A0A087X314_POEFO Loading...

DnaJ heat shock protein family (Hsp40) member B4

AlphaFold DB , UniProt , Accession A0A087X314, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 337 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
1M50.9Low80.4Confident237 Ų23768.5 Ų68.5100%1.16738%0.376SS*.  0110.90-8817917700106.6
2G63.1Low81Confident40 Ų4070.3 Ų70.341%0.41240%0.397SS..  trans-62.8154176.800000111.9E69G2-E69 WeakPolarHBondContact CA-OE2 3.39Å
3R74.9Confident81Confident92 Ų9275.7 Ų75.735%0.34741%0.413SS..  trans-65.1136.6175.7-68.6173.9168.3-177.2-10.3110Y5 E47 E50 Y64 E69R3-Y5 HydrophobicContact CB-CD1 4.49Å; R3-Y5 HydrophobicContact CB-CE1 4.26Å; R3-Y5 PolarHBondContact O-N 3.24Å; R3-E47 IonicContact CZ-OE1 2.92Å; R3-E47 IonicContact NE-OE1 3.52Å; R3-E47 IonicContact NH2-OE1 2.91Å; R3-E47 PolarHBondContact NH2-OE1 2.91Å; R3-E47 VanDerWaalsContact NH2-OE1 3.1Å; R3-E50 IonicContact NH1-OE2 3.82Å; R3-E50 PolarHBondContact NH1-OE2 3.38Å; R3-Y64 PolarHBondContact O-OH 3.17Å; R3-E69 PolarHBondContact N-OE2 2.87Å
4D86.1Confident81Confident77 Ų7774.6 Ų74.641%0.41243%0.429SS..  trans-90.696.6172.6-175.2-17.7000109.5Y6 K7 T8 Y64D4-Y6 VanDerWaalsContact C-N 3.27Å; D4-Y6 PolarHBondContact O-N 3.23Å; D4-Y6 WeakPolarHBondContact OD1-CB 3.34Å; D4-Y6 PolarHBondContact OD1-N 3.16Å; D4-Y6 VanDerWaalsContact OD1-N 3.1Å; D4-K7 HydrophobicContact CB-CB 3.82Å; D4-K7 VanDerWaalsContact CG-CB 3.48Å; D4-K7 PolarHBondContact O-N 2.92Å; D4-K7 PolarHBondContact OD1-N 3.38Å; D4-T8 PolarHBondContact O-N 3.32Å; D4-T8 PolarHBondContact O-OG1 3.35Å; D4-Y64 VanDerWaalsContact CA-OH 3.28Å; D4-Y64 WeakPolarHBondContact CA-OH 3.38Å
5Y87.2Confident81.2Confident3 Ų370.2 Ų70.21%0.01241%0.405CS..Hα-helixtrans-65.2-29.7-177.9-66.8-42.4000112.4R3 T8 L9 E50 A51 V54 Y64 L72R3-Y5 HydrophobicContact CB-CD1 4.49Å; R3-Y5 HydrophobicContact CB-CE1 4.26Å; R3-Y5 PolarHBondContact O-N 3.24Å; Y5-T8 PolarHBondContact O-N 3.12Å; Y5-L9 PolarHBondContact O-N 3.3Å; Y5-L9 VanDerWaalsContact O-N 3.1Å; Y5-E50 HydrophobicContact CE1-CB 4.47Å; Y5-E50 HydrophobicContact CE1-CG 3.94Å; Y5-E50 PolarHBondContact OH-OE1 2.81Å; Y5-A51 HydrophobicContact CD1-CB 3.63Å; Y5-A51 HydrophobicContact CG-CB 3.96Å; Y5-V54 HydrophobicContact CD2-CB 4.05Å; Y5-V54 HydrophobicContact CD2-CG1 3.84Å; Y5-V54 HydrophobicContact CD2-CG2 4.37Å; Y5-V54 HydrophobicContact CE2-CB 3.98Å; Y5-V54 HydrophobicContact CE2-CG1 3.86Å; Y5-V54 HydrophobicContact CE2-CG2 3.8Å; Y5-Y64 HydrophobicContact CD2-CD1 4.15Å; Y5-Y64 AromaticContact CD2-CD2 3.51Å; Y5-Y64 HydrophobicContact CD2-CD2 3.51Å; Y5-Y64 AromaticContact CD2-CE1 3.83Å; Y5-Y64 HydrophobicContact CD2-CE1 3.83Å; Y5-Y64 AromaticContact CD2-CE2 3.14Å; Y5-Y64 HydrophobicContact CD2-CE2 3.14Å; Y5-Y64 HydrophobicContact CD2-CG 4Å; Y5-Y64 AromaticContact CD2-CZ 3.32Å; Y5-Y64 AromaticContact CE2-CD2 3.62Å; Y5-Y64 HydrophobicContact CE2-CD2 3.62Å; Y5-Y64 AromaticContact CE2-CE2 3.42Å; Y5-Y64 HydrophobicContact CE2-CE2 3.42Å; Y5-Y64 VanDerWaalsContact CE2-CE2 3.42Å; Y5-Y64 HydrophobicContact CE2-CG 4.42Å; Y5-Y64 HydrophobicContact CG-CE1 4.36Å; Y5-Y64 HydrophobicContact CG-CE2 4.05Å; Y5-Y64 AromaticContact CG-CZ 3.85Å; Y5-Y64 PolarHBondContact N-OH 2.92Å; Y5-L72 HydrophobicContact CE2-CD1 3.94Å
6Y87.6Confident81.5Confident6 Ų670.4 Ų70.42%0.02441%0.407CS..Hα-helixtrans-66.6-44.9173.9-67.4-80.4000110.2D4 T8 L9 G10 I11 S12 K13 L55 R61 Y64 D65D4-Y6 VanDerWaalsContact C-N 3.27Å; D4-Y6 PolarHBondContact O-N 3.23Å; D4-Y6 WeakPolarHBondContact OD1-CB 3.34Å; D4-Y6 PolarHBondContact OD1-N 3.16Å; D4-Y6 VanDerWaalsContact OD1-N 3.1Å; Y6-T8 PolarHBondContact O-N 2.83Å; Y6-L9 PolarHBondContact O-N 3.13Å; Y6-G10 PolarHBondContact O-N 3.37Å; Y6-I11 CarbonylContact C-O 3.56Å; Y6-I11 WeakPolarHBondContact CB-O 3.34Å; Y6-I11 HydrophobicContact CD1-CD1 4.09Å; Y6-I11 HydrophobicContact CD1-CG1 4.08Å; Y6-I11 WeakPolarHBondContact O-CG1 3.29Å; Y6-I11 PolarHBondContact O-N 3.46Å; Y6-I11 VanDerWaalsContact O-O 3.11Å; Y6-S12 WeakPolarHBondContact CD1-O 3.5Å; Y6-K13 HydrophobicContact CD2-CB 4.25Å; Y6-K13 HydrophobicContact CD2-CG 4.22Å; Y6-K13 HydrophobicContact CE2-CB 4.35Å; Y6-K13 HydrophobicContact CE2-CD 4.49Å; Y6-K13 HydrophobicContact CE2-CG 3.86Å; Y6-K13 HydrophobicContact CG-CB 4.42Å; Y6-L55 HydrophobicContact CD1-CD1 4.13Å; Y6-L55 HydrophobicContact CD2-CD2 4.48Å; Y6-L55 HydrophobicContact CE1-CD1 4.24Å; Y6-L55 HydrophobicContact CE1-CD2 4.01Å; Y6-L55 HydrophobicContact CE2-CD2 3.89Å; Y6-L55 HydrophobicContact CG-CD1 4.37Å; Y6-R61 PolarHBondContact OH-NE 3.44Å; Y6-R61 VanDerWaalsContact OH-NE 3.16Å; Y6-Y64 AromaticContact CD2-CE1 3.94Å; Y6-Y64 HydrophobicContact CD2-CE1 3.94Å; Y6-Y64 HydrophobicContact CE2-CD1 4.08Å; Y6-Y64 AromaticContact CE2-CE1 3.79Å; Y6-Y64 HydrophobicContact CE2-CE1 3.79Å; Y6-D65 WeakPolarHBondContact CE2-OD1 3.37Å; Y6-D65 VanDerWaalsContact OH-CG 3.23Å; Y6-D65 PolarHBondContact OH-OD1 3.48Å; Y6-D65 PolarHBondContact OH-OD2 3.02Å
7K87.7Confident81.4Confident163 Ų16370.6 Ų70.671%0.70940%0.404SS*.Hα-helixtrans-65.9-35.9175.4-168.6176.1-177.9178.30112.9D4 G10D4-K7 HydrophobicContact CB-CB 3.82Å; D4-K7 VanDerWaalsContact CG-CB 3.48Å; D4-K7 PolarHBondContact O-N 2.92Å; D4-K7 PolarHBondContact OD1-N 3.38Å; K7-G10 PolarHBondContact O-N 2.95Å; K7-G10 VanDerWaalsContact O-N 3.13Å
8T86.6Confident81.2Confident32 Ų3272.2 Ų72.220%0.19641%0.407CS..Hα-helixtrans-62.4-41.5175.4-60.80000112D4 Y5 Y6 G10 Q27 E47 I48 A51D4-T8 PolarHBondContact O-N 3.32Å; D4-T8 PolarHBondContact O-OG1 3.35Å; Y5-T8 PolarHBondContact O-N 3.12Å; Y6-T8 PolarHBondContact O-N 2.83Å; T8-G10 VanDerWaalsContact C-N 3.31Å; T8-Q27 PolarHBondContact O-NE2 3.26Å; T8-Q27 VanDerWaalsContact O-NE2 3.09Å; T8-E47 HydrophobicContact CG2-CB 3.97Å; T8-I48 HydrophobicContact CG2-CG1 4.15Å; T8-A51 HydrophobicContact CG2-CB 4.19Å
9L86.1Confident81.3Confident5 Ų572.1 Ų72.13%0.02641%0.406CS..Hα-helixtrans-78.2-16.1174-66.8-175.7000113.1Y5 Y6 I11 I20 A23 Y24 I48 A51 L55Y5-L9 PolarHBondContact O-N 3.3Å; Y5-L9 VanDerWaalsContact O-N 3.1Å; Y6-L9 PolarHBondContact O-N 3.13Å; L9-I11 HydrophobicContact CB-CD1 4.07Å; L9-I11 HydrophobicContact CB-CG1 3.94Å; L9-I11 HydrophobicContact CD1-CD1 4.17Å; L9-I20 HydrophobicContact CD1-CG2 4.02Å; L9-A23 HydrophobicContact CB-CB 4.07Å; L9-Y24 HydrophobicContact CD2-CD2 4.44Å; L9-I48 HydrophobicContact CD2-CG2 4.02Å; L9-A51 HydrophobicContact CD1-CB 4.28Å; L9-A51 HydrophobicContact CD2-CB 4.1Å; L9-A51 HydrophobicContact CG-CB 3.85Å; L9-L55 HydrophobicContact CD1-CD1 3.83Å
10G85.5Confident81.6Confident63 Ų6368.5 Ų68.565%0.64939%0.385SS*.THydrogen-bonded Turntrans79.232.718000000113.3Y6 K7 T8Y6-G10 PolarHBondContact O-N 3.37Å; K7-G10 PolarHBondContact O-N 2.95Å; K7-G10 VanDerWaalsContact O-N 3.13Å; T8-G10 VanDerWaalsContact C-N 3.31Å
11I89.1Confident81.7Confident36 Ų3667.9 Ų67.919%0.18538%0.379CS..  trans-123.9164.4-178.955.9176.5000110.6Y6 L9 A15 I20 A23Y6-I11 CarbonylContact C-O 3.56Å; Y6-I11 WeakPolarHBondContact CB-O 3.34Å; Y6-I11 HydrophobicContact CD1-CD1 4.09Å; Y6-I11 HydrophobicContact CD1-CG1 4.08Å; Y6-I11 WeakPolarHBondContact O-CG1 3.29Å; Y6-I11 PolarHBondContact O-N 3.46Å; Y6-I11 VanDerWaalsContact O-O 3.11Å; L9-I11 HydrophobicContact CB-CD1 4.07Å; L9-I11 HydrophobicContact CB-CG1 3.94Å; L9-I11 HydrophobicContact CD1-CD1 4.17Å; I11-A15 HydrophobicContact CB-CB 4.15Å; I11-A15 HydrophobicContact CD1-CB 3.89Å; I11-A15 HydrophobicContact CG1-CB 4.37Å; I11-I20 HydrophobicContact CD1-CB 4.33Å; I11-I20 HydrophobicContact CD1-CG1 3.52Å; I11-A23 HydrophobicContact CG2-CB 3.49Å; I11-A23 VanDerWaalsContact CG2-CB 3.49Å
12S87.3Confident83.3Confident89 Ų8960.8 Ų60.862%0.62234%0.341SS*.  trans-86.5153.2176.652.80000112.3Y6 G14 A15Y6-S12 WeakPolarHBondContact CD1-O 3.5Å; S12-G14 PolarHBondContact O-N 3.19Å; S12-A15 WeakPolarHBondContact O-CB 3.27Å; S12-A15 PolarHBondContact O-N 2.87Å; S12-A15 VanDerWaalsContact O-N 3.11Å
13K81Confident84.4Confident141 Ų14159.4 Ų59.461%0.61333%0.326SS*.THydrogen-bonded Turntrans-63.2118.2169.8-168173-173.9177.60108.3Y6 D65Y6-K13 HydrophobicContact CD2-CB 4.25Å; Y6-K13 HydrophobicContact CD2-CG 4.22Å; Y6-K13 HydrophobicContact CE2-CB 4.35Å; Y6-K13 HydrophobicContact CE2-CD 4.49Å; Y6-K13 HydrophobicContact CE2-CG 3.86Å; Y6-K13 HydrophobicContact CG-CB 4.42Å; K13-D65 WeakPolarHBondContact CE-OD1 3.12Å; K13-D65 PolarHBondContact NZ-O 3.34Å
14G80.7Confident85Confident61 Ų6155 Ų5563%0.62931%0.309SS*.THydrogen-bonded Turntrans111.4-1.2-171.400000115S12S12-G14 PolarHBondContact O-N 3.19Å
15A83.4Confident84.9Confident8 Ų854.9 Ų54.97%0.06630%0.303CS..  trans-55144.8172.400000112.6I11 S12 D19 I20 R61I11-A15 HydrophobicContact CB-CB 4.15Å; I11-A15 HydrophobicContact CD1-CB 3.89Å; I11-A15 HydrophobicContact CG1-CB 4.37Å; S12-A15 WeakPolarHBondContact O-CB 3.27Å; S12-A15 PolarHBondContact O-N 2.87Å; S12-A15 VanDerWaalsContact O-N 3.11Å; A15-D19 HydrophobicContact CB-CB 3.92Å; A15-I20 HydrophobicContact CB-CG1 4.41Å; A15-R61 VanDerWaalsContact O-CZ 3.3Å; A15-R61 PolarHBondContact O-NH1 3.28Å; A15-R61 PolarHBondContact O-NH2 2.96Å
16T86Confident84.8Confident73 Ų7359 Ų5945%0.44832%0.321SS..  trans-71.1164.7177.1670000111E18 D19 I20T16-E18 PolarHBondContact O-N 3.14Å; T16-D19 WeakPolarHBondContact CB-OD2 3.02Å; T16-D19 PolarHBondContact N-OD2 2.81Å; T16-D19 WeakPolarHBondContact O-CB 3.35Å; T16-D19 PolarHBondContact O-N 3.48Å; T16-D19 VanDerWaalsContact O-N 3.15Å; T16-D19 PolarHBondContact OG1-N 2.87Å; T16-D19 PolarHBondContact OG1-OD2 2.95Å; T16-I20 WeakPolarHBondContact O-CG1 3.27Å; T16-I20 PolarHBondContact O-N 2.88Å
17E80.2Confident84.7Confident74 Ų7460.5 Ų60.535%0.34633%0.328SS..Hα-helixtrans-59.2-33.8175.1-163.5-169.2146.300111.8I20 K21E17-I20 PolarHBondContact O-N 3.32Å; E17-K21 WeakPolarHBondContact O-CG 3.4Å; E17-K21 PolarHBondContact O-N 3.47Å; E17-K21 WeakPolarHBondContact OE1-CE 3.37Å; E17-K21 IonicContact OE1-NZ 3.86Å; E17-K21 PolarHBondContact OE1-NZ 2.86Å
18E78.9Confident84.6Confident100 Ų10052.8 Ų52.847%0.46729%0.294SS..Hα-helixtrans-66-42.3175.3-62-169.4163.400112T16 I20 K21 K22T16-E18 PolarHBondContact O-N 3.14Å; E18-I20 VanDerWaalsContact C-N 3.31Å; E18-I20 PolarHBondContact O-N 2.99Å; E18-K21 PolarHBondContact O-N 2.77Å; E18-K22 VanDerWaalsContact O-CB 3.31Å; E18-K22 WeakPolarHBondContact O-CB 3.27Å; E18-K22 PolarHBondContact O-N 2.89Å
19D82.9Confident84.5Confident70 Ų7051.6 Ų51.637%0.37429%0.287SS..Hα-helixtrans-62.9-39.8176.4-65.2-44.2000111.5A15 T16 K22 A23A15-D19 HydrophobicContact CB-CB 3.92Å; T16-D19 WeakPolarHBondContact CB-OD2 3.02Å; T16-D19 PolarHBondContact N-OD2 2.81Å; T16-D19 WeakPolarHBondContact O-CB 3.35Å; T16-D19 PolarHBondContact O-N 3.48Å; T16-D19 VanDerWaalsContact O-N 3.15Å; T16-D19 PolarHBondContact OG1-N 2.87Å; T16-D19 PolarHBondContact OG1-OD2 2.95Å; D19-K22 PolarHBondContact O-N 3.22Å; D19-A23 WeakPolarHBondContact O-CB 3.33Å; D19-A23 PolarHBondContact O-N 2.88Å
20I86.1Confident84.5Confident0 Ų056.7 Ų56.70%031%0.309CS..Hα-helixtrans-63.1-46.6175.8-68.3160.2000110.6L9 I11 A15 T16 E17 E18 K22 A23 Y24 Y52 L55L9-I20 HydrophobicContact CD1-CG2 4.02Å; I11-I20 HydrophobicContact CD1-CB 4.33Å; I11-I20 HydrophobicContact CD1-CG1 3.52Å; A15-I20 HydrophobicContact CB-CG1 4.41Å; T16-I20 WeakPolarHBondContact O-CG1 3.27Å; T16-I20 PolarHBondContact O-N 2.88Å; E17-I20 PolarHBondContact O-N 3.32Å; E18-I20 VanDerWaalsContact C-N 3.31Å; E18-I20 PolarHBondContact O-N 2.99Å; I20-K22 PolarHBondContact O-N 3.12Å; I20-A23 PolarHBondContact O-N 2.9Å; I20-Y24 WeakPolarHBondContact O-CB 3.46Å; I20-Y24 PolarHBondContact O-N 2.86Å; I20-Y52 HydrophobicContact CG2-CD2 3.95Å; I20-Y52 HydrophobicContact CG2-CE2 4.29Å; I20-L55 HydrophobicContact CD1-CB 4.11Å; I20-L55 HydrophobicContact CG1-CB 4.47Å; I20-L55 HydrophobicContact CG2-CB 3.88Å
21K85.1Confident84.4Confident56 Ų5655.7 Ų55.724%0.24329%0.285CS..Hα-helixtrans-62.3-42.6176-73.3174.7-176.8166.80112E17 E18 R25 Y52 F102 L141E17-K21 WeakPolarHBondContact O-CG 3.4Å; E17-K21 PolarHBondContact O-N 3.47Å; E17-K21 WeakPolarHBondContact OE1-CE 3.37Å; E17-K21 IonicContact OE1-NZ 3.86Å; E17-K21 PolarHBondContact OE1-NZ 2.86Å; E18-K21 PolarHBondContact O-N 2.77Å; K21-R25 WeakPolarHBondContact O-CB 3.36Å; K21-R25 PolarHBondContact O-N 3.46Å; K21-Y52 HydrophobicContact CB-CE2 4.45Å; K21-Y52 HydrophobicContact CG-CE2 3.82Å; K21-F102 HydrophobicContact CB-CE2 4.26Å; K21-F102 HydrophobicContact CB-CZ 4.42Å; K21-F102 HydrophobicContact CG-CE2 4.24Å; K21-F102 WeakPolarHBondContact O-CZ 3.18Å; K21-L141 HydrophobicContact CD-CD2 4.07Å
22K84Confident84.2Confident88 Ų8854.5 Ų54.538%0.38328%0.279SS..Hα-helixtrans-65.1-43.7178.8-172.6178.3178.4-175.50111.3E18 D19 I20 R25 K26E18-K22 VanDerWaalsContact O-CB 3.31Å; E18-K22 WeakPolarHBondContact O-CB 3.27Å; E18-K22 PolarHBondContact O-N 2.89Å; D19-K22 PolarHBondContact O-N 3.22Å; I20-K22 PolarHBondContact O-N 3.12Å; K22-R25 PolarHBondContact O-N 3.02Å; K22-K26 PolarHBondContact O-N 3.11Å; K22-K26 VanDerWaalsContact O-N 3.14Å
23A85.8Confident83.9Confident11 Ų1152.1 Ų52.19%0.09126%0.261CS..Hα-helixtrans-65.3-46.617800000112L9 I11 D19 I20 R25 K26 Q27L9-A23 HydrophobicContact CB-CB 4.07Å; I11-A23 HydrophobicContact CG2-CB 3.49Å; I11-A23 VanDerWaalsContact CG2-CB 3.49Å; D19-A23 WeakPolarHBondContact O-CB 3.33Å; D19-A23 PolarHBondContact O-N 2.88Å; I20-A23 PolarHBondContact O-N 2.9Å; A23-R25 PolarHBondContact O-N 3.35Å; A23-K26 PolarHBondContact O-N 3.12Å; A23-Q27 WeakPolarHBondContact O-CB 3.43Å; A23-Q27 WeakPolarHBondContact O-CG 3.42Å; A23-Q27 PolarHBondContact O-N 3.03Å
24Y87.3Confident83.7Confident0 Ų051 Ų510%026%0.263CS..Hα-helixtrans-56.9-48.4174.7174.7-110.5000111.6L9 I20 K26 Q27 A28 I48 Y52 F99 F102L9-Y24 HydrophobicContact CD2-CD2 4.44Å; I20-Y24 WeakPolarHBondContact O-CB 3.46Å; I20-Y24 PolarHBondContact O-N 2.86Å; Y24-K26 VanDerWaalsContact C-N 3.33Å; Y24-K26 PolarHBondContact O-N 3.35Å; Y24-Q27 PolarHBondContact O-N 3.34Å; Y24-A28 HydrophobicContact CD2-CB 4.4Å; Y24-A28 HydrophobicContact CE1-CB 4.43Å; Y24-A28 HydrophobicContact CE2-CB 4.08Å; Y24-A28 WeakPolarHBondContact O-CB 3.35Å; Y24-A28 PolarHBondContact O-N 3.05Å; Y24-I48 HydrophobicContact CD2-CG2 3.53Å; Y24-I48 WeakPolarHBondContact CD2-O 3.37Å; Y24-I48 HydrophobicContact CE2-CG2 3.78Å; Y24-Y52 AromaticContact CD1-CD1 3.81Å; Y24-Y52 HydrophobicContact CD1-CD1 3.81Å; Y24-Y52 AromaticContact CD1-CD2 3.87Å; Y24-Y52 HydrophobicContact CD1-CD2 3.87Å; Y24-Y52 HydrophobicContact CD1-CE1 4.12Å; Y24-Y52 HydrophobicContact CD1-CE2 4.17Å; Y24-Y52 AromaticContact CD1-CG 3.68Å; Y24-Y52 HydrophobicContact CD1-CG 3.68Å; Y24-Y52 HydrophobicContact CD2-CD1 4.22Å; Y24-Y52 HydrophobicContact CD2-CD2 4.19Å; Y24-Y52 AromaticContact CD2-CG 3.63Å; Y24-Y52 HydrophobicContact CD2-CG 3.63Å; Y24-Y52 AromaticContact CE1-CD1 3.89Å; Y24-Y52 HydrophobicContact CE1-CD1 3.89Å; Y24-Y52 HydrophobicContact CE1-CE1 4.24Å; Y24-Y52 HydrophobicContact CE1-CG 4.16Å; Y24-Y52 HydrophobicContact CE2-CD1 4.29Å; Y24-Y52 HydrophobicContact CE2-CG 4.11Å; Y24-Y52 AromaticContact CG-CD1 3.98Å; Y24-Y52 HydrophobicContact CG-CD1 3.98Å; Y24-Y52 AromaticContact CG-CD2 3.54Å; Y24-Y52 HydrophobicContact CG-CD2 3.54Å; Y24-Y52 HydrophobicContact CG-CE2 4.25Å; Y24-Y52 AromaticContact CG-CG 3.38Å; Y24-Y52 HydrophobicContact CG-CG 3.38Å; Y24-F99 PolarHBondContact OH-N 2.91Å; Y24-F102 AromaticContact CD1-CD1 3.93Å; Y24-F102 HydrophobicContact CD1-CD1 3.93Å; Y24-F102 AromaticContact CD1-CD2 3.73Å; Y24-F102 HydrophobicContact CD1-CD2 3.73Å; Y24-F102 AromaticContact CD1-CE1 3.93Å; Y24-F102 HydrophobicContact CD1-CE1 3.93Å; Y24-F102 AromaticContact CD1-CE2 3.74Å; Y24-F102 HydrophobicContact CD1-CE2 3.74Å; Y24-F102 AromaticContact CD1-CG 3.82Å; Y24-F102 HydrophobicContact CD1-CG 3.82Å; Y24-F102 AromaticContact CD1-CZ 3.84Å; Y24-F102 HydrophobicContact CD1-CZ 3.84Å; Y24-F102 HydrophobicContact CE1-CB 3.83Å; Y24-F102 AromaticContact CE1-CD1 3.78Å; Y24-F102 HydrophobicContact CE1-CD1 3.78Å; Y24-F102 AromaticContact CE1-CD2 3.82Å; Y24-F102 HydrophobicContact CE1-CD2 3.82Å; Y24-F102 HydrophobicContact CE1-CE1 4.25Å; Y24-F102 HydrophobicContact CE1-CE2 4.3Å; Y24-F102 AromaticContact CE1-CG 3.53Å; Y24-F102 HydrophobicContact CE1-CG 3.53Å; Y24-F102 HydrophobicContact CE1-CZ 4.5Å
25R84.4Confident83.5Confident74 Ų7453.3 Ų53.328%0.27926%0.255SS..Hα-helixtrans-54.9-47.7177.5-177.3179.8-68.2168.2-2.6112.4K21 K22 A23 L29 F102 F103K21-R25 WeakPolarHBondContact O-CB 3.36Å; K21-R25 PolarHBondContact O-N 3.46Å; K22-R25 PolarHBondContact O-N 3.02Å; A23-R25 PolarHBondContact O-N 3.35Å; R25-L29 HydrophobicContact CG-CD1 4.23Å; R25-L29 WeakPolarHBondContact O-CB 3.09Å; R25-L29 WeakPolarHBondContact O-CG 3.47Å; R25-L29 PolarHBondContact O-N 2.83Å; R25-F102 HydrophobicContact CB-CE1 3.86Å; R25-F102 HydrophobicContact CB-CZ 4.1Å; R25-F102 HydrophobicContact CG-CE1 4.26Å; R25-F103 HydrophobicContact CB-CZ 4.43Å; R25-F103 HydrophobicContact CG-CE1 3.89Å; R25-F103 HydrophobicContact CG-CZ 3.82Å
26K84.8Confident83.2Confident89 Ų8955 Ų5539%0.38726%0.263SS..Hα-helixtrans-63.9-44.9-178.5-174.8173.5-178.8173.20111.3K22 A23 Y24 K30 D131 F133K22-K26 PolarHBondContact O-N 3.11Å; K22-K26 VanDerWaalsContact O-N 3.14Å; A23-K26 PolarHBondContact O-N 3.12Å; Y24-K26 VanDerWaalsContact C-N 3.33Å; Y24-K26 PolarHBondContact O-N 3.35Å; K26-K30 WeakPolarHBondContact O-CB 3.2Å; K26-K30 PolarHBondContact O-N 2.88Å; K26-D131 IonicContact NZ-OD1 2.65Å; K26-F133 HydrophobicContact CB-CE1 4.43Å; K26-F133 HydrophobicContact CD-CD2 4.18Å; K26-F133 HydrophobicContact CD-CE2 4.41Å; K26-F133 HydrophobicContact CD-CG 4.42Å; K26-F133 HydrophobicContact CG-CD2 4.24Å; K26-F133 HydrophobicContact CG-CE1 4.31Å; K26-F133 HydrophobicContact CG-CE2 4.03Å; K26-F133 HydrophobicContact CG-CG 4.48Å; K26-F133 HydrophobicContact CG-CZ 4.06Å
27Q85.9Confident82.8Confident38 Ų3861 Ų6118%0.17828%0.283CS..Hα-helixtrans-75-41.7-176.5-70.5-78.278.600112.2T8 A23 Y24 L29 K30 W31 I48T8-Q27 PolarHBondContact O-NE2 3.26Å; T8-Q27 VanDerWaalsContact O-NE2 3.09Å; A23-Q27 WeakPolarHBondContact O-CB 3.43Å; A23-Q27 WeakPolarHBondContact O-CG 3.42Å; A23-Q27 PolarHBondContact O-N 3.03Å; Y24-Q27 PolarHBondContact O-N 3.34Å; Q27-L29 PolarHBondContact O-N 3.45Å; Q27-K30 WeakPolarHBondContact O-CB 3.23Å; Q27-K30 PolarHBondContact O-N 3.43Å; Q27-W31 PolarHBondContact O-N 2.76Å; Q27-I48 HydrophobicContact CB-CD1 3.71Å; Q27-I48 HydrophobicContact CB-CG1 4.01Å; Q27-I48 HydrophobicContact CB-CG2 3.83Å
28A85.6Confident82.9Confident0 Ų059.9 Ų59.90%028%0.283CS..Hα-helixtrans-60.5-44.3177.200000111.7Y24 K30 H32 F45 I48 F99 F103Y24-A28 HydrophobicContact CD2-CB 4.4Å; Y24-A28 HydrophobicContact CE1-CB 4.43Å; Y24-A28 HydrophobicContact CE2-CB 4.08Å; Y24-A28 WeakPolarHBondContact O-CB 3.35Å; Y24-A28 PolarHBondContact O-N 3.05Å; A28-K30 VanDerWaalsContact C-N 3.27Å; A28-K30 PolarHBondContact O-N 3.01Å; A28-H32 WeakPolarHBondContact O-CB 3.34Å; A28-H32 PolarHBondContact O-N 3.19Å; A28-F45 HydrophobicContact CB-CE2 4.16Å; A28-I48 HydrophobicContact CB-CG2 4.44Å; A28-F99 HydrophobicContact CB-CD2 4.08Å; A28-F99 HydrophobicContact CB-CE2 4.2Å; A28-F103 HydrophobicContact CB-CE2 4.48Å
29L84.8Confident82.7Confident7 Ų759.8 Ų59.84%0.03730%0.3CS..Hα-helixtrans-69.3-22.3175.1-70.6173.7000113.8R25 Q27 K35 F99 F103 P108 F109R25-L29 HydrophobicContact CG-CD1 4.23Å; R25-L29 WeakPolarHBondContact O-CB 3.09Å; R25-L29 WeakPolarHBondContact O-CG 3.47Å; R25-L29 PolarHBondContact O-N 2.83Å; Q27-L29 PolarHBondContact O-N 3.45Å; L29-K35 WeakPolarHBondContact O-CD 3.5Å; L29-K35 PolarHBondContact O-NZ 3.2Å; L29-F99 HydrophobicContact CD2-CE2 4.46Å; L29-F99 HydrophobicContact CD2-CZ 4.38Å; L29-F103 HydrophobicContact CD1-CZ 4.47Å; L29-F103 HydrophobicContact CD2-CZ 4.3Å; L29-F103 HydrophobicContact CG-CZ 4.1Å; L29-P108 HydrophobicContact CD2-CB 4.22Å; L29-P108 HydrophobicContact CD2-CG 3.89Å; L29-F109 HydrophobicContact CD2-CD1 4.15Å; L29-F109 HydrophobicContact CD2-CE1 3.69Å; L29-F109 HydrophobicContact CD2-CE2 4.45Å; L29-F109 HydrophobicContact CD2-CZ 3.85Å
30K84.8Confident82.5Confident113 Ų11358.9 Ų58.949%0.49130%0.302SS..Hα-helixtrans-79.8-39.3179.2-177.9177.1177.2178.90111.7K26 Q27 A28K26-K30 WeakPolarHBondContact O-CB 3.2Å; K26-K30 PolarHBondContact O-N 2.88Å; Q27-K30 WeakPolarHBondContact O-CB 3.23Å; Q27-K30 PolarHBondContact O-N 3.43Å; A28-K30 VanDerWaalsContact C-N 3.27Å; A28-K30 PolarHBondContact O-N 3.01Å
31W84.4Confident82.1Confident41 Ų4158.9 Ų58.916%0.15530%0.302CS..Hα-helixtrans-106.33-172.7-64.2103.8000114.3Q27 N36 A41 K44 F45 I48Q27-W31 PolarHBondContact O-N 2.76Å; W31-N36 VanDerWaalsContact CE3-ND2 3.3Å; W31-N36 WeakPolarHBondContact CZ3-ND2 3.44Å; W31-A41 HydrophobicContact CE3-CB 3.85Å; W31-A41 HydrophobicContact CZ3-CB 4.44Å; W31-K44 HydrophobicContact CB-CB 4.42Å; W31-K44 HydrophobicContact CD2-CB 4.02Å; W31-K44 HydrophobicContact CD2-CD 3.96Å; W31-K44 HydrophobicContact CE3-CB 4.24Å; W31-K44 HydrophobicContact CE3-CD 4.08Å; W31-K44 HydrophobicContact CG-CB 4.12Å; W31-K44 HydrophobicContact CH2-CD 3.73Å; W31-K44 HydrophobicContact CZ2-CD 3.6Å; W31-K44 HydrophobicContact CZ3-CD 3.96Å; W31-F45 HydrophobicContact CB-CB 4.42Å; W31-I48 HydrophobicContact CB-CD1 4.04Å; W31-I48 HydrophobicContact CG-CD1 3.94Å
