDerWaalsContact CG2-CE1 3.44Å; V264-F299 HydrophobicContact CG2-CE2 3.87Å; V264-F299 HydrophobicContact CG2-CG 3.67Å; V264-F299 HydrophobicContact CG2-CZ 3.66Å; V295-F299 HydrophobicContact CG1-CD2 4Å; V295-F299 HydrophobicContact CG1-CE2 4.01Å; V295-F299 WeakPolarHBondContact O-CD2 3.25Å; V295-F299 PolarHBondContact O-N 2.82Å; F296-F299 PolarHBondContact O-N 3.24Å; Q297-F299 PolarHBondContact O-N 3.07Å; F299-H301 VanDerWaalsContact C-N 3.35Å; F299-A302 WeakPolarHBondContact O-CB 3.34Å; F299-A302 PolarHBondContact O-N 3.1Å; F299-V306 HydrophobicContact CB-CB 4.15Å; F299-V306 HydrophobicContact CD1-CB 4.34Å; F299-V306 PolarHBondContact O-N 3.21Å; F299-V308 HydrophobicContact CB-CG2 3.65Å; F299-V308 HydrophobicContact CD2-CG2 4.42Å; F299-V308 HydrophobicContact CG-CG2 4.38Å
300R97.6Very high98.1Very high63 Ų6339.1 Ų39.124%0.23822%0.222CC..Hα-helixtrans-74.4-24.5179-60.1-55.8-58.9138.32.9112.8G143 F296 A305 V306 V308 Y336G143-R300 PolarHBondContact O-NH1 2.95Å; F296-R300 HydrophobicContact CD1-CG 4.11Å; F296-R300 WeakPolarHBondContact O-CB 3.23Å; F296-R300 WeakPolarHBondContact O-CG 3.39Å; F296-R300 PolarHBondContact O-N 3.08Å; R300-A305 VanDerWaalsContact O-CB 3.25Å; R300-A305 WeakPolarHBondContact O-CB 3.26Å; R300-V306 PolarHBondContact NH1-O 3.43Å; R300-V306 VanDerWaalsContact NH1-O 3.09Å; R300-V308 HydrophobicContact CG-CG2 4.49Å; R300-Y336 HydrophobicContact CB-CD1 3.94Å; R300-Y336 HydrophobicContact CB-CE1 4.27Å; R300-Y336 HydrophobicContact CG-CD1 4.09Å
301H96.9Very high98.1Very high126 Ų12634.8 Ų34.858%0.58320%0.203SC*.THydrogen-bonded Turntrans-96.83.2172.6-60.8170000114Q297 F299 Y336Q297-H301 WeakPolarHBondContact O-CB 3.02Å; Q297-H301 PolarHBondContact O-N 3.4Å; F299-H301 VanDerWaalsContact C-N 3.35Å; H301-Y336 AromaticContact CE1-CE1 3.98Å; H301-Y336 PolarHBondContact CE1-OH 3.01Å; H301-Y336 AromaticContact NE2-CE1 3.61Å
302A97.3Very high98.1Very high36 Ų3634.8 Ų34.830%0.29820%0.203SC..SBendtrans-60159.8168.600000110.7T298 F299 P304 A305 V306T298-A302 PolarHBondContact O-N 3.28Å; F299-A302 WeakPolarHBondContact O-CB 3.34Å; F299-A302 PolarHBondContact O-N 3.1Å; A302-P304 CarbonylContact C-O 3.53Å; A302-P304 WeakPolarHBondContact CB-O 3.1Å; A302-P304 CarbonylContact O-C 3.33Å; A302-A305 VanDerWaalsContact O-CA 3.25Å; A302-A305 WeakPolarHBondContact O-CA 3.25Å; A302-A305 PolarHBondContact O-N 3.21Å; A302-V306 HydrophobicContact CB-CG2 4.16Å
303S94.8Very high97.9Very high127 Ų12735.3 Ų35.389%0.88821%0.207SC*.SBendtrans-121.3105.9174.8-170.50000109.8
304P95.2Very high97.7Very high113 Ų11333.6 Ų33.673%0.73420%0.2SC*.SBendcis-69.2161-4.632.8-36.6000112.5A302 V306A302-P304 CarbonylContact C-O 3.53Å; A302-P304 WeakPolarHBondContact CB-O 3.1Å; A302-P304 CarbonylContact O-C 3.33Å; P304-V306 PolarHBondContact O-N 3.27Å
305A97.6Very high97.4Very high45 Ų4532.9 Ų32.937%0.37220%0.196SC..PPolyproline II helixtrans-64.2132.5176.100000110.1R300 A302R300-A305 VanDerWaalsContact O-CB 3.25Å; R300-A305 WeakPolarHBondContact O-CB 3.26Å; A302-A305 VanDerWaalsContact O-CA 3.25Å; A302-A305 WeakPolarHBondContact O-CA 3.25Å; A302-A305 PolarHBondContact O-N 3.21Å
306V98.6Very high97.1Very high15 Ų1534.4 Ų34.49%0.09120%0.202CC..PPolyproline II helixtrans-92.7131.8-178-179.50000109.9P261 V264 F299 R300 A302 P304P261-V306 HydrophobicContact CG-CG1 4.13Å; V264-V306 HydrophobicContact CG2-CG1 3.87Å; F299-V306 HydrophobicContact CB-CB 4.15Å; F299-V306 HydrophobicContact CD1-CB 4.34Å; F299-V306 PolarHBondContact O-N 3.21Å; R300-V306 PolarHBondContact NH1-O 3.43Å; R300-V306 VanDerWaalsContact NH1-O 3.09Å; A302-V306 HydrophobicContact CB-CG2 4.16Å; P304-V306 PolarHBondContact O-N 3.27Å