32H85.1Confident81.9Confident12 Ų1262.6 Ų62.66%0.05632%0.32CS..  trans-55.9136.3177-164-91.9000112.4A28 D34 K35 N36 F45 F99 F109A28-H32 WeakPolarHBondContact O-CB 3.34Å; A28-H32 PolarHBondContact O-N 3.19Å; H32-D34 IonicContact CE1-OD2 3.77Å; H32-D34 PolarHBondContact CE1-OD2 3.06Å; H32-D34 VanDerWaalsContact CE1-OD2 3.27Å; H32-D34 WeakPolarHBondContact ND1-CB 3.39Å; H32-D34 PolarHBondContact ND1-N 2.93Å; H32-D34 IonicContact ND1-OD2 3.1Å; H32-D34 PolarHBondContact O-N 3.31Å; H32-D34 VanDerWaalsContact O-N 3.16Å; H32-K35 PolarHBondContact O-N 3.23Å; H32-N36 PolarHBondContact O-N 2.91Å; H32-F45 AromaticContact CD2-CE2 3.81Å; H32-F45 AromaticContact CD2-CZ 3.68Å; H32-F99 AromaticContact CD2-CE2 3.77Å; H32-F99 AromaticContact CD2-CZ 3.75Å; H32-F99 AromaticContact NE2-CE1 3.9Å; H32-F109 HydrophobicContact CB-CE1 4.48Å; H32-F109 HydrophobicContact CB-CE2 4.48Å; H32-F109 HydrophobicContact CB-CZ 3.64Å; H32-F109 AromaticContact CG-CE2 3.97Å; H32-F109 AromaticContact CG-CZ 3.6Å; H32-F109 AromaticContact ND1-CE2 3.82Å; H32-F109 AromaticContact ND1-CZ 3.76Å
33P80.1Confident81.9Confident38 Ų3864.3 Ų64.325%0.24733%0.329CS..THydrogen-bonded Turntrans-54-35.9-177.9-28.635.2000114.5K35 N36P33-K35 VanDerWaalsContact C-N 3.27Å; P33-K35 PolarHBondContact O-N 3.07Å; P33-N36 CarbonylContact O-C 3.54Å
34D77.3Confident81.8Confident119 Ų11968 Ų6864%0.63634%0.343SS*.THydrogen-bonded Turntrans-64.4-29.5177.7-67.8-15000113.7H32H32-D34 IonicContact CE1-OD2 3.77Å; H32-D34 PolarHBondContact CE1-OD2 3.06Å; H32-D34 VanDerWaalsContact CE1-OD2 3.27Å; H32-D34 WeakPolarHBondContact ND1-CB 3.39Å; H32-D34 PolarHBondContact ND1-N 2.93Å; H32-D34 IonicContact ND1-OD2 3.1Å; H32-D34 PolarHBondContact O-N 3.31Å; H32-D34 VanDerWaalsContact O-N 3.16Å
35K76.2Confident81.7Confident108 Ų10868.1 Ų68.147%0.4734%0.344SS..THydrogen-bonded Turntrans-96.5-36.3-178.9-171.6-174.6-179.3-178.80111.9L29 H32 P33 F109L29-K35 WeakPolarHBondContact O-CD 3.5Å; L29-K35 PolarHBondContact O-NZ 3.2Å; H32-K35 PolarHBondContact O-N 3.23Å; P33-K35 VanDerWaalsContact C-N 3.27Å; P33-K35 PolarHBondContact O-N 3.07Å; K35-F109 HydrophobicContact CB-CE1 4.44Å
36N77.3Confident81.8Confident45 Ų4569.7 Ų69.724%0.24135%0.353CS..  trans-125.2102.8-175.3-170.1-13.4000110.2W31 H32 P33 S38 A41W31-N36 VanDerWaalsContact CE3-ND2 3.3Å; W31-N36 WeakPolarHBondContact CZ3-ND2 3.44Å; H32-N36 PolarHBondContact O-N 2.91Å; P33-N36 CarbonylContact O-C 3.54Å; N36-S38 PolarHBondContact O-N 2.82Å; N36-S38 WeakPolarHBondContact OD1-CB 3.44Å; N36-S38 PolarHBondContact OD1-N 3Å; N36-S38 VanDerWaalsContact OD1-N 3.11Å; N36-S38 PolarHBondContact OD1-OG 3.49Å; N36-A41 HydrophobicContact CB-CB 3.79Å; N36-A41 VanDerWaalsContact O-CB 3.3Å; N36-A41 WeakPolarHBondContact O-CB 3.48Å
37K78.6Confident81.9Confident197 Ų19767.6 Ų67.686%0.85734%0.344SS*.  trans-84.712.8-179.6-59.9-174.5177.6-174.20113.9
38S80.8Confident82Confident51 Ų5165.9 Ų65.936%0.35734%0.337SS..SBendtrans-74.4144.417662.10000110.7N36 A40 A41N36-S38 PolarHBondContact O-N 2.82Å; N36-S38 WeakPolarHBondContact OD1-CB 3.44Å; N36-S38 PolarHBondContact OD1-N 3Å; N36-S38 VanDerWaalsContact OD1-N 3.11Å; N36-S38 PolarHBondContact OD1-OG 3.49Å; S38-A40 PolarHBondContact O-N 2.94Å; S38-A40 VanDerWaalsContact O-N 3.17Å; S38-A41 VanDerWaalsContact O-CB 3.28Å; S38-A41 WeakPolarHBondContact O-CB 3.43Å; S38-A41 PolarHBondContact O-N 3.17Å; S38-A41 WeakPolarHBondContact OG-CB 3.45Å
39A75.5Confident82.1Confident99 Ų9965.9 Ų65.982%0.81834%0.337SS*.Hα-helixtrans-58.9-2917900000112.8A41A39-A41 VanDerWaalsContact C-N 3.32Å; A39-A41 PolarHBondContact O-N 2.68Å
40A78.1Confident82.2Confident50 Ų5066 Ų6641%0.41334%0.337SS..Hα-helixtrans-78.3-11.4176.500000113.9S38 K44S38-A40 PolarHBondContact O-N 2.94Å; S38-A40 VanDerWaalsContact O-N 3.17Å; A40-K44 WeakPolarHBondContact O-CG 3.47Å; A40-K44 PolarHBondContact O-N 2.82Å
41A78.4Confident82.4Confident0 Ų060.6 Ų60.60%031%0.313CS..Hα-helixtrans-75.9-39.1-17800000112.6W31 N36 S38 A39 K44 F45W31-A41 HydrophobicContact CE3-CB 3.85Å; W31-A41 HydrophobicContact CZ3-CB 4.44Å; N36-A41 HydrophobicContact CB-CB 3.79Å; N36-A41 VanDerWaalsContact O-CB 3.3Å; N36-A41 WeakPolarHBondContact O-CB 3.48Å; S38-A41 VanDerWaalsContact O-CB 3.28Å; S38-A41 WeakPolarHBondContact O-CB 3.43Å; S38-A41 PolarHBondContact O-N 3.17Å; S38-A41 WeakPolarHBondContact OG-CB 3.45Å; A39-A41 VanDerWaalsContact C-N 3.32Å; A39-A41 PolarHBondContact O-N 2.68Å; A41-K44 PolarHBondContact O-N 3.2Å; A41-F45 VanDerWaalsContact O-CB 3.23Å; A41-F45 WeakPolarHBondContact O-CB 3.31Å; A41-F45 PolarHBondContact O-N 3.47Å
42E81.4Confident82.5Confident135 Ų13559.9 Ų59.963%0.63131%0.311SS*.Hα-helixtrans-64.4-43.3177.5-172.5174.2-178.300111.4F45 K46E42-F45 PolarHBondContact O-N 3.11Å; E42-K46 PolarHBondContact O-N 3.35Å
43E83.2Confident82.5Confident123 Ų12361.3 Ų61.358%0.57532%0.318SS*.Hα-helixtrans-61.7-47175.6-170.4174-16500111.3F45 K46 E47E43-F45 PolarHBondContact O-N 2.95Å; E43-K46 WeakPolarHBondContact O-CB 3.48Å; E43-K46 PolarHBondContact O-N 3.38Å; E43-E47 WeakPolarHBondContact O-CG 3.47Å; E43-E47 PolarHBondContact O-N 3.25Å
44K83.6Confident82.8Confident89 Ų8959.5 Ų59.539%0.38731%0.306SS..Hα-helixtrans-65.3-37.6176.3-74.7-166179.8-170.40113.1W31 A40 A41 K46 E47 I48W31-K44 HydrophobicContact CB-CB 4.42Å; W31-K44 HydrophobicContact CD2-CB 4.02Å; W31-K44 HydrophobicContact CD2-CD 3.96Å; W31-K44 HydrophobicContact CE3-CB 4.24Å; W31-K44 HydrophobicContact CE3-CD 4.08Å; W31-K44 HydrophobicContact CG-CB 4.12Å; W31-K44 HydrophobicContact CH2-CD 3.73Å; W31-K44 HydrophobicContact CZ2-CD 3.6Å; W31-K44 HydrophobicContact CZ3-CD 3.96Å; A40-K44 WeakPolarHBondContact O-CG 3.47Å; A40-K44 PolarHBondContact O-N 2.82Å; A41-K44 PolarHBondContact O-N 3.2Å; K44-K46 VanDerWaalsContact C-N 3.31Å; K44-K46 PolarHBondContact O-N 2.83Å; K44-E47 PolarHBondContact O-N 3.12Å; K44-I48 HydrophobicContact CB-CD1 4.5Å; K44-I48 WeakPolarHBondContact O-CB 3.31Å; K44-I48 WeakPolarHBondContact O-CD1 3.28Å; K44-I48 WeakPolarHBondContact O-CG1 3.37Å; K44-I48 PolarHBondContact O-N 2.88Å
45F86.4Confident83.3Confident3 Ų354 Ų541%0.01328%0.276CS..Hα-helixtrans-63-41177.4-177.3-112.1000111.3A28 W31 H32 A41 E42 E43 I48 A49 P95 F99A28-F45 HydrophobicContact CB-CE2 4.16Å; W31-F45 HydrophobicContact CB-CB 4.42Å; H32-F45 AromaticContact CD2-CE2 3.81Å; H32-F45 AromaticContact CD2-CZ 3.68Å; A41-F45 VanDerWaalsContact O-CB 3.23Å; A41-F45 WeakPolarHBondContact O-CB 3.31Å; A41-F45 PolarHBondContact O-N 3.47Å; E42-F45 PolarHBondContact O-N 3.11Å; E43-F45 PolarHBondContact O-N 2.95Å; F45-I48 PolarHBondContact O-N 2.96Å; F45-A49 PolarHBondContact O-N 2.99Å; F45-P95 HydrophobicContact CD1-CB 3.7Å; F45-P95 HydrophobicContact CE1-CB 3.57Å; F45-F99 AromaticContact CE2-CD2 3.93Å; F45-F99 HydrophobicContact CE2-CD2 3.93Å; F45-F99 HydrophobicContact CE2-CE2 4.48Å; F45-F99 HydrophobicContact CZ-CB 3.95Å; F45-F99 AromaticContact CZ-CD2 3.91Å; F45-F99 HydrophobicContact CZ-CD2 3.91Å; F45-F99 HydrophobicContact CZ-CG 4.11Å
46K86.3Confident83.7Confident107 Ų10750.3 Ų50.347%0.46526%0.264SS..Hα-helixtrans-61.5-46.4173-172.2176.3-177.2-179.90111.9E42 E43 K44 I48 A49 E50 F91 P95E42-K46 PolarHBondContact O-N 3.35Å; E43-K46 WeakPolarHBondContact O-CB 3.48Å; E43-K46 PolarHBondContact O-N 3.38Å; K44-K46 VanDerWaalsContact C-N 3.31Å; K44-K46 PolarHBondContact O-N 2.83Å; K46-I48 VanDerWaalsContact C-N 3.34Å; K46-I48 PolarHBondContact O-N 2.88Å; K46-A49 PolarHBondContact O-N 3.36Å; K46-E50 WeakPolarHBondContact O-CB 3.33Å; K46-E50 PolarHBondContact O-N 3.06Å; K46-F91 HydrophobicContact CG-CE1 4.09Å; K46-F91 HydrophobicContact CG-CZ 4.47Å; K46-P95 HydrophobicContact CB-CG 4.03Å; K46-P95 HydrophobicContact CG-CG 3.88Å
47E86.7Confident83.9Confident44 Ų4450.9 Ų50.921%0.20627%0.267CS..Hα-helixtrans-62.8-38.4177.6-70.1-179.7163.700112.8R3 T8 E43 K44 A51R3-E47 IonicContact CZ-OE1 2.92Å; R3-E47 IonicContact NE-OE1 3.52Å; R3-E47 IonicContact NH2-OE1 2.91Å; R3-E47 PolarHBondContact NH2-OE1 2.91Å; R3-E47 VanDerWaalsContact NH2-OE1 3.1Å; T8-E47 HydrophobicContact CG2-CB 3.97Å; E43-E47 WeakPolarHBondContact O-CG 3.47Å; E43-E47 PolarHBondContact O-N 3.25Å; K44-E47 PolarHBondContact O-N 3.12Å; E47-A51 VanDerWaalsContact O-CB 3.3Å; E47-A51 WeakPolarHBondContact O-CB 3.43Å; E47-A51 PolarHBondContact O-N 3.42Å
48I88.9Confident84.2Confident3 Ų346 Ų462%0.01526%0.256CS..Hα-helixtrans-67.3-39.4177.1-70.7157.4000111.1T8 L9 Y24 Q27 A28 W31 K44 F45 K46 Y52T8-I48 HydrophobicContact CG2-CG1 4.15Å; L9-I48 HydrophobicContact CD2-CG2 4.02Å; Y24-I48 HydrophobicContact CD2-CG2 3.53Å; Y24-I48 WeakPolarHBondContact CD2-O 3.37Å; Y24-I48 HydrophobicContact CE2-CG2 3.78Å; Q27-I48 HydrophobicContact CB-CD1 3.71Å; Q27-I48 HydrophobicContact CB-CG1 4.01Å; Q27-I48 HydrophobicContact CB-CG2 3.83Å; A28-I48 HydrophobicContact CB-CG2 4.44Å; W31-I48 HydrophobicContact CB-CD1 4.04Å; W31-I48 HydrophobicContact CG-CD1 3.94Å; K44-I48 HydrophobicContact CB-CD1 4.5Å; K44-I48 WeakPolarHBondContact O-CB 3.31Å; K44-I48 WeakPolarHBondContact O-CD1 3.28Å; K44-I48 WeakPolarHBondContact O-CG1 3.37Å; K44-I48 PolarHBondContact O-N 2.88Å; F45-I48 PolarHBondContact O-N 2.96Å; K46-I48 VanDerWaalsContact C-N 3.34Å; K46-I48 PolarHBondContact O-N 2.88Å; I48-Y52 PolarHBondContact O-N 2.79Å; I48-Y52 VanDerWaalsContact O-N 3.11Å
49A86.3Confident84.3Confident0 Ų050.9 Ų50.90%027%0.271CS..Hα-helixtrans-66.2-44.3175.700000112.1F45 K46 Y52 E53 F91 P95F45-A49 PolarHBondContact O-N 2.99Å; K46-A49 PolarHBondContact O-N 3.36Å; A49-Y52 PolarHBondContact O-N 2.73Å; A49-E53 PolarHBondContact O-N 2.85Å; A49-F91 HydrophobicContact CB-CZ 4.48Å; A49-P95 HydrophobicContact CB-CB 3.91Å; A49-P95 HydrophobicContact CB-CG 4.46Å
50E86.7Confident84.6Confident8 Ų847.4 Ų47.44%0.03724%0.237CC..Hα-helixtrans-61.3-47175.6-170.7-177165.200111.5R3 Y5 K46 Y52 E53 V54 F91R3-E50 IonicContact NH1-OE2 3.82Å; R3-E50 PolarHBondContact NH1-OE2 3.38Å; Y5-E50 HydrophobicContact CE1-CB 4.47Å; Y5-E50 HydrophobicContact CE1-CG 3.94Å; Y5-E50 PolarHBondContact OH-OE1 2.81Å; K46-E50 WeakPolarHBondContact O-CB 3.33Å; K46-E50 PolarHBondContact O-N 3.06Å; E50-Y52 VanDerWaalsContact C-N 3.3Å; E50-Y52 PolarHBondContact O-N 2.8Å; E50-E53 PolarHBondContact O-N 3.48Å; E50-V54 WeakPolarHBondContact O-CG2 3.45Å; E50-V54 PolarHBondContact O-N 3.43Å; E50-V54 VanDerWaalsContact O-N 3.1Å; E50-F91 HydrophobicContact CB-CD2 3.88Å; E50-F91 HydrophobicContact CB-CE2 3.7Å; E50-F91 HydrophobicContact CB-CZ 4.28Å; E50-F91 HydrophobicContact CG-CD2 3.76Å; E50-F91 HydrophobicContact CG-CE2 4.13Å; E50-F91 HydrophobicContact CG-CG 4.27Å
51A88.8Confident85Confident0 Ų047.2 Ų47.20%023%0.226CC..Hα-helixtrans-58.9-41.6177.800000112.4Y5 T8 L9 E47 L55Y5-A51 HydrophobicContact CD1-CB 3.63Å; Y5-A51 HydrophobicContact CG-CB 3.96Å; T8-A51 HydrophobicContact CG2-CB 4.19Å; L9-A51 HydrophobicContact CD1-CB 4.28Å; L9-A51 HydrophobicContact CD2-CB 4.1Å; L9-A51 HydrophobicContact CG-CB 3.85Å; E47-A51 VanDerWaalsContact O-CB 3.3Å; E47-A51 WeakPolarHBondContact O-CB 3.43Å; E47-A51 PolarHBondContact O-N 3.42Å; A51-L55 VanDerWaalsContact O-CB 3.24Å; A51-L55 WeakPolarHBondContact O-CB 3.42Å; A51-L55 WeakPolarHBondContact O-CG 3.22Å; A51-L55 PolarHBondContact O-N 2.92Å
52Y87.6Confident85.2Confident27 Ų2752.6 Ų52.611%0.10625%0.251CS..Hα-helixtrans-70.4-41.1177.6178.5-104.6000112.5I20 K21 Y24 I48 A49 E50 V54 L55 S56 T98 F102I20-Y52 HydrophobicContact CG2-CD2 3.95Å; I20-Y52 HydrophobicContact CG2-CE2 4.29Å; K21-Y52 HydrophobicContact CB-CE2 4.45Å; K21-Y52 HydrophobicContact CG-CE2 3.82Å; Y24-Y52 AromaticContact CD1-CD1 3.81Å; Y24-Y52 HydrophobicContact CD1-CD1 3.81Å; Y24-Y52 AromaticContact CD1-CD2 3.87Å; Y24-Y52 HydrophobicContact CD1-CD2 3.87Å; Y24-Y52 HydrophobicContact CD1-CE1 4.12Å; Y24-Y52 HydrophobicContact CD1-CE2 4.17Å; Y24-Y52 AromaticContact CD1-CG 3.68Å; Y24-Y52 HydrophobicContact CD1-CG 3.68Å; Y24-Y52 HydrophobicContact CD2-CD1 4.22Å; Y24-Y52 HydrophobicContact CD2-CD2 4.19Å; Y24-Y52 AromaticContact CD2-CG 3.63Å; Y24-Y52 HydrophobicContact CD2-CG 3.63Å; Y24-Y52 AromaticContact CE1-CD1 3.89Å; Y24-Y52 HydrophobicContact CE1-CD1 3.89Å; Y24-Y52 HydrophobicContact CE1-CE1 4.24Å; Y24-Y52 HydrophobicContact CE1-CG 4.16Å; Y24-Y52 HydrophobicContact CE2-CD1 4.29Å; Y24-Y52 HydrophobicContact CE2-CG 4.11Å; Y24-Y52 AromaticContact CG-CD1 3.98Å; Y24-Y52 HydrophobicContact CG-CD1 3.98Å; Y24-Y52 AromaticContact CG-CD2 3.54Å; Y24-Y52 HydrophobicContact CG-CD2 3.54Å; Y24-Y52 HydrophobicContact CG-CE2 4.25Å; Y24-Y52 AromaticContact CG-CG 3.38Å; Y24-Y52 HydrophobicContact CG-CG 3.38Å; I48-Y52 PolarHBondContact O-N 2.79Å; I48-Y52 VanDerWaalsContact O-N 3.11Å; A49-Y52 PolarHBondContact O-N 2.73Å; E50-Y52 VanDerWaalsContact C-N 3.3Å; E50-Y52 PolarHBondContact O-N 2.8Å; Y52-V54 VanDerWaalsContact C-N 3.26Å; Y52-V54 PolarHBondContact O-N 3.11Å; Y52-L55 PolarHBondContact O-N 2.82Å; Y52-S56 WeakPolarHBondContact O-CB 3.5Å; Y52-S56 PolarHBondContact O-N 3.04Å; Y52-S56 PolarHBondContact O-OG 3.01Å; Y52-T98 HydrophobicContact CD1-CG2 4.07Å; Y52-F102 AromaticContact CE1-CD2 3.66Å; Y52-F102 HydrophobicContact CE1-CD2 3.66Å; Y52-F102 HydrophobicContact CE1-CE2 4.17Å; Y52-F102 HydrophobicContact CE2-CD2 4.28Å; Y52-F102 AromaticContact CE2-CE2 3.94Å; Y52-F102 HydrophobicContact CE2-CE2 3.94Å; Y52-F102 AromaticContact CZ-CD2 3.49Å; Y52-F102 VanDerWaalsContact CZ-CD2 3.49Å; Y52-F102 AromaticContact CZ-CE2 3.55Å; Y52-F102 VanDerWaalsContact OH-CD2 3.31Å; Y52-F102 WeakPolarHBondContact OH-CD2 3.48Å; Y52-F102 WeakPolarHBondContact OH-CE2 3.43Å
53E85Confident85.2Confident42 Ų4248.2 Ų48.220%0.19623%0.231CC..Hα-helixtrans-62-36.6179.5-158.9-157.8148.400112.3A49 E50 K60 Y89 F91A49-E53 PolarHBondContact O-N 2.85Å; E50-E53 PolarHBondContact O-N 3.48Å; E53-K60 IonicContact OE1-NZ 3.58Å; E53-K60 PolarHBondContact OE1-NZ 2.59Å; E53-Y89 VanDerWaalsContact CD-OH 3.3Å; E53-Y89 WeakPolarHBondContact OE1-CE2 3.14Å; E53-Y89 PolarHBondContact OE2-OH 3.32Å; E53-F91 WeakPolarHBondContact OE2-CD2 3.3Å
54V86.5Confident85.2Confident0 Ų043.2 Ų43.20%021%0.207CC..Hα-helixtrans-75.3-47176.6172.60000111.5Y5 E50 Y52 K60 R61 Y64 L72 Y89Y5-V54 HydrophobicContact CD2-CB 4.05Å; Y5-V54 HydrophobicContact CD2-CG1 3.84Å; Y5-V54 HydrophobicContact CD2-CG2 4.37Å; Y5-V54 HydrophobicContact CE2-CB 3.98Å; Y5-V54 HydrophobicContact CE2-CG1 3.86Å; Y5-V54 HydrophobicContact CE2-CG2 3.8Å; E50-V54 WeakPolarHBondContact O-CG2 3.45Å; E50-V54 PolarHBondContact O-N 3.43Å; E50-V54 VanDerWaalsContact O-N 3.1Å; Y52-V54 VanDerWaalsContact C-N 3.26Å; Y52-V54 PolarHBondContact O-N 3.11Å; V54-K60 HydrophobicContact CG1-CB 4.34Å; V54-K60 CarbonylContact O-C 3.56Å; V54-K60 VanDerWaalsContact O-CB 3.3Å; V54-K60 WeakPolarHBondContact O-CB 3.23Å; V54-R61 PolarHBondContact O-N 3.48Å; V54-Y64 HydrophobicContact CG1-CD2 4.29Å; V54-Y64 HydrophobicContact CG1-CG 3.97Å; V54-L72 HydrophobicContact CB-CD1 4.3Å; V54-L72 HydrophobicContact CG1-CD1 3.51Å; V54-L72 HydrophobicContact CG1-CD2 4.45Å; V54-L72 HydrophobicContact CG2-CD1 3.75Å; V54-Y89 HydrophobicContact CG2-CE1 3.77Å
55L87.4Confident85.3Confident3 Ų341.3 Ų41.32%0.01620%0.201CC..Hα-helixtrans-80.8-18.4-173.1-65177.3000113.8Y6 L9 I20 A51 Y52 R61 Y64Y6-L55 HydrophobicContact CD1-CD1 4.13Å; Y6-L55 HydrophobicContact CD2-CD2 4.48Å; Y6-L55 HydrophobicContact CE1-CD1 4.24Å; Y6-L55 HydrophobicContact CE1-CD2 4.01Å; Y6-L55 HydrophobicContact CE2-CD2 3.89Å; Y6-L55 HydrophobicContact CG-CD1 4.37Å; L9-L55 HydrophobicContact CD1-CD1 3.83Å; I20-L55 HydrophobicContact CD1-CB 4.11Å; I20-L55 HydrophobicContact CG1-CB 4.47Å; I20-L55 HydrophobicContact CG2-CB 3.88Å; A51-L55 VanDerWaalsContact O-CB 3.24Å; A51-L55 WeakPolarHBondContact O-CB 3.42Å; A51-L55 WeakPolarHBondContact O-CG 3.22Å; A51-L55 PolarHBondContact O-N 2.92Å; Y52-L55 PolarHBondContact O-N 2.82Å; L55-R61 HydrophobicContact CD2-CG 4.17Å; L55-Y64 HydrophobicContact CD2-CD1 3.86Å; L55-Y64 HydrophobicContact CD2-CE1 4.22Å
56S83.6Confident85Confident31 Ų3146.5 Ų46.522%0.21723%0.225CC..Hα-helixtrans-82.1-2117861.80000114.1Y52Y52-S56 WeakPolarHBondContact O-CB 3.5Å; Y52-S56 PolarHBondContact O-N 3.04Å; Y52-S56 PolarHBondContact O-OG 3.01Å
57D83.1Confident84.6Confident57 Ų5746.3 Ų46.331%0.30522%0.222SC..SBendtrans-94.7119.3174.8-176.9-41.6000109.4K59 K60 R61D57-K59 PolarHBondContact O-N 3.37Å; D57-K59 VanDerWaalsContact O-N 3.16Å; D57-K59 WeakPolarHBondContact OD1-CB 3.47Å; D57-K59 PolarHBondContact OD1-N 2.83Å; D57-K60 HydrophobicContact CB-CB 4.01Å; D57-K60 HydrophobicContact CB-CD 3.93Å; D57-K60 HydrophobicContact CB-CG 3.96Å; D57-K60 PolarHBondContact O-N 2.88Å; D57-K60 PolarHBondContact OD1-N 3.31Å; D57-R61 VanDerWaalsContact O-CB 3.31Å; D57-R61 WeakPolarHBondContact O-CB 3.39Å; D57-R61 PolarHBondContact O-N 2.81Å
58P83.7Confident84.3Confident95 Ų9545.5 Ų45.562%0.61723%0.226SC*.Hα-helixtrans-53.7-36.8-178.6-27.835.1000114.1E62P58-E62 WeakPolarHBondContact O-CB 3.41Å; P58-E62 PolarHBondContact O-N 3.21Å
59K82.4Confident83.6Confident153 Ų15346.6 Ų46.667%0.66523%0.231SC*.Hα-helixtrans-73.9-43.5-178.9-63.6-177.2177.9-176.80111.4D57 R61 E62 I63D57-K59 PolarHBondContact O-N 3.37Å; D57-K59 VanDerWaalsContact O-N 3.16Å; D57-K59 WeakPolarHBondContact OD1-CB 3.47Å; D57-K59 PolarHBondContact OD1-N 2.83Å; K59-R61 VanDerWaalsContact C-N 3.33Å; K59-E62 PolarHBondContact O-N 2.71Å; K59-I63 VanDerWaalsContact O-CG1 3.32Å; K59-I63 WeakPolarHBondContact O-CG1 3.23Å; K59-I63 PolarHBondContact O-N 3.48Å; K59-I63 VanDerWaalsContact O-N 3.13Å
60K83.4Confident82.8Confident26 Ų2653.5 Ų53.511%0.11326%0.263CS..Hα-helixtrans-66.5-38.6176.7-65.8-179-175.7171.90111.3E53 V54 D57 I63 Y64 L72 F87 Y89E53-K60 IonicContact OE1-NZ 3.58Å; E53-K60 PolarHBondContact OE1-NZ 2.59Å; V54-K60 HydrophobicContact CG1-CB 4.34Å; V54-K60 CarbonylContact O-C 3.56Å; V54-K60 VanDerWaalsContact O-CB 3.3Å; V54-K60 WeakPolarHBondContact O-CB 3.23Å; D57-K60 HydrophobicContact CB-CB 4.01Å; D57-K60 HydrophobicContact CB-CD 3.93Å; D57-K60 HydrophobicContact CB-CG 3.96Å; D57-K60 PolarHBondContact O-N 2.88Å; D57-K60 PolarHBondContact OD1-N 3.31Å; K60-I63 PolarHBondContact O-N 2.68Å; K60-Y64 VanDerWaalsContact O-CB 3.26Å; K60-Y64 WeakPolarHBondContact O-CB 3.4Å; K60-Y64 PolarHBondContact O-N 3.1Å; K60-L72 HydrophobicContact CB-CD2 4.31Å; K60-F87 HydrophobicContact CD-CZ 4.41Å; K60-F87 HydrophobicContact CG-CE1 4.09Å; K60-F87 HydrophobicContact CG-CZ 3.76Å; K60-Y89 HydrophobicContact CD-CD2 4.32Å; K60-Y89 HydrophobicContact CD-CE2 4.28Å
61R85.6Confident81.9Confident46 Ų4653.9 Ų53.917%0.17427%0.269CS..Hα-helixtrans-62.2-44.5175.4-178.9178.5175.81723.6111.6Y6 A15 V54 L55 D57 K59 Y64 D65Y6-R61 PolarHBondContact OH-NE 3.44Å; Y6-R61 VanDerWaalsContact OH-NE 3.16Å; A15-R61 VanDerWaalsContact O-CZ 3.3Å; A15-R61 PolarHBondContact O-NH1 3.28Å; A15-R61 PolarHBondContact O-NH2 2.96Å; V54-R61 PolarHBondContact O-N 3.48Å; L55-R61 HydrophobicContact CD2-CG 4.17Å; D57-R61 VanDerWaalsContact O-CB 3.31Å; D57-R61 WeakPolarHBondContact O-CB 3.39Å; D57-R61 PolarHBondContact O-N 2.81Å; K59-R61 VanDerWaalsContact C-N 3.33Å; R61-Y64 PolarHBondContact O-N 3.01Å; R61-D65 IonicContact NE-OD2 2.59Å; R61-D65 VanDerWaalsContact O-CB 3.29Å; R61-D65 WeakPolarHBondContact O-CB 3.45Å; R61-D65 VanDerWaalsContact O-CG 3.25Å; R61-D65 PolarHBondContact O-N 2.9Å
62E82.8Confident80.8Confident113 Ų11353.9 Ų53.953%0.52827%0.269SS..Hα-helixtrans-62-46.9177.5-176.1175.2-167.100111.8P58 K59 Y64 D65 Q66P58-E62 WeakPolarHBondContact O-CB 3.41Å; P58-E62 PolarHBondContact O-N 3.21Å; K59-E62 PolarHBondContact O-N 2.71Å; E62-Y64 VanDerWaalsContact C-N 3.32Å; E62-Y64 PolarHBondContact O-N 3.1Å; E62-D65 PolarHBondContact O-N 3.02Å; E62-Q66 WeakPolarHBondContact O-CB 3.26Å; E62-Q66 WeakPolarHBondContact O-CG 3.14Å; E62-Q66 PolarHBondContact O-N 2.91Å; E62-Q66 PolarHBondContact OE1-NE2 3.13Å
63I81.6Confident79.6Confident42 Ų4258.2 Ų58.222%0.21529%0.289CS..Hα-helixtrans-60.3-43.9176.3-65.5165.7000110.6K59 K60 Q66 Y67 G71 L72 F87K59-I63 VanDerWaalsContact O-CG1 3.32Å; K59-I63 WeakPolarHBondContact O-CG1 3.23Å; K59-I63 PolarHBondContact O-N 3.48Å; K59-I63 VanDerWaalsContact O-N 3.13Å; K60-I63 PolarHBondContact O-N 2.68Å; I63-Q66 PolarHBondContact O-N 3.43Å; I63-Y67 HydrophobicContact CG2-CD2 4.44Å; I63-Y67 WeakPolarHBondContact O-CB 3.21Å; I63-Y67 PolarHBondContact O-N 3.39Å; I63-G71 WeakPolarHBondContact CG2-O 3.28Å; I63-L72 HydrophobicContact CB-CD2 4.28Å; I63-L72 HydrophobicContact CG2-CD2 4Å; I63-L72 HydrophobicContact CG2-CG 4.43Å; I63-F87 HydrophobicContact CD1-CD1 4.05Å; I63-F87 HydrophobicContact CD1-CE1 4.27Å
64Y83.9Confident78.1Confident19 Ų1957.9 Ų57.98%0.07530%0.297CS..Hα-helixtrans-64.9-40.1176.7-179.4-104.1000112.9R3 D4 Y5 Y6 V54 L55 K60 R61 E62 Q66 G68 E69 L72R3-Y64 PolarHBondContact O-OH 3.17Å; D4-Y64 VanDerWaalsContact CA-OH 3.28Å; D4-Y64 WeakPolarHBondContact CA-OH 3.38Å; Y5-Y64 HydrophobicContact CD2-CD1 4.15Å; Y5-Y64 AromaticContact CD2-CD2 3.51Å; Y5-Y64 HydrophobicContact CD2-CD2 3.51Å; Y5-Y64 AromaticContact CD2-CE1 3.83Å; Y5-Y64 HydrophobicContact CD2-CE1 3.83Å; Y5-Y64 AromaticContact CD2-CE2 3.14Å; Y5-Y64 HydrophobicContact CD2-CE2 3.14Å; Y5-Y64 HydrophobicContact CD2-CG 4Å; Y5-Y64 AromaticContact CD2-CZ 3.32Å; Y5-Y64 AromaticContact CE2-CD2 3.62Å; Y5-Y64 HydrophobicContact CE2-CD2 3.62Å; Y5-Y64 AromaticContact CE2-CE2 3.42Å; Y5-Y64 HydrophobicContact CE2-CE2 3.42Å; Y5-Y64 VanDerWaalsContact CE2-CE2 3.42Å; Y5-Y64 HydrophobicContact CE2-CG 4.42Å; Y5-Y64 HydrophobicContact CG-CE1 4.36Å; Y5-Y64 HydrophobicContact CG-CE2 4.05Å; Y5-Y64 AromaticContact CG-CZ 3.85Å; Y5-Y64 PolarHBondContact N-OH 2.92Å; Y6-Y64 AromaticContact CD2-CE1 3.94Å; Y6-Y64 HydrophobicContact CD2-CE1 3.94Å; Y6-Y64 HydrophobicContact CE2-CD1 4.08Å; Y6-Y64 AromaticContact CE2-CE1 3.79Å; Y6-Y64 HydrophobicContact CE2-CE1 3.79Å; V54-Y64 HydrophobicContact CG1-CD2 4.29Å; V54-Y64 HydrophobicContact CG1-CG 3.97Å; L55-Y64 HydrophobicContact CD2-CD1 3.86Å; L55-Y64 HydrophobicContact CD2-CE1 4.22Å; K60-Y64 VanDerWaalsContact O-CB 3.26Å; K60-Y64 WeakPolarHBondContact O-CB 3.4Å; K60-Y64 PolarHBondContact O-N 3.1Å; R61-Y64 PolarHBondContact O-N 3.01Å; E62-Y64 VanDerWaalsContact C-N 3.32Å; E62-Y64 PolarHBondContact O-N 3.1Å; Y64-Q66 VanDerWaalsContact C-N 3.28Å; Y64-Q66 PolarHBondContact O-N 3.2Å; Y64-G68 WeakPolarHBondContact O-CA 3.43Å; Y64-G68 PolarHBondContact O-N 3.21Å; Y64-E69 HydrophobicContact CE2-CB 4.44Å; Y64-L72 HydrophobicContact CD2-CD1 3.82Å; Y64-L72 HydrophobicContact CG-CD1 4.38Å