307P98.2Very high96.7Very high21 Ų2136.1 Ų36.114%0.13621%0.21CC..PPolyproline II helixtrans-53.8134.4168.2-33.439.3000114.4A139 L140 G143 D262 I263 V264A139-P307 WeakPolarHBondContact O-CB 3.21Å; L140-P307 HydrophobicContact CD2-CB 4.14Å; L140-P307 HydrophobicContact CD2-CG 4.07Å; G143-P307 VanDerWaalsContact O-CA 3.25Å; G143-P307 WeakPolarHBondContact O-CA 3.29Å; D262-P307 VanDerWaalsContact O-CD 3.3Å; D262-P307 WeakPolarHBondContact O-CD 3.43Å; I263-P307 HydrophobicContact CB-CB 4.43Å; I263-P307 HydrophobicContact CG1-CB 4.09Å; V264-P307 PolarHBondContact N-O 3.44Å
308V98.8Very high96.2Very high0 Ų036.4 Ų36.40%022%0.221CC..EExtended strand (participates in β ladder)trans-120.1121.3176.4-175.70000110.6A139 G143 A144 A145 F296 F299 R300A139-V308 WeakPolarHBondContact CB-O 3.14Å; G143-V308 PolarHBondContact O-N 2.8Å; G143-V308 VanDerWaalsContact O-N 3.09Å; A144-V308 CarbonylContact C-O 3.18Å; A144-V308 VanDerWaalsContact CA-O 3.25Å; A144-V308 WeakPolarHBondContact CA-O 3.29Å; A145-V308 PolarHBondContact N-O 3.02Å; F296-V308 HydrophobicContact CD1-CB 4.45Å; F296-V308 HydrophobicContact CE1-CB 4.14Å; F296-V308 HydrophobicContact CE1-CG1 4.11Å; F296-V308 HydrophobicContact CE2-CG1 4.23Å; F296-V308 HydrophobicContact CZ-CB 4.47Å; F296-V308 HydrophobicContact CZ-CG1 3.96Å; F299-V308 HydrophobicContact CB-CG2 3.65Å; F299-V308 HydrophobicContact CD2-CG2 4.42Å; F299-V308 HydrophobicContact CG-CG2 4.38Å; R300-V308 HydrophobicContact CG-CG2 4.49Å
309V98.7Very high95.9Very high0 Ų037.8 Ų37.80%023%0.227CC..EExtended strand (participates in β ladder)trans-103.9118.6165.4570000109.6A135 A139 A145 I263 V264 V265 Y266A135-V309 HydrophobicContact CB-CG2 3.71Å; A139-V309 HydrophobicContact CB-CB 3.98Å; A145-V309 CarbonylContact O-C 3.6Å; A145-V309 WeakPolarHBondContact O-CA 3.31Å; I263-V309 HydrophobicContact CD1-CG1 4.07Å; I263-V309 HydrophobicContact CG1-CG1 4.44Å; V264-V309 WeakPolarHBondContact O-CG1 3.4Å; V264-V309 PolarHBondContact O-N 2.57Å; V265-V309 HydrophobicContact CB-CG1 4.16Å; V265-V309 HydrophobicContact CG1-CG1 4.33Å; V265-V309 HydrophobicContact CG2-CG1 3.73Å; Y266-V309 PolarHBondContact N-O 2.77Å
310M98.9Very high95.8Very high1 Ų137.7 Ų37.71%0.00523%0.227CC..EExtended strand (participates in β ladder)trans-98.7136.2178.6-175.1-175.3-179.900110.8A145 V146 N147 Y266 A268 D292 F296 L328 L331A145-M310 PolarHBondContact O-N 3.28Å; V146-M310 WeakPolarHBondContact CA-O 3.38Å; V146-M310 HydrophobicContact CG1-CB 4.36Å; V146-M310 HydrophobicContact CG1-SD 4.41Å; V146-M310 HydrophobicContact CG2-CB 4.15Å; V146-M310 HydrophobicContact CG2-SD 4.3Å; N147-M310 PolarHBondContact N-O 3.39Å; Y266-M310 HydrophobicContact CD1-CB 4.43Å; Y266-M310 HydrophobicContact CD1-CG 3.99Å; Y266-M310 HydrophobicContact CE1-CE 4.43Å; Y266-M310 HydrophobicContact CE1-CG 4.47Å; Y266-M310 WeakPolarHBondContact O-CA 3.4Å; A268-M310 HydrophobicContact CB-CE 3.36Å; A268-M310 HydrophobicContact CB-CG 3.91Å; A268-M310 HydrophobicContact CB-SD 4.43Å; D292-M310 WeakPolarHBondContact OD2-CE 3.31Å; F296-M310 HydrophobicContact CE2-CB 4.39Å; F296-M310 HydrophobicContact CE2-SD 3.91Å; F296-M310 HydrophobicContact CZ-CB 4.22Å; F296-M310 HydrophobicContact CZ-SD 4.28Å; M310-L328 HydrophobicContact CE-CD2 4.14Å; M310-L328 HydrophobicContact SD-CD2 3.72Å; M310-L331 HydrophobicContact SD-CD1 4.19Å
311V98.9Very high95.7Very high0 Ų034.8 Ų34.80%022%0.216CC..EExtended strand (participates in β ladder)trans-127.5155.6170.4-63.80000109T132 N147 G151 Y266 N267 A268T132-V311 HydrophobicContact CG2-CG1 3.82Å; N147-V311 HydrophobicContact CB-CG1 4.18Å; G151-V311 VanDerWaalsContact CA-CG2 3.46Å; Y266-V311 PolarHBondContact O-N 2.77Å; N267-V311 HydrophobicContact CB-CG2 4.06Å; N267-V311 WeakPolarHBondContact OD1-CG2 3.37Å; A268-V311 WeakPolarHBondContact CB-O 3.41Å; A268-V311 PolarHBondContact N-O 2.89Å
312T98.1Very high95.7Very high0 Ų033.9 Ų33.90%021%0.21CC..  trans-107.3-7.4-164.466.40000116.8K52 I148 G314 I324K52-T312 PolarHBondContact NZ-O 3.11Å; I148-T312 WeakPolarHBondContact O-CB 3.47Å; I148-T312 WeakPolarHBondContact O-CG2 3.18Å; I148-T312 PolarHBondContact O-OG1 3.46Å; T312-G314 PolarHBondContact O-N 3.41Å; T312-I324 HydrophobicContact CG2-CG2 4.09Å
313S95.9Very high95.8Very high14 Ų1432.4 Ų32.410%0.09820%0.198CC..  trans28.6-123.9174.4-172.20000115.7K52 G150 G151 D191 N267K52-S313 PolarHBondContact NZ-O 3.08Å; G150-S313 WeakPolarHBondContact O-CA 3.26Å; G150-S313 PolarHBondContact O-N 2.99Å; G150-S313 VanDerWaalsContact O-N 3.15Å; G151-S313 VanDerWaalsContact O-CB 3.25Å; G151-S313 WeakPolarHBondContact O-CB 3.48Å; G151-S313 PolarHBondContact O-OG 3.27Å; D191-S313 VanDerWaalsContact OD2-CB 3.27Å; D191-S313 WeakPolarHBondContact OD2-CB 3.42Å; D191-S313 PolarHBondContact OD2-OG 3.38Å; N267-S313 WeakPolarHBondContact OD1-CB 3.5Å
314G93.1Very high96Very high1 Ų126.4 Ų26.41%0.0116%0.156CC..  trans-68.6168-169.400000114.5K52 D191 T270 T312K52-G314 PolarHBondContact NZ-O 2.92Å; D191-G314 WeakPolarHBondContact OD2-CA 3.4Å; D191-G314 PolarHBondContact OD2-N 3.46Å; T270-G314 PolarHBondContact N-O 3.11Å; T270-G314 PolarHBondContact OG1-O 3.42Å; T270-G314 VanDerWaalsContact OG1-O 3.11Å; T312-G314 PolarHBondContact O-N 3.41Å
315G93.5Very high96.1Very high0 Ų021 Ų210%012%0.121CC..  trans137.8105.9-176.400000109.5N320G315-N320 WeakPolarHBondContact CA-ND2 3.29Å
316Y91.9Very high96.2Very high32 Ų3220.3 Ų20.313%0.12511%0.111CC..  trans-115.223.5-167.7-51.5-81000112.2P47 F48 F163 H193 D271 D276 L278 N320P47-Y316 HydrophobicContact CB-CD1 4.46Å; F48-Y316 HydrophobicContact CB-CD1 3.94Å; F48-Y316 HydrophobicContact CB-CE1 4Å; F48-Y316 AromaticContact CD2-CD1 3.93Å; F48-Y316 HydrophobicContact CD2-CD1 3.93Å; F48-Y316 AromaticContact CD2-CE1 3.6Å; F48-Y316 HydrophobicContact CD2-CE1 3.6Å; F48-Y316 HydrophobicContact CG-CD1 4.44Å; F48-Y316 HydrophobicContact CG-CE1 4.29Å; F163-Y316 AromaticContact CD2-CE1 3.76Å; F163-Y316 HydrophobicContact CD2-CE1 3.76Å; F163-Y316 HydrophobicContact CE2-CD1 4.39Å; F163-Y316 AromaticContact CE2-CE1 3.42Å; F163-Y316 HydrophobicContact CE2-CE1 3.42Å; F163-Y316 VanDerWaalsContact CE2-CE1 3.42Å; F163-Y316 AromaticContact CE2-CZ 3.84Å; H193-Y316 AromaticContact CE1-CE2 3.89Å; D271-Y316 HydrophobicContact CB-CD2 3.64Å; D271-Y316 HydrophobicContact CB-CE2 3.55Å; D271-Y316 VanDerWaalsContact OD2-CE2 3.29Å; D271-Y316 WeakPolarHBondContact OD2-CE2 3.45Å; D276-Y316 WeakPolarHBondContact OD1-CD2 3.41Å; D276-Y316 WeakPolarHBondContact OD2-CB 2.98Å; D276-Y316 WeakPolarHBondContact OD2-CD2 3.21Å; D276-Y316 PolarHBondContact OD2-N 3.06Å; L278-Y316 HydrophobicContact CB-CD2 3.78Å; L278-Y316 HydrophobicContact CB-CE2 3.94Å; L278-Y316 HydrophobicContact CB-CG 4.43Å; L278-Y316 HydrophobicContact CD1-CD1 3.78Å; L278-Y316 HydrophobicContact CD1-CD2 3.85Å; L278-Y316 HydrophobicContact CD1-CE1 3.89Å; L278-Y316 HydrophobicContact CD1-CE2 3.94Å; L278-Y316 HydrophobicContact CD1-CG 3.77Å; L278-Y316 HydrophobicContact CG-CD2 4.1Å; L278-Y316 HydrophobicContact CG-CE2 4.45Å; L278-Y316 HydrophobicContact CG-CG 4.25Å; Y316-N320 PolarHBondContact N-OD1 3.17Å