65D85.3Confident76.3Confident49 Ų4959.7 Ų59.726%0.26232%0.315SS..Hα-helixtrans-68.3-30.6-179.5-80-27.6000112.3Y6 K13 R61 E62Y6-D65 WeakPolarHBondContact CE2-OD1 3.37Å; Y6-D65 VanDerWaalsContact OH-CG 3.23Å; Y6-D65 PolarHBondContact OH-OD1 3.48Å; Y6-D65 PolarHBondContact OH-OD2 3.02Å; K13-D65 WeakPolarHBondContact CE-OD1 3.12Å; K13-D65 PolarHBondContact NZ-O 3.34Å; R61-D65 IonicContact NE-OD2 2.59Å; R61-D65 VanDerWaalsContact O-CB 3.29Å; R61-D65 WeakPolarHBondContact O-CB 3.45Å; R61-D65 VanDerWaalsContact O-CG 3.25Å; R61-D65 PolarHBondContact O-N 2.9Å; E62-D65 PolarHBondContact O-N 3.02Å
66Q79.9Confident74.2Confident111 Ų11167.2 Ų67.252%0.51936%0.356SS..Hα-helixtrans-86.3-41.4178.6-69.8-179.85.500113.6E62 I63 Y64E62-Q66 WeakPolarHBondContact O-CB 3.26Å; E62-Q66 WeakPolarHBondContact O-CG 3.14Å; E62-Q66 PolarHBondContact O-N 2.91Å; E62-Q66 PolarHBondContact OE1-NE2 3.13Å; I63-Q66 PolarHBondContact O-N 3.43Å; Y64-Q66 VanDerWaalsContact C-N 3.28Å; Y64-Q66 PolarHBondContact O-N 3.2Å
67Y77.9Confident72.2Confident103 Ų10368 Ų6840%0.40437%0.369SS..Hα-helixtrans-125.50.4-167.9-58.4-74.7000114.3I63 G71 P78I63-Y67 HydrophobicContact CG2-CD2 4.44Å; I63-Y67 WeakPolarHBondContact O-CB 3.21Å; I63-Y67 PolarHBondContact O-N 3.39Å; Y67-G71 PolarHBondContact O-N 3.39Å; Y67-P78 WeakPolarHBondContact OH-CD 3.21Å; Y67-P78 WeakPolarHBondContact OH-CG 3.47Å
68G79.3Confident70.1Confident28 Ų2869.8 Ų69.829%0.28938%0.383SS..Hα-helixtrans65.7-163.8-177.400000113.5Y64 E70 G71Y64-G68 WeakPolarHBondContact O-CA 3.43Å; Y64-G68 PolarHBondContact O-N 3.21Å; G68-E70 PolarHBondContact O-N 3.3Å; G68-G71 PolarHBondContact O-N 3.09Å
69E75.1Confident68.1Low25 Ų2568.9 Ų68.912%0.11738%0.384CS..Hα-helixtrans-59.4-31.3178.6-172.5-172.4172.400112.4G2 R3 Y64 G71 L72 K73G2-E69 WeakPolarHBondContact CA-OE2 3.39Å; R3-E69 PolarHBondContact N-OE2 2.87Å; Y64-E69 HydrophobicContact CE2-CB 4.44Å; E69-G71 VanDerWaalsContact C-N 3.33Å; E69-G71 PolarHBondContact O-N 2.81Å; E69-L72 PolarHBondContact O-N 3.03Å; E69-K73 HydrophobicContact CG-CD 4.35Å; E69-K73 PolarHBondContact O-N 3.29Å; E69-K73 WeakPolarHBondContact OE1-CE 3.45Å; E69-K73 IonicContact OE1-NZ 3.49Å; E69-K73 PolarHBondContact OE1-NZ 3.37Å
70E69.8Low66.2Low145 Ų14567.7 Ų67.768%0.67839%0.392SS*.Hα-helixtrans-68.6-30.9-178.5-67.1179.6-18000112.2G68 L72 K73 G74G68-E70 PolarHBondContact O-N 3.3Å; E70-L72 VanDerWaalsContact C-N 3.32Å; E70-L72 PolarHBondContact O-N 3.45Å; E70-K73 PolarHBondContact O-N 2.99Å; E70-G74 WeakPolarHBondContact O-CA 3.39Å; E70-G74 PolarHBondContact O-N 3.32Å
71G66.6Low64.2Low16 Ų1674 Ų7417%0.16543%0.427CS..Hα-helixtrans-74.8-17.4175.100000115.1I63 Y67 G68 E69I63-G71 WeakPolarHBondContact CG2-O 3.28Å; Y67-G71 PolarHBondContact O-N 3.39Å; G68-G71 PolarHBondContact O-N 3.09Å; E69-G71 VanDerWaalsContact C-N 3.33Å; E69-G71 PolarHBondContact O-N 2.81Å
72L65.8Low62.2Low0 Ų075.4 Ų75.40%046%0.455CS..Hα-helixtrans-82.6-36.8172.3-66.1166.9000111.1Y5 V54 K60 I63 Y64 E69 E70 Y89Y5-L72 HydrophobicContact CE2-CD1 3.94Å; V54-L72 HydrophobicContact CB-CD1 4.3Å; V54-L72 HydrophobicContact CG1-CD1 3.51Å; V54-L72 HydrophobicContact CG1-CD2 4.45Å; V54-L72 HydrophobicContact CG2-CD1 3.75Å; K60-L72 HydrophobicContact CB-CD2 4.31Å; I63-L72 HydrophobicContact CB-CD2 4.28Å; I63-L72 HydrophobicContact CG2-CD2 4Å; I63-L72 HydrophobicContact CG2-CG 4.43Å; Y64-L72 HydrophobicContact CD2-CD1 3.82Å; Y64-L72 HydrophobicContact CG-CD1 4.38Å; E69-L72 PolarHBondContact O-N 3.03Å; E70-L72 VanDerWaalsContact C-N 3.32Å; E70-L72 PolarHBondContact O-N 3.45Å; L72-Y89 HydrophobicContact CB-CD1 3.97Å; L72-Y89 HydrophobicContact CB-CG 4.45Å; L72-Y89 VanDerWaalsContact O-CB 3.3Å; L72-Y89 WeakPolarHBondContact O-CB 3.47Å; L72-Y89 PolarHBondContact O-N 3.07Å; L72-Y89 VanDerWaalsContact O-N 3.16Å
73K64Low60Low118 Ų11878.2 Ų78.251%0.51347%0.468SS..Hα-helixtrans-87.2-27.7-177.9-69.8179175.4174.40113.4E69 E70E69-K73 HydrophobicContact CG-CD 4.35Å; E69-K73 PolarHBondContact O-N 3.29Å; E69-K73 WeakPolarHBondContact OE1-CE 3.45Å; E69-K73 IonicContact OE1-NZ 3.49Å; E69-K73 PolarHBondContact OE1-NZ 3.37Å; E70-K73 PolarHBondContact O-N 2.99Å
74G52Low58Low36 Ų3680.3 Ų80.337%0.37150%0.5SS..SBendtrans-91.9112.9177.100000110.8E70 N76E70-G74 WeakPolarHBondContact O-CA 3.39Å; E70-G74 PolarHBondContact O-N 3.32Å; G74-N76 PolarHBondContact O-N 3.45Å
75G49.3Very low55.7Low37 Ų3785.5 Ų85.538%0.38153%0.534SS..SBendtrans-69.652.817700000114.4
76N43Very low53.5Low162 Ų16290.4 Ų90.487%0.86656%0.56SS**  trans-150.945.6-175.6-102.191000112.7G74G74-N76 PolarHBondContact O-N 3.45Å
77G42.3Very low51.8Low47 Ų4789.5 Ų89.549%0.48556%0.555SS.*PPolyproline II helixtrans-88.5138.2165.600000111.6
78P37.6Very low50.2Low94 Ų9488.9 Ų88.961%0.6156%0.562SS**PPolyproline II helixtrans-75.9127.5-178.231.1-31.1000110.7Y67Y67-P78 WeakPolarHBondContact OH-CD 3.21Å; Y67-P78 WeakPolarHBondContact OH-CG 3.47Å
79A43.2Very low48.6Very low76 Ų7688.2 Ų88.263%0.62855%0.551SS**PPolyproline II helixtrans-85.6131.3171.300000110D81A79-D81 PolarHBondContact O-N 3.04Å
80P41.8Very low47.5Very low129 Ų12990.5 Ų90.584%0.83857%0.567SS**SBendtrans-71.7121.915319.2-7000106.9
81D41.9Very low46.7Very low159 Ų15985.8 Ų85.885%0.8554%0.544SS*.SBendtrans80.874.9173.7-127.946.1000116.6A79 Q83A79-D81 PolarHBondContact O-N 3.04Å; D81-Q83 VanDerWaalsContact C-N 3.33Å; D81-Q83 PolarHBondContact O-N 3.03Å
82G42.3Very low46.1Very low74 Ų7492.7 Ų92.776%0.76357%0.571SS**SBend65.58.2119.500000121.1
83Q37.5Very low45.6Very low172 Ų17293.6 Ų93.680%0.80458%0.581SS**  trans-137101.7171.7-101.2135.638.700111.8D81 T85D81-Q83 VanDerWaalsContact C-N 3.33Å; D81-Q83 PolarHBondContact O-N 3.03Å; Q83-T85 PolarHBondContact O-N 2.92Å; Q83-T85 VanDerWaalsContact O-N 3.08Å
84G39.4Very low45.9Very low86 Ų8692.1 Ų92.189%0.88758%0.578SS**  trans-63.9105.3-178.300000112.5
85T35.1Very low47.1Very low128 Ų12891.3 Ų91.379%0.78557%0.567SS**  trans-113.1116152.547.60000107.3Q83 F87Q83-T85 PolarHBondContact O-N 2.92Å; Q83-T85 VanDerWaalsContact O-N 3.08Å; T85-F87 PolarHBondContact O-N 3.16Å
86N40.4Very low48.5Very low152 Ų15293.4 Ų93.481%0.81357%0.567SS**  trans-62.7101.9172.9-80.6-32.8000108.5T88N86-T88 PolarHBondContact O-N 3.25Å
87F43.5Very low50Low93 Ų9387.9 Ų87.941%0.40854%0.543SS..  trans-86.388.7174.1-164.1-94000109.2K60 I63 T85K60-F87 HydrophobicContact CD-CZ 4.41Å; K60-F87 HydrophobicContact CG-CE1 4.09Å; K60-F87 HydrophobicContact CG-CZ 3.76Å; I63-F87 HydrophobicContact CD1-CD1 4.05Å; I63-F87 HydrophobicContact CD1-CE1 4.27Å; T85-F87 PolarHBondContact O-N 3.16Å
88T43.4Very low51.6Low89 Ų8986.7 Ų86.755%0.54653%0.526SS..  trans-95.5109.6169.4-55.80000108.2N86 T90N86-T88 PolarHBondContact O-N 3.25Å; T88-T90 PolarHBondContact O-N 2.95Å
89Y47.3Very low53.6Low14 Ų1483 Ų836%0.05550%0.501CS..  trans-87104.5172.5177.8-105.4000109.7E53 V54 K60 L72 F91E53-Y89 VanDerWaalsContact CD-OH 3.3Å; E53-Y89 WeakPolarHBondContact OE1-CE2 3.14Å; E53-Y89 PolarHBondContact OE2-OH 3.32Å; V54-Y89 HydrophobicContact CG2-CE1 3.77Å; K60-Y89 HydrophobicContact CD-CD2 4.32Å; K60-Y89 HydrophobicContact CD-CE2 4.28Å; L72-Y89 HydrophobicContact CB-CD1 3.97Å; L72-Y89 HydrophobicContact CB-CG 4.45Å; L72-Y89 VanDerWaalsContact O-CB 3.3Å; L72-Y89 WeakPolarHBondContact O-CB 3.47Å; L72-Y89 PolarHBondContact O-N 3.07Å; L72-Y89 VanDerWaalsContact O-N 3.16Å; Y89-F91 HydrophobicContact CE1-CB 4.4Å; Y89-F91 WeakPolarHBondContact OH-CD2 3.4Å
90T51Low55.1Low74 Ų7481.4 Ų81.445%0.45449%0.488SS..  trans-101.5125.1160.3-610000106.7T88 H92T88-T90 PolarHBondContact O-N 2.95Å; T90-H92 VanDerWaalsContact C-N 3.32Å; T90-H92 VanDerWaalsContact CB-NE2 3.3Å; T90-H92 WeakPolarHBondContact CB-NE2 3.49Å; T90-H92 VanDerWaalsContact CG2-CE1 3.44Å; T90-H92 WeakPolarHBondContact CG2-CE1 3.23Å; T90-H92 PolarHBondContact O-CD2 3.09Å; T90-H92 PolarHBondContact O-N 3.38Å
91F54.2Low56.7Low45 Ų4581 Ų8120%0.19748%0.484CS..  trans-59.795.6172.6178.8-103.2000108.9K46 A49 E50 E53 Y89 G93 P95K46-F91 HydrophobicContact CG-CE1 4.09Å; K46-F91 HydrophobicContact CG-CZ 4.47Å; A49-F91 HydrophobicContact CB-CZ 4.48Å; E50-F91 HydrophobicContact CB-CD2 3.88Å; E50-F91 HydrophobicContact CB-CE2 3.7Å; E50-F91 HydrophobicContact CB-CZ 4.28Å; E50-F91 HydrophobicContact CG-CD2 3.76Å; E50-F91 HydrophobicContact CG-CE2 4.13Å; E50-F91 HydrophobicContact CG-CG 4.27Å; E53-F91 WeakPolarHBondContact OE2-CD2 3.3Å; Y89-F91 HydrophobicContact CE1-CB 4.4Å; Y89-F91 WeakPolarHBondContact OH-CD2 3.4Å; F91-G93 WeakPolarHBondContact CE1-O 3.39Å; F91-G93 WeakPolarHBondContact CZ-O 3.43Å; F91-P95 HydrophobicContact CE1-CG 4.38Å; F91-P95 HydrophobicContact CZ-CG 4.21Å
92H53.1Low58.3Low161 Ų16175.5 Ų75.575%0.74545%0.452SS*.  trans-101.1-4179.7-72.5-63.4000112.4T90 D94T90-H92 VanDerWaalsContact C-N 3.32Å; T90-H92 VanDerWaalsContact CB-NE2 3.3Å; T90-H92 WeakPolarHBondContact CB-NE2 3.49Å; T90-H92 VanDerWaalsContact CG2-CE1 3.44Å; T90-H92 WeakPolarHBondContact CG2-CE1 3.23Å; T90-H92 PolarHBondContact O-CD2 3.09Å; T90-H92 PolarHBondContact O-N 3.38Å; H92-D94 PolarHBondContact O-N 2.95Å
93G55.9Low60Low19 Ų1973.4 Ų73.420%0.19642%0.422CS..  trans-78.6116179.700000111.3F91 P95F91-G93 WeakPolarHBondContact CE1-O 3.39Å; F91-G93 WeakPolarHBondContact CZ-O 3.43Å; G93-P95 WeakPolarHBondContact O-CD 3.44Å
94D70.6Confident61.2Low87 Ų8768 Ų6847%0.46541%0.413SS..  trans-53.9124.3160179.5-9.7000107.8H92 H96 A97 T98H92-D94 PolarHBondContact O-N 2.95Å; D94-H96 PolarHBondContact O-N 2.78Å; D94-H96 WeakPolarHBondContact OD1-CB 3.18Å; D94-H96 IonicContact OD1-CG 3.68Å; D94-H96 PolarHBondContact OD1-N 3.2Å; D94-H96 IonicContact OD1-ND1 3.89Å; D94-H96 PolarHBondContact OD1-ND1 2.73Å; D94-A97 HydrophobicContact CB-CB 3.88Å; D94-A97 WeakPolarHBondContact O-CA 3.42Å; D94-A97 WeakPolarHBondContact O-CB 3.05Å; D94-A97 PolarHBondContact O-N 3.44Å; D94-T98 PolarHBondContact O-N 3.4Å
95P75.4Confident62Low19 Ų1967.3 Ų67.312%0.12341%0.405CS..Hα-helixtrans-49.9-31.8175.9-29.236.3000112.9F45 K46 A49 F91 G93 F99F45-P95 HydrophobicContact CD1-CB 3.7Å; F45-P95 HydrophobicContact CE1-CB 3.57Å; K46-P95 HydrophobicContact CB-CG 4.03Å; K46-P95 HydrophobicContact CG-CG 3.88Å; A49-P95 HydrophobicContact CB-CB 3.91Å; A49-P95 HydrophobicContact CB-CG 4.46Å; F91-P95 HydrophobicContact CE1-CG 4.38Å; F91-P95 HydrophobicContact CZ-CG 4.21Å; G93-P95 WeakPolarHBondContact O-CD 3.44Å; P95-F99 WeakPolarHBondContact O-CB 3.31Å; P95-F99 PolarHBondContact O-N 3.34Å
96H78.9Confident62.7Low82 Ų8265 Ų6538%0.3839%0.394SS..Hα-helixtrans-73.7-32.4175.7-56.987.6000112.7D94 A100D94-H96 PolarHBondContact O-N 2.78Å; D94-H96 WeakPolarHBondContact OD1-CB 3.18Å; D94-H96 IonicContact OD1-CG 3.68Å; D94-H96 PolarHBondContact OD1-N 3.2Å; D94-H96 IonicContact OD1-ND1 3.89Å; D94-H96 PolarHBondContact OD1-ND1 2.73Å; H96-A100 WeakPolarHBondContact O-CB 3.36Å; H96-A100 PolarHBondContact O-N 2.81Å
97A75.9Confident63.5Low46 Ų4662.6 Ų62.638%0.3838%0.381SS..Hα-helixtrans-69.6-45.1173.800000111D94 F99 A100 T101D94-A97 HydrophobicContact CB-CB 3.88Å; D94-A97 WeakPolarHBondContact O-CA 3.42Å; D94-A97 WeakPolarHBondContact O-CB 3.05Å; D94-A97 PolarHBondContact O-N 3.44Å; A97-F99 VanDerWaalsContact C-N 3.27Å; A97-F99 PolarHBondContact O-N 2.84Å; A97-A100 PolarHBondContact O-N 2.87Å; A97-A100 VanDerWaalsContact O-N 3.15Å; A97-T101 WeakPolarHBondContact O-CB 3.35Å; A97-T101 PolarHBondContact O-N 2.72Å; A97-T101 PolarHBondContact O-OG1 2.89Å; A97-T101 VanDerWaalsContact O-OG1 3.06Å
98T75.2Confident64.4Low21 Ų2159 Ų5913%0.12937%0.367CS..Hα-helixtrans-59.1-41.6174.6-540000111Y52 D94 F102Y52-T98 HydrophobicContact CD1-CG2 4.07Å; D94-T98 PolarHBondContact O-N 3.4Å; T98-F102 VanDerWaalsContact O-CB 3.23Å; T98-F102 WeakPolarHBondContact O-CB 3.31Å; T98-F102 PolarHBondContact O-N 3.46Å
99F79.4Confident65.1Low16 Ų1656.3 Ų56.37%0.0735%0.348CS..Hα-helixtrans-63.5-47.5173.4-175.3-90.4000112.2Y24 A28 L29 H32 F45 P95 A97 T101 F102 F103 P108 F109Y24-F99 PolarHBondContact OH-N 2.91Å; A28-F99 HydrophobicContact CB-CD2 4.08Å; A28-F99 HydrophobicContact CB-CE2 4.2Å; L29-F99 HydrophobicContact CD2-CE2 4.46Å; L29-F99 HydrophobicContact CD2-CZ 4.38Å; H32-F99 AromaticContact CD2-CE2 3.77Å; H32-F99 AromaticContact CD2-CZ 3.75Å; H32-F99 AromaticContact NE2-CE1 3.9Å; F45-F99 AromaticContact CE2-CD2 3.93Å; F45-F99 HydrophobicContact CE2-CD2 3.93Å; F45-F99 HydrophobicContact CE2-CE2 4.48Å; F45-F99 HydrophobicContact CZ-CB 3.95Å; F45-F99 AromaticContact CZ-CD2 3.91Å; F45-F99 HydrophobicContact CZ-CD2 3.91Å; F45-F99 HydrophobicContact CZ-CG 4.11Å; P95-F99 WeakPolarHBondContact O-CB 3.31Å; P95-F99 PolarHBondContact O-N 3.34Å; A97-F99 VanDerWaalsContact C-N 3.27Å; A97-F99 PolarHBondContact O-N 2.84Å; F99-T101 PolarHBondContact O-N 2.93Å; F99-F102 PolarHBondContact O-N 3.15Å; F99-F103 AromaticContact CD1-CD2 3.96Å; F99-F103 HydrophobicContact CD1-CD2 3.96Å; F99-F103 AromaticContact CD2-CD2 3.53Å; F99-F103 HydrophobicContact CD2-CD2 3.53Å; F99-F103 AromaticContact CD2-CE2 3.42Å; F99-F103 HydrophobicContact CD2-CE2 3.42Å; F99-F103 VanDerWaalsContact CD2-CE2 3.42Å; F99-F103 AromaticContact CE1-CD2 3.89Å; F99-F103 HydrophobicContact CE1-CD2 3.89Å; F99-F103 HydrophobicContact CE1-CE2 4.45Å; F99-F103 AromaticContact CE2-CD2 3.46Å; F99-F103 HydrophobicContact CE2-CD2 3.46Å; F99-F103 VanDerWaalsContact CE2-CD2 3.46Å; F99-F103 AromaticContact CE2-CE2 3.19Å; F99-F103 HydrophobicContact CE2-CE2 3.19Å; F99-F103 HydrophobicContact CE2-CZ 4.11Å; F99-F103 AromaticContact CG-CD2 3.8Å; F99-F103 HydrophobicContact CG-CD2 3.8Å; F99-F103 HydrophobicContact CG-CE2 4.17Å; F99-F103 AromaticContact CZ-CD2 3.65Å; F99-F103 HydrophobicContact CZ-CD2 3.65Å; F99-F103 AromaticContact CZ-CE2 3.78Å; F99-F103 HydrophobicContact CZ-CE2 3.78Å; F99-F103 HydrophobicContact CZ-CG 4.41Å; F99-F103 WeakPolarHBondContact O-CB 3.39Å; F99-F103 VanDerWaalsContact O-CD2 3.31Å; F99-F103 WeakPolarHBondContact O-CD2 3.4Å; F99-F103 PolarHBondContact O-N 2.87Å; F99-P108 HydrophobicContact CE1-CG 3.78Å; F99-P108 HydrophobicContact CE2-CG 4.38Å; F99-P108 HydrophobicContact CZ-CG 3.4Å; F99-F109 HydrophobicContact CE1-CE2 4.44Å; F99-F109 AromaticContact CZ-CE2 3.88Å; F99-F109 HydrophobicContact CZ-CE2 3.88Å; F99-F109 HydrophobicContact CZ-CZ 4.23Å
100A74.4Confident65.3Low44 Ų4463 Ų6336%0.36438%0.379SS..Hα-helixtrans-63.8-39.5-179.900000112.3H96 A97 G104 G105H96-A100 WeakPolarHBondContact O-CB 3.36Å; H96-A100 PolarHBondContact O-N 2.81Å; A97-A100 PolarHBondContact O-N 2.87Å; A97-A100 VanDerWaalsContact O-N 3.15Å; A100-G104 CarbonylContact O-C 3.56Å; A100-G104 VanDerWaalsContact O-CA 3.32Å; A100-G104 WeakPolarHBondContact O-CA 3.43Å; A100-G104 PolarHBondContact O-N 3.04Å; A100-G105 PolarHBondContact O-N 3.21Å
101T75.2Confident65.2Low121 Ų12166.6 Ų66.674%0.74239%0.393SS*.Hα-helixtrans-67.7-40.9174.5-58.60000111.2A97 F99A97-T101 WeakPolarHBondContact O-CB 3.35Å; A97-T101 PolarHBondContact O-N 2.72Å; A97-T101 PolarHBondContact O-OG1 2.89Å; A97-T101 VanDerWaalsContact O-OG1 3.06Å; F99-T101 PolarHBondContact O-N 2.93Å
102F76.5Confident64.6Low43 Ų4368.7 Ų68.719%0.18940%0.402CS..Hα-helixtrans-69.3-38179.1-175-92.1000113.3K21 Y24 R25 Y52 T98 F99K21-F102 HydrophobicContact CB-CE2 4.26Å; K21-F102 HydrophobicContact CB-CZ 4.42Å; K21-F102 HydrophobicContact CG-CE2 4.24Å; K21-F102 WeakPolarHBondContact O-CZ 3.18Å; Y24-F102 AromaticContact CD1-CD1 3.93Å; Y24-F102 HydrophobicContact CD1-CD1 3.93Å; Y24-F102 AromaticContact CD1-CD2 3.73Å; Y24-F102 HydrophobicContact CD1-CD2 3.73Å; Y24-F102 AromaticContact CD1-CE1 3.93Å; Y24-F102 HydrophobicContact CD1-CE1 3.93Å; Y24-F102 AromaticContact CD1-CE2 3.74Å; Y24-F102 HydrophobicContact CD1-CE2 3.74Å; Y24-F102 AromaticContact CD1-CG 3.82Å; Y24-F102 HydrophobicContact CD1-CG 3.82Å; Y24-F102 AromaticContact CD1-CZ 3.84Å; Y24-F102 HydrophobicContact CD1-CZ 3.84Å; Y24-F102 HydrophobicContact CE1-CB 3.83Å; Y24-F102 AromaticContact CE1-CD1 3.78Å; Y24-F102 HydrophobicContact CE1-CD1 3.78Å; Y24-F102 AromaticContact CE1-CD2 3.82Å; Y24-F102 HydrophobicContact CE1-CD2 3.82Å; Y24-F102 HydrophobicContact CE1-CE1 4.25Å; Y24-F102 HydrophobicContact CE1-CE2 4.3Å; Y24-F102 AromaticContact CE1-CG 3.53Å; Y24-F102 HydrophobicContact CE1-CG 3.53Å; Y24-F102 HydrophobicContact CE1-CZ 4.5Å; R25-F102 HydrophobicContact CB-CE1 3.86Å; R25-F102 HydrophobicContact CB-CZ 4.1Å; R25-F102 HydrophobicContact CG-CE1 4.26Å; Y52-F102 AromaticContact CE1-CD2 3.66Å; Y52-F102 HydrophobicContact CE1-CD2 3.66Å; Y52-F102 HydrophobicContact CE1-CE2 4.17Å; Y52-F102 HydrophobicContact CE2-CD2 4.28Å; Y52-F102 AromaticContact CE2-CE2 3.94Å; Y52-F102 HydrophobicContact CE2-CE2 3.94Å; Y52-F102 AromaticContact CZ-CD2 3.49Å; Y52-F102 VanDerWaalsContact CZ-CD2 3.49Å; Y52-F102 AromaticContact CZ-CE2 3.55Å; Y52-F102 VanDerWaalsContact OH-CD2 3.31Å; Y52-F102 WeakPolarHBondContact OH-CD2 3.48Å; Y52-F102 WeakPolarHBondContact OH-CE2 3.43Å; T98-F102 VanDerWaalsContact O-CB 3.23Å; T98-F102 WeakPolarHBondContact O-CB 3.31Å; T98-F102 PolarHBondContact O-N 3.46Å; F99-F102 PolarHBondContact O-N 3.15Å
103F77Confident64.5Low30 Ų3065.8 Ų65.813%0.13239%0.388CS..Hα-helixtrans-98.65.2179.7-67.9-76.7000113.7R25 A28 L29 F99 G105 S106 P108R25-F103 HydrophobicContact CB-CZ 4.43Å; R25-F103 HydrophobicContact CG-CE1 3.89Å; R25-F103 HydrophobicContact CG-CZ 3.82Å; A28-F103 HydrophobicContact CB-CE2 4.48Å; L29-F103 HydrophobicContact CD1-CZ 4.47Å; L29-F103 HydrophobicContact CD2-CZ 4.3Å; L29-F103 HydrophobicContact CG-CZ 4.1Å; F99-F103 AromaticContact CD1-CD2 3.96Å; F99-F103 HydrophobicContact CD1-CD2 3.96Å; F99-F103 AromaticContact CD2-CD2 3.53Å; F99-F103 HydrophobicContact CD2-CD2 3.53Å; F99-F103 AromaticContact CD2-CE2 3.42Å; F99-F103 HydrophobicContact CD2-CE2 3.42Å; F99-F103 VanDerWaalsContact CD2-CE2 3.42Å; F99-F103 AromaticContact CE1-CD2 3.89Å; F99-F103 HydrophobicContact CE1-CD2 3.89Å; F99-F103 HydrophobicContact CE1-CE2 4.45Å; F99-F103 AromaticContact CE2-CD2 3.46Å; F99-F103 HydrophobicContact CE2-CD2 3.46Å; F99-F103 VanDerWaalsContact CE2-CD2 3.46Å; F99-F103 AromaticContact CE2-CE2 3.19Å; F99-F103 HydrophobicContact CE2-CE2 3.19Å; F99-F103 HydrophobicContact CE2-CZ 4.11Å; F99-F103 AromaticContact CG-CD2 3.8Å; F99-F103 HydrophobicContact CG-CD2 3.8Å; F99-F103 HydrophobicContact CG-CE2 4.17Å; F99-F103 AromaticContact CZ-CD2 3.65Å; F99-F103 HydrophobicContact CZ-CD2 3.65Å; F99-F103 AromaticContact CZ-CE2 3.78Å; F99-F103 HydrophobicContact CZ-CE2 3.78Å; F99-F103 HydrophobicContact CZ-CG 4.41Å; F99-F103 WeakPolarHBondContact O-CB 3.39Å; F99-F103 VanDerWaalsContact O-CD2 3.31Å; F99-F103 WeakPolarHBondContact O-CD2 3.4Å; F99-F103 PolarHBondContact O-N 2.87Å; F103-G105 PolarHBondContact O-N 3.49Å; F103-S106 PolarHBondContact O-N 3.41Å; F103-S106 PolarHBondContact O-OG 3.37Å; F103-P108 HydrophobicContact CB-CB 4.2Å; F103-P108 HydrophobicContact CB-CG 4.07Å; F103-P108 HydrophobicContact CD1-CB 3.32Å; F103-P108 HydrophobicContact CD1-CG 3.73Å; F103-P108 HydrophobicContact CD2-CG 4.07Å; F103-P108 HydrophobicContact CE1-CB 3.68Å; F103-P108 HydrophobicContact CE1-CG 4.09Å; F103-P108 HydrophobicContact CE2-CG 4.46Å; F103-P108 HydrophobicContact CG-CB 3.8Å; F103-P108 HydrophobicContact CG-CG 3.7Å; F103-P108 HydrophobicContact CZ-CB 4.46Å; F103-P108 HydrophobicContact CZ-CG 4.44Å
104G63.9Low63.8Low59 Ų5967.6 Ų67.661%0.60841%0.406SS*.THydrogen-bonded Turntrans64.732.817400000115A100 S106A100-G104 CarbonylContact O-C 3.56Å; A100-G104 VanDerWaalsContact O-CA 3.32Å; A100-G104 WeakPolarHBondContact O-CA 3.43Å; A100-G104 PolarHBondContact O-N 3.04Å; G104-S106 PolarHBondContact O-N 3.05Å; G104-S106 PolarHBondContact O-OG 3.25Å
105G54.6Low62.3Low70 Ų7073.4 Ų73.472%0.72242%0.422SS*.THydrogen-bonded Turntrans62.74.2-178.600000115A100 F103A100-G105 PolarHBondContact O-N 3.21Å; F103-G105 PolarHBondContact O-N 3.49Å
106S51.6Low60.5Low79 Ų7982.1 Ų82.155%0.55246%0.458SS*.SBendtrans-91.3133.2176.1-7.50000107.7F103 G104 P108F103-S106 PolarHBondContact O-N 3.41Å; F103-S106 PolarHBondContact O-OG 3.37Å; G104-S106 PolarHBondContact O-N 3.05Å; G104-S106 PolarHBondContact O-OG 3.25Å; S106-P108 WeakPolarHBondContact O-CD 3.26Å
107N57.4Low58.6Low103 Ų10381.9 Ų81.955%0.55147%0.47SS*.  trans-66.5101.5-175.7-134.3-0.4000109.3F109 E110N107-F109 PolarHBondContact O-N 3.43Å; N107-E110 PolarHBondContact O-N 2.63Å
108P61Low56.7Low16 Ų1685.8 Ų85.810%0.10449%0.485CS..Hα-helixtrans-70.1-14.2-169.731.5-34.6000111.9L29 F99 F103 S106 E110 M111 F112L29-P108 HydrophobicContact CD2-CB 4.22Å; L29-P108 HydrophobicContact CD2-CG 3.89Å; F99-P108 HydrophobicContact CE1-CG 3.78Å; F99-P108 HydrophobicContact CE2-CG 4.38Å; F99-P108 HydrophobicContact CZ-CG 3.4Å; F103-P108 HydrophobicContact CB-CB 4.2Å; F103-P108 HydrophobicContact CB-CG 4.07Å; F103-P108 HydrophobicContact CD1-CB 3.32Å; F103-P108 HydrophobicContact CD1-CG 3.73Å; F103-P108 HydrophobicContact CD2-CG 4.07Å; F103-P108 HydrophobicContact CE1-CB 3.68Å; F103-P108 HydrophobicContact CE1-CG 4.09Å; F103-P108 HydrophobicContact CE2-CG 4.46Å; F103-P108 HydrophobicContact CG-CB 3.8Å; F103-P108 HydrophobicContact CG-CG 3.7Å; F103-P108 HydrophobicContact CZ-CB 4.46Å; F103-P108 HydrophobicContact CZ-CG 4.44Å; S106-P108 WeakPolarHBondContact O-CD 3.26Å; P108-E110 VanDerWaalsContact C-N 3.28Å; P108-E110 PolarHBondContact O-N 3.06Å; P108-M111 PolarHBondContact O-N 2.83Å; P108-F112 PolarHBondContact O-N 2.67Å
109F59.6Low55Low34 Ų3488.9 Ų88.915%0.14952%0.521CS..Hα-helixtrans-63.6-29.8170.2-60.1-74.6000112.5L29 H32 K35 F99 N107 F113L29-F109 HydrophobicContact CD2-CD1 4.15Å; L29-F109 HydrophobicContact CD2-CE1 3.69Å; L29-F109 HydrophobicContact CD2-CE2 4.45Å; L29-F109 HydrophobicContact CD2-CZ 3.85Å; H32-F109 HydrophobicContact CB-CE1 4.48Å; H32-F109 HydrophobicContact CB-CE2 4.48Å; H32-F109 HydrophobicContact CB-CZ 3.64Å; H32-F109 AromaticContact CG-CE2 3.97Å; H32-F109 AromaticContact CG-CZ 3.6Å; H32-F109 AromaticContact ND1-CE2 3.82Å; H32-F109 AromaticContact ND1-CZ 3.76Å; K35-F109 HydrophobicContact CB-CE1 4.44Å; F99-F109 HydrophobicContact CE1-CE2 4.44Å; F99-F109 AromaticContact CZ-CE2 3.88Å; F99-F109 HydrophobicContact CZ-CE2 3.88Å; F99-F109 HydrophobicContact CZ-CZ 4.23Å; N107-F109 PolarHBondContact O-N 3.43Å; F109-F113 HydrophobicContact CB-CD2 4.47Å; F109-F113 HydrophobicContact CD1-CD2 4.21Å; F109-F113 HydrophobicContact CD1-CE2 4.08Å; F109-F113 VanDerWaalsContact O-CB 3.27Å; F109-F113 WeakPolarHBondContact O-CB 3.42Å; F109-F113 PolarHBondContact O-N 3.26Å
110E50.3Low52.8Low153 Ų15399.7 Ų99.772%0.71556%0.561SS**Hα-helixtrans-68.5-38.7174.4-89-166.7151.500112N107 P108 G114N107-E110 PolarHBondContact O-N 2.63Å; P108-E110 VanDerWaalsContact C-N 3.28Å; P108-E110 PolarHBondContact O-N 3.06Å; E110-G114 WeakPolarHBondContact O-CA 3.06Å; E110-G114 PolarHBondContact O-N 2.85Å
111M49.1Very low50.9Low150 Ų150104.1 Ų104.174%0.73958%0.578SS**Hα-helixtrans-77-34.2-177.5-151.4175.2-163.400112.5P108P108-M111 PolarHBondContact O-N 2.83Å
112F42.5Very low49Very low90 Ų90106.4 Ų106.440%0.39559%0.586SS.*Hα-helixtrans-85.3-32.8179.1-158.9-92.2000113.3P108 F133P108-F112 PolarHBondContact O-N 2.67Å; F112-F133 HydrophobicContact CD2-CE1 4.33Å; F112-F133 HydrophobicContact CE1-CZ 4.16Å; F112-F133 AromaticContact CE2-CD1 3.85Å; F112-F133 HydrophobicContact CE2-CD1 3.85Å; F112-F133 AromaticContact CE2-CE1 3.38Å; F112-F133 HydrophobicContact CE2-CE1 3.38Å; F112-F133 AromaticContact CE2-CZ 3.78Å; F112-F133 HydrophobicContact CE2-CZ 3.78Å; F112-F133 HydrophobicContact CZ-CD1 4.17Å; F112-F133 AromaticContact CZ-CE1 3.51Å; F112-F133 HydrophobicContact CZ-CE1 3.51Å; F112-F133 AromaticContact CZ-CE2 3.92Å; F112-F133 HydrophobicContact CZ-CE2 3.92Å; F112-F133 AromaticContact CZ-CZ 3.36Å; F112-F133 HydrophobicContact CZ-CZ 3.36Å
113F49.3Very low47.1Very low99 Ų99112.8 Ų112.843%0.43462%0.617SS.*Hα-helixtrans-107.6-11.6-178.1-66.4-85.3000114.5F109 R115F109-F113 HydrophobicContact CB-CD2 4.47Å; F109-F113 HydrophobicContact CD1-CD2 4.21Å; F109-F113 HydrophobicContact CD1-CE2 4.08Å; F109-F113 VanDerWaalsContact O-CB 3.27Å; F109-F113 WeakPolarHBondContact O-CB 3.42Å; F109-F113 PolarHBondContact O-N 3.26Å; F113-R115 VanDerWaalsContact C-N 3.26Å; F113-R115 PolarHBondContact O-N 2.67Å
114G41.2Very low45.2Very low57 Ų57118.6 Ų118.659%0.58865%0.649SS**THydrogen-bonded Turntrans-71.7-16.517100000113.9E110E110-G114 WeakPolarHBondContact O-CA 3.06Å; E110-G114 PolarHBondContact O-N 2.85Å
115R39.5Very low44.1Very low209 Ų209123.1 Ų123.179%0.78966%0.656SS**THydrogen-bonded Turntrans-86.9-1.6178.1-148.8179.4-173.3-168.80.8114.4F113F113-R115 VanDerWaalsContact C-N 3.26Å; F113-R115 PolarHBondContact O-N 2.67Å
116K38.1Very low43.1Very low202 Ų202129.6 Ų129.688%0.87867%0.668SS**SBendtrans-106.742.6178.2-145.3-179.2-172.8179.30113
117A38.9Very low42.5Very low78 Ų78130.6 Ų130.665%0.64567%0.671SS**SBendtrans-143.819.6178.500000115.1
118N36.7Very low41.3Very low128 Ų128133.4 Ų133.468%0.68469%0.685SS**  trans-149.6101163.6-91.8-24.5000108.5R120 K206N118-R120 PolarHBondContact O-N 3.22Å; N118-K206 PolarHBondContact OD1-NZ 3.11Å
119G38.8Very low40.3Very low86 Ų86136 Ų13689%0.88772%0.715SS**  trans-68.9122.4164.400000109.6
120R33.2Very low39.4Very low242 Ų242141.4 Ų141.491%0.91375%0.745SS**  trans-162.7139.7134.7-135.9172.6174.2124.5-1.2109.6N118N118-R120 PolarHBondContact O-N 3.22Å
121D35.2Very low38.9Very low137 Ų137138 Ų13873%0.73373%0.732SS**  trans-53.1143.6-175.2-60.1-60.8000114.1
122D34.8Very low38.8Very low170 Ų170136.3 Ų136.391%0.90973%0.732SS**  trans-129.7111.1133.8-88.9-45.1000105.9D124D122-D124 PolarHBondContact O-N 3.1Å
123E37Very low39.1Very low176 Ų176134.3 Ų134.382%0.82272%0.723SS**  trans-63.7110166.2-74.4178148.300108.4
124D36.8Very low38.8Very low153 Ų153130.9 Ų130.982%0.81872%0.716SS**  trans155.778.2134.3-83.2-10.9000109.7D122D122-D124 PolarHBondContact O-N 3.1Å
125M40.1Very low38.9Very low153 Ų153132.1 Ų132.175%0.75472%0.716SS**  trans-141.285.1158.7-92.1-83.1-136.200105.5V127M125-V127 HydrophobicContact CB-CG2 4.28Å; M125-V127 PolarHBondContact O-N 2.94Å; M125-V127 HydrophobicContact SD-CG2 4.5Å
126E33.5Very low38.9Very low206 Ų206126.4 Ų126.496%0.96370%0.697SS**  trans-60.386.8162.3-80.1-176.5146.900108
127V40.1Very low38.8Very low101 Ų101121.2 Ų121.261%0.61268%0.682SS**  trans-94.1104.1169.2171.10000106.5M125 G129M125-V127 HydrophobicContact CB-CG2 4.28Å; M125-V127 PolarHBondContact O-N 2.94Å; M125-V127 HydrophobicContact SD-CG2 4.5Å; V127-G129 PolarHBondContact O-N 2.89Å
128D30.9Very low38.7Very low161 Ų161123.1 Ų123.186%0.86169%0.686SS**  trans-48.3129.3169.3-154.3-9.1000110N130D128-N130 PolarHBondContact O-N 3.39Å
129G40.2Very low38.5Very low70 Ų70124 Ų12472%0.72268%0.684SS**THydrogen-bonded Turntrans-76.388.3-159.700000112.9V127V127-G129 PolarHBondContact O-N 2.89Å
130N40.6Very low38.2Very low148 Ų148127.3 Ų127.379%0.79168%0.681SS**THydrogen-bonded Turntrans-162.311.9150.8-145.813.6000119.4D128D128-N130 PolarHBondContact O-N 3.39Å
131D40.9Very low38.3Very low81 Ų81120.9 Ų120.943%0.43366%0.664SS.*  trans-146.594.9179.8-120.7-31.2000115.5K26 F133 G134K26-D131 IonicContact NZ-OD1 2.65Å; D131-F133 PolarHBondContact O-N 3.29Å; D131-G134 PolarHBondContact O-N 3.44Å; D131-G134 VanDerWaalsContact O-N 3.09Å
132P47.2Very low38.4Very low115 Ų115120.7 Ų120.775%0.74766%0.664SS**THydrogen-bonded Turntrans-69.85178.627.4-32.7000114.2
133F47.2Very low38.4Very low48 Ų48115.8 Ų115.821%0.21165%0.653CS.*THydrogen-bonded Turntrans-108.6-1174.6-80.6-93.3000113.5K26 F112 D131 S135K26-F133 HydrophobicContact CB-CE1 4.43Å; K26-F133 HydrophobicContact CD-CD2 4.18Å; K26-F133 HydrophobicContact CD-CE2 4.41Å; K26-F133 HydrophobicContact CD-CG 4.42Å; K26-F133 HydrophobicContact CG-CD2 4.24Å; K26-F133 HydrophobicContact CG-CE1 4.31Å; K26-F133 HydrophobicContact CG-CE2 4.03Å; K26-F133 HydrophobicContact CG-CG 4.48Å; K26-F133 HydrophobicContact CG-CZ 4.06Å; F112-F133 HydrophobicContact CD2-CE1 4.33Å; F112-F133 HydrophobicContact CE1-CZ 4.16Å; F112-F133 AromaticContact CE2-CD1 3.85Å; F112-F133 HydrophobicContact CE2-CD1 3.85Å; F112-F133 AromaticContact CE2-CE1 3.38Å; F112-F133 HydrophobicContact CE2-CE1 3.38Å; F112-F133 AromaticContact CE2-CZ 3.78Å; F112-F133 HydrophobicContact CE2-CZ 3.78Å; F112-F133 HydrophobicContact CZ-CD1 4.17Å; F112-F133 AromaticContact CZ-CE1 3.51Å; F112-F133 HydrophobicContact CZ-CE1 3.51Å; F112-F133 AromaticContact CZ-CE2 3.92Å; F112-F133 HydrophobicContact CZ-CE2 3.92Å; F112-F133 AromaticContact CZ-CZ 3.36Å; F112-F133 HydrophobicContact CZ-CZ 3.36Å; D131-F133 PolarHBondContact O-N 3.29Å; F133-S135 VanDerWaalsContact C-N 3.3Å; F133-S135 PolarHBondContact O-N 3.01Å
134G43.1Very low38.4Very low27 Ų27115.6 Ų115.628%0.27865%0.65SS.*G310 helixtrans-69.6-22.8177.400000114.1D131 F136 T137D131-G134 PolarHBondContact O-N 3.44Å; D131-G134 VanDerWaalsContact O-N 3.09Å; G134-F136 PolarHBondContact O-N 2.99Å; G134-T137 PolarHBondContact O-N 3.28Å; G134-T137 PolarHBondContact O-OG1 3.49Å
135S43.8Very low38.6Very low83 Ų83114.3 Ų114.358%0.5865%0.65SS**G310 helixtrans-71.80.6-177.8-171.40000114.7F133F133-S135 VanDerWaalsContact C-N 3.3Å; F133-S135 PolarHBondContact O-N 3.01Å
136F39Very low38.6Very low89 Ų89118.5 Ų118.539%0.3966%0.658SS.*G310 helixtrans-99.4-15174.2-161.8-81.7000113.1G134 T138 F139G134-F136 PolarHBondContact O-N 2.99Å; F136-T138 PolarHBondContact O-N 2.86Å; F136-T138 VanDerWaalsContact O-N 3.1Å; F136-F139 HydrophobicContact CD2-CD2 4.49Å; F136-F139 HydrophobicContact CE1-CB 4.34Å; F136-F139 HydrophobicContact CE1-CD2 4.5Å; F136-F139 HydrophobicContact CE2-CD2 4.37Å; F136-F139 HydrophobicContact CZ-CD2 4.38Å; F136-F139 PolarHBondContact O-N 2.68Å
137T37.6Very low39Very low94 Ų94118.3 Ų118.358%0.57766%0.657SS**THydrogen-bonded Turntrans-73.2-0.5-175.747.20000114.3G134 F139G134-T137 PolarHBondContact O-N 3.28Å; G134-T137 PolarHBondContact O-OG1 3.49Å; T137-F139 VanDerWaalsContact C-N 3.33Å
138T35.6Very low38.9Very low118 Ų118116.6 Ų116.672%0.72466%0.659SS**THydrogen-bonded Turntrans-84-5.2172.5-38.20000113.2F136 N140F136-T138 PolarHBondContact O-N 2.86Å; F136-T138 VanDerWaalsContact O-N 3.1Å; T138-N140 PolarHBondContact O-N 3.39Å
139F32.1Very low39.6Very low146 Ų146119 Ų11964%0.6467%0.665SS**SBendtrans-88.788.4166.6-68.1-76.2000109.9F136 T137 L141F136-F139 HydrophobicContact CD2-CD2 4.49Å; F136-F139 HydrophobicContact CE1-CB 4.34Å; F136-F139 HydrophobicContact CE1-CD2 4.5Å; F136-F139 HydrophobicContact CE2-CD2 4.37Å; F136-F139 HydrophobicContact CZ-CD2 4.38Å; F136-F139 PolarHBondContact O-N 2.68Å; T137-F139 VanDerWaalsContact C-N 3.33Å; F139-L141 PolarHBondContact O-N 2.99Å
140N32.8Very low39.5Very low155 Ų155118.8 Ų118.883%0.82966%0.662SS**  trans-21.2108.7164.8-129.2-12.2000113.3T138T138-N140 PolarHBondContact O-N 3.39Å
141L35.6Very low39.6Very low107 Ų107115.8 Ų115.856%0.5667%0.667SS**  trans-111.336.1173.3-160.375.1000111.6K21 F139 G143K21-L141 HydrophobicContact CD-CD2 4.07Å; F139-L141 PolarHBondContact O-N 2.99Å; L141-G143 PolarHBondContact O-N 3.27Å
142N38.5Very low40.1Very low134 Ų134120.8 Ų120.872%0.71769%0.688SS**  trans-93.486.6162.6-107.767.9000109.7
143G33.6Very low40.6Very low67 Ų67123.8 Ų123.869%0.69169%0.691SS**  trans-13652.1-179.900000112.8L141L141-G143 PolarHBondContact O-N 3.27Å
144F37Very low41.2Very low171 Ų171133.2 Ų133.275%0.7573%0.726SS**  trans-68.9125.1155.1-74.8-82.2000107.9R146F144-R146 PolarHBondContact O-N 3.25Å
145P42.1Very low42.5Very low127 Ų127139.9 Ų139.983%0.82574%0.743SS**  trans-72.6104.1175.727.4-26.3000108E147P145-E147 PolarHBondContact O-N 3.33Å
146R40.2Very low44.3Very low241 Ų241143.8 Ų143.891%0.90975%0.749SS**  trans-69120.7161.3-164.2176178139.4-0.7106.9F144 G148F144-R146 PolarHBondContact O-N 3.25Å; R146-G148 PolarHBondContact O-N 3.14Å
147E41.8Very low46.5Very low202 Ų202143.2 Ų143.294%0.94475%0.748SS**  trans-48.8112.5172.8-156.2138.2136.200109.9P145P145-E147 PolarHBondContact O-N 3.33Å
148G36.4Very low48.7Very low65 Ų65142.3 Ų142.367%0.6774%0.739SS**  trans-157.1104.6-175.700000109.4R146 G150R146-G148 PolarHBondContact O-N 3.14Å; G148-G150 PolarHBondContact O-N 3.44Å
149H46.2Very low51.3Low212 Ų212141.6 Ų141.698%0.98174%0.736SS**  trans-50.9119172.9-77.6-58.8000111.9
150G38.4Very low54.2Low64 Ų64138 Ų13866%0.6673%0.728SS**  trans160.280.9171.700000112.3G148 Q152G148-G150 PolarHBondContact O-N 3.44Å; G150-Q152 PolarHBondContact O-N 3.47Å
151G41.8Very low57.1Low86 Ų86134 Ų13489%0.88771%0.705SS**  trans-65.188.9175.300000111.9Q153G151-Q153 PolarHBondContact O-N 3.03Å; G151-Q153 VanDerWaalsContact O-N 3.16Å
152Q51.7Low59.9Low186 Ų186134.2 Ų134.287%0.86971%0.706SS**  trans-70.4104.7160.4-80.4-175.93.500107.7G150 R154G150-Q152 PolarHBondContact O-N 3.47Å; Q152-R154 PolarHBondContact O-N 2.79Å
153Q57.9Low62.7Low177 Ų177131.6 Ų131.683%0.82769%0.689SS**  trans-53.6109167.1-89176-11.800108.6G151 R155G151-Q153 PolarHBondContact O-N 3.03Å; G151-Q153 VanDerWaalsContact O-N 3.16Å; Q153-R155 PolarHBondContact O-N 3.24Å
154R60.7Low65.7Low246 Ų246134 Ų13493%0.92868%0.683SS**  trans-56.1111.7166.9-89.2178.3159.6-178.4-5.1107.3Q152 K156Q152-R154 PolarHBondContact O-N 2.79Å; R154-K156 PolarHBondContact O-N 3.27Å; R154-K156 VanDerWaalsContact O-N 3.17Å
155R70.8Confident68.6Low168 Ų168126 Ų12663%0.63465%0.648SS**PPolyproline II helixtrans-56.7121.4175.4-66.7-178.3177.1-177.6-2.6108.2Q153 I228Q153-R155 PolarHBondContact O-N 3.24Å; R155-I228 HydrophobicContact CB-CD1 4.16Å; R155-I228 HydrophobicContact CB-CG1 3.95Å
156K80.6Confident71.1Confident165 Ų165127.8 Ų127.872%0.71764%0.638SS**PPolyproline II helixtrans-77.6139.5178.7-172.2176.4175.8-175.70108.7R154 T227 I228R154-K156 PolarHBondContact O-N 3.27Å; R154-K156 VanDerWaalsContact O-N 3.17Å; K156-T227 VanDerWaalsContact O-CG2 3.27Å; K156-T227 WeakPolarHBondContact O-CG2 3.2Å; K156-I228 PolarHBondContact O-N 3.45Å; K156-I228 VanDerWaalsContact O-N 3.12Å
157Q84.6Confident73.8Confident77 Ų77116.3 Ų116.336%0.3660%0.595SS.*BIsolated β-bridgetrans-92.6135.7169.9-169.4173.88.800109I228 P229 D231Q157-I228 HydrophobicContact CB-CB 3.95Å; Q157-I228 HydrophobicContact CB-CG2 4.27Å; Q157-I228 HydrophobicContact CG-CB 4.01Å; Q157-I228 HydrophobicContact CG-CG2 3.9Å; Q157-P229 PolarHBondContact NE2-O 2.81Å; Q157-D231 PolarHBondContact NE2-OD1 2.92Å
158D85.5Confident76.5Confident74 Ų74108.2 Ų108.240%0.39656%0.559SS.*PPolyproline II helixtrans-69.5154.3175.1-78-18000111.4T227 A230D158-T227 HydrophobicContact CB-CG2 4.42Å; D158-T227 WeakPolarHBondContact OD1-CG2 3.17Å; D158-T227 WeakPolarHBondContact OD2-CG2 3.45Å; D158-A230 HydrophobicContact CB-CB 4.04Å
159P89.8Confident79.3Confident103 Ų103105.3 Ų105.367%0.66953%0.528SS*.PPolyproline II helixtrans-60.4150.8179.225.7-34.8000111.8A230P159-A230 WeakPolarHBondContact O-CB 3.2Å
160P92.6Very high81.7Confident71 Ų7198 Ų9846%0.46149%0.494SS..PPolyproline II helixtrans-62.1138.7-178.7-21.532.2000113.1D231 V233P160-D231 CarbonylContact C-O 3.44Å; P160-D231 VanDerWaalsContact CA-O 3.3Å; P160-D231 WeakPolarHBondContact CA-O 3.38Å; P160-D231 HydrophobicContact CB-CB 4.29Å; P160-V233 HydrophobicContact CB-CG2 3.77Å
161I93.9Very high84.5Confident70 Ų7097.3 Ų97.336%0.35947%0.474SS..EExtended strand (participates in β ladder)trans-83.1119.5172.3-58170.3000107.9A230 D231 I232 V233I161-A230 HydrophobicContact CD1-CB 4.22Å; I161-A230 HydrophobicContact CG1-CB 4.11Å; I161-D231 PolarHBondContact N-O 3.21Å; I161-I232 HydrophobicContact CB-CG1 4.41Å; I161-I232 CarbonylContact O-C 3.5Å; I161-I232 WeakPolarHBondContact O-CA 3.36Å; I161-V233 PolarHBondContact O-N 3.22Å
162I95.1Very high87.1Confident112 Ų11293.2 Ų93.257%0.57443%0.432SS*.EExtended strand (participates in β ladder)trans-103.6127.9-174.1-54.7178.9000110.5V233 V235I162-V233 CarbonylContact C-O 3.59Å; I162-V233 WeakPolarHBondContact CA-O 3.49Å; I162-V233 HydrophobicContact CG1-CB 4.48Å; I162-V235 HydrophobicContact CG2-CG2 3.58Å
163H95.8Very high89.2Confident79 Ų7985.7 Ų85.737%0.36640%0.396SS..EExtended strand (participates in β ladder)trans-119.8135.4173.4-66.9-59.5000111.5V233 F234 V235H163-V233 PolarHBondContact N-O 2.86Å; H163-F234 HydrophobicContact CB-CD1 3.67Å; H163-F234 HydrophobicContact CB-CE1 3.69Å; H163-F234 HydrophobicContact CB-CG 4.48Å; H163-F234 CarbonylContact O-C 3.58Å; H163-F234 VanDerWaalsContact O-CA 3.27Å; H163-F234 WeakPolarHBondContact O-CA 3.43Å; H163-V235 PolarHBondContact O-N 3.1Å
164E97.1Very high91Very high117 Ų11783.8 Ų83.855%0.54739%0.388SS..EExtended strand (participates in β ladder)trans-80124.2171.5-63.3-169.7159.300110.5K237E164-K237 HydrophobicContact CB-CG 4.22Å; E164-K237 HydrophobicContact CG-CG 4.22Å
165L97Very high92.6Very high5 Ų573.2 Ų73.23%0.02636%0.355CS..EExtended strand (participates in β ladder)trans-102.3103.8172.5-173.865.5000108.8V167 K178 M180 I203 I205 F234 V235 K237L165-V167 HydrophobicContact CD2-CG2 4.46Å; L165-V167 HydrophobicContact CG-CG2 4.14Å; L165-K178 HydrophobicContact CD1-CD 3.72Å; L165-K178 HydrophobicContact CD2-CD 4.24Å; L165-K178 HydrophobicContact CG-CD 4.09Å; L165-M180 HydrophobicContact CD1-CE 4.37Å; L165-M180 HydrophobicContact CD1-CG 4.27Å; L165-M180 HydrophobicContact CD1-SD 3.82Å; L165-I203 HydrophobicContact CD2-CB 4.38Å; L165-I203 HydrophobicContact CD2-CD1 3.75Å; L165-I203 HydrophobicContact CD2-CG2 3.86Å; L165-I205 HydrophobicContact CD2-CD1 3.96Å; L165-F234 HydrophobicContact CB-CB 4.38Å; L165-F234 HydrophobicContact CB-CD1 4.41Å; L165-V235 PolarHBondContact N-O 3.25Å; L165-K237 PolarHBondContact O-N 2.93Å
166R96.5Very high93.8Very high164 Ų16466.7 Ų66.762%0.61934%0.335SS*.EExtended strand (participates in β ladder)trans-79.4125.9177.6-66.6-174.3-178.8177.40.1111.1K237R166-K237 CarbonylContact C-O 3.59Å; R166-K237 VanDerWaalsContact CA-O 3.29Å; R166-K237 WeakPolarHBondContact CA-O 3.31Å; R166-K237 HydrophobicContact CG-CB 4.34Å
167V96.7Very high94.6Very high0 Ų062.8 Ų62.80%033%0.325CS..EExtended strand (participates in β ladder)trans-129.5136.9-173.2-169.70000109.1L165 E171 V172 I205 I236 K237 K239L165-V167 HydrophobicContact CD2-CG2 4.46Å; L165-V167 HydrophobicContact CG-CG2 4.14Å; V167-E171 WeakPolarHBondContact CA-OE2 3.3Å; V167-E171 HydrophobicContact CG1-CB 3.5Å; V167-E171 VanDerWaalsContact CG1-CB 3.5Å; V167-E171 HydrophobicContact CG1-CG 4.47Å; V167-E171 WeakPolarHBondContact CG1-OE2 3.5Å; V167-V172 HydrophobicContact CB-CG2 4.34Å; V167-V172 HydrophobicContact CG1-CG2 3.76Å; V167-I205 HydrophobicContact CB-CD1 4.4Å; V167-I205 HydrophobicContact CG1-CD1 3.87Å; V167-I205 HydrophobicContact CG1-CG2 4.41Å; V167-I205 HydrophobicContact CG2-CD1 3.53Å; V167-I236 HydrophobicContact CG2-CG1 4.48Å; V167-I236 HydrophobicContact CG2-CG2 4.04Å; V167-K237 PolarHBondContact N-O 3.28Å; V167-K239 PolarHBondContact O-N 3.03Å
168T97.2Very high95.1Very high32 Ų3261.2 Ų61.220%0.19632%0.317CS..  trans-78.2162.217784.50000111.6E170 E171 V172 K239T168-E170 VanDerWaalsContact C-N 3.26Å; T168-E170 WeakPolarHBondContact CB-OE2 3.17Å; T168-E170 PolarHBondContact O-N 2.94Å; T168-E170 PolarHBondContact OG1-N 3.44Å; T168-E170 PolarHBondContact OG1-OE2 2.85Å; T168-E171 PolarHBondContact N-OE2 3.49Å; T168-E171 WeakPolarHBondContact O-CB 3.34Å; T168-E171 PolarHBondContact O-N 2.69Å; T168-E171 WeakPolarHBondContact OG1-CG 3.4Å; T168-E171 PolarHBondContact OG1-N 3.28Å; T168-V172 WeakPolarHBondContact O-CG2 3.2Å; T168-V172 PolarHBondContact O-N 3.02Å; T168-K239 HydrophobicContact CG2-CB 4.43Å; T168-K239 HydrophobicContact CG2-CD 3.92Å
169L96.7Very high95.6Very high3 Ų365 Ų652%0.01633%0.33CS..Hα-helixtrans-66.7-30.9178.4-62.2-179.9000111.8V172 F173 H241 F244 R246 I251 I273 L299L169-V172 PolarHBondContact O-N 3.18Å; L169-F173 VanDerWaalsContact O-CB 3.26Å; L169-F173 WeakPolarHBondContact O-CB 3.45Å; L169-F173 PolarHBondContact O-N 2.98Å; L169-H241 HydrophobicContact CD1-CB 3.9Å; L169-H241 HydrophobicContact CG-CB 4.43Å; L169-F244 HydrophobicContact CD1-CB 3.73Å; L169-R246 HydrophobicContact CD2-CB 3.96Å; L169-R246 HydrophobicContact CD2-CG 4.32Å; L169-I251 HydrophobicContact CD1-CG2 4.05Å; L169-I273 HydrophobicContact CB-CD1 3.77Å; L169-I273 HydrophobicContact CB-CG1 4.5Å; L169-L299 HydrophobicContact CD2-CD1 4.41Å
170E96.1Very high95.9Very high58 Ų5863 Ų6327%0.27131%0.313SS..Hα-helixtrans-66.9-42.2173.7-56.273.1-159.700111.1T168 V172 F173 Q174 H241 I273T168-E170 VanDerWaalsContact C-N 3.26Å; T168-E170 WeakPolarHBondContact CB-OE2 3.17Å; T168-E170 PolarHBondContact O-N 2.94Å; T168-E170 PolarHBondContact OG1-N 3.44Å; T168-E170 PolarHBondContact OG1-OE2 2.85Å; E170-V172 VanDerWaalsContact C-N 3.34Å; E170-V172 PolarHBondContact O-N 2.84Å; E170-F173 WeakPolarHBondContact O-CB 3.31Å; E170-F173 PolarHBondContact O-N 3.48Å; E170-F173 VanDerWaalsContact O-N 3.15Å; E170-Q174 PolarHBondContact O-N 3.3Å; E170-H241 IonicContact OE1-CD2 3.45Å; E170-H241 PolarHBondContact OE1-CD2 3.27Å; E170-H241 IonicContact OE1-NE2 2.66Å; E170-H241 PolarHBondContact OE1-NE2 2.89Å; E170-I273 HydrophobicContact CG-CD1 3.95Å; E170-I273 WeakPolarHBondContact OE1-CD1 3.33Å
171E96.7Very high96Very high51 Ų5166.2 Ų66.224%0.23832%0.319CS..Hα-helixtrans-62.6-40.5174.6-73.8179.1144.800111.3V167 T168 F173 G175 C176 K178V167-E171 WeakPolarHBondContact CA-OE2 3.3Å; V167-E171 HydrophobicContact CG1-CB 3.5Å; V167-E171 VanDerWaalsContact CG1-CB 3.5Å; V167-E171 HydrophobicContact CG1-CG 4.47Å; V167-E171 WeakPolarHBondContact CG1-OE2 3.5Å; T168-E171 PolarHBondContact N-OE2 3.49Å; T168-E171 WeakPolarHBondContact O-CB 3.34Å; T168-E171 PolarHBondContact O-N 2.69Å; T168-E171 WeakPolarHBondContact OG1-CG 3.4Å; T168-E171 PolarHBondContact OG1-N 3.28Å; E171-F173 VanDerWaalsContact C-N 3.33Å; E171-G175 CarbonylContact O-C 3.59Å; E171-G175 WeakPolarHBondContact O-CA 3.14Å; E171-G175 PolarHBondContact O-N 3.35Å; E171-C176 HydrophobicContact CB-CB 4.5Å; E171-C176 HydrophobicContact CG-CB 4.49Å; E171-K178 IonicContact OE1-NZ 3.86Å; E171-K178 PolarHBondContact OE1-NZ 3.29Å; E171-K178 VanDerWaalsContact OE2-CE 3.25Å; E171-K178 WeakPolarHBondContact OE2-CE 3.5Å; E171-K178 IonicContact OE2-NZ 2.72Å; E171-K178 PolarHBondContact OE2-NZ 3.06Å
172V95.8Very high96Very high0 Ų063.6 Ų63.60%031%0.306CS..Hα-helixtrans-68.8-32.7173.5175.90000111.7V167 T168 L169 E170 R207 G208 W209 L299V167-V172 HydrophobicContact CB-CG2 4.34Å; V167-V172 HydrophobicContact CG1-CG2 3.76Å; T168-V172 WeakPolarHBondContact O-CG2 3.2Å; T168-V172 PolarHBondContact O-N 3.02Å; L169-V172 PolarHBondContact O-N 3.18Å; E170-V172 VanDerWaalsContact C-N 3.34Å; E170-V172 PolarHBondContact O-N 2.84Å; V172-R207 WeakPolarHBondContact O-CA 3.3Å; V172-G208 PolarHBondContact O-N 3Å; V172-W209 WeakPolarHBondContact CG1-O 3.45Å; V172-L299 HydrophobicContact CG1-CD1 4.39Å