317Q91.1Very high96.2Very high36 Ų3619.6 Ų19.617%0.16811%0.107CC..SBendtrans-121.4152.8177.2-48.2173.4-76.300111V274 G275 D276 N319 N320V274-Q317 PolarHBondContact O-NE2 3.06Å; G275-Q317 PolarHBondContact O-NE2 3.14Å; G275-Q317 VanDerWaalsContact O-NE2 3.14Å; D276-Q317 HydrophobicContact CB-CG 4.12Å; Q317-N319 WeakPolarHBondContact CB-OD1 3.32Å; Q317-N319 PolarHBondContact O-N 3.29Å; Q317-N320 WeakPolarHBondContact CA-OD1 3.36Å; Q317-N320 WeakPolarHBondContact CB-OD1 3.47Å; Q317-N320 PolarHBondContact N-OD1 3.47Å; Q317-N320 PolarHBondContact O-N 2.97Å; Q317-N320 PolarHBondContact O-OD1 3.27Å
318S87.6Confident96.2Very high94 Ų9418.6 Ų18.666%0.65710%0.1SC*.THydrogen-bonded Turntrans-66.5-21-178.266.80000114.2R55R55-S318 PolarHBondContact NH1-O 3.21Å; R55-S318 VanDerWaalsContact NH1-O 3.15Å
319N93.3Very high96.1Very high68 Ų6818.8 Ų18.836%0.36410%0.102SC..THydrogen-bonded Turntrans-89.7-10.9179.961.6-32.9000113.7Q317 A321 K322 V323Q317-N319 WeakPolarHBondContact CB-OD1 3.32Å; Q317-N319 PolarHBondContact O-N 3.29Å; N319-A321 VanDerWaalsContact C-N 3.26Å; N319-A321 PolarHBondContact O-N 2.93Å; N319-K322 WeakPolarHBondContact O-CB 3.26Å; N319-K322 PolarHBondContact O-N 2.89Å; N319-V323 PolarHBondContact O-N 2.83Å; N319-V323 VanDerWaalsContact O-N 3.13Å
320N95.3Very high96.1Very high0 Ų020.3 Ų20.30%011%0.11CC..Hα-helixtrans-55.6-41.5179-69.999.5000112.1K52 T270 G315 Y316 Q317 K322 V323 I324K52-N320 HydrophobicContact CD-CB 3.95Å; T270-N320 WeakPolarHBondContact CB-ND2 3.34Å; T270-N320 PolarHBondContact O-ND2 3.49Å; T270-N320 PolarHBondContact OG1-ND2 3.14Å; G315-N320 WeakPolarHBondContact CA-ND2 3.29Å; Y316-N320 PolarHBondContact N-OD1 3.17Å; Q317-N320 WeakPolarHBondContact CA-OD1 3.36Å; Q317-N320 WeakPolarHBondContact CB-OD1 3.47Å; Q317-N320 PolarHBondContact N-OD1 3.47Å; Q317-N320 PolarHBondContact O-N 2.97Å; Q317-N320 PolarHBondContact O-OD1 3.27Å; N320-K322 PolarHBondContact O-N 3.1Å; N320-V323 PolarHBondContact O-N 3.31Å; N320-V323 VanDerWaalsContact O-N 3.17Å; N320-I324 VanDerWaalsContact O-CG1 3.29Å; N320-I324 WeakPolarHBondContact O-CG1 3.22Å; N320-I324 PolarHBondContact O-N 3.21Å
321A96.7Very high96.1Very high1 Ų120.2 Ų20.21%0.00811%0.109CC..Hα-helixtrans-57.6-36.9178.300000112.9K52 R55 I56 N319 A325K52-A321 HydrophobicContact CG-CB 3.97Å; R55-A321 HydrophobicContact CB-CB 3.6Å; I56-A321 HydrophobicContact CG1-CB 4.02Å; I56-A321 WeakPolarHBondContact CG1-O 3.48Å; N319-A321 VanDerWaalsContact C-N 3.26Å; N319-A321 PolarHBondContact O-N 2.93Å; A321-A325 WeakPolarHBondContact O-CB 3.25Å; A321-A325 PolarHBondContact O-N 2.85Å; A321-A325 VanDerWaalsContact O-N 3.11Å
322K97.5Very high96Very high107 Ų10720.7 Ų20.747%0.46511%0.112SC..Hα-helixtrans-70.1-47.7176.4-176.5-172.7-178.8-600111N319 N320 I324 A325 D326N319-K322 WeakPolarHBondContact O-CB 3.26Å; N319-K322 PolarHBondContact O-N 2.89Å; N320-K322 PolarHBondContact O-N 3.1Å; K322-I324 VanDerWaalsContact C-N 3.33Å; K322-I324 PolarHBondContact O-N 3.12Å; K322-A325 PolarHBondContact O-N 2.86Å; K322-D326 IonicContact NZ-OD1 3.19Å; K322-D326 IonicContact NZ-OD2 2.78Å; K322-D326 PolarHBondContact NZ-OD2 3.41Å; K322-D326 WeakPolarHBondContact O-CB 3.3Å; K322-D326 PolarHBondContact O-N 3.22Å
323V98.3Very high96Very high5 Ų525.1 Ų25.13%0.0314%0.135CC..Hα-helixtrans-60.9-42.8179.81780000111.2L273 A285 I288 N319 N320 D326 S327L273-V323 HydrophobicContact CD1-CG2 4.38Å; L273-V323 HydrophobicContact CD2-CB 4.5Å; L273-V323 HydrophobicContact CD2-CG2 3.86Å; A285-V323 HydrophobicContact CB-CG1 4.19Å; A285-V323 HydrophobicContact CB-CG2 3.81Å; I288-V323 HydrophobicContact CB-CG1 3.85Å; I288-V323 HydrophobicContact CG1-CG1 4.12Å; I288-V323 HydrophobicContact CG2-CG1 3.82Å; N319-V323 PolarHBondContact O-N 2.83Å; N319-V323 VanDerWaalsContact O-N 3.13Å; N320-V323 PolarHBondContact O-N 3.31Å; N320-V323 VanDerWaalsContact O-N 3.17Å; V323-D326 PolarHBondContact O-N 3.03Å; V323-S327 WeakPolarHBondContact O-CB 3.36Å; V323-S327 PolarHBondContact O-N 3.12Å
324I98.3Very high96.1Very high1 Ų129.4 Ų29.41%0.00515%0.152CC..Hα-helixtrans-63.2-45.1175.7-64.9163.6000110.8K52 I56 T270 T312 N320 K322 D326 S327 L328K52-I324 HydrophobicContact CD-CD1 3.76Å; K52-I324 HydrophobicContact CG-CD1 4.34Å; I56-I324 HydrophobicContact CD1-CB 3.94Å; I56-I324 HydrophobicContact CD1-CD1 3.74Å; I56-I324 HydrophobicContact CD1-CG1 4.45Å; I56-I324 HydrophobicContact CD1-CG2 3.63Å; I56-I324 HydrophobicContact CG1-CB 4.02Å; I56-I324 HydrophobicContact CG1-CG2 3.97Å; I56-I324 HydrophobicContact CG2-CG2 4.04Å; T270-I324 HydrophobicContact CG2-CD1 4.01Å; T270-I324 HydrophobicContact CG2-CG1 3.49Å; T270-I324 VanDerWaalsContact CG2-CG1 3.49Å; T312-I324 HydrophobicContact CG2-CG2 4.09Å; N320-I324 VanDerWaalsContact O-CG1 3.29Å; N320-I324 WeakPolarHBondContact O-CG1 3.22Å; N320-I324 PolarHBondContact O-N 3.21Å; K322-I324 VanDerWaalsContact C-N 3.33Å; K322-I324 PolarHBondContact O-N 3.12Å; I324-D326 VanDerWaalsContact C-N 3.35Å; I324-D326 PolarHBondContact O-N 3.04Å; I324-S327 PolarHBondContact O-N 3.05Å; I324-L328 HydrophobicContact CG2-CD1 3.86Å; I324-L328 HydrophobicContact CG2-CG 4.33Å; I324-L328 VanDerWaalsContact O-CG 3.29Å; I324-L328 WeakPolarHBondContact O-CG 3.22Å; I324-L328 PolarHBondContact O-N 3.23Å
325A98.2Very high96.2Very high0 Ų032.4 Ų32.40%018%0.183CC..Hα-helixtrans-63.4-39.6177.400000112.4I56 Q59 L60 A321 K322 A329I56-A325 HydrophobicContact CG2-CB 4.4Å; Q59-A325 HydrophobicContact CB-CB 3.84Å; L60-A325 HydrophobicContact CD2-CB 4.38Å; L60-A325 WeakPolarHBondContact CD2-O 3.45Å; L60-A325 HydrophobicContact CG-CB 4.22Å; A321-A325 WeakPolarHBondContact O-CB 3.25Å; A321-A325 PolarHBondContact O-N 2.85Å; A321-A325 VanDerWaalsContact O-N 3.11Å; K322-A325 PolarHBondContact O-N 2.86Å; A325-A329 VanDerWaalsContact O-CB 3.31Å; A325-A329 WeakPolarHBondContact O-CB 3.42Å; A325-A329 PolarHBondContact O-N 2.93Å
326D98.5Very high96.3Very high31 Ų3133.5 Ų33.517%0.16619%0.187CC..Hα-helixtrans-64.9-39.6174.8-66.3-22.7000111.4K63 L289 K322 V323 I324 A329 N330K63-D326 IonicContact NZ-OD1 2.7Å; K63-D326 PolarHBondContact NZ-OD1 3.23Å; L289-D326 HydrophobicContact CD1-CB 4.09Å; K322-D326 IonicContact NZ-OD1 3.19Å; K322-D326 IonicContact NZ-OD2 2.78Å; K322-D326 PolarHBondContact NZ-OD2 3.41Å; K322-D326 WeakPolarHBondContact O-CB 3.3Å; K322-D326 PolarHBondContact O-N 3.22Å; V323-D326 PolarHBondContact O-N 3.03Å; I324-D326 VanDerWaalsContact C-N 3.35Å; I324-D326 PolarHBondContact O-N 3.04Å; D326-A329 PolarHBondContact O-N 3.19Å; D326-N330 PolarHBondContact O-N 3.28Å