173F96.4Very high95.9Very high27 Ų2762 Ų6212%0.11830%0.304CS..Hα-helixtrans-68.5-46.3179.2178.3-100000112.3L169 E170 E171 R207 I273 D274 L299 P300L169-F173 VanDerWaalsContact O-CB 3.26Å; L169-F173 WeakPolarHBondContact O-CB 3.45Å; L169-F173 PolarHBondContact O-N 2.98Å; E170-F173 WeakPolarHBondContact O-CB 3.31Å; E170-F173 PolarHBondContact O-N 3.48Å; E170-F173 VanDerWaalsContact O-N 3.15Å; E171-F173 VanDerWaalsContact C-N 3.33Å; F173-R207 PolarHBondContact O-NE 3.39Å; F173-I273 HydrophobicContact CB-CG1 4.19Å; F173-I273 HydrophobicContact CD2-CG2 3.46Å; F173-I273 VanDerWaalsContact CD2-CG2 3.46Å; F173-I273 HydrophobicContact CE2-CG2 3.8Å; F173-I273 HydrophobicContact CG-CG1 4.37Å; F173-I273 HydrophobicContact CG-CG2 3.94Å; F173-I273 HydrophobicContact CZ-CG2 4.46Å; F173-D274 HydrophobicContact CE1-CB 3.83Å; F173-D274 HydrophobicContact CZ-CB 3.78Å; F173-L299 HydrophobicContact CB-CD2 4.07Å; F173-L299 HydrophobicContact CD2-CD2 4.41Å; F173-P300 HydrophobicContact CD2-CG 4.15Å; F173-P300 HydrophobicContact CE2-CG 4.41Å
174Q95.3Very high95.8Very high138 Ų13859.6 Ų59.665%0.64529%0.292SS*.Hα-helixtrans-90.2-24.7-176.7-59.6-177.6-5.800112.9E170 R207E170-Q174 PolarHBondContact O-N 3.3Å; Q174-R207 WeakPolarHBondContact O-CD 3.26Å; Q174-R207 WeakPolarHBondContact O-CG 3.29Å
175G95.1Very high95.5Very high24 Ų2459 Ų5925%0.24729%0.288CS..  trans79148.5-163.700000110.3E171 I205E171-G175 CarbonylContact O-C 3.59Å; E171-G175 WeakPolarHBondContact O-CA 3.14Å; E171-G175 PolarHBondContact O-N 3.35Å; G175-I205 CarbonylContact C-O 3.48Å; G175-I205 WeakPolarHBondContact CA-O 3.46Å
176C96.1Very high95.3Very high31 Ų3159.9 Ų59.921%0.20929%0.291CS..EExtended strand (participates in β ladder)trans-155.7165.4177.474.20000112E171 I205E171-C176 HydrophobicContact CB-CB 4.5Å; E171-C176 HydrophobicContact CG-CB 4.49Å; C176-I205 PolarHBondContact N-O 2.96Å; C176-I205 WeakPolarHBondContact O-CA 3.33Å; C176-I205 WeakPolarHBondContact O-CB 3.35Å; C176-I205 PolarHBondContact O-N 2.77Å
177T96.7Very high95Very high82 Ų8254.1 Ų54.150%0.50327%0.272SS..EExtended strand (participates in β ladder)trans-112.3120.8173.8-57.20000109.3T202 I203 E204T177-T202 HydrophobicContact CG2-CG2 3.3Å; T177-I203 CarbonylContact C-O 3.36Å; T177-I203 WeakPolarHBondContact CA-O 3.4Å; T177-E204 HydrophobicContact CG2-CG 4.31Å
178K95.6Very high94.7Very high44 Ų4455.9 Ų55.919%0.19128%0.281CS..EExtended strand (participates in β ladder)trans-106.6134.3174.8-70.2-172.8-173.8-75.40110.1L165 E171 I203 I205L165-K178 HydrophobicContact CD1-CD 3.72Å; L165-K178 HydrophobicContact CD2-CD 4.24Å; L165-K178 HydrophobicContact CG-CD 4.09Å; E171-K178 IonicContact OE1-NZ 3.86Å; E171-K178 PolarHBondContact OE1-NZ 3.29Å; E171-K178 VanDerWaalsContact OE2-CE 3.25Å; E171-K178 WeakPolarHBondContact OE2-CE 3.5Å; E171-K178 IonicContact OE2-NZ 2.72Å; E171-K178 PolarHBondContact OE2-NZ 3.06Å; K178-I203 PolarHBondContact N-O 2.8Å; K178-I203 PolarHBondContact O-N 3.2Å; K178-I205 HydrophobicContact CD-CD1 3.9Å; K178-I205 HydrophobicContact CG-CD1 4.14Å
179K96.4Very high94.2Very high154 Ų15460.7 Ų60.767%0.6731%0.313SS*.EExtended strand (participates in β ladder)trans-105.6118.9175.9-69.2-176.7-178.6-178.60109I200 L201 T202K179-I200 HydrophobicContact CB-CG2 3.75Å; K179-I200 HydrophobicContact CD-CG2 4.3Å; K179-I200 HydrophobicContact CG-CG2 4.19Å; K179-L201 CarbonylContact C-O 3.43Å; K179-L201 WeakPolarHBondContact CA-O 3.48Å; K179-T202 HydrophobicContact CG-CG2 4.45Å
180M95.1Very high93.7Very high62 Ų6264.6 Ų64.631%0.30533%0.334SS..EExtended strand (participates in β ladder)trans-110.7118.2-178.8-61.6-57.1-68.100109.1L165 L201 I203 F234L165-M180 HydrophobicContact CD1-CE 4.37Å; L165-M180 HydrophobicContact CD1-CG 4.27Å; L165-M180 HydrophobicContact CD1-SD 3.82Å; M180-L201 PolarHBondContact N-O 3Å; M180-L201 PolarHBondContact O-N 3.16Å; M180-I203 HydrophobicContact CG-CD1 3.72Å; M180-F234 HydrophobicContact CB-CE1 4Å; M180-F234 HydrophobicContact CB-CZ 3.78Å; M180-F234 HydrophobicContact CE-CE1 4.06Å; M180-F234 HydrophobicContact CG-CD1 4.43Å; M180-F234 HydrophobicContact CG-CE1 3.81Å; M180-F234 HydrophobicContact CG-CZ 4.05Å
181K95.4Very high92.9Very high138 Ų13863.3 Ų63.360%0.634%0.337SS*.EExtended strand (participates in β ladder)trans-81.1126.5173.1-171.7-178.4179.2-171.20109.1D198 K199K181-D198 VanDerWaalsContact CE-CB 3.42Å; K181-D198 WeakPolarHBondContact CE-OD2 3.39Å; K181-D198 IonicContact NZ-OD2 2.66Å; K181-D198 PolarHBondContact NZ-OD2 2.87Å; K181-K199 WeakPolarHBondContact CA-O 3.13Å
182I94.1Very high92.2Very high15 Ų1571.4 Ų71.48%0.07737%0.365CS..EExtended strand (participates in β ladder)trans-114.1153.2169.963.2159.5000109.3D198 K199 L201 E220 I232 F234I182-D198 CarbonylContact O-C 3.6Å; I182-D198 WeakPolarHBondContact O-CA 3.43Å; I182-K199 HydrophobicContact CD1-CB 4.42Å; I182-K199 HydrophobicContact CG1-CB 4.08Å; I182-K199 VanDerWaalsContact CG1-O 3.32Å; I182-K199 WeakPolarHBondContact CG1-O 3.48Å; I182-K199 PolarHBondContact N-O 3.32Å; I182-K199 PolarHBondContact O-N 2.78Å; I182-L201 HydrophobicContact CD1-CD1 3.89Å; I182-L201 HydrophobicContact CD1-CD2 4.33Å; I182-L201 HydrophobicContact CD1-CG 4.12Å; I182-L201 HydrophobicContact CG1-CD1 4.23Å; I182-L201 HydrophobicContact CG1-CG 4.14Å; I182-L201 HydrophobicContact CG2-CD1 3.9Å; I182-L201 HydrophobicContact CG2-CG 4.36Å; I182-E220 HydrophobicContact CD1-CB 4.08Å; I182-I232 HydrophobicContact CB-CD1 4.42Å; I182-I232 HydrophobicContact CD1-CD1 3.58Å; I182-I232 HydrophobicContact CG2-CD1 4.14Å; I182-F234 HydrophobicContact CG2-CZ 4.49Å
183S92.9Very high91.9Very high78 Ų7874.6 Ų74.655%0.54539%0.385SS..EExtended strand (participates in β ladder)trans-117127.9169.1-57.60000107.6D198S183-D198 WeakPolarHBondContact CB-OD1 3.48Å; S183-D198 PolarHBondContact OG-OD1 3.42Å
184R92.3Very high91.6Very high28 Ų2877.1 Ų77.111%0.10640%0.398CS..EExtended strand (participates in β ladder)trans-134.9144.6-174.768.3-161.5-174.8148.23.3110.8R186 E197 E220 D222R184-R186 VanDerWaalsContact CD-CZ 3.43Å; R184-R186 VanDerWaalsContact CD-NH2 3.32Å; R184-R186 HydrophobicContact CG-CG 4.41Å; R184-E197 HydrophobicContact CG-CB 4.49Å; R184-E197 IonicContact CZ-OE1 2.98Å; R184-E197 PolarHBondContact N-O 2.82Å; R184-E197 IonicContact NE-OE1 3.04Å; R184-E197 IonicContact NH2-OE1 3.64Å; R184-E197 PolarHBondContact NH2-OE1 3.19Å; R184-E197 PolarHBondContact O-N 3.02Å; R184-E220 WeakPolarHBondContact CD-O 3.01Å; R184-E220 IonicContact CZ-OE2 3.51Å; R184-E220 IonicContact NE-OE2 2.75Å; R184-E220 VanDerWaalsContact NH1-CD 3.34Å; R184-E220 IonicContact NH1-OE1 3.61Å; R184-E220 IonicContact NH1-OE2 3.61Å; R184-E220 PolarHBondContact NH1-OE2 3.42Å; R184-D222 WeakPolarHBondContact CA-OD1 3.49Å
185K92.4Very high91.4Very high106 Ų10675.4 Ų75.446%0.46139%0.385SS..EExtended strand (participates in β ladder)trans-83.4134.3174.1-64.8177.6-176.2169.90110.4M194 R195 D222 E223K185-M194 HydrophobicContact CB-CE 3.8Å; K185-R195 CarbonylContact C-O 3.54Å; K185-R195 WeakPolarHBondContact CA-O 3.27Å; K185-D222 HydrophobicContact CB-CB 4.27Å; K185-D222 PolarHBondContact N-OD1 3.45Å; K185-E223 WeakPolarHBondContact O-CB 3.41Å; K185-E223 PolarHBondContact O-N 3.02Å
186R92.3Very high91.4Very high22 Ų2279 Ų798%0.08340%0.403CS..EExtended strand (participates in β ladder)trans-127.8145.5177.2-70-68175.7-91.515.3110.6R184 M194 R195 E197 R219 G221 E223R184-R186 VanDerWaalsContact CD-CZ 3.43Å; R184-R186 VanDerWaalsContact CD-NH2 3.32Å; R184-R186 HydrophobicContact CG-CG 4.41Å; R186-M194 WeakPolarHBondContact O-CA 3.17Å; R186-R195 HydrophobicContact CB-CG 4.35Å; R186-R195 PolarHBondContact N-O 3.26Å; R186-R195 PolarHBondContact O-N 3.45Å; R186-E197 HydrophobicContact CG-CB 4.48Å; R186-R219 PolarHBondContact NH2-O 3.04Å; R186-G221 PolarHBondContact NH1-O 2.92Å; R186-G221 PolarHBondContact NH2-O 3.42Å; R186-G221 VanDerWaalsContact NH2-O 3.16Å; R186-E223 VanDerWaalsContact CD-OE2 3.25Å; R186-E223 WeakPolarHBondContact CD-OE2 3.43Å
187L90.6Very high91.3Very high44 Ų4480.4 Ų80.423%0.2341%0.406CS..EExtended strand (participates in β ladder)trans-73136.1176.6-168.367.8000109.5M194 R195 E223 L225L187-M194 HydrophobicContact CB-SD 4.21Å; L187-M194 HydrophobicContact CD1-SD 3.57Å; L187-M194 VanDerWaalsContact CD1-SD 3.57Å; L187-R195 PolarHBondContact O-NH1 3.4Å; L187-E223 PolarHBondContact N-OE2 3.47Å; L187-L225 HydrophobicContact CD1-CD2 3.75Å; L187-L225 HydrophobicContact CD1-CG 4.39Å; L187-L225 HydrophobicContact CD2-CD2 3.75Å; L187-L225 HydrophobicContact CG-CD2 4.44Å
188N88.9Confident91.2Very high37 Ų3780.4 Ų80.420%0.19840%0.403CS..  trans-73.6160.2173-74.7-36.1000111.1D190 G191 T193 R195N188-D190 VanDerWaalsContact CB-OD1 3.3Å; N188-D190 WeakPolarHBondContact CB-OD1 3.41Å; N188-D190 PolarHBondContact O-N 2.71Å; N188-G191 PolarHBondContact O-N 3.48Å; N188-T193 WeakPolarHBondContact CB-O 3.4Å; N188-T193 WeakPolarHBondContact CB-OG1 3.2Å; N188-T193 PolarHBondContact N-O 3.31Å; N188-T193 PolarHBondContact ND2-OG1 3.04Å; N188-R195 VanDerWaalsContact OD1-CD 3.25Å; N188-R195 WeakPolarHBondContact OD1-CD 3.47Å; N188-R195 VanDerWaalsContact OD1-CG 3.29Å; N188-R195 WeakPolarHBondContact OD1-CG 3.17Å; N188-R195 PolarHBondContact OD1-NH1 3.24Å
189P86.9Confident91.2Very high133 Ų13382 Ų8286%0.86441%0.41SS*.THydrogen-bonded Turntrans-57.6-19.6177.7-24.434.9000113.8G191P189-G191 PolarHBondContact O-N 2.81Å
190D86.3Confident91.2Very high84 Ų8479.7 Ų79.745%0.44940%0.404SS..THydrogen-bonded Turntrans-69.8-9.8175.170.1-0.3000114N188 R192 T193N188-D190 VanDerWaalsContact CB-OD1 3.3Å; N188-D190 WeakPolarHBondContact CB-OD1 3.41Å; N188-D190 PolarHBondContact O-N 2.71Å; D190-R192 PolarHBondContact O-N 3.04Å; D190-R192 VanDerWaalsContact O-N 3.16Å; D190-R192 PolarHBondContact OD1-N 3.2Å; D190-T193 VanDerWaalsContact CG-OG1 3.26Å; D190-T193 PolarHBondContact OD1-N 3.46Å; D190-T193 PolarHBondContact OD1-OG1 3.24Å; D190-T193 WeakPolarHBondContact OD2-CB 2.81Å; D190-T193 VanDerWaalsContact OD2-CG2 3.25Å; D190-T193 WeakPolarHBondContact OD2-CG2 3.46Å; D190-T193 PolarHBondContact OD2-N 3.44Å; D190-T193 PolarHBondContact OD2-OG1 3.44Å
191G80.3Confident91.2Very high32 Ų3277 Ų7733%0.3339%0.391SS..SBendtrans65.113179.800000114.5N188 P189 L225N188-G191 PolarHBondContact O-N 3.48Å; P189-G191 PolarHBondContact O-N 2.81Å; G191-L225 VanDerWaalsContact O-CD2 3.22Å; G191-L225 WeakPolarHBondContact O-CD2 3.41Å
192R81.8Confident91.3Very high220 Ų22073.6 Ų73.683%0.8338%0.382SS*.SBendtrans-131.7-37.8-174.4-68.3-177-178.8-179.30.5113.2D190D190-R192 PolarHBondContact O-N 3.04Å; D190-R192 VanDerWaalsContact O-N 3.16Å; D190-R192 PolarHBondContact OD1-N 3.2Å
193T88Confident91.4Very high68 Ų6873 Ų7342%0.41738%0.378SS..  trans-101153.2-177.164.70000111.4N188 D190N188-T193 WeakPolarHBondContact CB-O 3.4Å; N188-T193 WeakPolarHBondContact CB-OG1 3.2Å; N188-T193 PolarHBondContact N-O 3.31Å; N188-T193 PolarHBondContact ND2-OG1 3.04Å; D190-T193 VanDerWaalsContact CG-OG1 3.26Å; D190-T193 PolarHBondContact OD1-N 3.46Å; D190-T193 PolarHBondContact OD1-OG1 3.24Å; D190-T193 WeakPolarHBondContact OD2-CB 2.81Å; D190-T193 VanDerWaalsContact OD2-CG2 3.25Å; D190-T193 WeakPolarHBondContact OD2-CG2 3.46Å; D190-T193 PolarHBondContact OD2-N 3.44Å; D190-T193 PolarHBondContact OD2-OG1 3.44Å
194M90.7Very high91.6Very high79 Ų7975.6 Ų75.639%0.38938%0.382SS..EExtended strand (participates in β ladder)trans-108.1145.3178.7-60.6-60.6-67.600110K185 R186 L187 E223K185-M194 HydrophobicContact CB-CE 3.8Å; R186-M194 WeakPolarHBondContact O-CA 3.17Å; L187-M194 HydrophobicContact CB-SD 4.21Å; L187-M194 HydrophobicContact CD1-SD 3.57Å; L187-M194 VanDerWaalsContact CD1-SD 3.57Å; M194-E223 WeakPolarHBondContact CE-O 3.47Å
195R92.3Very high91.8Very high103 Ų10374.5 Ų74.539%0.38938%0.378SS..EExtended strand (participates in β ladder)trans-120.9151.5167.566.3174.3-176.5-89.4-2110.9K185 R186 L187 N188 E197K185-R195 CarbonylContact C-O 3.54Å; K185-R195 WeakPolarHBondContact CA-O 3.27Å; R186-R195 HydrophobicContact CB-CG 4.35Å; R186-R195 PolarHBondContact N-O 3.26Å; R186-R195 PolarHBondContact O-N 3.45Å; L187-R195 PolarHBondContact O-NH1 3.4Å; N188-R195 VanDerWaalsContact OD1-CD 3.25Å; N188-R195 WeakPolarHBondContact OD1-CD 3.47Å; N188-R195 VanDerWaalsContact OD1-CG 3.29Å; N188-R195 WeakPolarHBondContact OD1-CG 3.17Å; N188-R195 PolarHBondContact OD1-NH1 3.24Å; R195-E197 IonicContact NH2-OE2 3.91Å
196T93.9Very high91.9Very high100 Ų10074.2 Ų74.261%0.61338%0.377SS*.EExtended strand (participates in β ladder)trans-89.8130.6168.6-55.60000108.9
197E94.1Very high92.1Very high59 Ų5977.6 Ų77.628%0.27639%0.39SS..EExtended strand (participates in β ladder)trans-124.6131.4178.6-173.2-173.7127.200109.3R184 R186 R195R184-E197 HydrophobicContact CG-CB 4.49Å; R184-E197 IonicContact CZ-OE1 2.98Å; R184-E197 PolarHBondContact N-O 2.82Å; R184-E197 IonicContact NE-OE1 3.04Å; R184-E197 IonicContact NH2-OE1 3.64Å; R184-E197 PolarHBondContact NH2-OE1 3.19Å; R184-E197 PolarHBondContact O-N 3.02Å; R186-E197 HydrophobicContact CG-CB 4.48Å; R195-E197 IonicContact NH2-OE2 3.91Å
198D94.6Very high92.3Very high83 Ų8375.5 Ų75.544%0.44438%0.379SS..EExtended strand (participates in β ladder)trans-91.3132.1173.3-73.5-21.9000110.2K181 I182 S183K181-D198 VanDerWaalsContact CE-CB 3.42Å; K181-D198 WeakPolarHBondContact CE-OD2 3.39Å; K181-D198 IonicContact NZ-OD2 2.66Å; K181-D198 PolarHBondContact NZ-OD2 2.87Å; I182-D198 CarbonylContact O-C 3.6Å; I182-D198 WeakPolarHBondContact O-CA 3.43Å; S183-D198 WeakPolarHBondContact CB-OD1 3.48Å; S183-D198 PolarHBondContact OG-OD1 3.42Å
199K95.2Very high92.6Very high76 Ų7676.3 Ų76.333%0.3338%0.379SS..EExtended strand (participates in β ladder)trans-131.2141.2175-173.8171.6175.5-177.10110.6K181 I182 L201 E220K181-K199 WeakPolarHBondContact CA-O 3.13Å; I182-K199 HydrophobicContact CD1-CB 4.42Å; I182-K199 HydrophobicContact CG1-CB 4.08Å; I182-K199 VanDerWaalsContact CG1-O 3.32Å; I182-K199 WeakPolarHBondContact CG1-O 3.48Å; I182-K199 PolarHBondContact N-O 3.32Å; I182-K199 PolarHBondContact O-N 2.78Å; K199-L201 HydrophobicContact CD-CD2 4.25Å; K199-L201 HydrophobicContact CG-CD2 4.29Å; K199-E220 WeakPolarHBondContact CD-OE2 3.38Å; K199-E220 IonicContact NZ-OE1 3.61Å; K199-E220 PolarHBondContact NZ-OE1 2.9Å; K199-E220 IonicContact NZ-OE2 3.27Å
200I96.5Very high93Very high106 Ų10675.6 Ų75.654%0.54436%0.362SS..EExtended strand (participates in β ladder)trans-97.8115.9174.7-60.2173000108.3K179K179-I200 HydrophobicContact CB-CG2 3.75Å; K179-I200 HydrophobicContact CD-CG2 4.3Å; K179-I200 HydrophobicContact CG-CG2 4.19Å
201L96.3Very high93.3Very high5 Ų576.1 Ų76.13%0.02636%0.362CS..EExtended strand (participates in β ladder)trans-90.1127.2172.2-56.8-176.7000109K179 M180 I182 K199 F217 E220 I232 F234K179-L201 CarbonylContact C-O 3.43Å; K179-L201 WeakPolarHBondContact CA-O 3.48Å; M180-L201 PolarHBondContact N-O 3Å; M180-L201 PolarHBondContact O-N 3.16Å; I182-L201 HydrophobicContact CD1-CD1 3.89Å; I182-L201 HydrophobicContact CD1-CD2 4.33Å; I182-L201 HydrophobicContact CD1-CG 4.12Å; I182-L201 HydrophobicContact CG1-CD1 4.23Å; I182-L201 HydrophobicContact CG1-CG 4.14Å; I182-L201 HydrophobicContact CG2-CD1 3.9Å; I182-L201 HydrophobicContact CG2-CG 4.36Å; K199-L201 HydrophobicContact CD-CD2 4.25Å; K199-L201 HydrophobicContact CG-CD2 4.29Å; L201-F217 HydrophobicContact CB-CD1 4.27Å; L201-F217 HydrophobicContact CB-CE1 3.94Å; L201-F217 HydrophobicContact CB-CE2 4.27Å; L201-F217 HydrophobicContact CB-CZ 3.95Å; L201-F217 HydrophobicContact CD1-CB 4.1Å; L201-F217 HydrophobicContact CD1-CD1 4.15Å; L201-F217 HydrophobicContact CD1-CD2 3.87Å; L201-F217 HydrophobicContact CD1-CE2 4.32Å; L201-F217 HydrophobicContact CD1-CG 3.77Å; L201-F217 HydrophobicContact CD2-CD1 3.89Å; L201-F217 HydrophobicContact CD2-CE1 4.29Å; L201-F217 HydrophobicContact CD2-CG 4.29Å; L201-F217 HydrophobicContact CG-CD1 4.32Å; L201-F217 HydrophobicContact CG-CE1 4.49Å; L201-F217 HydrophobicContact CG-CG 4.44Å; L201-E220 HydrophobicContact CD1-CG 4.5Å; L201-E220 HydrophobicContact CD2-CG 4.1Å; L201-I232 HydrophobicContact CD1-CG2 4.4Å; L201-F234 HydrophobicContact CD1-CE2 3.76Å; L201-F234 HydrophobicContact CD1-CZ 4.3Å
202T97.1Very high94Very high67 Ų6776.2 Ų76.241%0.41136%0.364SS..EExtended strand (participates in β ladder)trans-101.2122.5179.5-58.60000109T177 K179T177-T202 HydrophobicContact CG2-CG2 3.3Å; K179-T202 HydrophobicContact CG-CG2 4.45Å
203I96.9Very high94.7Very high2 Ų267.7 Ų67.71%0.0134%0.336CS..EExtended strand (participates in β ladder)trans-113.2115.4-177.7-57.2169.8000108L165 T177 K178 M180 I205 I215 F217 F234L165-I203 HydrophobicContact CD2-CB 4.38Å; L165-I203 HydrophobicContact CD2-CD1 3.75Å; L165-I203 HydrophobicContact CD2-CG2 3.86Å; T177-I203 CarbonylContact C-O 3.36Å; T177-I203 WeakPolarHBondContact CA-O 3.4Å; K178-I203 PolarHBondContact N-O 2.8Å; K178-I203 PolarHBondContact O-N 3.2Å; M180-I203 HydrophobicContact CG-CD1 3.72Å; I203-I205 HydrophobicContact CG2-CG1 4.13Å; I203-I215 HydrophobicContact CG2-CD1 4.35Å; I203-I215 HydrophobicContact CG2-CG1 4.2Å; I203-I215 HydrophobicContact CG2-CG2 4.43Å; I203-F217 HydrophobicContact CD1-CE2 4.22Å; I203-F217 HydrophobicContact CG1-CE2 3.77Å; I203-F217 HydrophobicContact CG1-CZ 3.67Å; I203-F234 HydrophobicContact CD1-CB 3.95Å; I203-F234 HydrophobicContact CD1-CD1 3.84Å; I203-F234 HydrophobicContact CD1-CD2 3.61Å; I203-F234 HydrophobicContact CD1-CE1 4.24Å; I203-F234 HydrophobicContact CD1-CE2 4.02Å; I203-F234 HydrophobicContact CD1-CG 3.5Å; I203-F234 HydrophobicContact CD1-CZ 4.32Å; I203-F234 HydrophobicContact CG1-CD2 4.5Å
204E96.2Very high95.2Very high133 Ų13371.5 Ų71.562%0.62135%0.347SS*.EExtended strand (participates in β ladder)trans-93.8105.6175.4-65.2-178.1177.600109.8T177 K206 W209T177-E204 HydrophobicContact CG2-CG 4.31Å; E204-K206 PolarHBondContact O-N 3.16Å; E204-W209 VanDerWaalsContact O-CH2 3.27Å; E204-W209 WeakPolarHBondContact O-CH2 3.3Å; E204-W209 WeakPolarHBondContact O-CZ3 3.42Å
205I95.9Very high95.4Very high6 Ų669 Ų693%0.03134%0.335CS..EExtended strand (participates in β ladder)trans-86111.1179.4-58175.7000107.9L165 V167 G175 C176 K178 I203 W209 I236L165-I205 HydrophobicContact CD2-CD1 3.96Å; V167-I205 HydrophobicContact CB-CD1 4.4Å; V167-I205 HydrophobicContact CG1-CD1 3.87Å; V167-I205 HydrophobicContact CG1-CG2 4.41Å; V167-I205 HydrophobicContact CG2-CD1 3.53Å; G175-I205 CarbonylContact C-O 3.48Å; G175-I205 WeakPolarHBondContact CA-O 3.46Å; C176-I205 PolarHBondContact N-O 2.96Å; C176-I205 WeakPolarHBondContact O-CA 3.33Å; C176-I205 WeakPolarHBondContact O-CB 3.35Å; C176-I205 PolarHBondContact O-N 2.77Å; K178-I205 HydrophobicContact CD-CD1 3.9Å; K178-I205 HydrophobicContact CG-CD1 4.14Å; I203-I205 HydrophobicContact CG2-CG1 4.13Å; I205-W209 HydrophobicContact CB-CE3 4.37Å; I205-W209 HydrophobicContact CG2-CE3 4.01Å; I205-I236 HydrophobicContact CG1-CD1 4.44Å; I205-I236 HydrophobicContact CG2-CD1 4.33Å
206K95.3Very high95.6Very high99 Ų9967.7 Ų67.743%0.4334%0.338SS..  trans-78.5153177.7-52.4-176.7177-176.60111.4N118 E204 G208 W209N118-K206 PolarHBondContact OD1-NZ 3.11Å; E204-K206 PolarHBondContact O-N 3.16Å; K206-G208 PolarHBondContact O-N 3.34Å; K206-W209 HydrophobicContact CB-CD2 4.2Å; K206-W209 HydrophobicContact CB-CG 4.29Å; K206-W209 HydrophobicContact CB-CZ2 4.25Å; K206-W209 HydrophobicContact CD-CZ2 4.08Å; K206-W209 HydrophobicContact CG-CZ2 3.84Å; K206-W209 WeakPolarHBondContact O-CB 3.31Å; K206-W209 PolarHBondContact O-N 3.24Å
207R96.2Very high95.7Very high93 Ų9364.6 Ų64.635%0.35132%0.316SS..THydrogen-bonded Turntrans-55.1133.2178-67.7175.469-146.4-3.5111.6V172 F173 Q174 W209 P300 P305V172-R207 WeakPolarHBondContact O-CA 3.3Å; F173-R207 PolarHBondContact O-NE 3.39Å; Q174-R207 WeakPolarHBondContact O-CD 3.26Å; Q174-R207 WeakPolarHBondContact O-CG 3.29Å; R207-W209 VanDerWaalsContact C-N 3.27Å; R207-W209 PolarHBondContact O-N 2.85Å; R207-P300 HydrophobicContact CB-CB 4.31Å; R207-P300 HydrophobicContact CB-CG 4.31Å; R207-P305 HydrophobicContact CB-CB 4.3Å; R207-P305 PolarHBondContact NH2-O 3.02Å
208G94.6Very high95.8Very high0 Ų066 Ų660%033%0.33CS..THydrogen-bonded Turntrans772.9175.600000115.5V172 K206 K210 P300 P302V172-G208 PolarHBondContact O-N 3Å; K206-G208 PolarHBondContact O-N 3.34Å; G208-K210 PolarHBondContact O-N 3.1Å; G208-P300 WeakPolarHBondContact CA-O 3.25Å; G208-P302 VanDerWaalsContact O-CG 3.31Å; G208-P302 WeakPolarHBondContact O-CG 3.35Å
209W95.4Very high95.7Very high54 Ų5469.1 Ų69.121%0.20534%0.336CS..PPolyproline II helixtrans-52.9134.2177.3-89.710.4000112.8V172 E204 I205 K206 R207 T213 I215 I236 R246V172-W209 WeakPolarHBondContact CG1-O 3.45Å; E204-W209 VanDerWaalsContact O-CH2 3.27Å; E204-W209 WeakPolarHBondContact O-CH2 3.3Å; E204-W209 WeakPolarHBondContact O-CZ3 3.42Å; I205-W209 HydrophobicContact CB-CE3 4.37Å; I205-W209 HydrophobicContact CG2-CE3 4.01Å; K206-W209 HydrophobicContact CB-CD2 4.2Å; K206-W209 HydrophobicContact CB-CG 4.29Å; K206-W209 HydrophobicContact CB-CZ2 4.25Å; K206-W209 HydrophobicContact CD-CZ2 4.08Å; K206-W209 HydrophobicContact CG-CZ2 3.84Å; K206-W209 WeakPolarHBondContact O-CB 3.31Å; K206-W209 PolarHBondContact O-N 3.24Å; R207-W209 VanDerWaalsContact C-N 3.27Å; R207-W209 PolarHBondContact O-N 2.85Å; W209-T213 HydrophobicContact CD2-CG2 4.11Å; W209-T213 HydrophobicContact CE3-CG2 4.13Å; W209-T213 HydrophobicContact CZ3-CG2 4.36Å; W209-I215 HydrophobicContact CH2-CG1 4.15Å; W209-I215 HydrophobicContact CZ3-CD1 3.95Å; W209-I215 HydrophobicContact CZ3-CG1 3.94Å; W209-I236 HydrophobicContact CD2-CD1 4.3Å; W209-I236 HydrophobicContact CE3-CD1 3.23Å; W209-I236 HydrophobicContact CZ3-CD1 3.7Å; W209-R246 VanDerWaalsContact O-CZ 3.31Å; W209-R246 PolarHBondContact O-NH1 2.98Å; W209-R246 PolarHBondContact O-NH2 2.78Å
210K94.6Very high95.7Very high118 Ų11866.5 Ų66.551%0.51333%0.325SS..PPolyproline II helixtrans-79.6150.6-176.9-63.5-175179.7-175.60110.8G208 G212 T213 P302G208-K210 PolarHBondContact O-N 3.1Å; K210-G212 PolarHBondContact O-N 2.64Å; K210-T213 WeakPolarHBondContact O-CB 3.35Å; K210-T213 PolarHBondContact O-N 3.11Å; K210-T213 PolarHBondContact O-OG1 3.37Å; K210-P302 HydrophobicContact CG-CG 4.1Å