327S98.6Very high96.5Very high0 Ų032.1 Ų32.10%018%0.182CC..Hα-helixtrans-64.3-47.6175.4-174.50000112.5D292 V323 I324 A329 N330 L331D292-S327 VanDerWaalsContact CB-OG 3.27Å; D292-S327 WeakPolarHBondContact CB-OG 3.2Å; D292-S327 WeakPolarHBondContact OD2-CB 3.4Å; D292-S327 PolarHBondContact OD2-OG 3.14Å; V323-S327 WeakPolarHBondContact O-CB 3.36Å; V323-S327 PolarHBondContact O-N 3.12Å; I324-S327 PolarHBondContact O-N 3.05Å; S327-A329 VanDerWaalsContact C-N 3.31Å; S327-A329 PolarHBondContact O-N 3.48Å; S327-N330 WeakPolarHBondContact O-CB 3.31Å; S327-N330 PolarHBondContact O-N 3.46Å; S327-N330 VanDerWaalsContact O-N 3.14Å; S327-L331 WeakPolarHBondContact O-CG 3.21Å; S327-L331 PolarHBondContact O-N 3.38Å
328L98.4Very high96.5Very high0 Ų032.3 Ų32.30%019%0.186CC..Hα-helixtrans-62.7-38.5176.9-68.4172000111.9F29 I56 L60 V146 M310 I324 L331 I332 L337F29-L328 HydrophobicContact CE1-CB 4.4Å; F29-L328 HydrophobicContact CE1-CD1 4.21Å; F29-L328 HydrophobicContact CE1-CD2 4.14Å; F29-L328 HydrophobicContact CE1-CG 4.48Å; I56-L328 HydrophobicContact CG2-CD1 3.91Å; L60-L328 HydrophobicContact CD1-CB 4.19Å; L60-L328 HydrophobicContact CD1-CD1 3.82Å; L60-L328 HydrophobicContact CD2-CB 4.12Å; V146-L328 HydrophobicContact CB-CD2 4.47Å; V146-L328 HydrophobicContact CG1-CD1 4.43Å; V146-L328 HydrophobicContact CG1-CD2 3.9Å; V146-L328 HydrophobicContact CG2-CD2 3.86Å; M310-L328 HydrophobicContact CE-CD2 4.14Å; M310-L328 HydrophobicContact SD-CD2 3.72Å; I324-L328 HydrophobicContact CG2-CD1 3.86Å; I324-L328 HydrophobicContact CG2-CG 4.33Å; I324-L328 VanDerWaalsContact O-CG 3.29Å; I324-L328 WeakPolarHBondContact O-CG 3.22Å; I324-L328 PolarHBondContact O-N 3.23Å; L328-L331 HydrophobicContact CD2-CD1 4.43Å; L328-L331 PolarHBondContact O-N 2.92Å; L328-I332 WeakPolarHBondContact O-CG1 3.48Å; L328-I332 PolarHBondContact O-N 3.26Å; L328-L337 HydrophobicContact CD2-CD1 4.07Å
329A98.1Very high96.5Very high4 Ų434.6 Ų34.63%0.03318%0.18CC..Hα-helixtrans-60.7-46.1171.800000111.9L60 Y65 A325 D326 S327 L331 I332 D333L60-A329 HydrophobicContact CD2-CB 4.46Å; Y65-A329 HydrophobicContact CD1-CB 4.04Å; Y65-A329 HydrophobicContact CD2-CB 3.87Å; Y65-A329 HydrophobicContact CE1-CB 3.73Å; Y65-A329 HydrophobicContact CE2-CB 3.57Å; Y65-A329 HydrophobicContact CG-CB 4.1Å; Y65-A329 VanDerWaalsContact CZ-CB 3.49Å; A325-A329 VanDerWaalsContact O-CB 3.31Å; A325-A329 WeakPolarHBondContact O-CB 3.42Å; A325-A329 PolarHBondContact O-N 2.93Å; D326-A329 PolarHBondContact O-N 3.19Å; S327-A329 VanDerWaalsContact C-N 3.31Å; S327-A329 PolarHBondContact O-N 3.48Å; A329-L331 VanDerWaalsContact C-N 3.34Å; A329-L331 PolarHBondContact O-N 3.18Å; A329-I332 PolarHBondContact O-N 2.93Å; A329-D333 PolarHBondContact O-N 3.16Å
330N98.5Very high95.9Very high31 Ų3134 Ų3417%0.16618%0.181CC..Hα-helixtrans-58.2-45.2175-178.862.5000111.6L289 E293 D326 S327 I332 D333 K334L289-N330 HydrophobicContact CD2-CB 4.28Å; L289-N330 HydrophobicContact CG-CB 4.34Å; E293-N330 PolarHBondContact OE2-ND2 3.12Å; D326-N330 PolarHBondContact O-N 3.28Å; S327-N330 WeakPolarHBondContact O-CB 3.31Å; S327-N330 PolarHBondContact O-N 3.46Å; S327-N330 VanDerWaalsContact O-N 3.14Å; N330-I332 VanDerWaalsContact C-N 3.29Å; N330-I332 PolarHBondContact O-N 3.32Å; N330-D333 PolarHBondContact O-N 3.41Å; N330-K334 WeakPolarHBondContact O-CB 3.47Å; N330-K334 WeakPolarHBondContact O-CG 3.25Å; N330-K334 PolarHBondContact O-N 2.9Å