211E94.5Very high95.4Very high95 Ų9561.5 Ų61.544%0.44430%0.3SS..THydrogen-bonded Turntrans-52.6140.6164.8-172.4-177.1163.200110.1T213 K237E211-T213 VanDerWaalsContact C-N 3.34Å; E211-K237 HydrophobicContact CG-CD 4.01Å; E211-K237 WeakPolarHBondContact OE1-CD 3.21Å; E211-K237 IonicContact OE1-NZ 2.63Å; E211-K237 PolarHBondContact OE1-NZ 3.41Å
212G94.9Very high95.2Very high35 Ų3564.6 Ų64.636%0.36132%0.316SS..THydrogen-bonded Turntrans88.9-4.9-179.800000114.5K210 K214 I236K210-G212 PolarHBondContact O-N 2.64Å; G212-K214 PolarHBondContact O-N 3.34Å; G212-I236 PolarHBondContact N-O 3.48Å
213T96Very high94.8Very high40 Ų4064.4 Ų64.425%0.24531%0.311CS..  trans-57.5126.5172.1-57.30000109.6W209 K210 E211 I236W209-T213 HydrophobicContact CD2-CG2 4.11Å; W209-T213 HydrophobicContact CE3-CG2 4.13Å; W209-T213 HydrophobicContact CZ3-CG2 4.36Å; K210-T213 WeakPolarHBondContact O-CB 3.35Å; K210-T213 PolarHBondContact O-N 3.11Å; K210-T213 PolarHBondContact O-OG1 3.37Å; E211-T213 VanDerWaalsContact C-N 3.34Å; T213-I236 PolarHBondContact O-N 3.35Å
214K97.2Very high94.2Very high148 Ų14867.2 Ų67.264%0.64333%0.33SS*.EExtended strand (participates in β ladder)trans-100.3132.7-177.7-59.6-173.6178.3174.40110.6G212 V233 F234 V235G212-K214 PolarHBondContact O-N 3.34Å; K214-V233 HydrophobicContact CB-CG1 3.94Å; K214-V233 HydrophobicContact CD-CG1 4.3Å; K214-V233 HydrophobicContact CG-CG1 4.3Å; K214-F234 CarbonylContact C-O 3.55Å; K214-F234 WeakPolarHBondContact CA-O 3.24Å; K214-V235 HydrophobicContact CG-CG2 4.23Å
215I96.5Very high93.5Very high28 Ų2865.6 Ų65.614%0.14433%0.326CS..EExtended strand (participates in β ladder)trans-117.8110.5175.2-56.590.4000107.5I203 W209 F217 V233 F234 I236I203-I215 HydrophobicContact CG2-CD1 4.35Å; I203-I215 HydrophobicContact CG2-CG1 4.2Å; I203-I215 HydrophobicContact CG2-CG2 4.43Å; W209-I215 HydrophobicContact CH2-CG1 4.15Å; W209-I215 HydrophobicContact CZ3-CD1 3.95Å; W209-I215 HydrophobicContact CZ3-CG1 3.94Å; I215-F217 HydrophobicContact CG2-CD2 4.4Å; I215-F217 HydrophobicContact CG2-CE2 3.69Å; I215-F217 HydrophobicContact CG2-CZ 4.07Å; I215-V233 CarbonylContact O-C 3.53Å; I215-V233 WeakPolarHBondContact O-CA 3.08Å; I215-F234 HydrophobicContact CB-CB 4.4Å; I215-F234 PolarHBondContact N-O 3.15Å; I215-F234 PolarHBondContact O-N 3.3Å; I215-I236 HydrophobicContact CD1-CD1 3.76Å; I215-I236 HydrophobicContact CD1-CG1 3.76Å
216T96.4Very high92.8Very high74 Ų7470.8 Ų70.845%0.45435%0.353SS..EExtended strand (participates in β ladder)trans-99.9127.4-175.7-55.80000110.6D231 V233T216-D231 HydrophobicContact CG2-CB 3.9Å; T216-V233 HydrophobicContact CG2-CG2 4.05Å
217F96.1Very high92.2Very high36 Ų3668 Ų6816%0.15835%0.345CS..EExtended strand (participates in β ladder)trans-106.9105.1168.1-63.6-92.7000108.8L201 I203 I215 E220 I232 F234L201-F217 HydrophobicContact CB-CD1 4.27Å; L201-F217 HydrophobicContact CB-CE1 3.94Å; L201-F217 HydrophobicContact CB-CE2 4.27Å; L201-F217 HydrophobicContact CB-CZ 3.95Å; L201-F217 HydrophobicContact CD1-CB 4.1Å; L201-F217 HydrophobicContact CD1-CD1 4.15Å; L201-F217 HydrophobicContact CD1-CD2 3.87Å; L201-F217 HydrophobicContact CD1-CE2 4.32Å; L201-F217 HydrophobicContact CD1-CG 3.77Å; L201-F217 HydrophobicContact CD2-CD1 3.89Å; L201-F217 HydrophobicContact CD2-CE1 4.29Å; L201-F217 HydrophobicContact CD2-CG 4.29Å; L201-F217 HydrophobicContact CG-CD1 4.32Å; L201-F217 HydrophobicContact CG-CE1 4.49Å; L201-F217 HydrophobicContact CG-CG 4.44Å; I203-F217 HydrophobicContact CD1-CE2 4.22Å; I203-F217 HydrophobicContact CG1-CE2 3.77Å; I203-F217 HydrophobicContact CG1-CZ 3.67Å; I215-F217 HydrophobicContact CG2-CD2 4.4Å; I215-F217 HydrophobicContact CG2-CE2 3.69Å; I215-F217 HydrophobicContact CG2-CZ 4.07Å; F217-E220 HydrophobicContact CB-CB 4.12Å; F217-E220 HydrophobicContact CB-CG 3.53Å; F217-I232 PolarHBondContact N-O 3.29Å; F217-I232 PolarHBondContact O-N 3.06Å; F217-F234 AromaticContact CD2-CD2 3.7Å; F217-F234 HydrophobicContact CD2-CD2 3.7Å; F217-F234 AromaticContact CD2-CE2 3.81Å; F217-F234 HydrophobicContact CD2-CE2 3.81Å; F217-F234 AromaticContact CE2-CD2 3.55Å; F217-F234 HydrophobicContact CE2-CD2 3.55Å; F217-F234 AromaticContact CE2-CE2 3.79Å; F217-F234 HydrophobicContact CE2-CE2 3.79Å
218P95.1Very high91.8Very high88 Ų8865.8 Ų65.857%0.57134%0.339SS*.THydrogen-bonded Turntrans-69137.3-170.527-34000111.4E220 D231P218-E220 PolarHBondContact O-N 3.5Å; P218-E220 VanDerWaalsContact O-N 3.12Å; P218-D231 VanDerWaalsContact CA-OD1 3.25Å; P218-D231 WeakPolarHBondContact CA-OD1 3.4Å
219R93.3Very high91.6Very high149 Ų14966.5 Ų66.556%0.56234%0.344SS*.THydrogen-bonded Turntrans54.928.9174.8-54177.1-177.2168.31.1114.6R186 I228 P229 A230 D231R186-R219 PolarHBondContact NH2-O 3.04Å; R219-I228 HydrophobicContact CG-CG2 4.08Å; R219-P229 HydrophobicContact CB-CB 4.06Å; R219-P229 HydrophobicContact CB-CG 4.4Å; R219-A230 CarbonylContact C-O 3.59Å; R219-A230 WeakPolarHBondContact CA-O 3.33Å; R219-D231 PolarHBondContact N-OD1 2.91Å
220E94.3Very high91.5Very high20 Ų2064.1 Ų64.19%0.09334%0.336CS..  trans-85.9-9.5177.7-74.2-59.2157.800113.7I182 R184 K199 L201 F217 P218 A230 I232I182-E220 HydrophobicContact CD1-CB 4.08Å; R184-E220 WeakPolarHBondContact CD-O 3.01Å; R184-E220 IonicContact CZ-OE2 3.51Å; R184-E220 IonicContact NE-OE2 2.75Å; R184-E220 VanDerWaalsContact NH1-CD 3.34Å; R184-E220 IonicContact NH1-OE1 3.61Å; R184-E220 IonicContact NH1-OE2 3.61Å; R184-E220 PolarHBondContact NH1-OE2 3.42Å; K199-E220 WeakPolarHBondContact CD-OE2 3.38Å; K199-E220 IonicContact NZ-OE1 3.61Å; K199-E220 PolarHBondContact NZ-OE1 2.9Å; K199-E220 IonicContact NZ-OE2 3.27Å; L201-E220 HydrophobicContact CD1-CG 4.5Å; L201-E220 HydrophobicContact CD2-CG 4.1Å; F217-E220 HydrophobicContact CB-CB 4.12Å; F217-E220 HydrophobicContact CB-CG 3.53Å; P218-E220 PolarHBondContact O-N 3.5Å; P218-E220 VanDerWaalsContact O-N 3.12Å; E220-A230 PolarHBondContact N-O 2.8Å; E220-I232 HydrophobicContact CB-CB 4.11Å; E220-I232 HydrophobicContact CB-CD1 3.72Å; E220-I232 HydrophobicContact CB-CG1 3.84Å; E220-I232 WeakPolarHBondContact O-CD1 3.11Å
221G91.6Very high91.5Very high2 Ų260.1 Ų60.12%0.02132%0.32CS..SBendtrans-70.9-173.3174.700000113.7R186 A230R186-G221 PolarHBondContact NH1-O 2.92Å; R186-G221 PolarHBondContact NH2-O 3.42Å; R186-G221 VanDerWaalsContact NH2-O 3.16Å; G221-A230 WeakPolarHBondContact CA-O 3.37Å; G221-A230 PolarHBondContact N-O 3.03Å
222D91.6Very high91.6Very high70 Ų7056 Ų5637%0.37430%0.301SS..  trans-65.5138.5179.4-77.8-9.1000111.9R184 K185 P229R184-D222 WeakPolarHBondContact CA-OD1 3.49Å; K185-D222 HydrophobicContact CB-CB 4.27Å; K185-D222 PolarHBondContact N-OD1 3.45Å; D222-P229 WeakPolarHBondContact O-CA 3.39Å
223E88.5Confident91.7Very high63 Ų6354.9 Ų54.929%0.29429%0.287SS..  trans-91148.7175.3-172.3172-145.500110.9K185 R186 L187 M194 P229K185-E223 WeakPolarHBondContact O-CB 3.41Å; K185-E223 PolarHBondContact O-N 3.02Å; R186-E223 VanDerWaalsContact CD-OE2 3.25Å; R186-E223 WeakPolarHBondContact CD-OE2 3.43Å; L187-E223 PolarHBondContact N-OE2 3.47Å; M194-E223 WeakPolarHBondContact CE-O 3.47Å; E223-P229 HydrophobicContact CB-CG 4.02Å; E223-P229 HydrophobicContact CG-CG 4.1Å
224S84.8Confident91.8Very high60 Ų6053.1 Ų53.142%0.4228%0.276SS..BIsolated β-bridgetrans-147.1156.1175.9-73.40000110.5N226 T227S224-N226 PolarHBondContact O-N 3.06Å; S224-T227 PolarHBondContact O-N 3.36Å
225L79.9Confident91.9Very high100 Ų10047 Ų4752%0.52425%0.251SS..THydrogen-bonded Turntrans-52.4-33.4-168.8-72.1164.2000115L187 G191L187-L225 HydrophobicContact CD1-CD2 3.75Å; L187-L225 HydrophobicContact CD1-CG 4.39Å; L187-L225 HydrophobicContact CD2-CD2 3.75Å; L187-L225 HydrophobicContact CG-CD2 4.44Å; G191-L225 VanDerWaalsContact O-CD2 3.22Å; G191-L225 WeakPolarHBondContact O-CD2 3.41Å
226N82.1Confident91.9Very high114 Ų11445.6 Ų45.661%0.6124%0.244SC*.THydrogen-bonded Turntrans-126.111.4-175.1-71.5-30.1000114S224S224-N226 PolarHBondContact O-N 3.06Å
227T82.9Confident91.9Very high42 Ų4245.1 Ų45.126%0.25824%0.236SC..BIsolated β-bridgetrans-125.7135.8-172.9-47.40000109.8K156 D158 S224K156-T227 VanDerWaalsContact O-CG2 3.27Å; K156-T227 WeakPolarHBondContact O-CG2 3.2Å; D158-T227 HydrophobicContact CB-CG2 4.42Å; D158-T227 WeakPolarHBondContact OD1-CG2 3.17Å; D158-T227 WeakPolarHBondContact OD2-CG2 3.45Å; S224-T227 PolarHBondContact O-N 3.36Å
228I87.5Confident91.9Very high45 Ų4545 Ų4523%0.23124%0.236CC..BIsolated β-bridgetrans-73.7130.5172.5-60.7170000107.1R155 K156 Q157 R219 A230R155-I228 HydrophobicContact CB-CD1 4.16Å; R155-I228 HydrophobicContact CB-CG1 3.95Å; K156-I228 PolarHBondContact O-N 3.45Å; K156-I228 VanDerWaalsContact O-N 3.12Å; Q157-I228 HydrophobicContact CB-CB 3.95Å; Q157-I228 HydrophobicContact CB-CG2 4.27Å; Q157-I228 HydrophobicContact CG-CB 4.01Å; Q157-I228 HydrophobicContact CG-CG2 3.9Å; R219-I228 HydrophobicContact CG-CG2 4.08Å; I228-A230 PolarHBondContact O-N 3.03Å
229P91.2Very high92Very high15 Ų1546.4 Ų46.410%0.09723%0.234CC..PPolyproline II helixtrans-54141.6-179.9-23.530.2000112.1Q157 R219 D222 E223Q157-P229 PolarHBondContact NE2-O 2.81Å; R219-P229 HydrophobicContact CB-CB 4.06Å; R219-P229 HydrophobicContact CB-CG 4.4Å; D222-P229 WeakPolarHBondContact O-CA 3.39Å; E223-P229 HydrophobicContact CB-CG 4.02Å; E223-P229 HydrophobicContact CG-CG 4.1Å
230A92.9Very high92.1Very high5 Ų544.9 Ų44.94%0.04124%0.243CC..PPolyproline II helixtrans-61.9153.5175.400000111.4D158 P159 I161 R219 E220 G221 I228D158-A230 HydrophobicContact CB-CB 4.04Å; P159-A230 WeakPolarHBondContact O-CB 3.2Å; I161-A230 HydrophobicContact CD1-CB 4.22Å; I161-A230 HydrophobicContact CG1-CB 4.11Å; R219-A230 CarbonylContact C-O 3.59Å; R219-A230 WeakPolarHBondContact CA-O 3.33Å; E220-A230 PolarHBondContact N-O 2.8Å; G221-A230 WeakPolarHBondContact CA-O 3.37Å; G221-A230 PolarHBondContact N-O 3.03Å; I228-A230 PolarHBondContact O-N 3.03Å
231D95.5Very high92.2Very high34 Ų3446 Ų4618%0.18225%0.248CC..PPolyproline II helixtrans-78.2146.7169.1-65.7-11.7000110Q157 P160 I161 T216 P218 R219Q157-D231 PolarHBondContact NE2-OD1 2.92Å; P160-D231 CarbonylContact C-O 3.44Å; P160-D231 VanDerWaalsContact CA-O 3.3Å; P160-D231 WeakPolarHBondContact CA-O 3.38Å; P160-D231 HydrophobicContact CB-CB 4.29Å; I161-D231 PolarHBondContact N-O 3.21Å; T216-D231 HydrophobicContact CG2-CB 3.9Å; P218-D231 VanDerWaalsContact CA-OD1 3.25Å; P218-D231 WeakPolarHBondContact CA-OD1 3.4Å; R219-D231 PolarHBondContact N-OD1 2.91Å
232I96.1Very high92.3Very high8 Ų851.1 Ų51.14%0.04128%0.281CS..EExtended strand (participates in β ladder)trans-101.3122.9169.6-64.7-176.4000108.4I161 I182 L201 F217 E220 F234I161-I232 HydrophobicContact CB-CG1 4.41Å; I161-I232 CarbonylContact O-C 3.5Å; I161-I232 WeakPolarHBondContact O-CA 3.36Å; I182-I232 HydrophobicContact CB-CD1 4.42Å; I182-I232 HydrophobicContact CD1-CD1 3.58Å; I182-I232 HydrophobicContact CG2-CD1 4.14Å; L201-I232 HydrophobicContact CD1-CG2 4.4Å; F217-I232 PolarHBondContact N-O 3.29Å; F217-I232 PolarHBondContact O-N 3.06Å; E220-I232 HydrophobicContact CB-CB 4.11Å; E220-I232 HydrophobicContact CB-CD1 3.72Å; E220-I232 HydrophobicContact CB-CG1 3.84Å; E220-I232 WeakPolarHBondContact O-CD1 3.11Å; I232-F234 HydrophobicContact CG2-CD2 4.16Å; I232-F234 HydrophobicContact CG2-CE2 3.58Å; I232-F234 HydrophobicContact CG2-CZ 4.04Å
233V97.4Very high92.3Very high11 Ų1152.7 Ų52.77%0.06729%0.286CS..EExtended strand (participates in β ladder)trans-116.2118.3-177.6-1780000109.5P160 I161 I162 H163 K214 I215 T216 V235P160-V233 HydrophobicContact CB-CG2 3.77Å; I161-V233 PolarHBondContact O-N 3.22Å; I162-V233 CarbonylContact C-O 3.59Å; I162-V233 WeakPolarHBondContact CA-O 3.49Å; I162-V233 HydrophobicContact CG1-CB 4.48Å; H163-V233 PolarHBondContact N-O 2.86Å; K214-V233 HydrophobicContact CB-CG1 3.94Å; K214-V233 HydrophobicContact CD-CG1 4.3Å; K214-V233 HydrophobicContact CG-CG1 4.3Å; I215-V233 CarbonylContact O-C 3.53Å; I215-V233 WeakPolarHBondContact O-CA 3.08Å; T216-V233 HydrophobicContact CG2-CG2 4.05Å; V233-V235 HydrophobicContact CG1-CG2 4.28Å
234F98Very high92.6Very high3 Ų350.6 Ų50.61%0.01328%0.276CS..EExtended strand (participates in β ladder)trans-91.4127.7168.8-67.3-89.7000110H163 L165 M180 I182 L201 I203 K214 I215 F217 I232H163-F234 HydrophobicContact CB-CD1 3.67Å; H163-F234 HydrophobicContact CB-CE1 3.69Å; H163-F234 HydrophobicContact CB-CG 4.48Å; H163-F234 CarbonylContact O-C 3.58Å; H163-F234 VanDerWaalsContact O-CA 3.27Å; H163-F234 WeakPolarHBondContact O-CA 3.43Å; L165-F234 HydrophobicContact CB-CB 4.38Å; L165-F234 HydrophobicContact CB-CD1 4.41Å; M180-F234 HydrophobicContact CB-CE1 4Å; M180-F234 HydrophobicContact CB-CZ 3.78Å; M180-F234 HydrophobicContact CE-CE1 4.06Å; M180-F234 HydrophobicContact CG-CD1 4.43Å; M180-F234 HydrophobicContact CG-CE1 3.81Å; M180-F234 HydrophobicContact CG-CZ 4.05Å; I182-F234 HydrophobicContact CG2-CZ 4.49Å; L201-F234 HydrophobicContact CD1-CE2 3.76Å; L201-F234 HydrophobicContact CD1-CZ 4.3Å; I203-F234 HydrophobicContact CD1-CB 3.95Å; I203-F234 HydrophobicContact CD1-CD1 3.84Å; I203-F234 HydrophobicContact CD1-CD2 3.61Å; I203-F234 HydrophobicContact CD1-CE1 4.24Å; I203-F234 HydrophobicContact CD1-CE2 4.02Å; I203-F234 HydrophobicContact CD1-CG 3.5Å; I203-F234 HydrophobicContact CD1-CZ 4.32Å; I203-F234 HydrophobicContact CG1-CD2 4.5Å; K214-F234 CarbonylContact C-O 3.55Å; K214-F234 WeakPolarHBondContact CA-O 3.24Å; I215-F234 HydrophobicContact CB-CB 4.4Å; I215-F234 PolarHBondContact N-O 3.15Å; I215-F234 PolarHBondContact O-N 3.3Å; F217-F234 AromaticContact CD2-CD2 3.7Å; F217-F234 HydrophobicContact CD2-CD2 3.7Å; F217-F234 AromaticContact CD2-CE2 3.81Å; F217-F234 HydrophobicContact CD2-CE2 3.81Å; F217-F234 AromaticContact CE2-CD2 3.55Å; F217-F234 HydrophobicContact CE2-CD2 3.55Å; F217-F234 AromaticContact CE2-CE2 3.79Å; F217-F234 HydrophobicContact CE2-CE2 3.79Å; I232-F234 HydrophobicContact CG2-CD2 4.16Å; I232-F234 HydrophobicContact CG2-CE2 3.58Å; I232-F234 HydrophobicContact CG2-CZ 4.04Å
235V97.8Very high93.1Very high19 Ų1953.8 Ų53.812%0.11528%0.279CS..EExtended strand (participates in β ladder)trans-108.2121.6176.2-173.30000108.4I162 H163 L165 K214 V233 K237I162-V235 HydrophobicContact CG2-CG2 3.58Å; H163-V235 PolarHBondContact O-N 3.1Å; L165-V235 PolarHBondContact N-O 3.25Å; K214-V235 HydrophobicContact CG-CG2 4.23Å; V233-V235 HydrophobicContact CG1-CG2 4.28Å; V235-K237 PolarHBondContact O-N 3.05Å
236I96.9Very high93.9Very high0 Ų050.7 Ų50.70%026%0.26CS..EExtended strand (participates in β ladder)trans-68.5130.1178.9-70.8177.3000110.2V167 I205 W209 G212 T213 I215V167-I236 HydrophobicContact CG2-CG1 4.48Å; V167-I236 HydrophobicContact CG2-CG2 4.04Å; I205-I236 HydrophobicContact CG1-CD1 4.44Å; I205-I236 HydrophobicContact CG2-CD1 4.33Å; W209-I236 HydrophobicContact CD2-CD1 4.3Å; W209-I236 HydrophobicContact CE3-CD1 3.23Å; W209-I236 HydrophobicContact CZ3-CD1 3.7Å; G212-I236 PolarHBondContact N-O 3.48Å; T213-I236 PolarHBondContact O-N 3.35Å; I215-I236 HydrophobicContact CD1-CD1 3.76Å; I215-I236 HydrophobicContact CD1-CG1 3.76Å
237K97.1Very high94.5Very high64 Ų6449.6 Ų49.628%0.27825%0.251SS..EExtended strand (participates in β ladder)trans-126.5135.4174.8-71.3-61.1-169.7172.30110.1E164 L165 R166 V167 E211 V235 K239E164-K237 HydrophobicContact CB-CG 4.22Å; E164-K237 HydrophobicContact CG-CG 4.22Å; L165-K237 PolarHBondContact O-N 2.93Å; R166-K237 CarbonylContact C-O 3.59Å; R166-K237 VanDerWaalsContact CA-O 3.29Å; R166-K237 WeakPolarHBondContact CA-O 3.31Å; R166-K237 HydrophobicContact CG-CB 4.34Å; V167-K237 PolarHBondContact N-O 3.28Å; E211-K237 HydrophobicContact CG-CD 4.01Å; E211-K237 WeakPolarHBondContact OE1-CD 3.21Å; E211-K237 IonicContact OE1-NZ 2.63Å; E211-K237 PolarHBondContact OE1-NZ 3.41Å; V235-K237 PolarHBondContact O-N 3.05Å; K237-K239 PolarHBondContact O-N 2.96Å
238D96.1Very high95.1Very high32 Ų3249.7 Ų49.717%0.17126%0.261CS..EExtended strand (participates in β ladder)trans-71.1132.7175.4-69.2-19.2000109.5R246D238-R246 IonicContact OD1-NH1 3.01Å; D238-R246 PolarHBondContact OD1-NH1 2.8Å; D238-R246 WeakPolarHBondContact OD2-CD 3.48Å; D238-R246 IonicContact OD2-NE 3.93Å; D238-R246 IonicContact OD2-NH1 3.59Å
239K96.6Very high95.4Very high119 Ų11948.4 Ų48.452%0.51726%0.255SS..PPolyproline II helixtrans-74.1135.9168.9-169-178.8-178.9-179.10108.4V167 T168 K237 H241V167-K239 PolarHBondContact O-N 3.03Å; T168-K239 HydrophobicContact CG2-CB 4.43Å; T168-K239 HydrophobicContact CG2-CD 3.92Å; K237-K239 PolarHBondContact O-N 2.96Å; K239-H241 PolarHBondContact O-N 2.87Å
240P95.8Very high95.7Very high116 Ų11650 Ų5075%0.75326%0.263SS*.PPolyproline II helixtrans-52.8130.6172.3-26.834.8000111.1
241H95.6Very high95.9Very high44 Ų4449.8 Ų49.820%0.20426%0.261CS..  trans-110.4139.5-178.9-175-80.9000110.1L169 E170 K239 H243 F244L169-H241 HydrophobicContact CD1-CB 3.9Å; L169-H241 HydrophobicContact CG-CB 4.43Å; E170-H241 IonicContact OE1-CD2 3.45Å; E170-H241 PolarHBondContact OE1-CD2 3.27Å; E170-H241 IonicContact OE1-NE2 2.66Å; E170-H241 PolarHBondContact OE1-NE2 2.89Å; K239-H241 PolarHBondContact O-N 2.87Å; H241-H243 VanDerWaalsContact C-N 3.33Å; H241-H243 PolarHBondContact ND1-N 2.87Å; H241-H243 PolarHBondContact O-N 2.86Å; H241-F244 HydrophobicContact CB-CB 4.41Å; H241-F244 AromaticContact CE1-CD2 3.06Å; H241-F244 WeakPolarHBondContact CE1-CD2 3.27Å; H241-F244 AromaticContact CE1-CE2 3.56Å; H241-F244 AromaticContact CE1-CG 3.94Å; H241-F244 AromaticContact CG-CD2 3.94Å; H241-F244 AromaticContact ND1-CD2 3.2Å; H241-F244 WeakPolarHBondContact ND1-CD2 3.43Å; H241-F244 AromaticContact ND1-CG 3.68Å; H241-F244 PolarHBondContact ND1-N 3.48Å; H241-F244 AromaticContact NE2-CD2 3.7Å
242P93.2Very high96Very high109 Ų10948.2 Ų48.271%0.70825%0.253SS*.SBendtrans-64.1-31.6-175.122.6-35.1000114.8
243H92.1Very high96Very high103 Ų10349.8 Ų49.848%0.47726%0.259SS..SBendtrans-120.2-8-172.9-56.6-61.8000114.9H241 Y253 P254H241-H243 VanDerWaalsContact C-N 3.33Å; H241-H243 PolarHBondContact ND1-N 2.87Å; H241-H243 PolarHBondContact O-N 2.86Å; H243-Y253 HydrophobicContact CB-CD2 4.29Å; H243-Y253 HydrophobicContact CB-CE2 3.84Å; H243-Y253 WeakPolarHBondContact O-CD2 3.02Å; H243-P254 WeakPolarHBondContact O-CD 3.12Å
244F95.7Very high95.9Very high20 Ų2052.4 Ų52.49%0.08828%0.276CS..  trans-132.3143.4-170.9-60-63.8000109.5L169 H241 I251 V252 Y253 S271 I273 L311L169-F244 HydrophobicContact CD1-CB 3.73Å; H241-F244 HydrophobicContact CB-CB 4.41Å; H241-F244 AromaticContact CE1-CD2 3.06Å; H241-F244 WeakPolarHBondContact CE1-CD2 3.27Å; H241-F244 AromaticContact CE1-CE2 3.56Å; H241-F244 AromaticContact CE1-CG 3.94Å; H241-F244 AromaticContact CG-CD2 3.94Å; H241-F244 AromaticContact ND1-CD2 3.2Å; H241-F244 WeakPolarHBondContact ND1-CD2 3.43Å; H241-F244 AromaticContact ND1-CG 3.68Å; H241-F244 PolarHBondContact ND1-N 3.48Å; H241-F244 AromaticContact NE2-CD2 3.7Å; F244-I251 HydrophobicContact CB-CG2 4.31Å; F244-V252 CarbonylContact C-O 3.08Å; F244-V252 VanDerWaalsContact CA-O 3.31Å; F244-V252 WeakPolarHBondContact CA-O 3.35Å; F244-Y253 AromaticContact CD1-CD2 3.73Å; F244-Y253 HydrophobicContact CD1-CD2 3.73Å; F244-Y253 HydrophobicContact CD1-CG 4.48Å; F244-Y253 AromaticContact CE1-CD2 3.43Å; F244-Y253 HydrophobicContact CE1-CD2 3.43Å; F244-Y253 VanDerWaalsContact CE1-CD2 3.43Å; F244-Y253 HydrophobicContact CE1-CE2 4.17Å; F244-Y253 HydrophobicContact CE1-CG 4.41Å; F244-Y253 HydrophobicContact CZ-CD2 4.22Å; F244-S271 VanDerWaalsContact CE1-O 3.26Å; F244-S271 WeakPolarHBondContact CE1-O 3.39Å; F244-S271 WeakPolarHBondContact CZ-O 3.2Å; F244-I273 HydrophobicContact CD2-CD1 3.86Å; F244-I273 HydrophobicContact CE2-CD1 3.83Å; F244-L311 HydrophobicContact CD1-CD1 4.33Å; F244-L311 HydrophobicContact CE1-CD1 4.04Å
245R95.3Very high95.8Very high126 Ų12653 Ų5348%0.47528%0.28SS..EExtended strand (participates in β ladder)trans-119.6128.2166.3-178.5178.369.5-142.4-4.5108.2V252 E314R245-V252 HydrophobicContact CB-CB 4.3Å; R245-V252 PolarHBondContact N-O 3.47Å; R245-V252 PolarHBondContact O-N 3.26Å; R245-E314 IonicContact CZ-OE2 2.91Å; R245-E314 IonicContact NH1-OE2 2.77Å; R245-E314 IonicContact NH2-OE2 2.66Å; R245-E314 PolarHBondContact NH2-OE2 2.78Å
246R95.8Very high95.6Very high36 Ų3660.9 Ų60.914%0.13631%0.307CS..EExtended strand (participates in β ladder)trans-75.6138.3178-168.3-174.4-175.5161.53.7111L169 W209 D238 G248 L299L169-R246 HydrophobicContact CD2-CB 3.96Å; L169-R246 HydrophobicContact CD2-CG 4.32Å; W209-R246 VanDerWaalsContact O-CZ 3.31Å; W209-R246 PolarHBondContact O-NH1 2.98Å; W209-R246 PolarHBondContact O-NH2 2.78Å; D238-R246 IonicContact OD1-NH1 3.01Å; D238-R246 PolarHBondContact OD1-NH1 2.8Å; D238-R246 WeakPolarHBondContact OD2-CD 3.48Å; D238-R246 IonicContact OD2-NE 3.93Å; D238-R246 IonicContact OD2-NH1 3.59Å; R246-G248 PolarHBondContact NE-O 2.85Å; R246-L299 HydrophobicContact CG-CD1 3.85Å
247E95.5Very high95.6Very high91 Ų9161.1 Ų61.143%0.42531%0.309SS..EExtended strand (participates in β ladder)trans-133.585.3170.5-165.9176.4156.700108.6S249 N250 V252 R291E247-S249 PolarHBondContact O-N 2.91Å; E247-N250 CarbonylContact C-O 3.6Å; E247-N250 PolarHBondContact N-O 2.76Å; E247-N250 WeakPolarHBondContact O-CB 3.29Å; E247-N250 PolarHBondContact O-N 2.91Å; E247-V252 HydrophobicContact CB-CG2 4.07Å; E247-R291 IonicContact OE1-NH1 3.97Å; E247-R291 IonicContact OE2-NH1 3.25Å; E247-R291 PolarHBondContact OE2-NH1 3.46Å
248G93.9Very high95.6Very high44 Ų4460.3 Ų60.345%0.45431%0.311SS..THydrogen-bonded Turntrans66.7-113.7-173.500000112.4R246R246-G248 PolarHBondContact NE-O 2.85Å