331L98.5Very high95.9Very high0 Ų035.7 Ų35.70%019%0.19CC..Hα-helixtrans-63-33.6177.9-68.5174.7000113.1D292 F296 M310 S327 L328 A329 G335 Y336 L337D292-L331 HydrophobicContact CB-CD1 4.34Å; F296-L331 HydrophobicContact CB-CD2 3.85Å; F296-L331 HydrophobicContact CD2-CD1 3.65Å; F296-L331 HydrophobicContact CD2-CD2 3.64Å; F296-L331 HydrophobicContact CD2-CG 4.3Å; F296-L331 HydrophobicContact CE2-CD1 3.44Å; F296-L331 VanDerWaalsContact CE2-CD1 3.44Å; F296-L331 HydrophobicContact CE2-CD2 4.31Å; F296-L331 HydrophobicContact CE2-CG 4.49Å; F296-L331 HydrophobicContact CG-CD1 4.36Å; F296-L331 HydrophobicContact CG-CD2 3.76Å; F296-L331 HydrophobicContact CZ-CD1 3.97Å; M310-L331 HydrophobicContact SD-CD1 4.19Å; S327-L331 WeakPolarHBondContact O-CG 3.21Å; S327-L331 PolarHBondContact O-N 3.38Å; L328-L331 HydrophobicContact CD2-CD1 4.43Å; L328-L331 PolarHBondContact O-N 2.92Å; A329-L331 VanDerWaalsContact C-N 3.34Å; A329-L331 PolarHBondContact O-N 3.18Å; L331-G335 PolarHBondContact O-N 3.01Å; L331-Y336 HydrophobicContact CD2-CD2 3.9Å; L331-Y336 WeakPolarHBondContact O-CB 3.35Å; L331-Y336 PolarHBondContact O-N 3.42Å; L331-L337 HydrophobicContact CB-CD1 3.77Å; L331-L337 HydrophobicContact CB-CG 4.18Å; L331-L337 HydrophobicContact CD1-CD1 4.05Å; L331-L337 PolarHBondContact O-N 3.28Å
332I97.2Very high95.9Very high10 Ų1037.5 Ų37.55%0.05120%0.199CC..Hα-helixtrans-68.9-48.2172.5-67.6164.7000110.7F29 Y65 L328 A329 N330 K334 G335 L337 R339F29-I332 HydrophobicContact CE2-CD1 4.06Å; F29-I332 HydrophobicContact CE2-CG1 4.42Å; F29-I332 HydrophobicContact CZ-CD1 3.8Å; F29-I332 HydrophobicContact CZ-CG1 4.2Å; Y65-I332 HydrophobicContact CD1-CB 3.97Å; Y65-I332 HydrophobicContact CD1-CD1 3.84Å; Y65-I332 HydrophobicContact CD1-CG2 3.88Å; Y65-I332 HydrophobicContact CE1-CB 4.37Å; Y65-I332 HydrophobicContact CE1-CG2 4.36Å; Y65-I332 HydrophobicContact CG-CD1 4.26Å; L328-I332 WeakPolarHBondContact O-CG1 3.48Å; L328-I332 PolarHBondContact O-N 3.26Å; A329-I332 PolarHBondContact O-N 2.93Å; N330-I332 VanDerWaalsContact C-N 3.29Å; N330-I332 PolarHBondContact O-N 3.32Å; I332-K334 PolarHBondContact O-N 3.01Å; I332-G335 WeakPolarHBondContact O-CA 3.27Å; I332-G335 PolarHBondContact O-N 2.83Å; I332-L337 HydrophobicContact CG1-CB 3.84Å; I332-R339 HydrophobicContact CG2-CB 3.64Å; I332-R339 HydrophobicContact CG2-CG 3.96Å
333D97.7Very high95.8Very high93 Ų9333.6 Ų33.650%0.49719%0.185SC..Hα-helixtrans-63.4-30.5-178.9-73.1-30.1000112.4Y65 A329 N330 G335 R339Y65-D333 WeakPolarHBondContact CE1-OD1 3.28Å; Y65-D333 WeakPolarHBondContact CE1-OD2 3.2Å; Y65-D333 PolarHBondContact OH-OD2 3.1Å; A329-D333 PolarHBondContact O-N 3.16Å; N330-D333 PolarHBondContact O-N 3.41Å; D333-G335 VanDerWaalsContact C-N 3.27Å; D333-G335 PolarHBondContact O-N 2.94Å; D333-R339 IonicContact OD1-NH1 3.08Å
334K97.3Very high95.6Very high104 Ų10435.3 Ų35.345%0.45219%0.194SC..THydrogen-bonded Turntrans-79.1-5.8173.3-63.8-71.8176.2129.80113.9E293 N330 I332 Y336E293-K334 IonicContact OE1-NZ 2.73Å; E293-K334 PolarHBondContact OE1-NZ 3.43Å; E293-K334 IonicContact OE2-NZ 3.2Å; E293-K334 PolarHBondContact OE2-NZ 3.4Å; N330-K334 WeakPolarHBondContact O-CB 3.47Å; N330-K334 WeakPolarHBondContact O-CG 3.25Å; N330-K334 PolarHBondContact O-N 2.9Å; I332-K334 PolarHBondContact O-N 3.01Å; K334-Y336 VanDerWaalsContact C-N 3.33Å; K334-Y336 HydrophobicContact CB-CD2 3.53Å; K334-Y336 HydrophobicContact CB-CE2 3.58Å; K334-Y336 HydrophobicContact CB-CG 4.46Å; K334-Y336 HydrophobicContact CG-CD2 4.48Å; K334-Y336 HydrophobicContact CG-CE2 4.29Å
335G95.7Very high95.5Very high63 Ų6337.4 Ų37.465%0.64921%0.206SC*.THydrogen-bonded Turntrans77.113.7179.600000114.8L331 I332 D333L331-G335 PolarHBondContact O-N 3.01Å; I332-G335 WeakPolarHBondContact O-CA 3.27Å; I332-G335 PolarHBondContact O-N 2.83Å; D333-G335 VanDerWaalsContact C-N 3.27Å; D333-G335 PolarHBondContact O-N 2.94Å