249S95.7Very high95.5Very high17 Ų1760.5 Ų60.512%0.11931%0.312CS..THydrogen-bonded Turntrans-97.3-5.7171.9-70.20000112.8E247 L299E247-S249 PolarHBondContact O-N 2.91Å; S249-L299 PolarHBondContact O-N 2.65Å
250N97.1Very high95.4Very high50 Ų5064.3 Ų64.327%0.26732%0.323SS..EExtended strand (participates in β ladder)trans-87.4156.4173.2-60.3-18.6000109.6E247 G309 D310 V312E247-N250 CarbonylContact C-O 3.6Å; E247-N250 PolarHBondContact N-O 2.76Å; E247-N250 WeakPolarHBondContact O-CB 3.29Å; E247-N250 PolarHBondContact O-N 2.91Å; N250-G309 WeakPolarHBondContact OD1-CA 3.48Å; N250-D310 VanDerWaalsContact CA-O 3.23Å; N250-D310 WeakPolarHBondContact CA-O 3.35Å; N250-D310 WeakPolarHBondContact CB-O 2.92Å; N250-D310 PolarHBondContact OD1-N 2.59Å; N250-V312 HydrophobicContact CB-CG2 4.29Å
251I96.4Very high95.4Very high0 Ų062.8 Ų62.80%031%0.306CS..EExtended strand (participates in β ladder)trans-123.4130.1171.622174.9000108.3L169 F244 I273 Q297 L299 D310 L311 V312L169-I251 HydrophobicContact CD1-CG2 4.05Å; F244-I251 HydrophobicContact CB-CG2 4.31Å; I251-I273 HydrophobicContact CD1-CB 3.7Å; I251-I273 HydrophobicContact CD1-CG2 3.72Å; I251-Q297 WeakPolarHBondContact CD1-O 3.44Å; I251-L299 HydrophobicContact CG2-CG 4.33Å; I251-D310 PolarHBondContact N-O 2.75Å; I251-L311 HydrophobicContact CD1-CD1 4.4Å; I251-L311 HydrophobicContact CG1-CD1 4.26Å; I251-L311 CarbonylContact O-C 3.56Å; I251-L311 WeakPolarHBondContact O-CA 3.47Å; I251-V312 PolarHBondContact O-N 3.07Å
252V97.3Very high95.5Very high0 Ų060.8 Ų60.80%030%0.297CS..EExtended strand (participates in β ladder)trans-96.1125.8178.9-174.80000108.6F244 R245 E247 V312 E314F244-V252 CarbonylContact C-O 3.08Å; F244-V252 VanDerWaalsContact CA-O 3.31Å; F244-V252 WeakPolarHBondContact CA-O 3.35Å; R245-V252 HydrophobicContact CB-CB 4.3Å; R245-V252 PolarHBondContact N-O 3.47Å; R245-V252 PolarHBondContact O-N 3.26Å; E247-V252 HydrophobicContact CB-CG2 4.07Å; V252-V312 CarbonylContact C-O 3.28Å; V252-V312 VanDerWaalsContact CA-O 3.22Å; V252-V312 WeakPolarHBondContact CA-O 3.5Å; V252-V312 HydrophobicContact CG2-CB 4.25Å; V252-E314 HydrophobicContact CG1-CB 3.74Å; V252-E314 WeakPolarHBondContact CG1-OE2 3.4Å
253Y96.4Very high95.5Very high42 Ų4258.8 Ų58.817%0.16528%0.28CS..EExtended strand (participates in β ladder)trans-108.2103.6173-170.8-77.3000108.8H243 F244 V255 V270 V312 V313 E314H243-Y253 HydrophobicContact CB-CD2 4.29Å; H243-Y253 HydrophobicContact CB-CE2 3.84Å; H243-Y253 WeakPolarHBondContact O-CD2 3.02Å; F244-Y253 AromaticContact CD1-CD2 3.73Å; F244-Y253 HydrophobicContact CD1-CD2 3.73Å; F244-Y253 HydrophobicContact CD1-CG 4.48Å; F244-Y253 AromaticContact CE1-CD2 3.43Å; F244-Y253 HydrophobicContact CE1-CD2 3.43Å; F244-Y253 VanDerWaalsContact CE1-CD2 3.43Å; F244-Y253 HydrophobicContact CE1-CE2 4.17Å; F244-Y253 HydrophobicContact CE1-CG 4.41Å; F244-Y253 HydrophobicContact CZ-CD2 4.22Å; Y253-V255 HydrophobicContact CD1-CG2 3.51Å; Y253-V255 HydrophobicContact CE1-CG2 3.77Å; Y253-V255 PolarHBondContact O-N 3.13Å; Y253-V270 HydrophobicContact CD1-CG1 3.98Å; Y253-V270 HydrophobicContact CD2-CG1 3.9Å; Y253-V270 HydrophobicContact CE1-CG1 4.35Å; Y253-V270 HydrophobicContact CE2-CG1 4.25Å; Y253-V270 HydrophobicContact CG-CG1 3.74Å; Y253-V312 PolarHBondContact N-O 3.17Å; Y253-V313 WeakPolarHBondContact O-CA 3.25Å; Y253-E314 PolarHBondContact O-N 2.92Å
254P95.7Very high95.6Very high65 Ų6558.7 Ų58.742%0.42229%0.289SS..EExtended strand (participates in β ladder)trans-72.5120.2176.128.4-31.7000110.3H243 E314H243-P254 WeakPolarHBondContact O-CD 3.12Å; P254-E314 CarbonylContact C-O 3.6Å; P254-E314 WeakPolarHBondContact CA-O 3.34Å
255V95.2Very high95.5Very high16 Ų1658.7 Ų58.710%0.09730%0.296CS..EExtended strand (participates in β ladder)trans-107121175.4-175.70000108.6Y253 V257 V268 V313 E314 F315 D316Y253-V255 HydrophobicContact CD1-CG2 3.51Å; Y253-V255 HydrophobicContact CE1-CG2 3.77Å; Y253-V255 PolarHBondContact O-N 3.13Å; V255-V257 HydrophobicContact CG1-CG1 3.92Å; V255-V268 HydrophobicContact CB-CG1 4.37Å; V255-V268 HydrophobicContact CG1-CG1 3.63Å; V255-V268 HydrophobicContact CG1-CG2 4.07Å; V255-V268 HydrophobicContact CG2-CG1 3.82Å; V255-V313 HydrophobicContact CB-CG1 4.38Å; V255-V313 HydrophobicContact CG2-CG1 3.35Å; V255-E314 PolarHBondContact N-O 3.16Å; V255-F315 HydrophobicContact CB-CD1 4.21Å; V255-F315 HydrophobicContact CB-CE1 4.29Å; V255-F315 HydrophobicContact CG1-CD1 4.45Å; V255-F315 HydrophobicContact CG1-CE1 4.38Å; V255-D316 PolarHBondContact O-N 2.91Å
256R94.9Very high95.4Very high185 Ų18553.3 Ų53.370%0.69828%0.277SS*.EExtended strand (participates in β ladder)trans-84.4123.6170.2-70.7-179.5172.6166.43.3110.2D316R256-D316 WeakPolarHBondContact CA-O 3.25Å; R256-D316 HydrophobicContact CG-CB 4.14Å; R256-D316 IonicContact NE-OD2 3.69Å
257V95.9Very high95.4Very high4 Ų456 Ų562%0.02430%0.301CS..EExtended strand (participates in β ladder)trans-123143.3174.7-63.60000109.8V255 Q261 I286 F315 D316 V317 N318V255-V257 HydrophobicContact CG1-CG1 3.92Å; V257-Q261 HydrophobicContact CB-CB 4.21Å; V257-I286 HydrophobicContact CG2-CG2 4.46Å; V257-F315 HydrophobicContact CG1-CD1 4.02Å; V257-F315 HydrophobicContact CG1-CE1 4.44Å; V257-F315 HydrophobicContact CG2-CD1 4.41Å; V257-D316 PolarHBondContact N-O 2.58Å; V257-V317 HydrophobicContact CG2-CG2 3.96Å; V257-V317 CarbonylContact O-C 3.52Å; V257-V317 WeakPolarHBondContact O-CA 3.01Å; V257-N318 PolarHBondContact O-N 2.85Å
258S96.8Very high95.2Very high47 Ų4752.2 Ų52.233%0.32928%0.284SS..EExtended strand (participates in β ladder)trans-70156.717261.10000111.5R260 Q261 S262S258-R260 PolarHBondContact O-N 3.46Å; S258-Q261 WeakPolarHBondContact O-CB 3.38Å; S258-Q261 PolarHBondContact O-N 3.41Å; S258-Q261 WeakPolarHBondContact OG-CB 3.36Å; S258-Q261 VanDerWaalsContact OG-CG 3.31Å; S258-Q261 WeakPolarHBondContact OG-CG 3.21Å; S258-Q261 PolarHBondContact OG-N 3.04Å; S258-Q261 PolarHBondContact OG-OE1 2.87Å; S258-S262 PolarHBondContact O-N 3.2Å
259L95.1Very high95.2Very high36 Ų3653.5 Ų53.519%0.18828%0.283CS..Hα-helixtrans-52.7-36.5171.4-178.462.7000113S262 L263 V317 N318 F319L259-S262 WeakPolarHBondContact CA-OG 3.18Å; L259-S262 PolarHBondContact O-N 3.42Å; L259-S262 PolarHBondContact O-OG 3.16Å; L259-L263 HydrophobicContact CD1-CD1 3.94Å; L259-L263 HydrophobicContact CD1-CG 4.16Å; L259-L263 HydrophobicContact CG-CD1 4.05Å; L259-L263 WeakPolarHBondContact O-CG 3.32Å; L259-L263 PolarHBondContact O-N 2.85Å; L259-L263 VanDerWaalsContact O-N 3.13Å; L259-V317 HydrophobicContact CD1-CG1 4.39Å; L259-N318 PolarHBondContact N-O 3.09Å; L259-F319 HydrophobicContact CD1-CD1 4.22Å; L259-F319 HydrophobicContact CD1-CE1 3.65Å; L259-F319 HydrophobicContact CD1-CE2 4.43Å; L259-F319 HydrophobicContact CD1-CZ 3.77Å; L259-F319 HydrophobicContact CD2-CD1 3.77Å; L259-F319 HydrophobicContact CD2-CE1 3.83Å; L259-F319 HydrophobicContact CG-CD1 4.45Å; L259-F319 HydrophobicContact CG-CE1 4.3Å
260R94.2Very high95Very high199 Ų19952.7 Ų52.775%0.75128%0.278SS*.Hα-helixtrans-63.5-47.6175.2179.9-174.9173.4-145.7-0.7111.2S258 S262 L263 C264S258-R260 PolarHBondContact O-N 3.46Å; R260-S262 VanDerWaalsContact C-N 3.3Å; R260-S262 PolarHBondContact O-N 3.41Å; R260-L263 PolarHBondContact O-N 2.91Å; R260-C264 VanDerWaalsContact O-CB 3.27Å; R260-C264 WeakPolarHBondContact O-CB 3.3Å; R260-C264 PolarHBondContact O-N 2.8Å; R260-C264 PolarHBondContact O-SG 3.44Å
261Q95.8Very high94.7Very high84 Ų8452.7 Ų52.739%0.39328%0.282SS..Hα-helixtrans-64.6-35.3178.7-79167.1-32.800112V257 S258 G265 C266V257-Q261 HydrophobicContact CB-CB 4.21Å; S258-Q261 WeakPolarHBondContact O-CB 3.38Å; S258-Q261 PolarHBondContact O-N 3.41Å; S258-Q261 WeakPolarHBondContact OG-CB 3.36Å; S258-Q261 VanDerWaalsContact OG-CG 3.31Å; S258-Q261 WeakPolarHBondContact OG-CG 3.21Å; S258-Q261 PolarHBondContact OG-N 3.04Å; S258-Q261 PolarHBondContact OG-OE1 2.87Å; Q261-G265 CarbonylContact O-C 3.56Å; Q261-G265 WeakPolarHBondContact O-CA 3.44Å; Q261-G265 PolarHBondContact O-N 2.66Å; Q261-G265 VanDerWaalsContact O-N 3.14Å; Q261-C266 HydrophobicContact CB-CB 3.75Å; Q261-C266 HydrophobicContact CG-CB 3.92Å
262S96.5Very high94.5Very high3 Ų352.9 Ų52.92%0.02128%0.283CS..Hα-helixtrans-70.6-31.9178.571.70000112.8S258 L259 R260 V285 I286S258-S262 PolarHBondContact O-N 3.2Å; L259-S262 WeakPolarHBondContact CA-OG 3.18Å; L259-S262 PolarHBondContact O-N 3.42Å; L259-S262 PolarHBondContact O-OG 3.16Å; R260-S262 VanDerWaalsContact C-N 3.3Å; R260-S262 PolarHBondContact O-N 3.41Å; S262-V285 CarbonylContact O-C 3.56Å; S262-V285 VanDerWaalsContact O-CA 3.29Å; S262-V285 WeakPolarHBondContact O-CA 3.38Å; S262-I286 WeakPolarHBondContact CB-O 3.27Å; S262-I286 PolarHBondContact O-N 3.42Å
263L95.1Very high94.3Very high67 Ų6753.6 Ų53.635%0.35129%0.287SS..Hα-helixtrans-89.9-37.3179.8-65.5175.5000113.8L259 R260 V285 L335L259-L263 HydrophobicContact CD1-CD1 3.94Å; L259-L263 HydrophobicContact CD1-CG 4.16Å; L259-L263 HydrophobicContact CG-CD1 4.05Å; L259-L263 WeakPolarHBondContact O-CG 3.32Å; L259-L263 PolarHBondContact O-N 2.85Å; L259-L263 VanDerWaalsContact O-N 3.13Å; R260-L263 PolarHBondContact O-N 2.91Å; L263-V285 HydrophobicContact CD2-CG1 4.01Å; L263-L335 HydrophobicContact CD1-CD2 4.22Å
264C93.5Very high94Very high100 Ų10054 Ų5468%0.67629%0.292SS*.Hα-helixtrans-99.2-1.9-173.5-55.80000113.7R260R260-C264 VanDerWaalsContact O-CB 3.27Å; R260-C264 WeakPolarHBondContact O-CB 3.3Å; R260-C264 PolarHBondContact O-N 2.8Å; R260-C264 PolarHBondContact O-SG 3.44Å
265G93.6Very high93.6Very high21 Ų2153.5 Ų53.522%0.21630%0.299CS..  trans87.6156.5-173.200000113.5Q261 I282Q261-G265 CarbonylContact O-C 3.56Å; Q261-G265 WeakPolarHBondContact O-CA 3.44Å; Q261-G265 PolarHBondContact O-N 2.66Å; Q261-G265 VanDerWaalsContact O-N 3.14Å; G265-I282 CarbonylContact C-O 3.53Å; G265-I282 WeakPolarHBondContact CA-O 3.38Å
266C94Very high93.3Very high13 Ų1358.9 Ų58.99%0.08832%0.321CS..EExtended strand (participates in β ladder)trans-150.9165.3-179.668.70000111.7Q261 I282Q261-C266 HydrophobicContact CB-CB 3.75Å; Q261-C266 HydrophobicContact CG-CB 3.92Å; C266-I282 PolarHBondContact N-O 2.95Å; C266-I282 PolarHBondContact O-N 3.4Å
267S93.8Very high93.2Very high91 Ų9153.7 Ų53.764%0.63631%0.31SS*.EExtended strand (participates in β ladder)trans-113.5125.4168.1-61.70000108.2M280S267-M280 CarbonylContact C-O 3.41Å; S267-M280 WeakPolarHBondContact CA-O 3.48Å
268V93Very high92.8Very high13 Ų1355.2 Ų55.28%0.07932%0.32CS..EExtended strand (participates in β ladder)trans-115.2130.4-178.4-1790000109V255 V270 M280 F315V255-V268 HydrophobicContact CB-CG1 4.37Å; V255-V268 HydrophobicContact CG1-CG1 3.63Å; V255-V268 HydrophobicContact CG1-CG2 4.07Å; V255-V268 HydrophobicContact CG2-CG1 3.82Å; V268-V270 HydrophobicContact CG1-CG2 3.71Å; V268-M280 PolarHBondContact N-O 3.19Å; V268-M280 PolarHBondContact O-N 3.19Å; V268-F315 HydrophobicContact CG2-CE1 4.12Å
269T93.1Very high92.6Very high70 Ų7060 Ų6043%0.42934%0.337SS..EExtended strand (participates in β ladder)trans-100.8117.7174.9-56.70000107.8T277 H279T269-T277 HydrophobicContact CG2-CG2 3.16Å; T269-H279 VanDerWaalsContact CG2-CE1 3.46Å; T269-H279 WeakPolarHBondContact CG2-CE1 3.32Å; T269-H279 PolarHBondContact OG1-CE1 3.2Å; T269-H279 VanDerWaalsContact OG1-CE1 3.22Å; T269-H279 PolarHBondContact OG1-ND1 2.85Å
270V91.7Very high92.4Very high1 Ų159.9 Ų59.91%0.00634%0.336CS..EExtended strand (participates in β ladder)trans-117.3128.2-178.7-172.30000109.3Y253 V268 T277 S278 M280 L311 V313Y253-V270 HydrophobicContact CD1-CG1 3.98Å; Y253-V270 HydrophobicContact CD2-CG1 3.9Å; Y253-V270 HydrophobicContact CE1-CG1 4.35Å; Y253-V270 HydrophobicContact CE2-CG1 4.25Å; Y253-V270 HydrophobicContact CG-CG1 3.74Å; V268-V270 HydrophobicContact CG1-CG2 3.71Å; V270-T277 WeakPolarHBondContact O-CA 3.43Å; V270-S278 PolarHBondContact N-O 2.88Å; V270-S278 PolarHBondContact O-N 2.96Å; V270-M280 HydrophobicContact CG2-CE 3.71Å; V270-L311 HydrophobicContact CG1-CD2 3.68Å; V270-L311 HydrophobicContact CG1-CG 4.44Å; V270-V313 HydrophobicContact CG1-CG2 4.17Å; V270-V313 HydrophobicContact CG2-CG1 4.16Å; V270-V313 HydrophobicContact CG2-CG2 4.02Å
271S91.6Very high92.4Very high49 Ų4958.3 Ų58.334%0.34334%0.335SS..EExtended strand (participates in β ladder)trans-91.4131.6171.7-59.90000109.5F244 K276F244-S271 VanDerWaalsContact CE1-O 3.26Å; F244-S271 WeakPolarHBondContact CE1-O 3.39Å; F244-S271 WeakPolarHBondContact CZ-O 3.2Å; S271-K276 WeakPolarHBondContact CA-O 3.45Å
272S91.6Very high92.3Very high5 Ų554.5 Ų54.54%0.03532%0.317CS..  trans-78.3165.1169162.20000110.3D274 G275 K276 Q297 R308S272-D274 WeakPolarHBondContact CB-OD1 3.31Å; S272-D274 PolarHBondContact O-N 3.15Å; S272-D274 PolarHBondContact OG-OD1 2.82Å; S272-G275 PolarHBondContact O-N 3.26Å; S272-K276 PolarHBondContact N-O 3.06Å; S272-Q297 PolarHBondContact OG-OE1 2.8Å; S272-R308 PolarHBondContact OG-NH2 2.83Å
273I92.8Very high92.2Very high14 Ų1459 Ų597%0.07234%0.344CS..THydrogen-bonded Turntrans-62.2-21.1178.4-166.664.7000113.4L169 E170 F173 F244 I251 G275L169-I273 HydrophobicContact CB-CD1 3.77Å; L169-I273 HydrophobicContact CB-CG1 4.5Å; E170-I273 HydrophobicContact CG-CD1 3.95Å; E170-I273 WeakPolarHBondContact OE1-CD1 3.33Å; F173-I273 HydrophobicContact CB-CG1 4.19Å; F173-I273 HydrophobicContact CD2-CG2 3.46Å; F173-I273 VanDerWaalsContact CD2-CG2 3.46Å; F173-I273 HydrophobicContact CE2-CG2 3.8Å; F173-I273 HydrophobicContact CG-CG1 4.37Å; F173-I273 HydrophobicContact CG-CG2 3.94Å; F173-I273 HydrophobicContact CZ-CG2 4.46Å; F244-I273 HydrophobicContact CD2-CD1 3.86Å; F244-I273 HydrophobicContact CE2-CD1 3.83Å; I251-I273 HydrophobicContact CD1-CB 3.7Å; I251-I273 HydrophobicContact CD1-CG2 3.72Å; I273-G275 VanDerWaalsContact C-N 3.31Å
274D90.3Very high92.1Very high51 Ų5160.7 Ų60.727%0.27335%0.354SS..THydrogen-bonded Turntrans-88.76.317461.6-3.4000113.4F173 S272 K276 R308F173-D274 HydrophobicContact CE1-CB 3.83Å; F173-D274 HydrophobicContact CZ-CB 3.78Å; S272-D274 WeakPolarHBondContact CB-OD1 3.31Å; S272-D274 PolarHBondContact O-N 3.15Å; S272-D274 PolarHBondContact OG-OD1 2.82Å; D274-K276 VanDerWaalsContact C-N 3.29Å; D274-K276 PolarHBondContact O-N 2.86Å; D274-K276 WeakPolarHBondContact OD1-CB 3.23Å; D274-K276 PolarHBondContact OD1-N 3.46Å; D274-R308 IonicContact OD2-CZ 3.2Å; D274-R308 IonicContact OD2-NH1 2.93Å; D274-R308 PolarHBondContact OD2-NH1 2.79Å
275G87.9Confident92.1Very high55 Ų5559.7 Ų59.757%0.56735%0.345SS*.SBendtrans82.3-1.818000000114.6S272 I273S272-G275 PolarHBondContact O-N 3.26Å; I273-G275 VanDerWaalsContact C-N 3.31Å
276K89Confident92.3Very high129 Ų12958.9 Ų58.956%0.56134%0.335SS*.  trans-70.9134.5176.4-67.5-178.2-176.1176.20110.9S271 S272 D274S271-K276 WeakPolarHBondContact CA-O 3.45Å; S272-K276 PolarHBondContact N-O 3.06Å; D274-K276 VanDerWaalsContact C-N 3.29Å; D274-K276 PolarHBondContact O-N 2.86Å; D274-K276 WeakPolarHBondContact OD1-CB 3.23Å; D274-K276 PolarHBondContact OD1-N 3.46Å
277T91.8Very high92.3Very high76 Ų7665 Ų6547%0.46636%0.361SS..EExtended strand (participates in β ladder)trans-99.1132.5179.1-52.50000110.9T269 V270T269-T277 HydrophobicContact CG2-CG2 3.16Å; V270-T277 WeakPolarHBondContact O-CA 3.43Å
278S88.8Confident92.4Very high35 Ų3565 Ų6525%0.24536%0.358CS..EExtended strand (participates in β ladder)trans-116.7128.4173.2-64.20000110V270V270-S278 PolarHBondContact N-O 2.88Å; V270-S278 PolarHBondContact O-N 2.96Å
279H92.6Very high92.5Very high147 Ų14766.4 Ų66.468%0.68138%0.376SS*.EExtended strand (participates in β ladder)trans-98.1121.2174.2-68.8-69.4000110.1T269T269-H279 VanDerWaalsContact CG2-CE1 3.46Å; T269-H279 WeakPolarHBondContact CG2-CE1 3.32Å; T269-H279 PolarHBondContact OG1-CE1 3.2Å; T269-H279 VanDerWaalsContact OG1-CE1 3.22Å; T269-H279 PolarHBondContact OG1-ND1 2.85Å
280M89.9Confident92.6Very high35 Ų3565.9 Ų65.917%0.17237%0.369CS..EExtended strand (participates in β ladder)trans-116.8117.1178.6-62.3-170.2-62.300110S267 V268 V270 V294 V313S267-M280 CarbonylContact C-O 3.41Å; S267-M280 WeakPolarHBondContact CA-O 3.48Å; V268-M280 PolarHBondContact N-O 3.19Å; V268-M280 PolarHBondContact O-N 3.19Å; V270-M280 HydrophobicContact CG2-CE 3.71Å; M280-V294 HydrophobicContact SD-CG2 3.81Å; M280-V313 HydrophobicContact CE-CB 4Å; M280-V313 HydrophobicContact CE-CG1 3.85Å; M280-V313 HydrophobicContact CE-CG2 3.68Å
281K93.7Very high92.8Very high165 Ų16571.2 Ų71.272%0.71739%0.389SS*.EExtended strand (participates in β ladder)trans-89124.6169.4-172.2176.5-179.3-178.80109
282I94.1Very high93Very high4 Ų472.2 Ų72.22%0.02139%0.387CS..EExtended strand (participates in β ladder)trans-118.2114.5-180-55.7172.5000107.4G265 C266 I286 K292 F315G265-I282 CarbonylContact C-O 3.53Å; G265-I282 WeakPolarHBondContact CA-O 3.38Å; C266-I282 PolarHBondContact N-O 2.95Å; C266-I282 PolarHBondContact O-N 3.4Å; I282-I286 HydrophobicContact CB-CD1 4.28Å; I282-I286 HydrophobicContact CD1-CD1 4.02Å; I282-I286 HydrophobicContact CG2-CD1 3.85Å; I282-I286 HydrophobicContact CG2-CG1 3.77Å; I282-K292 HydrophobicContact CD1-CD 4.47Å; I282-F315 HydrophobicContact CD1-CE1 3.61Å; I282-F315 HydrophobicContact CD1-CE2 4.06Å; I282-F315 HydrophobicContact CD1-CZ 3.21Å
283T93.8Very high93.2Very high97 Ų9777.4 Ų77.460%0.59541%0.413SS*.  trans-97-25.1177.448.20000112.3
284D93.1Very high93.3Very high103 Ų10378 Ų7855%0.55142%0.418SS*.SBendtrans-78.1160.4-178-48-46.5000112I286D284-I286 PolarHBondContact O-N 3.26Å
285V94.9Very high93.5Very high80 Ų8079.1 Ų79.149%0.48543%0.434SS..PPolyproline II helixtrans-65.5122.7176.7177.40000110.8S262 L263S262-V285 CarbonylContact O-C 3.56Å; S262-V285 VanDerWaalsContact O-CA 3.29Å; S262-V285 WeakPolarHBondContact O-CA 3.38Å; L263-V285 HydrophobicContact CD2-CG1 4.01Å
286I96.3Very high93.8Very high4 Ų477.9 Ų77.92%0.02142%0.421CS..PPolyproline II helixtrans-88.5124.2177.2-57.6172.7000109.4V257 S262 I282 D284 M290 F315 V317V257-I286 HydrophobicContact CG2-CG2 4.46Å; S262-I286 WeakPolarHBondContact CB-O 3.27Å; S262-I286 PolarHBondContact O-N 3.42Å; I282-I286 HydrophobicContact CB-CD1 4.28Å; I282-I286 HydrophobicContact CD1-CD1 4.02Å; I282-I286 HydrophobicContact CG2-CD1 3.85Å; I282-I286 HydrophobicContact CG2-CG1 3.77Å; D284-I286 PolarHBondContact O-N 3.26Å; I286-M290 HydrophobicContact CG2-CB 4.36Å; I286-M290 HydrophobicContact CG2-SD 4.31Å; I286-F315 HydrophobicContact CD1-CD1 4Å; I286-F315 HydrophobicContact CD1-CE1 4.07Å; I286-F315 HydrophobicContact CG2-CB 3.38Å; I286-F315 HydrophobicContact CG2-CD1 3.92Å; I286-F315 HydrophobicContact CG2-CD2 4.08Å; I286-F315 HydrophobicContact CG2-CG 3.51Å; I286-V317 HydrophobicContact CG2-CG2 4.37Å
287K95Very high94.1Very high142 Ų14273.6 Ų73.662%0.61740%0.403SS*.PPolyproline II helixtrans-90.4148.8174-62.1179.4-178.6179.40110.3G289 M290K287-G289 PolarHBondContact O-N 2.77Å; K287-M290 HydrophobicContact CB-CB 4.38Å; K287-M290 HydrophobicContact CB-CE 4.34Å; K287-M290 HydrophobicContact CG-CE 4.25Å; K287-M290 WeakPolarHBondContact O-CB 3.41Å; K287-M290 PolarHBondContact O-N 2.84Å
288P95.5Very high94.3Very high89 Ų8970 Ų7058%0.57838%0.381SS*.THydrogen-bonded Turntrans-54.4131.7169.1-20.429.8000111M290 V317P288-M290 PolarHBondContact O-N 2.86Å; P288-V317 HydrophobicContact CB-CB 4.47Å; P288-V317 HydrophobicContact CB-CG2 4.41Å; P288-V317 HydrophobicContact CG-CB 4.08Å; P288-V317 HydrophobicContact CG-CG2 4.12Å
289G94.3Very high94.7Very high44 Ų4468.3 Ų68.345%0.45437%0.369SS..THydrogen-bonded Turntrans74.53.9-17700000114.8K287 R291 F315K287-G289 PolarHBondContact O-N 2.77Å; G289-R291 PolarHBondContact O-N 2.8Å; G289-F315 PolarHBondContact N-O 2.81Å
290M96.2Very high94.9Very high59 Ų5961.3 Ų61.329%0.29134%0.337SS..  trans-57.4140171.9179.4178.7-82.200109.5I286 K287 P288 F315I286-M290 HydrophobicContact CG2-CB 4.36Å; I286-M290 HydrophobicContact CG2-SD 4.31Å; K287-M290 HydrophobicContact CB-CB 4.38Å; K287-M290 HydrophobicContact CB-CE 4.34Å; K287-M290 HydrophobicContact CG-CE 4.25Å; K287-M290 WeakPolarHBondContact O-CB 3.41Å; K287-M290 PolarHBondContact O-N 2.84Å; P288-M290 PolarHBondContact O-N 2.86Å; M290-F315 HydrophobicContact CB-CD2 4.38Å; M290-F315 HydrophobicContact CG-CD2 4.45Å; M290-F315 WeakPolarHBondContact O-CD2 3.46Å; M290-F315 PolarHBondContact O-N 2.79Å
291R96.3Very high95.1Very high113 Ų11362.1 Ų62.143%0.42634%0.342SS..EExtended strand (participates in β ladder)trans-118.9133.4178.8-66.5178176.9-153.8-1.8110E247 G289 V312 V313 E314E247-R291 IonicContact OE1-NH1 3.97Å; E247-R291 IonicContact OE2-NH1 3.25Å; E247-R291 PolarHBondContact OE2-NH1 3.46Å; G289-R291 PolarHBondContact O-N 2.8Å; R291-V312 HydrophobicContact CB-CG1 3.94Å; R291-V312 HydrophobicContact CG-CG1 3.99Å; R291-V313 CarbonylContact C-O 3.2Å; R291-V313 WeakPolarHBondContact CA-O 3.39Å; R291-E314 HydrophobicContact CG-CB 4.33Å; R291-E314 HydrophobicContact CG-CG 4.33Å; R291-E314 IonicContact CZ-OE1 3.43Å; R291-E314 IonicContact NE-OE1 3.61Å; R291-E314 PolarHBondContact NE-OE1 2.73Å; R291-E314 IonicContact NH2-OE1 3.2Å; R291-E314 PolarHBondContact NH2-OE1 2.85Å; R291-E314 IonicContact NH2-OE2 2.82Å
292K95.1Very high95Very high69 Ų6956.8 Ų56.830%0.332%0.324SS..EExtended strand (participates in β ladder)trans-117.3141.4166.4-72-154.5175.1-1690110I282 V313 F315I282-K292 HydrophobicContact CD1-CD 4.47Å; K292-V313 PolarHBondContact N-O 3.47Å; K292-V313 PolarHBondContact O-N 2.99Å; K292-F315 HydrophobicContact CB-CE2 4.18Å; K292-F315 HydrophobicContact CG-CE2 4.04Å
293I95.9Very high94.8Very high114 Ų11466.5 Ų66.559%0.58537%0.366SS*.EExtended strand (participates in β ladder)trans-104.6129.4-173.8-60176.4000108.9D310I293-D310 HydrophobicContact CG2-CB 3.7Å
294V94.6Very high94.8Very high27 Ų2764.8 Ų64.816%0.16435%0.353CS..EExtended strand (participates in β ladder)trans-107.2102.5165-170.70000107.2M280 Q297 L311 V313M280-V294 HydrophobicContact SD-CG2 3.81Å; V294-Q297 HydrophobicContact CB-CG 4.4Å; V294-Q297 HydrophobicContact CG1-CB 4.28Å; V294-Q297 HydrophobicContact CG1-CG 3.64Å; V294-L311 HydrophobicContact CB-CB 4.21Å; V294-L311 HydrophobicContact CB-CD2 4.5Å; V294-L311 PolarHBondContact N-O 3.41Å; V294-L311 PolarHBondContact O-N 2.83Å; V294-V313 HydrophobicContact CG2-CG2 4.27Å
295A94.8Very high94.7Very high75 Ų7562 Ų6262%0.6234%0.341SS*.THydrogen-bonded Turntrans-63.2139.4-169.400000112.4Q297 D310A295-Q297 PolarHBondContact O-N 3.42Å; A295-D310 VanDerWaalsContact CA-OD1 3.27Å; A295-D310 WeakPolarHBondContact CA-OD1 3.47Å
296G94.2Very high94.6Very high29 Ų2964.9 Ų64.930%0.29935%0.353SS..THydrogen-bonded Turntrans6911.5174.500000115.3R308 G309 D310G296-R308 WeakPolarHBondContact O-CB 3.47Å; G296-R308 WeakPolarHBondContact O-CD 3.35Å; G296-R308 PolarHBondContact O-NE 2.93Å; G296-G309 CarbonylContact C-O 3.59Å; G296-G309 VanDerWaalsContact C-O 3.28Å; G296-G309 WeakPolarHBondContact CA-O 3.32Å; G296-G309 PolarHBondContact N-O 3.12Å; G296-D310 PolarHBondContact N-OD1 2.9Å
297Q95.2Very high94.6Very high39 Ų3970 Ų7018%0.18238%0.377CS..  trans-10014.4176.8-63.2-57.7-53.100113.1I251 S272 V294 A295 R308 G309 L311I251-Q297 WeakPolarHBondContact CD1-O 3.44Å; S272-Q297 PolarHBondContact OG-OE1 2.8Å; V294-Q297 HydrophobicContact CB-CG 4.4Å; V294-Q297 HydrophobicContact CG1-CB 4.28Å; V294-Q297 HydrophobicContact CG1-CG 3.64Å; A295-Q297 PolarHBondContact O-N 3.42Å; Q297-R308 PolarHBondContact O-NH2 2.75Å; Q297-G309 PolarHBondContact N-O 3.04Å; Q297-L311 HydrophobicContact CB-CB 3.59Å; Q297-L311 HydrophobicContact CB-CD2 4.21Å
298G95.8Very high94.6Very high0 Ų065.6 Ų65.60%036%0.357CS..SBendtrans-84.4-158.7177.800000114.7R308 G309 D310G298-R308 VanDerWaalsContact O-CZ 3.3Å; G298-R308 PolarHBondContact O-NE 2.82Å; G298-R308 PolarHBondContact O-NH2 2.8Å; G298-G309 VanDerWaalsContact CA-C 3.48Å; G298-G309 VanDerWaalsContact CA-O 3.23Å; G298-G309 WeakPolarHBondContact CA-O 3.5Å; G298-G309 PolarHBondContact N-O 2.66Å; G298-D310 WeakPolarHBondContact CA-O 3.27Å
299L96.8Very high94.7Very high0 Ų061.7 Ų61.70%033%0.332CS..PPolyproline II helixtrans-82.1155.8171.2-66.4173.5000111.1L169 V172 F173 R246 S249 I251 R308 G309L169-L299 HydrophobicContact CD2-CD1 4.41Å; V172-L299 HydrophobicContact CG1-CD1 4.39Å; F173-L299 HydrophobicContact CB-CD2 4.07Å; F173-L299 HydrophobicContact CD2-CD2 4.41Å; R246-L299 HydrophobicContact CG-CD1 3.85Å; S249-L299 PolarHBondContact O-N 2.65Å; I251-L299 HydrophobicContact CG2-CG 4.33Å; L299-R308 CarbonylContact O-C 3.51Å; L299-R308 WeakPolarHBondContact O-CA 3.45Å; L299-G309 PolarHBondContact O-N 3.22Å
300P97.3Very high94.8Very high0 Ų061.8 Ų61.80%032%0.322CS..EExtended strand (participates in β ladder)trans-56.2146.7173-25.235.1000112.3F173 R207 G208 P305 Q307F173-P300 HydrophobicContact CD2-CG 4.15Å; F173-P300 HydrophobicContact CE2-CG 4.41Å; R207-P300 HydrophobicContact CB-CB 4.31Å; R207-P300 HydrophobicContact CB-CG 4.31Å; G208-P300 WeakPolarHBondContact CA-O 3.25Å; P300-P305 HydrophobicContact CB-CB 4.43Å; P300-Q307 WeakPolarHBondContact CA-O 3.44Å
301L95.1Very high94.8Very high52 Ų5259 Ų5927%0.27231%0.309SS..EExtended strand (participates in β ladder)trans-77.5131.2172.6-58.8-180000109.5K303 N304 P305 Q307L301-K303 PolarHBondContact O-N 2.84Å; L301-K303 VanDerWaalsContact O-N 3.12Å; L301-N304 WeakPolarHBondContact CB-O 3.38Å; L301-N304 CarbonylContact O-C 3.57Å; L301-N304 PolarHBondContact O-N 3.08Å; L301-P305 WeakPolarHBondContact O-CA 3.3Å; L301-Q307 HydrophobicContact CD1-CB 3.81Å; L301-Q307 HydrophobicContact CG-CB 4.3Å; L301-Q307 PolarHBondContact N-O 2.78Å
302P90.7Very high94.9Very high52 Ų5254.2 Ų54.234%0.33829%0.292SS..THydrogen-bonded Turntrans-57.5-33.1-176.3-14.212.8000114.6G208 K210G208-P302 VanDerWaalsContact O-CG 3.31Å; G208-P302 WeakPolarHBondContact O-CG 3.35Å; K210-P302 HydrophobicContact CG-CG 4.1Å
303K90.7Very high94.9Very high209 Ų20950.9 Ų50.991%0.90928%0.278SS*.THydrogen-bonded Turntrans-86.4-24.1-179.9-66.5-173.5177.9-176.90113.1L301L301-K303 PolarHBondContact O-N 2.84Å; L301-K303 VanDerWaalsContact O-N 3.12Å
304N92.9Very high95Very high60 Ų6047 Ų4732%0.32126%0.257SS..EExtended strand (participates in β ladder)trans-141.982.8-179.5-171.1-6.8000109.2L301 D306 Q307L301-N304 WeakPolarHBondContact CB-O 3.38Å; L301-N304 CarbonylContact O-C 3.57Å; L301-N304 PolarHBondContact O-N 3.08Å; N304-D306 PolarHBondContact O-N 2.91Å; N304-D306 VanDerWaalsContact O-N 3.11Å; N304-Q307 PolarHBondContact ND2-NE2 3.02Å; N304-Q307 VanDerWaalsContact ND2-NE2 3.12Å; N304-Q307 PolarHBondContact O-N 2.83Å
305P91.4Very high95.1Very high45 Ų4545.8 Ų45.829%0.29225%0.249SC..EExtended strand (participates in β ladder)trans-65.6-13-172.5-23.635.5000115.1R207 P300 L301 Q307R207-P305 HydrophobicContact CB-CB 4.3Å; R207-P305 PolarHBondContact NH2-O 3.02Å; P300-P305 HydrophobicContact CB-CB 4.43Å; L301-P305 WeakPolarHBondContact O-CA 3.3Å; P305-Q307 VanDerWaalsContact C-N 3.32Å
306D92.8Very high95.1Very high140 Ų14045.5 Ų45.575%0.74924%0.237SC*.EExtended strand (participates in β ladder)trans-78-23.5175.3-59.6-39.5000111.8N304N304-D306 PolarHBondContact O-N 2.91Å; N304-D306 VanDerWaalsContact O-N 3.11Å
307Q95.6Very high95.2Very high112 Ų11244.7 Ų44.752%0.52323%0.226SC..EExtended strand (participates in β ladder)trans-93.4149.2170.8-66.1-176.519.400110.7P300 L301 N304 P305P300-Q307 WeakPolarHBondContact CA-O 3.44Å; L301-Q307 HydrophobicContact CD1-CB 3.81Å; L301-Q307 HydrophobicContact CG-CB 4.3Å; L301-Q307 PolarHBondContact N-O 2.78Å; N304-Q307 PolarHBondContact ND2-NE2 3.02Å; N304-Q307 VanDerWaalsContact ND2-NE2 3.12Å; N304-Q307 PolarHBondContact O-N 2.83Å; P305-Q307 VanDerWaalsContact C-N 3.32Å
308R96.1Very high95.3Very high50 Ų5046.4 Ų46.419%0.18924%0.237CC..EExtended strand (participates in β ladder)trans-121.9151.6-179.8-65.7172.764.6179.9-0.5109.7S272 D274 G296 Q297 G298 L299S272-R308 PolarHBondContact OG-NH2 2.83Å; D274-R308 IonicContact OD2-CZ 3.2Å; D274-R308 IonicContact OD2-NH1 2.93Å; D274-R308 PolarHBondContact OD2-NH1 2.79Å; G296-R308 WeakPolarHBondContact O-CB 3.47Å; G296-R308 WeakPolarHBondContact O-CD 3.35Å; G296-R308 PolarHBondContact O-NE 2.93Å; Q297-R308 PolarHBondContact O-NH2 2.75Å; G298-R308 VanDerWaalsContact O-CZ 3.3Å; G298-R308 PolarHBondContact O-NE 2.82Å; G298-R308 PolarHBondContact O-NH2 2.8Å; L299-R308 CarbonylContact O-C 3.51Å; L299-R308 WeakPolarHBondContact O-CA 3.45Å
309G96.3Very high95.3Very high6 Ų652.7 Ų52.76%0.06227%0.265CS..  trans-69-161.8161.200000111.2N250 G296 Q297 G298 L299N250-G309 WeakPolarHBondContact OD1-CA 3.48Å; G296-G309 CarbonylContact C-O 3.59Å; G296-G309 VanDerWaalsContact C-O 3.28Å; G296-G309 WeakPolarHBondContact CA-O 3.32Å; G296-G309 PolarHBondContact N-O 3.12Å; Q297-G309 PolarHBondContact N-O 3.04Å; G298-G309 VanDerWaalsContact CA-C 3.48Å; G298-G309 VanDerWaalsContact CA-O 3.23Å; G298-G309 WeakPolarHBondContact CA-O 3.5Å; G298-G309 PolarHBondContact N-O 2.66Å; L299-G309 PolarHBondContact O-N 3.22Å
310D96.8Very high95.1Very high47 Ų4755.6 Ų55.625%0.25128%0.283SS..  trans-110.6156.9-174.1-57.5-39.8000113.1N250 I251 I293 A295 G296 G298N250-D310 VanDerWaalsContact CA-O 3.23Å; N250-D310 WeakPolarHBondContact CA-O 3.35Å; N250-D310 WeakPolarHBondContact CB-O 2.92Å; N250-D310 PolarHBondContact OD1-N 2.59Å; I251-D310 PolarHBondContact N-O 2.75Å; I293-D310 HydrophobicContact CG2-CB 3.7Å; A295-D310 VanDerWaalsContact CA-OD1 3.27Å; A295-D310 WeakPolarHBondContact CA-OD1 3.47Å; G296-D310 PolarHBondContact N-OD1 2.9Å; G298-D310 WeakPolarHBondContact CA-O 3.27Å
311L96.9Very high95Very high0 Ų065 Ų650%033%0.327CS..EExtended strand (participates in β ladder)trans-92.7117.8165177.465.2000108.4F244 I251 V270 V294 Q297 V313F244-L311 HydrophobicContact CD1-CD1 4.33Å; F244-L311 HydrophobicContact CE1-CD1 4.04Å; I251-L311 HydrophobicContact CD1-CD1 4.4Å; I251-L311 HydrophobicContact CG1-CD1 4.26Å; I251-L311 CarbonylContact O-C 3.56Å; I251-L311 WeakPolarHBondContact O-CA 3.47Å; V270-L311 HydrophobicContact CG1-CD2 3.68Å; V270-L311 HydrophobicContact CG1-CG 4.44Å; V294-L311 HydrophobicContact CB-CB 4.21Å; V294-L311 HydrophobicContact CB-CD2 4.5Å; V294-L311 PolarHBondContact N-O 3.41Å; V294-L311 PolarHBondContact O-N 2.83Å; Q297-L311 HydrophobicContact CB-CB 3.59Å; Q297-L311 HydrophobicContact CB-CD2 4.21Å; L311-V313 HydrophobicContact CG-CG2 4.43Å
312V97.3Very high95Very high12 Ų1268.3 Ų68.37%0.07335%0.35CS..EExtended strand (participates in β ladder)trans-102.4108.7-178.5-177.30000108.4N250 I251 V252 Y253 R291 E314N250-V312 HydrophobicContact CB-CG2 4.29Å; I251-V312 PolarHBondContact O-N 3.07Å; V252-V312 CarbonylContact C-O 3.28Å; V252-V312 VanDerWaalsContact CA-O 3.22Å; V252-V312 WeakPolarHBondContact CA-O 3.5Å; V252-V312 HydrophobicContact CG2-CB 4.25Å; Y253-V312 PolarHBondContact N-O 3.17Å; R291-V312 HydrophobicContact CB-CG1 3.94Å; R291-V312 HydrophobicContact CG-CG1 3.99Å; V312-E314 PolarHBondContact O-N 3.12Å
313V96.5Very high95.2Very high0 Ų068.9 Ų68.90%035%0.35CS..EExtended strand (participates in β ladder)trans-86.7107.9177.9-174.20000108Y253 V255 V270 M280 R291 K292 V294 L311 F315Y253-V313 WeakPolarHBondContact O-CA 3.25Å; V255-V313 HydrophobicContact CB-CG1 4.38Å; V255-V313 HydrophobicContact CG2-CG1 3.35Å; V270-V313 HydrophobicContact CG1-CG2 4.17Å; V270-V313 HydrophobicContact CG2-CG1 4.16Å; V270-V313 HydrophobicContact CG2-CG2 4.02Å; M280-V313 HydrophobicContact CE-CB 4Å; M280-V313 HydrophobicContact CE-CG1 3.85Å; M280-V313 HydrophobicContact CE-CG2 3.68Å; R291-V313 CarbonylContact C-O 3.2Å; R291-V313 WeakPolarHBondContact CA-O 3.39Å; K292-V313 PolarHBondContact N-O 3.47Å; K292-V313 PolarHBondContact O-N 2.99Å; V294-V313 HydrophobicContact CG2-CG2 4.27Å; L311-V313 HydrophobicContact CG-CG2 4.43Å; V313-F315 HydrophobicContact CB-CE2 4.49Å; V313-F315 HydrophobicContact CG1-CE1 4.32Å; V313-F315 HydrophobicContact CG1-CE2 4.02Å; V313-F315 HydrophobicContact CG1-CZ 3.74Å
314E97Very high95.4Very high33 Ų3362.7 Ų62.715%0.15433%0.331CS..EExtended strand (participates in β ladder)trans-100.8123.5-177.3-178.9167.6-132.100109.6R245 V252 Y253 P254 V255 R291 V312R245-E314 IonicContact CZ-OE2 2.91Å; R245-E314 IonicContact NH1-OE2 2.77Å; R245-E314 IonicContact NH2-OE2 2.66Å; R245-E314 PolarHBondContact NH2-OE2 2.78Å; V252-E314 HydrophobicContact CG1-CB 3.74Å; V252-E314 WeakPolarHBondContact CG1-OE2 3.4Å; Y253-E314 PolarHBondContact O-N 2.92Å; P254-E314 CarbonylContact C-O 3.6Å; P254-E314 WeakPolarHBondContact CA-O 3.34Å; V255-E314 PolarHBondContact N-O 3.16Å; R291-E314 HydrophobicContact CG-CB 4.33Å; R291-E314 HydrophobicContact CG-CG 4.33Å; R291-E314 IonicContact CZ-OE1 3.43Å; R291-E314 IonicContact NE-OE1 3.61Å; R291-E314 PolarHBondContact NE-OE1 2.73Å; R291-E314 IonicContact NH2-OE1 3.2Å; R291-E314 PolarHBondContact NH2-OE1 2.85Å; R291-E314 IonicContact NH2-OE2 2.82Å; V312-E314 PolarHBondContact O-N 3.12Å
315F96.6Very high95.5Very high1 Ų162.1 Ų62.10%0.00434%0.339CS..EExtended strand (participates in β ladder)trans-92.4119.5-175.8-66.7-84.4000111.7V255 V257 V268 I282 I286 G289 M290 K292 V313V255-F315 HydrophobicContact CB-CD1 4.21Å; V255-F315 HydrophobicContact CB-CE1 4.29Å; V255-F315 HydrophobicContact CG1-CD1 4.45Å; V255-F315 HydrophobicContact CG1-CE1 4.38Å; V257-F315 HydrophobicContact CG1-CD1 4.02Å; V257-F315 HydrophobicContact CG1-CE1 4.44Å; V257-F315 HydrophobicContact CG2-CD1 4.41Å; V268-F315 HydrophobicContact CG2-CE1 4.12Å; I282-F315 HydrophobicContact CD1-CE1 3.61Å; I282-F315 HydrophobicContact CD1-CE2 4.06Å; I282-F315 HydrophobicContact CD1-CZ 3.21Å; I286-F315 HydrophobicContact CD1-CD1 4Å; I286-F315 HydrophobicContact CD1-CE1 4.07Å; I286-F315 HydrophobicContact CG2-CB 3.38Å; I286-F315 HydrophobicContact CG2-CD1 3.92Å; I286-F315 HydrophobicContact CG2-CD2 4.08Å; I286-F315 HydrophobicContact CG2-CG 3.51Å; G289-F315 PolarHBondContact N-O 2.81Å; M290-F315 HydrophobicContact CB-CD2 4.38Å; M290-F315 HydrophobicContact CG-CD2 4.45Å; M290-F315 WeakPolarHBondContact O-CD2 3.46Å; M290-F315 PolarHBondContact O-N 2.79Å; K292-F315 HydrophobicContact CB-CE2 4.18Å; K292-F315 HydrophobicContact CG-CE2 4.04Å; V313-F315 HydrophobicContact CB-CE2 4.49Å; V313-F315 HydrophobicContact CG1-CE1 4.32Å; V313-F315 HydrophobicContact CG1-CE2 4.02Å; V313-F315 HydrophobicContact CG1-CZ 3.74Å
316D95.6Very high95.7Very high69 Ų6965.4 Ų65.437%0.36935%0.354SS..EExtended strand (participates in β ladder)trans-101.3115.5170.8-175.318000108.6V255 R256 V257V255-D316 PolarHBondContact O-N 2.91Å; R256-D316 WeakPolarHBondContact CA-O 3.25Å; R256-D316 HydrophobicContact CG-CB 4.14Å; R256-D316 IonicContact NE-OD2 3.69Å; V257-D316 PolarHBondContact N-O 2.58Å
317V96.7Very high95.8Very high11 Ų1160.2 Ų60.27%0.06733%0.331CS..EExtended strand (participates in β ladder)trans-96.2110.7-174.9-178.10000109.2V257 L259 I286 P288 F319V257-V317 HydrophobicContact CG2-CG2 3.96Å; V257-V317 CarbonylContact O-C 3.52Å; V257-V317 WeakPolarHBondContact O-CA 3.01Å; L259-V317 HydrophobicContact CD1-CG1 4.39Å; I286-V317 HydrophobicContact CG2-CG2 4.37Å; P288-V317 HydrophobicContact CB-CB 4.47Å; P288-V317 HydrophobicContact CB-CG2 4.41Å; P288-V317 HydrophobicContact CG-CB 4.08Å; P288-V317 HydrophobicContact CG-CG2 4.12Å; V317-F319 HydrophobicContact CB-CE2 4.45Å; V317-F319 HydrophobicContact CG1-CD2 4.32Å; V317-F319 HydrophobicContact CG1-CE2 3.96Å; V317-F319 PolarHBondContact O-N 2.66Å
318N96.3Very high95.7Very high75 Ų7560 Ų6040%0.40133%0.328SS..EExtended strand (participates in β ladder)trans-84116.1177.4-72.40.7000110.4V257 L259V257-N318 PolarHBondContact O-N 2.85Å; L259-N318 PolarHBondContact N-O 3.09Å
319F95.1Very high95.7Very high133 Ų13361.4 Ų61.458%0.58334%0.339SS*.PPolyproline II helixtrans-81.8142.9170.7-76.8-105.1000110.3L259 V317L259-F319 HydrophobicContact CD1-CD1 4.22Å; L259-F319 HydrophobicContact CD1-CE1 3.65Å; L259-F319 HydrophobicContact CD1-CE2 4.43Å; L259-F319 HydrophobicContact CD1-CZ 3.77Å; L259-F319 HydrophobicContact CD2-CD1 3.77Å; L259-F319 HydrophobicContact CD2-CE1 3.83Å; L259-F319 HydrophobicContact CG-CD1 4.45Å; L259-F319 HydrophobicContact CG-CE1 4.3Å; V317-F319 HydrophobicContact CB-CE2 4.45Å; V317-F319 HydrophobicContact CG1-CD2 4.32Å; V317-F319 HydrophobicContact CG1-CE2 3.96Å; V317-F319 PolarHBondContact O-N 2.66Å
320P94.3Very high95.6Very high61 Ų6164.9 Ų64.940%0.39636%0.359SS..PPolyproline II helixtrans-67140.917129.5-33.4000110.1T322 L323P320-T322 VanDerWaalsContact C-N 3.3Å; P320-T322 PolarHBondContact O-N 3.25Å; P320-L323 HydrophobicContact CB-CD2 4.34Å; P320-L323 HydrophobicContact CG-CD1 4.22Å; P320-L323 HydrophobicContact CG-CD2 3.8Å; P320-L323 HydrophobicContact CG-CG 3.92Å
321E95.1Very high95.4Very high197 Ų19765.6 Ų65.692%0.92136%0.362SS*.SBendtrans-65.4-34.9178.7-64.9-179175.600112.3
322T94.4Very high95.2Very high122 Ų12273.2 Ų73.275%0.74840%0.396SS*.  trans-139.6155.5178.862.70000111P320P320-T322 VanDerWaalsContact C-N 3.3Å; P320-T322 PolarHBondContact O-N 3.25Å
323L94.1Very high95.1Very high63 Ų6382.4 Ų82.433%0.3343%0.429SS..  trans-136.1135.9175-74.4171.2000109.2P320 K328 L331P320-L323 HydrophobicContact CB-CD2 4.34Å; P320-L323 HydrophobicContact CG-CD1 4.22Å; P320-L323 HydrophobicContact CG-CD2 3.8Å; P320-L323 HydrophobicContact CG-CG 3.92Å; L323-K328 HydrophobicContact CB-CG 3.93Å; L323-K328 VanDerWaalsContact O-CE 3.23Å; L323-K328 WeakPolarHBondContact O-CE 3.29Å; L323-L331 HydrophobicContact CD1-CD1 3.84Å
324P95.6Very high94.8Very high80 Ų8089.7 Ų89.752%0.51946%0.463SS..  trans-66.5152.2176.428.7-33.6000110.8N326 A327 K328P324-N326 VanDerWaalsContact C-N 3.33Å; P324-N326 VanDerWaalsContact CB-OD1 3.31Å; P324-N326 WeakPolarHBondContact CB-OD1 3.41Å; P324-N326 WeakPolarHBondContact CG-OD1 3.45Å; P324-N326 PolarHBondContact O-N 3.01Å; P324-A327 HydrophobicContact CG-CB 3.83Å; P324-A327 WeakPolarHBondContact O-CB 3.32Å; P324-A327 PolarHBondContact O-N 3.16Å; P324-K328 PolarHBondContact O-N 3.02Å; P324-K328 VanDerWaalsContact O-N 3.12Å
325G95.9Very high94.6Very high47 Ų4792 Ų9249%0.48548%0.476SS..Hα-helixtrans-56.3-44.4-172.200000113.4A327 K328 D329G325-A327 VanDerWaalsContact C-N 3.33Å; G325-A327 PolarHBondContact O-N 2.96Å; G325-K328 WeakPolarHBondContact O-CB 3.25Å; G325-K328 PolarHBondContact O-N 3.06Å; G325-K328 VanDerWaalsContact O-N 3.11Å; G325-D329 PolarHBondContact O-N 3.47Å
326N95.8Very high94.1Very high114 Ų11497.7 Ų97.761%0.6151%0.513SS*.Hα-helixtrans-57.3-41.5175.662.1-17.5000113P324 D329 V330P324-N326 VanDerWaalsContact C-N 3.33Å; P324-N326 VanDerWaalsContact CB-OD1 3.31Å; P324-N326 WeakPolarHBondContact CB-OD1 3.41Å; P324-N326 WeakPolarHBondContact CG-OD1 3.45Å; P324-N326 PolarHBondContact O-N 3.01Å; N326-D329 PolarHBondContact O-N 2.89Å; N326-V330 WeakPolarHBondContact O-CG2 3.22Å; N326-V330 PolarHBondContact O-N 2.84Å; N326-V330 VanDerWaalsContact O-N 3.12Å
327A93.7Very high93.1Very high31 Ų31104.5 Ų104.526%0.25656%0.557SS.*Hα-helixtrans-66.9-39177.200000111.3P324 G325 D329 V330 L331P324-A327 HydrophobicContact CG-CB 3.83Å; P324-A327 WeakPolarHBondContact O-CB 3.32Å; P324-A327 PolarHBondContact O-N 3.16Å; G325-A327 VanDerWaalsContact C-N 3.33Å; G325-A327 PolarHBondContact O-N 2.96Å; A327-D329 VanDerWaalsContact C-N 3.32Å; A327-D329 PolarHBondContact O-N 3.25Å; A327-V330 PolarHBondContact O-N 2.87Å; A327-L331 VanDerWaalsContact O-CG 3.27Å; A327-L331 WeakPolarHBondContact O-CG 3.39Å; A327-L331 PolarHBondContact O-N 3.31Å
328K94.2Very high93Very high108 Ų108109.2 Ų109.247%0.4758%0.581SS.*Hα-helixtrans-61.7-40.9175-67.5179.3176.3174.30111.6L323 P324 G325 L331 K332L323-K328 HydrophobicContact CB-CG 3.93Å; L323-K328 VanDerWaalsContact O-CE 3.23Å; L323-K328 WeakPolarHBondContact O-CE 3.29Å; P324-K328 PolarHBondContact O-N 3.02Å; P324-K328 VanDerWaalsContact O-N 3.12Å; G325-K328 WeakPolarHBondContact O-CB 3.25Å; G325-K328 PolarHBondContact O-N 3.06Å; G325-K328 VanDerWaalsContact O-N 3.11Å; K328-L331 PolarHBondContact O-N 2.95Å; K328-K332 WeakPolarHBondContact O-CG 3.3Å; K328-K332 PolarHBondContact O-N 3.02Å
329D94.8Very high92.8Very high79 Ų79110.9 Ų110.942%0.42259%0.591SS.*Hα-helixtrans-66.8-38.2178.7-65.3-30.6000112.4G325 N326 A327 K332 R333G325-D329 PolarHBondContact O-N 3.47Å; N326-D329 PolarHBondContact O-N 2.89Å; A327-D329 VanDerWaalsContact C-N 3.32Å; A327-D329 PolarHBondContact O-N 3.25Å; D329-K332 IonicContact OD1-NZ 3.88Å; D329-R333 WeakPolarHBondContact O-CG 3.43Å; D329-R333 PolarHBondContact O-N 3.24Å
330V94.9Very high92.6Very high79 Ų79109.7 Ų109.748%0.47959%0.591SS.*Hα-helixtrans-63.8-45.7172.3174.60000110.8N326 A327 K332 R333 H334N326-V330 WeakPolarHBondContact O-CG2 3.22Å; N326-V330 PolarHBondContact O-N 2.84Å; N326-V330 VanDerWaalsContact O-N 3.12Å; A327-V330 PolarHBondContact O-N 2.87Å; V330-K332 PolarHBondContact O-N 2.86Å; V330-R333 PolarHBondContact O-N 2.94Å; V330-R333 VanDerWaalsContact O-N 3.16Å; V330-H334 PolarHBondContact O-CD2 2.82Å; V330-H334 VanDerWaalsContact O-CD2 3.24Å; V330-H334 PolarHBondContact O-N 3.16Å
331L93.1Very high92.6Very high62 Ų62112.6 Ų112.633%0.32560%0.603SS.*Hα-helixtrans-63.2-41179.5-69.5171000112.2L323 A327 K328 R333 H334 L335L323-L331 HydrophobicContact CD1-CD1 3.84Å; A327-L331 VanDerWaalsContact O-CG 3.27Å; A327-L331 WeakPolarHBondContact O-CG 3.39Å; A327-L331 PolarHBondContact O-N 3.31Å; K328-L331 PolarHBondContact O-N 2.95Å; L331-R333 PolarHBondContact O-N 2.94Å; L331-H334 PolarHBondContact O-N 2.58Å; L331-L335 HydrophobicContact CB-CD1 4.12Å; L331-L335 HydrophobicContact CB-CG 4.47Å; L331-L335 HydrophobicContact CD2-CD1 4.07Å; L331-L335 HydrophobicContact CD2-CG 4.33Å; L331-L335 WeakPolarHBondContact O-CB 3.25Å; L331-L335 WeakPolarHBondContact O-CG 3.36Å; L331-L335 PolarHBondContact O-N 3.48Å
332K92.6Very high92.4Very high160 Ų160107.3 Ų107.370%0.69658%0.583SS**Hα-helixtrans-58.1-30.7174.9-77174.2-176.5172.20113.4K328 D329 V330K328-K332 WeakPolarHBondContact O-CG 3.3Å; K328-K332 PolarHBondContact O-N 3.02Å; D329-K332 IonicContact OD1-NZ 3.88Å; V330-K332 PolarHBondContact O-N 2.86Å
333R94.4Very high92.3Very high206 Ų206106.3 Ų106.378%0.77757%0.572SS**Hα-helixtrans-78.9-26-179.9-69.9173.6-176.3-174.31.4113.3D329 V330 L331D329-R333 WeakPolarHBondContact O-CG 3.43Å; D329-R333 PolarHBondContact O-N 3.24Å; V330-R333 PolarHBondContact O-N 2.94Å; V330-R333 VanDerWaalsContact O-N 3.16Å; L331-R333 PolarHBondContact O-N 2.94Å
334H91.8Very high92.1Very high152 Ų152109.4 Ų109.470%0.70459%0.589SS**Hα-helixtrans-115.9-24.5-169.1-68.2-63.1000114.6V330 L331V330-H334 PolarHBondContact O-CD2 2.82Å; V330-H334 VanDerWaalsContact O-CD2 3.24Å; V330-H334 PolarHBondContact O-N 3.16Å; L331-H334 PolarHBondContact O-N 2.58Å
335L91Very high91.9Very high83 Ų83111.7 Ų111.744%0.43560%0.595SS.*SBendtrans-82.9141.7176.5-65.5-177.6000110.7L263 L331L263-L335 HydrophobicContact CD1-CD2 4.22Å; L331-L335 HydrophobicContact CB-CD1 4.12Å; L331-L335 HydrophobicContact CB-CG 4.47Å; L331-L335 HydrophobicContact CD2-CD1 4.07Å; L331-L335 HydrophobicContact CD2-CG 4.33Å; L331-L335 WeakPolarHBondContact O-CB 3.25Å; L331-L335 WeakPolarHBondContact O-CG 3.36Å; L331-L335 PolarHBondContact O-N 3.48Å
336P86.7Confident91.5Very high120 Ų120117.1 Ų117.178%0.77960%0.604SS**  trans-65.8144.6175.228.3-33.6000110.8
337T75.5Confident91.1Very high211 Ų211117.4 Ų117.4100%1.29460%0.603SS**  trans-69.80173.2410000113.5

Retrieved 337 of 337 residues in 99 ms (Link to these results)

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