336Y96.5Very high95.3Very high24 Ų2439.9 Ų39.99%0.09422%0.219CC..SBendtrans-79.3-28.4176-65-55.1000112.8E293 F296 Q297 R300 H301 L331 K334E293-Y336 HydrophobicContact CG-CE2 4.04Å; F296-Y336 HydrophobicContact CB-CD1 4.16Å; F296-Y336 HydrophobicContact CB-CD2 3.98Å; F296-Y336 HydrophobicContact CB-CG 3.79Å; F296-Y336 HydrophobicContact CD1-CG 4.41Å; F296-Y336 HydrophobicContact CG-CG 4.46Å; Q297-Y336 HydrophobicContact CB-CE1 4.46Å; Q297-Y336 VanDerWaalsContact CB-OH 3.31Å; Q297-Y336 WeakPolarHBondContact CB-OH 3.41Å; Q297-Y336 WeakPolarHBondContact CG-OH 3.49Å; R300-Y336 HydrophobicContact CB-CD1 3.94Å; R300-Y336 HydrophobicContact CB-CE1 4.27Å; R300-Y336 HydrophobicContact CG-CD1 4.09Å; H301-Y336 AromaticContact CE1-CE1 3.98Å; H301-Y336 PolarHBondContact CE1-OH 3.01Å; H301-Y336 AromaticContact NE2-CE1 3.61Å; L331-Y336 HydrophobicContact CD2-CD2 3.9Å; L331-Y336 WeakPolarHBondContact O-CB 3.35Å; L331-Y336 PolarHBondContact O-N 3.42Å; K334-Y336 VanDerWaalsContact C-N 3.33Å; K334-Y336 HydrophobicContact CB-CD2 3.53Å; K334-Y336 HydrophobicContact CB-CE2 3.58Å; K334-Y336 HydrophobicContact CB-CG 4.46Å; K334-Y336 HydrophobicContact CG-CD2 4.48Å; K334-Y336 HydrophobicContact CG-CE2 4.29Å
337L95.6Very high95.1Very high3 Ų340.6 Ų40.62%0.01622%0.223CC..SBendtrans-118.6140.5171.5-68.1171000109.2A28 F29 A144 V146 F296 L328 L331 I332 R339A28-L337 HydrophobicContact CB-CD2 4.37Å; F29-L337 HydrophobicContact CE1-CD1 4.42Å; F29-L337 HydrophobicContact CE2-CB 4.47Å; F29-L337 HydrophobicContact CZ-CB 4.44Å; F29-L337 HydrophobicContact CZ-CD1 3.79Å; A144-L337 HydrophobicContact CB-CD2 3.75Å; V146-L337 HydrophobicContact CG2-CD1 3.63Å; V146-L337 HydrophobicContact CG2-CD2 3.84Å; V146-L337 HydrophobicContact CG2-CG 4.43Å; F296-L337 HydrophobicContact CE1-CD2 3.91Å; F296-L337 HydrophobicContact CE1-CG 4.12Å; F296-L337 HydrophobicContact CZ-CD1 4.48Å; F296-L337 HydrophobicContact CZ-CD2 4.21Å; F296-L337 HydrophobicContact CZ-CG 4.39Å; L328-L337 HydrophobicContact CD2-CD1 4.07Å; L331-L337 HydrophobicContact CB-CD1 3.77Å; L331-L337 HydrophobicContact CB-CG 4.18Å; L331-L337 HydrophobicContact CD1-CD1 4.05Å; L331-L337 PolarHBondContact O-N 3.28Å; I332-L337 HydrophobicContact CG1-CB 3.84Å; L337-R339 PolarHBondContact O-N 3.06Å
338P90.5Very high94.8Very high40 Ų4043.7 Ų43.726%0.2624%0.24SC..  trans-65.9133.3176.128.1-33.8000110.2C26 A28 I142C26-P338 HydrophobicContact CB-CB 4.06Å; C26-P338 HydrophobicContact CB-CG 4.35Å; C26-P338 VanDerWaalsContact O-CG 3.31Å; C26-P338 WeakPolarHBondContact O-CG 3.43Å; A28-P338 HydrophobicContact CB-CG 3.45Å; A28-P338 VanDerWaalsContact CB-CG 3.45Å; I142-P338 HydrophobicContact CD1-CG 4.46Å
339R87.2Confident94.5Very high141 Ų14147.3 Ų47.353%0.53226%0.26SS..  trans-67.6135.1164.5-166.3171.5-170.4132.23.6108.7G64 I332 D333 L337G64-R339 PolarHBondContact O-NH2 2.93Å; I332-R339 HydrophobicContact CG2-CB 3.64Å; I332-R339 HydrophobicContact CG2-CG 3.96Å; D333-R339 IonicContact OD1-NH1 3.08Å; L337-R339 PolarHBondContact O-N 3.06Å
340C81Confident94.1Very high55 Ų5551.3 Ų51.337%0.37228%0.281SS..  trans-980-175.2-76.70000112.7L66 C70L66-C340 HydrophobicContact CD2-CB 4.08Å; C70-C340 HydrophobicContact CB-CB 3.41Å; C70-C340 VanDerWaalsContact CB-CB 3.41Å; C70-C340 PolarHBondContact SG-OXT 2.66Å

Retrieved 340 of 340 residues in 171 ms (Link to these results)

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